USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 755 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 29 TYR OH : rot 30:sc= 0.782 USER MOD Set 1.2: A 97 THR OG1 : rot -124:sc= 0.614 USER MOD Set 2.1: A 28 GLN : amide:sc= 0.785 K(o=0.79,f=-0.48) USER MOD Set 2.2: A 30 LYS NZ :NH3+ -167:sc= 0.00666 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.943 K(o=0.94,f=-5.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.125 USER MOD Single : A 47 ASN : amide:sc= -0.005 K(o=-0.005,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 54 SER OG : rot 180:sc= 0.117 USER MOD Single : A 57 CYS SG : rot -170:sc= -0.276 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0738 X(o=-0.074,f=-0.0014) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0011 USER MOD Single : A 77 SER OG : rot 92:sc= 0.936 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -1.73 F(o=-2.3,f=-1.7) USER MOD Single : A 81 THR OG1 : rot 88:sc=0.000308 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.0715 USER MOD Single : A 89 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-8.2!) USER MOD Single : A 90 GLN : amide:sc= -0.0717 X(o=-0.072,f=-0.072) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N LEU A 13 -6.431 -4.993 3.176 1.00 22.14 N ATOM 139 CA LEU A 13 -5.468 -4.995 4.271 1.00 42.34 C ATOM 140 C LEU A 13 -5.009 -6.414 4.591 1.00 21.43 C ATOM 141 O LEU A 13 -3.816 -6.670 4.756 1.00 4.21 O ATOM 142 CB LEU A 13 -6.081 -4.353 5.517 1.00 15.32 C ATOM 143 CG LEU A 13 -5.096 -3.929 6.608 1.00 12.35 C ATOM 144 CD1 LEU A 13 -3.993 -3.059 6.022 1.00 62.13 C ATOM 145 CD2 LEU A 13 -5.822 -3.193 7.724 1.00 51.12 C ATOM 0 HA LEU A 13 -4.600 -4.414 3.959 1.00 42.34 H new ATOM 0 HB2 LEU A 13 -6.649 -3.476 5.207 1.00 15.32 H new ATOM 0 HB3 LEU A 13 -6.792 -5.056 5.951 1.00 15.32 H new ATOM 0 HG LEU A 13 -4.639 -4.825 7.028 1.00 12.35 H new ATOM 0 HD11 LEU A 13 -3.302 -2.767 6.812 1.00 62.13 H new ATOM 0 HD12 LEU A 13 -3.455 -3.620 5.258 1.00 62.13 H new ATOM 0 HD13 LEU A 13 -4.432 -2.167 5.576 1.00 62.13 H new ATOM 0 HD21 LEU A 13 -5.106 -2.899 8.492 1.00 51.12 H new ATOM 0 HD22 LEU A 13 -6.306 -2.304 7.319 1.00 51.12 H new ATOM 0 HD23 LEU A 13 -6.575 -3.848 8.162 1.00 51.12 H new ATOM 157 N ASP A 14 -5.964 -7.333 4.675 1.00 65.45 N ATOM 158 CA ASP A 14 -5.658 -8.729 4.971 1.00 41.21 C ATOM 159 C ASP A 14 -4.765 -9.330 3.891 1.00 64.04 C ATOM 160 O ASP A 14 -3.825 -10.068 4.188 1.00 32.25 O ATOM 161 CB ASP A 14 -6.949 -9.540 5.094 1.00 71.34 C ATOM 162 CG ASP A 14 -7.246 -9.941 6.526 1.00 62.42 C ATOM 163 OD1 ASP A 14 -7.683 -9.071 7.307 1.00 43.52 O ATOM 164 OD2 ASP A 14 -7.040 -11.126 6.867 1.00 11.04 O ATOM 0 H ASP A 14 -6.956 -7.138 4.543 1.00 65.45 H new ATOM 0 HA ASP A 14 -5.123 -8.766 5.920 1.00 41.21 H new ATOM 0 HB2 ASP A 14 -7.781 -8.954 4.704 1.00 71.34 H new ATOM 0 HB3 ASP A 14 -6.872 -10.435 4.477 1.00 71.34 H new ATOM 169 N LYS A 15 -5.065 -9.011 2.636 1.00 65.32 N ATOM 170 CA LYS A 15 -4.291 -9.520 1.510 1.00 44.12 C ATOM 171 C LYS A 15 -2.893 -8.909 1.492 1.00 4.52 C ATOM 172 O LYS A 15 -1.913 -9.589 1.191 1.00 14.32 O ATOM 173 CB LYS A 15 -5.009 -9.218 0.194 1.00 34.42 C ATOM 174 CG LYS A 15 -5.705 -10.425 -0.410 1.00 44.21 C ATOM 175 CD LYS A 15 -6.924 -10.830 0.403 1.00 33.03 C ATOM 176 CE LYS A 15 -6.705 -12.159 1.110 1.00 51.35 C ATOM 177 NZ LYS A 15 -7.317 -13.292 0.363 1.00 71.33 N ATOM 0 H LYS A 15 -5.840 -8.402 2.373 1.00 65.32 H new ATOM 0 HA LYS A 15 -4.195 -10.600 1.624 1.00 44.12 H new ATOM 0 HB2 LYS A 15 -5.745 -8.432 0.363 1.00 34.42 H new ATOM 0 HB3 LYS A 15 -4.286 -8.829 -0.523 1.00 34.42 H new ATOM 0 HG2 LYS A 15 -6.007 -10.198 -1.432 1.00 44.21 H new ATOM 0 HG3 LYS A 15 -5.007 -11.261 -0.462 1.00 44.21 H new ATOM 0 HD2 LYS A 15 -7.145 -10.057 1.139 1.00 33.03 H new ATOM 0 HD3 LYS A 15 -7.792 -10.904 -0.252 1.00 33.03 H new ATOM 0 HE2 LYS A 15 -5.636 -12.336 1.227 1.00 51.35 H new ATOM 0 HE3 LYS A 15 -7.132 -12.112 2.112 1.00 51.35 H new ATOM 0 HZ1 LYS A 15 -7.146 -14.180 0.877 1.00 71.33 H new ATOM 0 HZ2 LYS A 15 -8.341 -13.136 0.273 1.00 71.33 H new ATOM 0 HZ3 LYS A 15 -6.892 -13.353 -0.584 1.00 71.33 H new ATOM 191 N TRP A 16 -2.811 -7.623 1.816 1.00 3.03 N ATOM 192 CA TRP A 16 -1.533 -6.922 1.837 1.00 52.34 C ATOM 193 C TRP A 16 -0.529 -7.645 2.728 1.00 34.51 C ATOM 194 O TRP A 16 0.631 -7.819 2.357 1.00 31.13 O ATOM 195 CB TRP A 16 -1.724 -5.485 2.326 1.00 71.31 C ATOM 196 CG TRP A 16 -0.438 -4.726 2.457 1.00 42.12 C ATOM 197 CD1 TRP A 16 0.250 -4.473 3.608 1.00 54.24 C ATOM 198 CD2 TRP A 16 0.310 -4.119 1.398 1.00 13.12 C ATOM 199 NE1 TRP A 16 1.382 -3.746 3.329 1.00 54.21 N ATOM 200 CE2 TRP A 16 1.443 -3.517 1.980 1.00 44.34 C ATOM 201 CE3 TRP A 16 0.135 -4.028 0.014 1.00 61.23 C ATOM 202 CZ2 TRP A 16 2.392 -2.833 1.225 1.00 41.54 C ATOM 203 CZ3 TRP A 16 1.078 -3.348 -0.733 1.00 2.11 C ATOM 204 CH2 TRP A 16 2.195 -2.759 -0.127 1.00 43.11 C ATOM 0 H TRP A 16 -3.614 -7.046 2.067 1.00 3.03 H new ATOM 0 HA TRP A 16 -1.141 -6.904 0.820 1.00 52.34 H new ATOM 0 HB2 TRP A 16 -2.380 -4.957 1.634 1.00 71.31 H new ATOM 0 HB3 TRP A 16 -2.228 -5.502 3.292 1.00 71.31 H new ATOM 0 HD1 TRP A 16 -0.051 -4.797 4.593 1.00 54.24 H new ATOM 0 HE1 TRP A 16 2.066 -3.428 4.015 1.00 54.21 H new ATOM 0 HE3 TRP A 16 -0.722 -4.481 -0.463 1.00 61.23 H new ATOM 0 HZ2 TRP A 16 3.253 -2.377 1.690 1.00 41.54 H new ATOM 0 HZ3 TRP A 16 0.952 -3.269 -1.803 1.00 2.11 H new ATOM 0 HH2 TRP A 16 2.915 -2.236 -0.739 1.00 43.11 H new ATOM 215 N GLU A 17 -0.984 -8.066 3.904 1.00 54.03 N ATOM 216 CA GLU A 17 -0.123 -8.771 4.847 1.00 43.43 C ATOM 217 C GLU A 17 0.068 -10.225 4.427 1.00 74.33 C ATOM 218 O GLU A 17 0.939 -10.924 4.945 1.00 72.22 O ATOM 219 CB GLU A 17 -0.717 -8.710 6.257 1.00 12.13 C ATOM 220 CG GLU A 17 -0.486 -7.381 6.957 1.00 72.43 C ATOM 221 CD GLU A 17 -0.791 -7.443 8.441 1.00 24.23 C ATOM 222 OE1 GLU A 17 -1.551 -8.344 8.854 1.00 41.30 O ATOM 223 OE2 GLU A 17 -0.270 -6.591 9.189 1.00 53.43 O ATOM 0 H GLU A 17 -1.942 -7.931 4.226 1.00 54.03 H new ATOM 0 HA GLU A 17 0.850 -8.280 4.848 1.00 43.43 H new ATOM 0 HB2 GLU A 17 -1.789 -8.899 6.199 1.00 12.13 H new ATOM 0 HB3 GLU A 17 -0.284 -9.509 6.859 1.00 12.13 H new ATOM 0 HG2 GLU A 17 0.551 -7.075 6.815 1.00 72.43 H new ATOM 0 HG3 GLU A 17 -1.110 -6.617 6.493 1.00 72.43 H new ATOM 230 N LYS A 18 -0.753 -10.675 3.485 1.00 63.31 N ATOM 231 CA LYS A 18 -0.676 -12.046 2.993 1.00 34.05 C ATOM 232 C LYS A 18 0.317 -12.155 1.839 1.00 53.22 C ATOM 233 O LYS A 18 0.690 -13.255 1.432 1.00 13.41 O ATOM 234 CB LYS A 18 -2.056 -12.525 2.537 1.00 62.03 C ATOM 235 CG LYS A 18 -2.081 -13.978 2.096 1.00 74.42 C ATOM 236 CD LYS A 18 -3.377 -14.661 2.496 1.00 23.11 C ATOM 237 CE LYS A 18 -3.531 -16.010 1.811 1.00 65.34 C ATOM 238 NZ LYS A 18 -4.102 -15.875 0.442 1.00 42.42 N ATOM 0 H LYS A 18 -1.480 -10.110 3.046 1.00 63.31 H new ATOM 0 HA LYS A 18 -0.330 -12.679 3.810 1.00 34.05 H new ATOM 0 HB2 LYS A 18 -2.766 -12.390 3.353 1.00 62.03 H new ATOM 0 HB3 LYS A 18 -2.395 -11.898 1.712 1.00 62.03 H new ATOM 0 HG2 LYS A 18 -1.959 -14.033 1.014 1.00 74.42 H new ATOM 0 HG3 LYS A 18 -1.238 -14.508 2.539 1.00 74.42 H new ATOM 0 HD2 LYS A 18 -3.399 -14.796 3.577 1.00 23.11 H new ATOM 0 HD3 LYS A 18 -4.221 -14.022 2.237 1.00 23.11 H new ATOM 0 HE2 LYS A 18 -2.559 -16.501 1.752 1.00 65.34 H new ATOM 0 HE3 LYS A 18 -4.176 -16.651 2.412 1.00 65.34 H new ATOM 0 HZ1 LYS A 18 -4.191 -16.816 0.009 1.00 42.42 H new ATOM 0 HZ2 LYS A 18 -5.040 -15.430 0.500 1.00 42.42 H new ATOM 0 HZ3 LYS A 18 -3.474 -15.284 -0.139 1.00 42.42 H new ATOM 252 N ILE A 19 0.741 -11.007 1.320 1.00 34.51 N ATOM 253 CA ILE A 19 1.692 -10.974 0.215 1.00 74.54 C ATOM 254 C ILE A 19 3.124 -11.134 0.719 1.00 4.42 C ATOM 255 O ILE A 19 3.526 -10.491 1.689 1.00 72.11 O ATOM 256 CB ILE A 19 1.583 -9.663 -0.583 1.00 14.03 C ATOM 257 CG1 ILE A 19 0.183 -9.521 -1.183 1.00 32.13 C ATOM 258 CG2 ILE A 19 2.640 -9.619 -1.677 1.00 70.23 C ATOM 259 CD1 ILE A 19 -0.288 -8.087 -1.286 1.00 34.11 C ATOM 0 H ILE A 19 0.441 -10.088 1.647 1.00 34.51 H new ATOM 0 HA ILE A 19 1.444 -11.809 -0.441 1.00 74.54 H new ATOM 0 HB ILE A 19 1.754 -8.827 0.095 1.00 14.03 H new ATOM 0 HG12 ILE A 19 0.175 -9.970 -2.176 1.00 32.13 H new ATOM 0 HG13 ILE A 19 -0.524 -10.084 -0.573 1.00 32.13 H new ATOM 0 HG21 ILE A 19 2.550 -8.686 -2.233 1.00 70.23 H new ATOM 0 HG22 ILE A 19 3.631 -9.680 -1.228 1.00 70.23 H new ATOM 0 HG23 ILE A 19 2.497 -10.460 -2.355 1.00 70.23 H new ATOM 0 HD11 ILE A 19 -1.288 -8.063 -1.720 1.00 34.11 H new ATOM 0 HD12 ILE A 19 -0.313 -7.640 -0.292 1.00 34.11 H new ATOM 0 HD13 ILE A 19 0.397 -7.524 -1.920 1.00 34.11 H new ATOM 271 N ARG A 20 3.888 -11.991 0.051 1.00 1.44 N ATOM 272 CA ARG A 20 5.274 -12.234 0.429 1.00 54.03 C ATOM 273 C ARG A 20 6.178 -11.109 -0.068 1.00 61.20 C ATOM 274 O ARG A 20 5.753 -10.254 -0.846 1.00 43.44 O ATOM 275 CB ARG A 20 5.753 -13.573 -0.135 1.00 40.35 C ATOM 276 CG ARG A 20 5.336 -14.770 0.705 1.00 34.41 C ATOM 277 CD ARG A 20 4.825 -15.908 -0.163 1.00 65.33 C ATOM 278 NE ARG A 20 4.994 -17.208 0.483 1.00 15.44 N ATOM 279 CZ ARG A 20 4.298 -17.597 1.544 1.00 53.24 C ATOM 280 NH1 ARG A 20 3.391 -16.791 2.078 1.00 62.30 N ATOM 281 NH2 ARG A 20 4.510 -18.794 2.075 1.00 63.13 N ATOM 0 H ARG A 20 3.570 -12.529 -0.755 1.00 1.44 H new ATOM 0 HA ARG A 20 5.326 -12.267 1.517 1.00 54.03 H new ATOM 0 HB2 ARG A 20 5.361 -13.694 -1.145 1.00 40.35 H new ATOM 0 HB3 ARG A 20 6.840 -13.556 -0.215 1.00 40.35 H new ATOM 0 HG2 ARG A 20 6.185 -15.114 1.296 1.00 34.41 H new ATOM 0 HG3 ARG A 20 4.559 -14.470 1.408 1.00 34.41 H new ATOM 0 HD2 ARG A 20 3.770 -15.748 -0.386 1.00 65.33 H new ATOM 0 HD3 ARG A 20 5.356 -15.904 -1.115 1.00 65.33 H new ATOM 0 HE ARG A 20 5.685 -17.852 0.097 1.00 15.44 H new ATOM 0 HH11 ARG A 20 3.227 -15.869 1.673 1.00 62.30 H new ATOM 0 HH12 ARG A 20 2.858 -17.093 2.893 1.00 62.30 H new ATOM 0 HH21 ARG A 20 5.208 -19.416 1.668 1.00 63.13 H new ATOM 0 HH22 ARG A 20 3.975 -19.092 2.890 1.00 63.13 H new ATOM 295 N LEU A 21 7.427 -11.116 0.384 1.00 63.54 N ATOM 296 CA LEU A 21 8.391 -10.097 -0.013 1.00 13.04 C ATOM 297 C LEU A 21 9.366 -10.645 -1.051 1.00 20.12 C ATOM 298 O LEU A 21 9.644 -9.997 -2.060 1.00 53.21 O ATOM 299 CB LEU A 21 9.160 -9.590 1.208 1.00 33.32 C ATOM 300 CG LEU A 21 8.313 -9.177 2.411 1.00 21.13 C ATOM 301 CD1 LEU A 21 9.201 -8.772 3.577 1.00 13.10 C ATOM 302 CD2 LEU A 21 7.371 -8.042 2.035 1.00 55.33 C ATOM 0 H LEU A 21 7.796 -11.817 1.026 1.00 63.54 H new ATOM 0 HA LEU A 21 7.842 -9.267 -0.459 1.00 13.04 H new ATOM 0 HB2 LEU A 21 9.851 -10.370 1.527 1.00 33.32 H new ATOM 0 HB3 LEU A 21 9.763 -8.735 0.903 1.00 33.32 H new ATOM 0 HG LEU A 21 7.713 -10.033 2.720 1.00 21.13 H new ATOM 0 HD11 LEU A 21 8.579 -8.481 4.424 1.00 13.10 H new ATOM 0 HD12 LEU A 21 9.833 -9.613 3.862 1.00 13.10 H new ATOM 0 HD13 LEU A 21 9.828 -7.931 3.282 1.00 13.10 H new ATOM 0 HD21 LEU A 21 6.775 -7.761 2.903 1.00 55.33 H new ATOM 0 HD22 LEU A 21 7.952 -7.183 1.700 1.00 55.33 H new ATOM 0 HD23 LEU A 21 6.710 -8.369 1.232 1.00 55.33 H new ATOM 314 N ARG A 22 9.880 -11.844 -0.797 1.00 54.04 N ATOM 315 CA ARG A 22 10.823 -12.480 -1.709 1.00 11.50 C ATOM 316 C ARG A 22 10.165 -13.642 -2.448 1.00 41.31 C ATOM 317 O ARG A 22 9.081 -14.104 -2.089 1.00 35.02 O ATOM 318 CB ARG A 22 12.050 -12.977 -0.943 1.00 31.40 C ATOM 319 CG ARG A 22 13.268 -12.080 -1.094 1.00 31.13 C ATOM 320 CD ARG A 22 14.539 -12.789 -0.658 1.00 75.25 C ATOM 321 NE ARG A 22 14.781 -12.648 0.776 1.00 32.13 N ATOM 322 CZ ARG A 22 15.685 -13.356 1.443 1.00 55.20 C ATOM 323 NH1 ARG A 22 16.430 -14.250 0.808 1.00 54.02 N ATOM 324 NH2 ARG A 22 15.846 -13.170 2.746 1.00 60.23 N ATOM 0 H ARG A 22 9.659 -12.394 0.033 1.00 54.04 H new ATOM 0 HA ARG A 22 11.138 -11.738 -2.442 1.00 11.50 H new ATOM 0 HB2 ARG A 22 11.799 -13.059 0.114 1.00 31.40 H new ATOM 0 HB3 ARG A 22 12.302 -13.979 -1.289 1.00 31.40 H new ATOM 0 HG2 ARG A 22 13.363 -11.766 -2.133 1.00 31.13 H new ATOM 0 HG3 ARG A 22 13.132 -11.177 -0.500 1.00 31.13 H new ATOM 0 HD2 ARG A 22 14.469 -13.847 -0.911 1.00 75.25 H new ATOM 0 HD3 ARG A 22 15.387 -12.384 -1.210 1.00 75.25 H new ATOM 0 HE ARG A 22 14.224 -11.968 1.294 1.00 32.13 H new ATOM 0 HH11 ARG A 22 16.309 -14.395 -0.194 1.00 54.02 H new ATOM 0 HH12 ARG A 22 17.124 -14.793 1.322 1.00 54.02 H new ATOM 0 HH21 ARG A 22 15.275 -12.482 3.237 1.00 60.23 H new ATOM 0 HH22 ARG A 22 16.541 -13.715 3.257 1.00 60.23 H new ATOM 338 N PRO A 23 10.834 -14.127 -3.505 1.00 42.14 N ATOM 339 CA PRO A 23 10.334 -15.240 -4.316 1.00 71.53 C ATOM 340 C PRO A 23 10.367 -16.566 -3.563 1.00 63.51 C ATOM 341 O PRO A 23 9.363 -17.273 -3.487 1.00 21.04 O ATOM 342 CB PRO A 23 11.298 -15.276 -5.503 1.00 21.01 C ATOM 343 CG PRO A 23 12.556 -14.665 -4.989 1.00 2.42 C ATOM 344 CD PRO A 23 12.131 -13.625 -3.989 1.00 42.10 C ATOM 0 HA PRO A 23 9.291 -15.100 -4.601 1.00 71.53 H new ATOM 0 HB2 PRO A 23 11.465 -16.297 -5.846 1.00 21.01 H new ATOM 0 HB3 PRO A 23 10.903 -14.716 -6.351 1.00 21.01 H new ATOM 0 HG2 PRO A 23 13.193 -15.417 -4.524 1.00 2.42 H new ATOM 0 HG3 PRO A 23 13.131 -14.216 -5.799 1.00 2.42 H new ATOM 0 HD2 PRO A 23 12.853 -13.529 -3.178 1.00 42.10 H new ATOM 0 HD3 PRO A 23 12.035 -12.641 -4.448 1.00 42.10 H new ATOM 352 N GLY A 24 11.528 -16.898 -3.007 1.00 54.41 N ATOM 353 CA GLY A 24 11.670 -18.137 -2.267 1.00 64.35 C ATOM 354 C GLY A 24 11.542 -17.938 -0.770 1.00 45.22 C ATOM 355 O GLY A 24 11.251 -18.879 -0.033 1.00 53.33 O ATOM 0 H GLY A 24 12.374 -16.330 -3.056 1.00 54.41 H new ATOM 0 HA2 GLY A 24 10.912 -18.845 -2.602 1.00 64.35 H new ATOM 0 HA3 GLY A 24 12.641 -18.580 -2.490 1.00 64.35 H new ATOM 359 N GLY A 25 11.761 -16.706 -0.318 1.00 74.41 N ATOM 360 CA GLY A 25 11.666 -16.409 1.099 1.00 3.00 C ATOM 361 C GLY A 25 10.291 -16.710 1.664 1.00 72.05 C ATOM 362 O GLY A 25 9.457 -17.321 0.995 1.00 41.25 O ATOM 0 H GLY A 25 12.002 -15.910 -0.908 1.00 74.41 H new ATOM 0 HA2 GLY A 25 12.413 -16.990 1.640 1.00 3.00 H new ATOM 0 HA3 GLY A 25 11.901 -15.357 1.263 1.00 3.00 H new ATOM 366 N LYS A 26 10.055 -16.281 2.899 1.00 65.41 N ATOM 367 CA LYS A 26 8.772 -16.509 3.555 1.00 53.32 C ATOM 368 C LYS A 26 8.289 -15.244 4.258 1.00 72.21 C ATOM 369 O LYS A 26 7.320 -15.275 5.016 1.00 4.20 O ATOM 370 CB LYS A 26 8.888 -17.653 4.565 1.00 31.24 C ATOM 371 CG LYS A 26 8.894 -19.031 3.925 1.00 12.04 C ATOM 372 CD LYS A 26 8.143 -20.043 4.773 1.00 63.21 C ATOM 373 CE LYS A 26 7.014 -20.697 3.992 1.00 45.14 C ATOM 374 NZ LYS A 26 6.841 -22.129 4.360 1.00 65.23 N ATOM 0 H LYS A 26 10.735 -15.774 3.466 1.00 65.41 H new ATOM 0 HA LYS A 26 8.044 -16.780 2.790 1.00 53.32 H new ATOM 0 HB2 LYS A 26 9.804 -17.526 5.142 1.00 31.24 H new ATOM 0 HB3 LYS A 26 8.057 -17.592 5.268 1.00 31.24 H new ATOM 0 HG2 LYS A 26 8.440 -18.976 2.936 1.00 12.04 H new ATOM 0 HG3 LYS A 26 9.923 -19.364 3.785 1.00 12.04 H new ATOM 0 HD2 LYS A 26 8.834 -20.809 5.125 1.00 63.21 H new ATOM 0 HD3 LYS A 26 7.737 -19.549 5.656 1.00 63.21 H new ATOM 0 HE2 LYS A 26 6.084 -20.159 4.179 1.00 45.14 H new ATOM 0 HE3 LYS A 26 7.218 -20.619 2.924 1.00 45.14 H new ATOM 0 HZ1 LYS A 26 6.062 -22.538 3.806 1.00 65.23 H new ATOM 0 HZ2 LYS A 26 7.719 -22.648 4.158 1.00 65.23 H new ATOM 0 HZ3 LYS A 26 6.621 -22.203 5.374 1.00 65.23 H new ATOM 388 N LYS A 27 8.970 -14.133 4.000 1.00 10.53 N ATOM 389 CA LYS A 27 8.610 -12.856 4.605 1.00 3.02 C ATOM 390 C LYS A 27 7.368 -12.270 3.939 1.00 34.25 C ATOM 391 O LYS A 27 7.148 -12.459 2.743 1.00 75.01 O ATOM 392 CB LYS A 27 9.774 -11.870 4.497 1.00 2.41 C ATOM 393 CG LYS A 27 11.103 -12.445 4.955 1.00 33.43 C ATOM 394 CD LYS A 27 11.103 -12.727 6.448 1.00 32.44 C ATOM 395 CE LYS A 27 12.512 -12.692 7.021 1.00 4.20 C ATOM 396 NZ LYS A 27 12.837 -13.936 7.772 1.00 5.01 N ATOM 0 H LYS A 27 9.775 -14.091 3.375 1.00 10.53 H new ATOM 0 HA LYS A 27 8.388 -13.031 5.658 1.00 3.02 H new ATOM 0 HB2 LYS A 27 9.867 -11.543 3.461 1.00 2.41 H new ATOM 0 HB3 LYS A 27 9.546 -10.985 5.092 1.00 2.41 H new ATOM 0 HG2 LYS A 27 11.309 -13.366 4.410 1.00 33.43 H new ATOM 0 HG3 LYS A 27 11.905 -11.746 4.716 1.00 33.43 H new ATOM 0 HD2 LYS A 27 10.483 -11.990 6.959 1.00 32.44 H new ATOM 0 HD3 LYS A 27 10.657 -13.704 6.635 1.00 32.44 H new ATOM 0 HE2 LYS A 27 13.230 -12.559 6.212 1.00 4.20 H new ATOM 0 HE3 LYS A 27 12.614 -11.832 7.682 1.00 4.20 H new ATOM 0 HZ1 LYS A 27 13.805 -13.873 8.146 1.00 5.01 H new ATOM 0 HZ2 LYS A 27 12.168 -14.051 8.560 1.00 5.01 H new ATOM 0 HZ3 LYS A 27 12.765 -14.755 7.135 1.00 5.01 H new ATOM 410 N GLN A 28 6.564 -11.557 4.721 1.00 3.34 N ATOM 411 CA GLN A 28 5.346 -10.943 4.204 1.00 54.33 C ATOM 412 C GLN A 28 5.436 -9.422 4.265 1.00 44.34 C ATOM 413 O GLN A 28 6.461 -8.865 4.662 1.00 24.43 O ATOM 414 CB GLN A 28 4.130 -11.426 4.996 1.00 54.14 C ATOM 415 CG GLN A 28 4.138 -12.922 5.271 1.00 43.52 C ATOM 416 CD GLN A 28 4.614 -13.255 6.671 1.00 22.31 C ATOM 417 OE1 GLN A 28 4.218 -12.613 7.643 1.00 41.14 O ATOM 418 NE2 GLN A 28 5.468 -14.267 6.781 1.00 14.13 N ATOM 0 H GLN A 28 6.733 -11.390 5.713 1.00 3.34 H new ATOM 0 HA GLN A 28 5.233 -11.241 3.162 1.00 54.33 H new ATOM 0 HB2 GLN A 28 4.089 -10.891 5.945 1.00 54.14 H new ATOM 0 HB3 GLN A 28 3.224 -11.171 4.446 1.00 54.14 H new ATOM 0 HG2 GLN A 28 3.133 -13.319 5.129 1.00 43.52 H new ATOM 0 HG3 GLN A 28 4.782 -13.418 4.545 1.00 43.52 H new ATOM 0 HE21 GLN A 28 5.770 -14.772 5.948 1.00 14.13 H new ATOM 0 HE22 GLN A 28 5.821 -14.539 7.698 1.00 14.13 H new ATOM 427 N TYR A 29 4.358 -8.754 3.870 1.00 70.12 N ATOM 428 CA TYR A 29 4.316 -7.296 3.878 1.00 60.12 C ATOM 429 C TYR A 29 3.595 -6.778 5.120 1.00 34.14 C ATOM 430 O TYR A 29 2.720 -7.447 5.668 1.00 2.22 O ATOM 431 CB TYR A 29 3.620 -6.780 2.617 1.00 41.54 C ATOM 432 CG TYR A 29 4.565 -6.522 1.466 1.00 13.22 C ATOM 433 CD1 TYR A 29 5.395 -5.407 1.458 1.00 24.01 C ATOM 434 CD2 TYR A 29 4.628 -7.393 0.385 1.00 65.04 C ATOM 435 CE1 TYR A 29 6.259 -5.168 0.408 1.00 31.14 C ATOM 436 CE2 TYR A 29 5.491 -7.162 -0.668 1.00 1.13 C ATOM 437 CZ TYR A 29 6.305 -6.048 -0.653 1.00 65.44 C ATOM 438 OH TYR A 29 7.164 -5.815 -1.702 1.00 44.54 O ATOM 0 H TYR A 29 3.501 -9.199 3.540 1.00 70.12 H new ATOM 0 HA TYR A 29 5.342 -6.927 3.896 1.00 60.12 H new ATOM 0 HB2 TYR A 29 2.869 -7.506 2.304 1.00 41.54 H new ATOM 0 HB3 TYR A 29 3.091 -5.857 2.856 1.00 41.54 H new ATOM 0 HD1 TYR A 29 5.363 -4.716 2.287 1.00 24.01 H new ATOM 0 HD2 TYR A 29 3.991 -8.265 0.368 1.00 65.04 H new ATOM 0 HE1 TYR A 29 6.896 -4.296 0.417 1.00 31.14 H new ATOM 0 HE2 TYR A 29 5.529 -7.850 -1.500 1.00 1.13 H new ATOM 0 HH TYR A 29 7.954 -5.334 -1.377 1.00 44.54 H new ATOM 448 N LYS A 30 3.972 -5.581 5.556 1.00 64.24 N ATOM 449 CA LYS A 30 3.363 -4.970 6.731 1.00 53.33 C ATOM 450 C LYS A 30 3.174 -3.470 6.528 1.00 53.12 C ATOM 451 O LYS A 30 3.766 -2.876 5.625 1.00 63.24 O ATOM 452 CB LYS A 30 4.227 -5.222 7.969 1.00 70.00 C ATOM 453 CG LYS A 30 3.530 -6.041 9.042 1.00 11.03 C ATOM 454 CD LYS A 30 4.367 -7.237 9.462 1.00 61.43 C ATOM 455 CE LYS A 30 3.894 -8.514 8.785 1.00 62.33 C ATOM 456 NZ LYS A 30 4.520 -9.725 9.385 1.00 44.14 N ATOM 0 H LYS A 30 4.696 -5.015 5.113 1.00 64.24 H new ATOM 0 HA LYS A 30 2.384 -5.426 6.880 1.00 53.33 H new ATOM 0 HB2 LYS A 30 5.139 -5.737 7.666 1.00 70.00 H new ATOM 0 HB3 LYS A 30 4.527 -4.264 8.393 1.00 70.00 H new ATOM 0 HG2 LYS A 30 3.332 -5.412 9.910 1.00 11.03 H new ATOM 0 HG3 LYS A 30 2.565 -6.384 8.670 1.00 11.03 H new ATOM 0 HD2 LYS A 30 5.412 -7.057 9.211 1.00 61.43 H new ATOM 0 HD3 LYS A 30 4.315 -7.357 10.544 1.00 61.43 H new ATOM 0 HE2 LYS A 30 2.810 -8.588 8.866 1.00 62.33 H new ATOM 0 HE3 LYS A 30 4.132 -8.471 7.722 1.00 62.33 H new ATOM 0 HZ1 LYS A 30 4.351 -10.545 8.768 1.00 44.14 H new ATOM 0 HZ2 LYS A 30 5.544 -9.573 9.486 1.00 44.14 H new ATOM 0 HZ3 LYS A 30 4.103 -9.904 10.321 1.00 44.14 H new ATOM 470 N LEU A 31 2.348 -2.862 7.373 1.00 22.15 N ATOM 471 CA LEU A 31 2.081 -1.431 7.285 1.00 53.05 C ATOM 472 C LEU A 31 3.374 -0.648 7.082 1.00 53.04 C ATOM 473 O LEU A 31 3.454 0.228 6.222 1.00 11.32 O ATOM 474 CB LEU A 31 1.372 -0.946 8.551 1.00 64.33 C ATOM 475 CG LEU A 31 -0.058 -0.437 8.366 1.00 50.23 C ATOM 476 CD1 LEU A 31 -0.076 0.782 7.457 1.00 51.22 C ATOM 477 CD2 LEU A 31 -0.947 -1.537 7.805 1.00 3.52 C ATOM 0 H LEU A 31 1.852 -3.338 8.127 1.00 22.15 H new ATOM 0 HA LEU A 31 1.434 -1.259 6.425 1.00 53.05 H new ATOM 0 HB2 LEU A 31 1.355 -1.765 9.270 1.00 64.33 H new ATOM 0 HB3 LEU A 31 1.967 -0.146 8.993 1.00 64.33 H new ATOM 0 HG LEU A 31 -0.449 -0.144 9.340 1.00 50.23 H new ATOM 0 HD11 LEU A 31 -1.102 1.131 7.336 1.00 51.22 H new ATOM 0 HD12 LEU A 31 0.527 1.575 7.899 1.00 51.22 H new ATOM 0 HD13 LEU A 31 0.333 0.515 6.483 1.00 51.22 H new ATOM 0 HD21 LEU A 31 -1.961 -1.157 7.680 1.00 3.52 H new ATOM 0 HD22 LEU A 31 -0.559 -1.861 6.839 1.00 3.52 H new ATOM 0 HD23 LEU A 31 -0.959 -2.382 8.493 1.00 3.52 H new ATOM 489 N LYS A 32 4.387 -0.971 7.880 1.00 74.51 N ATOM 490 CA LYS A 32 5.679 -0.303 7.786 1.00 40.54 C ATOM 491 C LYS A 32 6.027 0.009 6.335 1.00 32.14 C ATOM 492 O LYS A 32 6.451 1.119 6.012 1.00 32.04 O ATOM 493 CB LYS A 32 6.774 -1.172 8.409 1.00 63.42 C ATOM 494 CG LYS A 32 6.806 -1.115 9.926 1.00 40.14 C ATOM 495 CD LYS A 32 8.225 -1.230 10.459 1.00 70.14 C ATOM 496 CE LYS A 32 8.305 -2.201 11.627 1.00 51.42 C ATOM 497 NZ LYS A 32 9.709 -2.418 12.073 1.00 21.54 N ATOM 0 H LYS A 32 4.337 -1.692 8.600 1.00 74.51 H new ATOM 0 HA LYS A 32 5.613 0.636 8.335 1.00 40.54 H new ATOM 0 HB2 LYS A 32 6.628 -2.206 8.096 1.00 63.42 H new ATOM 0 HB3 LYS A 32 7.742 -0.855 8.021 1.00 63.42 H new ATOM 0 HG2 LYS A 32 6.364 -0.178 10.265 1.00 40.14 H new ATOM 0 HG3 LYS A 32 6.197 -1.921 10.334 1.00 40.14 H new ATOM 0 HD2 LYS A 32 8.888 -1.564 9.661 1.00 70.14 H new ATOM 0 HD3 LYS A 32 8.576 -0.248 10.776 1.00 70.14 H new ATOM 0 HE2 LYS A 32 7.715 -1.817 12.459 1.00 51.42 H new ATOM 0 HE3 LYS A 32 7.865 -3.155 11.337 1.00 51.42 H new ATOM 0 HZ1 LYS A 32 9.721 -3.086 12.870 1.00 21.54 H new ATOM 0 HZ2 LYS A 32 10.267 -2.808 11.287 1.00 21.54 H new ATOM 0 HZ3 LYS A 32 10.122 -1.512 12.374 1.00 21.54 H new ATOM 511 N HIS A 33 5.845 -0.978 5.462 1.00 50.11 N ATOM 512 CA HIS A 33 6.138 -0.809 4.043 1.00 72.32 C ATOM 513 C HIS A 33 5.166 0.178 3.403 1.00 31.31 C ATOM 514 O HIS A 33 5.636 1.011 2.627 1.00 33.44 O ATOM 515 CB HIS A 33 6.065 -2.155 3.321 1.00 42.31 C ATOM 516 CG HIS A 33 6.900 -3.223 3.960 1.00 41.42 C ATOM 517 ND1 HIS A 33 6.362 -4.355 4.536 1.00 43.55 N ATOM 518 CD2 HIS A 33 8.240 -3.327 4.110 1.00 71.41 C ATOM 519 CE1 HIS A 33 7.336 -5.108 5.014 1.00 54.53 C ATOM 520 NE2 HIS A 33 8.486 -4.507 4.768 1.00 54.30 N ATOM 0 H HIS A 33 5.496 -1.903 5.713 1.00 50.11 H new ATOM 0 HA HIS A 33 7.148 -0.411 3.950 1.00 72.32 H new ATOM 0 HB2 HIS A 33 5.027 -2.486 3.291 1.00 42.31 H new ATOM 0 HB3 HIS A 33 6.387 -2.022 2.288 1.00 42.31 H new ATOM 0 HD2 HIS A 33 8.979 -2.615 3.775 1.00 71.41 H new ATOM 0 HE1 HIS A 33 7.213 -6.054 5.520 1.00 54.53 H new ATOM 0 HE2 HIS A 33 9.407 -4.862 5.025 1.00 54.30 H new ATOM 528 N ILE A 34 3.872 0.110 3.696 1.00 21.50 N ATOM 529 CA ILE A 34 2.908 1.032 3.109 1.00 4.20 C ATOM 530 C ILE A 34 3.267 2.480 3.427 1.00 21.43 C ATOM 531 O ILE A 34 3.471 3.292 2.525 1.00 4.24 O ATOM 532 CB ILE A 34 1.479 0.747 3.612 1.00 54.34 C ATOM 533 CG1 ILE A 34 1.106 -0.714 3.354 1.00 14.03 C ATOM 534 CG2 ILE A 34 0.485 1.681 2.938 1.00 23.44 C ATOM 535 CD1 ILE A 34 -0.220 -1.114 3.960 1.00 71.30 C ATOM 0 H ILE A 34 3.467 -0.573 4.336 1.00 21.50 H new ATOM 0 HA ILE A 34 2.943 0.880 2.030 1.00 4.20 H new ATOM 0 HB ILE A 34 1.445 0.926 4.687 1.00 54.34 H new ATOM 0 HG12 ILE A 34 1.072 -0.888 2.278 1.00 14.03 H new ATOM 0 HG13 ILE A 34 1.889 -1.357 3.756 1.00 14.03 H new ATOM 0 HG21 ILE A 34 -0.520 1.468 3.303 1.00 23.44 H new ATOM 0 HG22 ILE A 34 0.743 2.715 3.168 1.00 23.44 H new ATOM 0 HG23 ILE A 34 0.518 1.531 1.859 1.00 23.44 H new ATOM 0 HD11 ILE A 34 -0.420 -2.162 3.738 1.00 71.30 H new ATOM 0 HD12 ILE A 34 -0.184 -0.973 5.040 1.00 71.30 H new ATOM 0 HD13 ILE A 34 -1.013 -0.496 3.540 1.00 71.30 H new ATOM 547 N VAL A 35 3.346 2.795 4.716 1.00 3.41 N ATOM 548 CA VAL A 35 3.684 4.144 5.153 1.00 4.13 C ATOM 549 C VAL A 35 4.990 4.615 4.524 1.00 35.42 C ATOM 550 O VAL A 35 5.070 5.718 3.984 1.00 31.02 O ATOM 551 CB VAL A 35 3.807 4.223 6.686 1.00 35.10 C ATOM 552 CG1 VAL A 35 4.270 5.607 7.115 1.00 33.24 C ATOM 553 CG2 VAL A 35 2.484 3.866 7.346 1.00 4.31 C ATOM 0 H VAL A 35 3.181 2.134 5.475 1.00 3.41 H new ATOM 0 HA VAL A 35 2.872 4.795 4.827 1.00 4.13 H new ATOM 0 HB VAL A 35 4.555 3.500 7.010 1.00 35.10 H new ATOM 0 HG11 VAL A 35 4.351 5.643 8.201 1.00 33.24 H new ATOM 0 HG12 VAL A 35 5.243 5.819 6.671 1.00 33.24 H new ATOM 0 HG13 VAL A 35 3.548 6.352 6.780 1.00 33.24 H new ATOM 0 HG21 VAL A 35 2.590 3.927 8.429 1.00 4.31 H new ATOM 0 HG22 VAL A 35 1.713 4.563 7.017 1.00 4.31 H new ATOM 0 HG23 VAL A 35 2.200 2.852 7.066 1.00 4.31 H new ATOM 563 N TRP A 36 6.013 3.769 4.597 1.00 41.31 N ATOM 564 CA TRP A 36 7.318 4.099 4.035 1.00 21.41 C ATOM 565 C TRP A 36 7.190 4.524 2.577 1.00 33.44 C ATOM 566 O TRP A 36 7.992 5.312 2.077 1.00 52.43 O ATOM 567 CB TRP A 36 8.262 2.901 4.149 1.00 33.02 C ATOM 568 CG TRP A 36 9.604 3.141 3.526 1.00 70.51 C ATOM 569 CD1 TRP A 36 10.763 3.463 4.174 1.00 5.33 C ATOM 570 CD2 TRP A 36 9.925 3.080 2.132 1.00 33.31 C ATOM 571 NE1 TRP A 36 11.784 3.606 3.267 1.00 14.21 N ATOM 572 CE2 TRP A 36 11.297 3.375 2.007 1.00 53.35 C ATOM 573 CE3 TRP A 36 9.189 2.802 0.977 1.00 63.43 C ATOM 574 CZ2 TRP A 36 11.943 3.401 0.774 1.00 54.54 C ATOM 575 CZ3 TRP A 36 9.831 2.829 -0.245 1.00 34.22 C ATOM 576 CH2 TRP A 36 11.198 3.125 -0.339 1.00 44.51 C ATOM 0 H TRP A 36 5.964 2.851 5.039 1.00 41.31 H new ATOM 0 HA TRP A 36 7.731 4.933 4.602 1.00 21.41 H new ATOM 0 HB2 TRP A 36 8.397 2.653 5.202 1.00 33.02 H new ATOM 0 HB3 TRP A 36 7.799 2.036 3.675 1.00 33.02 H new ATOM 0 HD1 TRP A 36 10.862 3.587 5.242 1.00 5.33 H new ATOM 0 HE1 TRP A 36 12.749 3.845 3.494 1.00 14.21 H new ATOM 0 HE3 TRP A 36 8.136 2.570 1.039 1.00 63.43 H new ATOM 0 HZ2 TRP A 36 12.996 3.631 0.699 1.00 54.54 H new ATOM 0 HZ3 TRP A 36 9.270 2.618 -1.144 1.00 34.22 H new ATOM 0 HH2 TRP A 36 11.672 3.135 -1.309 1.00 44.51 H new ATOM 587 N ALA A 37 6.177 3.997 1.898 1.00 22.15 N ATOM 588 CA ALA A 37 5.943 4.324 0.496 1.00 30.33 C ATOM 589 C ALA A 37 5.260 5.680 0.356 1.00 1.15 C ATOM 590 O ALA A 37 5.692 6.526 -0.427 1.00 61.33 O ATOM 591 CB ALA A 37 5.108 3.239 -0.168 1.00 70.11 C ATOM 0 H ALA A 37 5.504 3.341 2.296 1.00 22.15 H new ATOM 0 HA ALA A 37 6.910 4.379 -0.005 1.00 30.33 H new ATOM 0 HB1 ALA A 37 4.942 3.497 -1.214 1.00 70.11 H new ATOM 0 HB2 ALA A 37 5.635 2.287 -0.108 1.00 70.11 H new ATOM 0 HB3 ALA A 37 4.148 3.155 0.342 1.00 70.11 H new ATOM 597 N SER A 38 4.190 5.880 1.119 1.00 4.42 N ATOM 598 CA SER A 38 3.443 7.132 1.076 1.00 30.14 C ATOM 599 C SER A 38 4.311 8.298 1.542 1.00 61.11 C ATOM 600 O SER A 38 4.237 9.398 0.996 1.00 4.11 O ATOM 601 CB SER A 38 2.190 7.034 1.947 1.00 61.42 C ATOM 602 OG SER A 38 1.872 5.682 2.232 1.00 12.41 O ATOM 0 H SER A 38 3.821 5.191 1.774 1.00 4.42 H new ATOM 0 HA SER A 38 3.145 7.313 0.043 1.00 30.14 H new ATOM 0 HB2 SER A 38 2.347 7.578 2.878 1.00 61.42 H new ATOM 0 HB3 SER A 38 1.351 7.509 1.438 1.00 61.42 H new ATOM 0 HG SER A 38 1.068 5.646 2.792 1.00 12.41 H new ATOM 608 N ARG A 39 5.133 8.047 2.556 1.00 34.34 N ATOM 609 CA ARG A 39 6.014 9.074 3.097 1.00 13.22 C ATOM 610 C ARG A 39 7.102 9.442 2.093 1.00 33.15 C ATOM 611 O ARG A 39 7.635 10.551 2.119 1.00 71.25 O ATOM 612 CB ARG A 39 6.651 8.594 4.402 1.00 33.04 C ATOM 613 CG ARG A 39 7.630 9.589 5.004 1.00 44.21 C ATOM 614 CD ARG A 39 7.559 9.590 6.523 1.00 41.31 C ATOM 615 NE ARG A 39 8.885 9.581 7.133 1.00 71.41 N ATOM 616 CZ ARG A 39 9.622 8.483 7.273 1.00 51.42 C ATOM 617 NH1 ARG A 39 9.163 7.315 6.847 1.00 75.23 N ATOM 618 NH2 ARG A 39 10.821 8.555 7.838 1.00 62.32 N ATOM 0 H ARG A 39 5.207 7.141 3.019 1.00 34.34 H new ATOM 0 HA ARG A 39 5.414 9.962 3.298 1.00 13.22 H new ATOM 0 HB2 ARG A 39 5.863 8.388 5.127 1.00 33.04 H new ATOM 0 HB3 ARG A 39 7.169 7.653 4.219 1.00 33.04 H new ATOM 0 HG2 ARG A 39 8.643 9.342 4.686 1.00 44.21 H new ATOM 0 HG3 ARG A 39 7.412 10.589 4.628 1.00 44.21 H new ATOM 0 HD2 ARG A 39 7.011 10.470 6.860 1.00 41.31 H new ATOM 0 HD3 ARG A 39 6.999 8.718 6.860 1.00 41.31 H new ATOM 0 HE ARG A 39 9.267 10.465 7.470 1.00 71.41 H new ATOM 0 HH11 ARG A 39 8.243 7.257 6.411 1.00 75.23 H new ATOM 0 HH12 ARG A 39 9.730 6.474 6.955 1.00 75.23 H new ATOM 0 HH21 ARG A 39 11.178 9.453 8.165 1.00 62.32 H new ATOM 0 HH22 ARG A 39 11.386 7.712 7.945 1.00 62.32 H new ATOM 632 N GLU A 40 7.425 8.503 1.208 1.00 55.34 N ATOM 633 CA GLU A 40 8.451 8.730 0.196 1.00 54.25 C ATOM 634 C GLU A 40 7.864 9.430 -1.026 1.00 73.33 C ATOM 635 O GLU A 40 8.509 10.284 -1.635 1.00 11.43 O ATOM 636 CB GLU A 40 9.090 7.403 -0.220 1.00 74.34 C ATOM 637 CG GLU A 40 10.565 7.520 -0.567 1.00 72.32 C ATOM 638 CD GLU A 40 11.467 7.239 0.620 1.00 2.42 C ATOM 639 OE1 GLU A 40 11.229 7.822 1.697 1.00 40.43 O ATOM 640 OE2 GLU A 40 12.411 6.436 0.469 1.00 30.54 O ATOM 0 H GLU A 40 6.992 7.580 1.171 1.00 55.34 H new ATOM 0 HA GLU A 40 9.217 9.374 0.629 1.00 54.25 H new ATOM 0 HB2 GLU A 40 8.972 6.683 0.590 1.00 74.34 H new ATOM 0 HB3 GLU A 40 8.553 7.005 -1.081 1.00 74.34 H new ATOM 0 HG2 GLU A 40 10.802 6.824 -1.371 1.00 72.32 H new ATOM 0 HG3 GLU A 40 10.768 8.523 -0.943 1.00 72.32 H new ATOM 647 N LEU A 41 6.638 9.060 -1.380 1.00 40.30 N ATOM 648 CA LEU A 41 5.963 9.651 -2.531 1.00 45.44 C ATOM 649 C LEU A 41 5.684 11.132 -2.296 1.00 2.31 C ATOM 650 O LEU A 41 5.750 11.939 -3.222 1.00 4.54 O ATOM 651 CB LEU A 41 4.654 8.912 -2.813 1.00 0.11 C ATOM 652 CG LEU A 41 4.776 7.608 -3.601 1.00 62.10 C ATOM 653 CD1 LEU A 41 3.404 6.994 -3.833 1.00 52.21 C ATOM 654 CD2 LEU A 41 5.485 7.850 -4.926 1.00 64.20 C ATOM 0 H LEU A 41 6.091 8.354 -0.887 1.00 40.30 H new ATOM 0 HA LEU A 41 6.620 9.557 -3.396 1.00 45.44 H new ATOM 0 HB2 LEU A 41 4.171 8.694 -1.861 1.00 0.11 H new ATOM 0 HB3 LEU A 41 3.992 9.583 -3.360 1.00 0.11 H new ATOM 0 HG LEU A 41 5.371 6.907 -3.016 1.00 62.10 H new ATOM 0 HD11 LEU A 41 3.511 6.066 -4.395 1.00 52.21 H new ATOM 0 HD12 LEU A 41 2.932 6.784 -2.873 1.00 52.21 H new ATOM 0 HD13 LEU A 41 2.784 7.691 -4.397 1.00 52.21 H new ATOM 0 HD21 LEU A 41 5.563 6.911 -5.474 1.00 64.20 H new ATOM 0 HD22 LEU A 41 4.917 8.569 -5.517 1.00 64.20 H new ATOM 0 HD23 LEU A 41 6.484 8.244 -4.738 1.00 64.20 H new ATOM 666 N GLU A 42 5.376 11.481 -1.051 1.00 2.33 N ATOM 667 CA GLU A 42 5.089 12.866 -0.695 1.00 25.14 C ATOM 668 C GLU A 42 6.277 13.768 -1.016 1.00 22.54 C ATOM 669 O GLU A 42 6.108 14.886 -1.502 1.00 11.12 O ATOM 670 CB GLU A 42 4.739 12.973 0.791 1.00 30.23 C ATOM 671 CG GLU A 42 4.134 14.312 1.179 1.00 71.32 C ATOM 672 CD GLU A 42 5.161 15.271 1.750 1.00 72.21 C ATOM 673 OE1 GLU A 42 6.021 14.820 2.536 1.00 45.01 O ATOM 674 OE2 GLU A 42 5.105 16.471 1.411 1.00 43.40 O ATOM 0 H GLU A 42 5.319 10.825 -0.272 1.00 2.33 H new ATOM 0 HA GLU A 42 4.235 13.196 -1.286 1.00 25.14 H new ATOM 0 HB2 GLU A 42 4.038 12.179 1.049 1.00 30.23 H new ATOM 0 HB3 GLU A 42 5.640 12.806 1.381 1.00 30.23 H new ATOM 0 HG2 GLU A 42 3.668 14.764 0.303 1.00 71.32 H new ATOM 0 HG3 GLU A 42 3.345 14.151 1.913 1.00 71.32 H new ATOM 681 N ARG A 43 7.479 13.273 -0.739 1.00 71.21 N ATOM 682 CA ARG A 43 8.696 14.034 -0.995 1.00 61.31 C ATOM 683 C ARG A 43 9.165 13.839 -2.434 1.00 2.34 C ATOM 684 O ARG A 43 9.809 14.716 -3.011 1.00 2.24 O ATOM 685 CB ARG A 43 9.801 13.611 -0.025 1.00 3.14 C ATOM 686 CG ARG A 43 11.068 14.443 -0.145 1.00 25.43 C ATOM 687 CD ARG A 43 11.053 15.621 0.816 1.00 3.25 C ATOM 688 NE ARG A 43 11.581 16.836 0.200 1.00 4.14 N ATOM 689 CZ ARG A 43 11.902 17.927 0.885 1.00 53.43 C ATOM 690 NH1 ARG A 43 11.751 17.955 2.203 1.00 32.22 N ATOM 691 NH2 ARG A 43 12.378 18.993 0.254 1.00 51.01 N ATOM 0 H ARG A 43 7.636 12.349 -0.337 1.00 71.21 H new ATOM 0 HA ARG A 43 8.474 15.090 -0.843 1.00 61.31 H new ATOM 0 HB2 ARG A 43 9.424 13.683 0.995 1.00 3.14 H new ATOM 0 HB3 ARG A 43 10.046 12.564 -0.201 1.00 3.14 H new ATOM 0 HG2 ARG A 43 11.937 13.817 0.059 1.00 25.43 H new ATOM 0 HG3 ARG A 43 11.170 14.807 -1.167 1.00 25.43 H new ATOM 0 HD2 ARG A 43 10.032 15.800 1.154 1.00 3.25 H new ATOM 0 HD3 ARG A 43 11.643 15.376 1.699 1.00 3.25 H new ATOM 0 HE ARG A 43 11.710 16.847 -0.812 1.00 4.14 H new ATOM 0 HH11 ARG A 43 11.388 17.137 2.692 1.00 32.22 H new ATOM 0 HH12 ARG A 43 11.998 18.794 2.727 1.00 32.22 H new ATOM 0 HH21 ARG A 43 12.498 18.975 -0.759 1.00 51.01 H new ATOM 0 HH22 ARG A 43 12.624 19.830 0.782 1.00 51.01 H new ATOM 705 N PHE A 44 8.839 12.686 -3.007 1.00 31.14 N ATOM 706 CA PHE A 44 9.228 12.376 -4.377 1.00 2.24 C ATOM 707 C PHE A 44 8.571 13.341 -5.361 1.00 74.23 C ATOM 708 O PHE A 44 8.954 13.409 -6.529 1.00 74.43 O ATOM 709 CB PHE A 44 8.845 10.936 -4.726 1.00 64.43 C ATOM 710 CG PHE A 44 10.028 10.036 -4.940 1.00 64.32 C ATOM 711 CD1 PHE A 44 10.904 10.259 -5.988 1.00 54.03 C ATOM 712 CD2 PHE A 44 10.261 8.965 -4.091 1.00 74.00 C ATOM 713 CE1 PHE A 44 11.994 9.432 -6.187 1.00 14.12 C ATOM 714 CE2 PHE A 44 11.350 8.135 -4.285 1.00 11.43 C ATOM 715 CZ PHE A 44 12.217 8.369 -5.335 1.00 71.23 C ATOM 0 H PHE A 44 8.306 11.950 -2.543 1.00 31.14 H new ATOM 0 HA PHE A 44 10.310 12.486 -4.454 1.00 2.24 H new ATOM 0 HB2 PHE A 44 8.229 10.528 -3.925 1.00 64.43 H new ATOM 0 HB3 PHE A 44 8.234 10.940 -5.628 1.00 64.43 H new ATOM 0 HD1 PHE A 44 10.734 11.089 -6.658 1.00 54.03 H new ATOM 0 HD2 PHE A 44 9.585 8.777 -3.270 1.00 74.00 H new ATOM 0 HE1 PHE A 44 12.670 9.617 -7.008 1.00 14.12 H new ATOM 0 HE2 PHE A 44 11.523 7.305 -3.616 1.00 11.43 H new ATOM 0 HZ PHE A 44 13.068 7.721 -5.489 1.00 71.23 H new ATOM 725 N ALA A 45 7.581 14.085 -4.879 1.00 71.43 N ATOM 726 CA ALA A 45 6.873 15.046 -5.714 1.00 11.43 C ATOM 727 C ALA A 45 5.669 14.403 -6.393 1.00 74.42 C ATOM 728 O ALA A 45 4.966 15.045 -7.173 1.00 2.33 O ATOM 729 CB ALA A 45 7.814 15.638 -6.753 1.00 30.23 C ATOM 0 H ALA A 45 7.252 14.040 -3.915 1.00 71.43 H new ATOM 0 HA ALA A 45 6.509 15.848 -5.072 1.00 11.43 H new ATOM 0 HB1 ALA A 45 7.271 16.354 -7.370 1.00 30.23 H new ATOM 0 HB2 ALA A 45 8.639 16.143 -6.251 1.00 30.23 H new ATOM 0 HB3 ALA A 45 8.207 14.841 -7.384 1.00 30.23 H new ATOM 735 N VAL A 46 5.437 13.129 -6.092 1.00 72.21 N ATOM 736 CA VAL A 46 4.318 12.397 -6.673 1.00 1.42 C ATOM 737 C VAL A 46 3.142 12.333 -5.706 1.00 64.21 C ATOM 738 O VAL A 46 3.300 11.955 -4.546 1.00 3.03 O ATOM 739 CB VAL A 46 4.726 10.964 -7.065 1.00 54.54 C ATOM 740 CG1 VAL A 46 3.495 10.090 -7.252 1.00 1.43 C ATOM 741 CG2 VAL A 46 5.577 10.978 -8.325 1.00 15.31 C ATOM 0 H VAL A 46 6.010 12.582 -5.449 1.00 72.21 H new ATOM 0 HA VAL A 46 4.018 12.939 -7.570 1.00 1.42 H new ATOM 0 HB VAL A 46 5.322 10.541 -6.257 1.00 54.54 H new ATOM 0 HG11 VAL A 46 3.803 9.082 -7.529 1.00 1.43 H new ATOM 0 HG12 VAL A 46 2.929 10.054 -6.321 1.00 1.43 H new ATOM 0 HG13 VAL A 46 2.869 10.507 -8.041 1.00 1.43 H new ATOM 0 HG21 VAL A 46 5.856 9.957 -8.587 1.00 15.31 H new ATOM 0 HG22 VAL A 46 5.008 11.420 -9.143 1.00 15.31 H new ATOM 0 HG23 VAL A 46 6.477 11.567 -8.149 1.00 15.31 H new ATOM 751 N ASN A 47 1.962 12.704 -6.192 1.00 51.22 N ATOM 752 CA ASN A 47 0.757 12.688 -5.370 1.00 54.53 C ATOM 753 C ASN A 47 0.594 11.343 -4.669 1.00 61.34 C ATOM 754 O ASN A 47 0.535 10.289 -5.302 1.00 61.11 O ATOM 755 CB ASN A 47 -0.475 12.982 -6.227 1.00 13.35 C ATOM 756 CG ASN A 47 -0.457 14.384 -6.807 1.00 72.12 C ATOM 757 OD1 ASN A 47 0.444 15.173 -6.520 1.00 13.40 O ATOM 758 ND2 ASN A 47 -1.454 14.700 -7.625 1.00 73.53 N ATOM 0 H ASN A 47 1.814 13.019 -7.151 1.00 51.22 H new ATOM 0 HA ASN A 47 0.856 13.464 -4.611 1.00 54.53 H new ATOM 0 HB2 ASN A 47 -0.530 12.257 -7.039 1.00 13.35 H new ATOM 0 HB3 ASN A 47 -1.373 12.853 -5.623 1.00 13.35 H new ATOM 0 HD21 ASN A 47 -1.495 15.629 -8.044 1.00 73.53 H new ATOM 0 HD22 ASN A 47 -2.179 14.014 -7.834 1.00 73.53 H new ATOM 765 N PRO A 48 0.519 11.378 -3.330 1.00 11.20 N ATOM 766 CA PRO A 48 0.361 10.171 -2.514 1.00 12.31 C ATOM 767 C PRO A 48 -1.019 9.541 -2.672 1.00 41.00 C ATOM 768 O PRO A 48 -1.280 8.457 -2.153 1.00 3.14 O ATOM 769 CB PRO A 48 0.555 10.682 -1.084 1.00 22.11 C ATOM 770 CG PRO A 48 0.181 12.123 -1.142 1.00 34.51 C ATOM 771 CD PRO A 48 0.583 12.599 -2.511 1.00 51.35 C ATOM 0 HA PRO A 48 1.065 9.390 -2.801 1.00 12.31 H new ATOM 0 HB2 PRO A 48 -0.075 10.138 -0.380 1.00 22.11 H new ATOM 0 HB3 PRO A 48 1.586 10.554 -0.754 1.00 22.11 H new ATOM 0 HG2 PRO A 48 -0.889 12.256 -0.981 1.00 34.51 H new ATOM 0 HG3 PRO A 48 0.693 12.691 -0.365 1.00 34.51 H new ATOM 0 HD2 PRO A 48 -0.093 13.368 -2.883 1.00 51.35 H new ATOM 0 HD3 PRO A 48 1.585 13.029 -2.509 1.00 51.35 H new ATOM 779 N GLY A 49 -1.900 10.229 -3.393 1.00 35.33 N ATOM 780 CA GLY A 49 -3.241 9.721 -3.607 1.00 61.30 C ATOM 781 C GLY A 49 -3.305 8.705 -4.731 1.00 55.03 C ATOM 782 O GLY A 49 -4.348 8.096 -4.970 1.00 44.43 O ATOM 0 H GLY A 49 -1.708 11.129 -3.832 1.00 35.33 H new ATOM 0 HA2 GLY A 49 -3.604 9.263 -2.687 1.00 61.30 H new ATOM 0 HA3 GLY A 49 -3.909 10.552 -3.834 1.00 61.30 H new ATOM 786 N LEU A 50 -2.187 8.524 -5.425 1.00 62.50 N ATOM 787 CA LEU A 50 -2.120 7.575 -6.533 1.00 41.34 C ATOM 788 C LEU A 50 -1.842 6.164 -6.024 1.00 21.45 C ATOM 789 O LEU A 50 -1.546 5.258 -6.805 1.00 11.54 O ATOM 790 CB LEU A 50 -1.034 7.996 -7.524 1.00 11.13 C ATOM 791 CG LEU A 50 -0.952 9.490 -7.836 1.00 45.34 C ATOM 792 CD1 LEU A 50 0.404 9.839 -8.431 1.00 65.41 C ATOM 793 CD2 LEU A 50 -2.073 9.900 -8.781 1.00 52.52 C ATOM 0 H LEU A 50 -1.315 9.021 -5.241 1.00 62.50 H new ATOM 0 HA LEU A 50 -3.085 7.575 -7.040 1.00 41.34 H new ATOM 0 HB2 LEU A 50 -0.069 7.674 -7.133 1.00 11.13 H new ATOM 0 HB3 LEU A 50 -1.195 7.459 -8.459 1.00 11.13 H new ATOM 0 HG LEU A 50 -1.069 10.043 -6.904 1.00 45.34 H new ATOM 0 HD11 LEU A 50 0.443 10.907 -8.646 1.00 65.41 H new ATOM 0 HD12 LEU A 50 1.190 9.583 -7.720 1.00 65.41 H new ATOM 0 HD13 LEU A 50 0.552 9.277 -9.353 1.00 65.41 H new ATOM 0 HD21 LEU A 50 -1.999 10.967 -8.992 1.00 52.52 H new ATOM 0 HD22 LEU A 50 -1.988 9.339 -9.712 1.00 52.52 H new ATOM 0 HD23 LEU A 50 -3.036 9.688 -8.317 1.00 52.52 H new ATOM 805 N LEU A 51 -1.941 5.983 -4.712 1.00 11.22 N ATOM 806 CA LEU A 51 -1.702 4.680 -4.100 1.00 52.25 C ATOM 807 C LEU A 51 -3.016 4.026 -3.684 1.00 32.52 C ATOM 808 O LEU A 51 -3.074 2.816 -3.466 1.00 2.33 O ATOM 809 CB LEU A 51 -0.785 4.827 -2.884 1.00 14.54 C ATOM 810 CG LEU A 51 0.597 5.422 -3.155 1.00 70.13 C ATOM 811 CD1 LEU A 51 1.405 5.502 -1.868 1.00 2.31 C ATOM 812 CD2 LEU A 51 1.336 4.599 -4.200 1.00 53.43 C ATOM 0 H LEU A 51 -2.185 6.721 -4.052 1.00 11.22 H new ATOM 0 HA LEU A 51 -1.217 4.042 -4.838 1.00 52.25 H new ATOM 0 HB2 LEU A 51 -1.289 5.452 -2.147 1.00 14.54 H new ATOM 0 HB3 LEU A 51 -0.653 3.844 -2.432 1.00 14.54 H new ATOM 0 HG LEU A 51 0.467 6.433 -3.542 1.00 70.13 H new ATOM 0 HD11 LEU A 51 2.386 5.928 -2.080 1.00 2.31 H new ATOM 0 HD12 LEU A 51 0.883 6.134 -1.149 1.00 2.31 H new ATOM 0 HD13 LEU A 51 1.526 4.502 -1.452 1.00 2.31 H new ATOM 0 HD21 LEU A 51 2.318 5.037 -4.380 1.00 53.43 H new ATOM 0 HD22 LEU A 51 1.455 3.577 -3.841 1.00 53.43 H new ATOM 0 HD23 LEU A 51 0.765 4.593 -5.129 1.00 53.43 H new ATOM 824 N GLU A 52 -4.066 4.833 -3.579 1.00 71.13 N ATOM 825 CA GLU A 52 -5.379 4.330 -3.191 1.00 41.45 C ATOM 826 C GLU A 52 -6.133 3.786 -4.400 1.00 41.31 C ATOM 827 O GLU A 52 -6.882 2.815 -4.294 1.00 12.14 O ATOM 828 CB GLU A 52 -6.197 5.438 -2.522 1.00 53.42 C ATOM 829 CG GLU A 52 -6.244 6.727 -3.324 1.00 42.30 C ATOM 830 CD GLU A 52 -7.511 7.522 -3.076 1.00 2.43 C ATOM 831 OE1 GLU A 52 -8.563 7.155 -3.640 1.00 15.43 O ATOM 832 OE2 GLU A 52 -7.450 8.513 -2.317 1.00 63.54 O ATOM 0 H GLU A 52 -4.034 5.837 -3.757 1.00 71.13 H new ATOM 0 HA GLU A 52 -5.232 3.517 -2.480 1.00 41.45 H new ATOM 0 HB2 GLU A 52 -7.215 5.081 -2.363 1.00 53.42 H new ATOM 0 HB3 GLU A 52 -5.775 5.647 -1.539 1.00 53.42 H new ATOM 0 HG2 GLU A 52 -5.379 7.340 -3.070 1.00 42.30 H new ATOM 0 HG3 GLU A 52 -6.168 6.493 -4.386 1.00 42.30 H new ATOM 839 N THR A 53 -5.929 4.420 -5.551 1.00 11.14 N ATOM 840 CA THR A 53 -6.590 4.002 -6.781 1.00 3.52 C ATOM 841 C THR A 53 -5.642 3.204 -7.670 1.00 44.12 C ATOM 842 O THR A 53 -4.520 3.632 -7.939 1.00 70.01 O ATOM 843 CB THR A 53 -7.122 5.212 -7.573 1.00 41.32 C ATOM 844 OG1 THR A 53 -6.155 5.625 -8.545 1.00 32.32 O ATOM 845 CG2 THR A 53 -7.437 6.372 -6.640 1.00 43.32 C ATOM 0 H THR A 53 -5.311 5.225 -5.657 1.00 11.14 H new ATOM 0 HA THR A 53 -7.430 3.371 -6.490 1.00 3.52 H new ATOM 0 HB THR A 53 -8.040 4.912 -8.079 1.00 41.32 H new ATOM 0 HG1 THR A 53 -6.501 6.393 -9.045 1.00 32.32 H new ATOM 0 HG21 THR A 53 -7.811 7.215 -7.221 1.00 43.32 H new ATOM 0 HG22 THR A 53 -8.194 6.064 -5.919 1.00 43.32 H new ATOM 0 HG23 THR A 53 -6.532 6.669 -6.111 1.00 43.32 H new ATOM 853 N SER A 54 -6.103 2.043 -8.125 1.00 52.20 N ATOM 854 CA SER A 54 -5.295 1.183 -8.982 1.00 14.42 C ATOM 855 C SER A 54 -4.755 1.962 -10.178 1.00 3.22 C ATOM 856 O SER A 54 -3.667 1.678 -10.676 1.00 54.42 O ATOM 857 CB SER A 54 -6.119 -0.010 -9.466 1.00 11.00 C ATOM 858 OG SER A 54 -7.476 0.116 -9.077 1.00 61.34 O ATOM 0 H SER A 54 -7.031 1.676 -7.915 1.00 52.20 H new ATOM 0 HA SER A 54 -4.451 0.818 -8.397 1.00 14.42 H new ATOM 0 HB2 SER A 54 -6.054 -0.084 -10.552 1.00 11.00 H new ATOM 0 HB3 SER A 54 -5.705 -0.932 -9.058 1.00 11.00 H new ATOM 0 HG SER A 54 -7.982 -0.659 -9.400 1.00 61.34 H new ATOM 864 N GLU A 55 -5.526 2.945 -10.633 1.00 25.42 N ATOM 865 CA GLU A 55 -5.127 3.764 -11.771 1.00 11.14 C ATOM 866 C GLU A 55 -3.876 4.576 -11.445 1.00 1.43 C ATOM 867 O GLU A 55 -3.047 4.836 -12.315 1.00 33.32 O ATOM 868 CB GLU A 55 -6.266 4.701 -12.179 1.00 54.50 C ATOM 869 CG GLU A 55 -6.991 4.265 -13.440 1.00 14.23 C ATOM 870 CD GLU A 55 -6.541 5.035 -14.667 1.00 34.10 C ATOM 871 OE1 GLU A 55 -6.294 6.254 -14.547 1.00 65.32 O ATOM 872 OE2 GLU A 55 -6.435 4.419 -15.748 1.00 5.30 O ATOM 0 H GLU A 55 -6.430 3.193 -10.231 1.00 25.42 H new ATOM 0 HA GLU A 55 -4.900 3.098 -12.603 1.00 11.14 H new ATOM 0 HB2 GLU A 55 -6.984 4.764 -11.361 1.00 54.50 H new ATOM 0 HB3 GLU A 55 -5.865 5.703 -12.329 1.00 54.50 H new ATOM 0 HG2 GLU A 55 -6.823 3.200 -13.602 1.00 14.23 H new ATOM 0 HG3 GLU A 55 -8.064 4.401 -13.303 1.00 14.23 H new ATOM 879 N GLY A 56 -3.750 4.975 -10.183 1.00 4.31 N ATOM 880 CA GLY A 56 -2.601 5.755 -9.763 1.00 14.03 C ATOM 881 C GLY A 56 -1.296 5.002 -9.935 1.00 73.02 C ATOM 882 O GLY A 56 -0.354 5.510 -10.545 1.00 23.40 O ATOM 0 H GLY A 56 -4.423 4.772 -9.444 1.00 4.31 H new ATOM 0 HA2 GLY A 56 -2.563 6.679 -10.340 1.00 14.03 H new ATOM 0 HA3 GLY A 56 -2.719 6.037 -8.717 1.00 14.03 H new ATOM 886 N CYS A 57 -1.239 3.790 -9.394 1.00 42.54 N ATOM 887 CA CYS A 57 -0.039 2.966 -9.488 1.00 51.05 C ATOM 888 C CYS A 57 0.381 2.782 -10.942 1.00 15.02 C ATOM 889 O CYS A 57 1.533 3.027 -11.302 1.00 42.11 O ATOM 890 CB CYS A 57 -0.278 1.604 -8.836 1.00 35.24 C ATOM 891 SG CYS A 57 -0.246 1.634 -7.029 1.00 32.22 S ATOM 0 H CYS A 57 -2.010 3.356 -8.886 1.00 42.54 H new ATOM 0 HA CYS A 57 0.765 3.477 -8.959 1.00 51.05 H new ATOM 0 HB2 CYS A 57 -1.244 1.220 -9.165 1.00 35.24 H new ATOM 0 HB3 CYS A 57 0.480 0.906 -9.190 1.00 35.24 H new ATOM 0 HG CYS A 57 -0.248 0.416 -6.575 1.00 32.22 H new ATOM 897 N ARG A 58 -0.559 2.347 -11.774 1.00 63.23 N ATOM 898 CA ARG A 58 -0.286 2.126 -13.189 1.00 32.31 C ATOM 899 C ARG A 58 0.490 3.298 -13.782 1.00 40.21 C ATOM 900 O ARG A 58 1.339 3.116 -14.655 1.00 64.32 O ATOM 901 CB ARG A 58 -1.593 1.925 -13.957 1.00 74.11 C ATOM 902 CG ARG A 58 -1.521 0.824 -15.004 1.00 52.43 C ATOM 903 CD ARG A 58 -0.861 1.314 -16.283 1.00 61.20 C ATOM 904 NE ARG A 58 -1.641 2.362 -16.935 1.00 43.14 N ATOM 905 CZ ARG A 58 -2.698 2.122 -17.703 1.00 70.35 C ATOM 906 NH1 ARG A 58 -3.099 0.876 -17.913 1.00 2.30 N ATOM 907 NH2 ARG A 58 -3.357 3.130 -18.261 1.00 72.52 N ATOM 0 H ARG A 58 -1.517 2.140 -11.492 1.00 63.23 H new ATOM 0 HA ARG A 58 0.323 1.226 -13.280 1.00 32.31 H new ATOM 0 HB2 ARG A 58 -2.388 1.690 -13.249 1.00 74.11 H new ATOM 0 HB3 ARG A 58 -1.866 2.861 -14.444 1.00 74.11 H new ATOM 0 HG2 ARG A 58 -0.961 -0.022 -14.606 1.00 52.43 H new ATOM 0 HG3 ARG A 58 -2.526 0.465 -15.226 1.00 52.43 H new ATOM 0 HD2 ARG A 58 0.135 1.693 -16.055 1.00 61.20 H new ATOM 0 HD3 ARG A 58 -0.734 0.477 -16.969 1.00 61.20 H new ATOM 0 HE ARG A 58 -1.359 3.332 -16.793 1.00 43.14 H new ATOM 0 HH11 ARG A 58 -2.596 0.099 -17.484 1.00 2.30 H new ATOM 0 HH12 ARG A 58 -3.911 0.694 -18.503 1.00 2.30 H new ATOM 0 HH21 ARG A 58 -3.052 4.090 -18.100 1.00 72.52 H new ATOM 0 HH22 ARG A 58 -4.168 2.945 -18.851 1.00 72.52 H new ATOM 921 N GLN A 59 0.193 4.502 -13.301 1.00 34.41 N ATOM 922 CA GLN A 59 0.862 5.704 -13.785 1.00 22.33 C ATOM 923 C GLN A 59 2.225 5.873 -13.120 1.00 1.31 C ATOM 924 O GLN A 59 3.201 6.245 -13.771 1.00 11.35 O ATOM 925 CB GLN A 59 -0.005 6.936 -13.521 1.00 15.22 C ATOM 926 CG GLN A 59 -0.062 7.901 -14.694 1.00 54.32 C ATOM 927 CD GLN A 59 0.978 9.001 -14.597 1.00 43.01 C ATOM 928 OE1 GLN A 59 1.994 8.972 -15.291 1.00 50.22 O ATOM 929 NE2 GLN A 59 0.727 9.978 -13.733 1.00 21.23 N ATOM 0 H GLN A 59 -0.506 4.670 -12.577 1.00 34.41 H new ATOM 0 HA GLN A 59 1.013 5.599 -14.859 1.00 22.33 H new ATOM 0 HB2 GLN A 59 -1.017 6.613 -13.278 1.00 15.22 H new ATOM 0 HB3 GLN A 59 0.381 7.461 -12.647 1.00 15.22 H new ATOM 0 HG2 GLN A 59 0.085 7.348 -15.622 1.00 54.32 H new ATOM 0 HG3 GLN A 59 -1.055 8.348 -14.744 1.00 54.32 H new ATOM 0 HE21 GLN A 59 -0.129 9.961 -13.178 1.00 21.23 H new ATOM 0 HE22 GLN A 59 1.390 10.746 -13.624 1.00 21.23 H new ATOM 938 N ILE A 60 2.282 5.597 -11.822 1.00 13.41 N ATOM 939 CA ILE A 60 3.525 5.719 -11.070 1.00 41.20 C ATOM 940 C ILE A 60 4.586 4.763 -11.604 1.00 74.40 C ATOM 941 O ILE A 60 5.660 5.186 -12.034 1.00 61.53 O ATOM 942 CB ILE A 60 3.307 5.441 -9.572 1.00 63.35 C ATOM 943 CG1 ILE A 60 2.213 6.354 -9.015 1.00 2.32 C ATOM 944 CG2 ILE A 60 4.605 5.631 -8.802 1.00 75.22 C ATOM 945 CD1 ILE A 60 1.427 5.735 -7.881 1.00 3.13 C ATOM 0 H ILE A 60 1.483 5.288 -11.269 1.00 13.41 H new ATOM 0 HA ILE A 60 3.869 6.746 -11.194 1.00 41.20 H new ATOM 0 HB ILE A 60 2.986 4.406 -9.454 1.00 63.35 H new ATOM 0 HG12 ILE A 60 2.668 7.281 -8.667 1.00 2.32 H new ATOM 0 HG13 ILE A 60 1.527 6.618 -9.820 1.00 2.32 H new ATOM 0 HG21 ILE A 60 4.433 5.431 -7.744 1.00 75.22 H new ATOM 0 HG22 ILE A 60 5.359 4.943 -9.184 1.00 75.22 H new ATOM 0 HG23 ILE A 60 4.954 6.656 -8.925 1.00 75.22 H new ATOM 0 HD11 ILE A 60 0.669 6.439 -7.537 1.00 3.13 H new ATOM 0 HD12 ILE A 60 0.943 4.823 -8.229 1.00 3.13 H new ATOM 0 HD13 ILE A 60 2.101 5.497 -7.059 1.00 3.13 H new ATOM 957 N LEU A 61 4.278 3.471 -11.575 1.00 61.31 N ATOM 958 CA LEU A 61 5.204 2.452 -12.058 1.00 0.04 C ATOM 959 C LEU A 61 5.713 2.795 -13.454 1.00 5.33 C ATOM 960 O LEU A 61 6.825 2.428 -13.829 1.00 11.52 O ATOM 961 CB LEU A 61 4.524 1.082 -12.073 1.00 4.22 C ATOM 962 CG LEU A 61 4.070 0.543 -10.717 1.00 63.45 C ATOM 963 CD1 LEU A 61 2.735 -0.174 -10.847 1.00 62.15 C ATOM 964 CD2 LEU A 61 5.123 -0.389 -10.134 1.00 31.54 C ATOM 0 H LEU A 61 3.394 3.104 -11.222 1.00 61.31 H new ATOM 0 HA LEU A 61 6.056 2.420 -11.379 1.00 0.04 H new ATOM 0 HB2 LEU A 61 3.655 1.137 -12.729 1.00 4.22 H new ATOM 0 HB3 LEU A 61 5.212 0.362 -12.516 1.00 4.22 H new ATOM 0 HG LEU A 61 3.942 1.385 -10.037 1.00 63.45 H new ATOM 0 HD11 LEU A 61 2.428 -0.551 -9.871 1.00 62.15 H new ATOM 0 HD12 LEU A 61 1.983 0.521 -11.220 1.00 62.15 H new ATOM 0 HD13 LEU A 61 2.836 -1.007 -11.543 1.00 62.15 H new ATOM 0 HD21 LEU A 61 4.783 -0.763 -9.168 1.00 31.54 H new ATOM 0 HD22 LEU A 61 5.283 -1.227 -10.812 1.00 31.54 H new ATOM 0 HD23 LEU A 61 6.058 0.155 -10.003 1.00 31.54 H new ATOM 976 N GLY A 62 4.889 3.505 -14.220 1.00 5.42 N ATOM 977 CA GLY A 62 5.273 3.889 -15.566 1.00 41.54 C ATOM 978 C GLY A 62 6.341 4.965 -15.580 1.00 63.35 C ATOM 979 O GLY A 62 7.194 4.989 -16.466 1.00 3.05 O ATOM 0 H GLY A 62 3.963 3.821 -13.932 1.00 5.42 H new ATOM 0 HA2 GLY A 62 5.638 3.012 -16.100 1.00 41.54 H new ATOM 0 HA3 GLY A 62 4.394 4.247 -16.103 1.00 41.54 H new ATOM 983 N GLN A 63 6.294 5.856 -14.594 1.00 22.12 N ATOM 984 CA GLN A 63 7.265 6.940 -14.499 1.00 71.22 C ATOM 985 C GLN A 63 8.630 6.412 -14.070 1.00 61.31 C ATOM 986 O GLN A 63 9.659 6.795 -14.628 1.00 63.23 O ATOM 987 CB GLN A 63 6.781 8.000 -13.509 1.00 44.22 C ATOM 988 CG GLN A 63 7.797 9.100 -13.249 1.00 21.34 C ATOM 989 CD GLN A 63 7.150 10.404 -12.824 1.00 73.12 C ATOM 990 OE1 GLN A 63 6.570 10.498 -11.743 1.00 64.22 O ATOM 991 NE2 GLN A 63 7.249 11.419 -13.674 1.00 32.33 N ATOM 0 H GLN A 63 5.595 5.849 -13.851 1.00 22.12 H new ATOM 0 HA GLN A 63 7.365 7.393 -15.486 1.00 71.22 H new ATOM 0 HB2 GLN A 63 5.863 8.448 -13.889 1.00 44.22 H new ATOM 0 HB3 GLN A 63 6.532 7.516 -12.564 1.00 44.22 H new ATOM 0 HG2 GLN A 63 8.490 8.773 -12.474 1.00 21.34 H new ATOM 0 HG3 GLN A 63 8.384 9.268 -14.152 1.00 21.34 H new ATOM 0 HE21 GLN A 63 7.739 11.296 -14.560 1.00 32.33 H new ATOM 0 HE22 GLN A 63 6.835 12.322 -13.441 1.00 32.33 H new ATOM 1000 N LEU A 64 8.631 5.532 -13.075 1.00 35.41 N ATOM 1001 CA LEU A 64 9.871 4.951 -12.570 1.00 34.42 C ATOM 1002 C LEU A 64 10.332 3.797 -13.454 1.00 13.54 C ATOM 1003 O LEU A 64 11.507 3.433 -13.453 1.00 52.12 O ATOM 1004 CB LEU A 64 9.680 4.461 -11.133 1.00 61.11 C ATOM 1005 CG LEU A 64 9.114 5.483 -10.146 1.00 51.34 C ATOM 1006 CD1 LEU A 64 8.644 4.793 -8.875 1.00 43.35 C ATOM 1007 CD2 LEU A 64 10.154 6.546 -9.824 1.00 2.22 C ATOM 0 H LEU A 64 7.788 5.205 -12.602 1.00 35.41 H new ATOM 0 HA LEU A 64 10.638 5.725 -12.585 1.00 34.42 H new ATOM 0 HB2 LEU A 64 9.017 3.596 -11.150 1.00 61.11 H new ATOM 0 HB3 LEU A 64 10.643 4.117 -10.757 1.00 61.11 H new ATOM 0 HG LEU A 64 8.256 5.971 -10.609 1.00 51.34 H new ATOM 0 HD11 LEU A 64 8.244 5.536 -8.184 1.00 43.35 H new ATOM 0 HD12 LEU A 64 7.866 4.070 -9.120 1.00 43.35 H new ATOM 0 HD13 LEU A 64 9.484 4.278 -8.408 1.00 43.35 H new ATOM 0 HD21 LEU A 64 9.734 7.265 -9.120 1.00 2.22 H new ATOM 0 HD22 LEU A 64 11.031 6.074 -9.381 1.00 2.22 H new ATOM 0 HD23 LEU A 64 10.443 7.061 -10.740 1.00 2.22 H new ATOM 1019 N GLN A 65 9.398 3.229 -14.211 1.00 35.12 N ATOM 1020 CA GLN A 65 9.710 2.117 -15.102 1.00 11.43 C ATOM 1021 C GLN A 65 11.144 2.215 -15.612 1.00 33.34 C ATOM 1022 O GLN A 65 11.964 1.319 -15.407 1.00 13.43 O ATOM 1023 CB GLN A 65 8.737 2.094 -16.282 1.00 33.13 C ATOM 1024 CG GLN A 65 7.960 0.793 -16.404 1.00 3.33 C ATOM 1025 CD GLN A 65 7.521 0.507 -17.826 1.00 63.22 C ATOM 1026 OE1 GLN A 65 6.707 1.235 -18.396 1.00 53.30 O ATOM 1027 NE2 GLN A 65 8.058 -0.559 -18.409 1.00 70.01 N ATOM 0 H GLN A 65 8.421 3.520 -14.225 1.00 35.12 H new ATOM 0 HA GLN A 65 9.607 1.191 -14.537 1.00 11.43 H new ATOM 0 HB2 GLN A 65 8.033 2.920 -16.178 1.00 33.13 H new ATOM 0 HB3 GLN A 65 9.293 2.263 -17.204 1.00 33.13 H new ATOM 0 HG2 GLN A 65 8.579 -0.030 -16.046 1.00 3.33 H new ATOM 0 HG3 GLN A 65 7.083 0.836 -15.759 1.00 3.33 H new ATOM 0 HE21 GLN A 65 8.729 -1.135 -17.900 1.00 70.01 H new ATOM 0 HE22 GLN A 65 7.800 -0.802 -19.365 1.00 70.01 H new ATOM 1036 N PRO A 66 11.457 3.327 -16.293 1.00 11.23 N ATOM 1037 CA PRO A 66 12.792 3.568 -16.847 1.00 53.01 C ATOM 1038 C PRO A 66 13.833 3.823 -15.761 1.00 31.15 C ATOM 1039 O PRO A 66 14.895 3.202 -15.747 1.00 64.42 O ATOM 1040 CB PRO A 66 12.600 4.819 -17.707 1.00 30.53 C ATOM 1041 CG PRO A 66 11.431 5.518 -17.104 1.00 75.33 C ATOM 1042 CD PRO A 66 10.530 4.436 -16.576 1.00 73.15 C ATOM 0 HA PRO A 66 13.164 2.706 -17.401 1.00 53.01 H new ATOM 0 HB2 PRO A 66 13.489 5.450 -17.692 1.00 30.53 H new ATOM 0 HB3 PRO A 66 12.411 4.558 -18.748 1.00 30.53 H new ATOM 0 HG2 PRO A 66 11.747 6.188 -16.304 1.00 75.33 H new ATOM 0 HG3 PRO A 66 10.915 6.128 -17.846 1.00 75.33 H new ATOM 0 HD2 PRO A 66 10.001 4.756 -15.678 1.00 73.15 H new ATOM 0 HD3 PRO A 66 9.774 4.151 -17.307 1.00 73.15 H new ATOM 1050 N SER A 67 13.520 4.741 -14.852 1.00 0.50 N ATOM 1051 CA SER A 67 14.429 5.081 -13.764 1.00 5.22 C ATOM 1052 C SER A 67 14.921 3.822 -13.055 1.00 41.44 C ATOM 1053 O SER A 67 15.985 3.822 -12.435 1.00 31.42 O ATOM 1054 CB SER A 67 13.736 6.007 -12.763 1.00 41.40 C ATOM 1055 OG SER A 67 13.152 7.120 -13.418 1.00 64.15 O ATOM 0 H SER A 67 12.643 5.263 -14.848 1.00 0.50 H new ATOM 0 HA SER A 67 15.290 5.597 -14.189 1.00 5.22 H new ATOM 0 HB2 SER A 67 12.967 5.454 -12.223 1.00 41.40 H new ATOM 0 HB3 SER A 67 14.458 6.354 -12.023 1.00 41.40 H new ATOM 0 HG SER A 67 12.714 7.696 -12.757 1.00 64.15 H new ATOM 1061 N LEU A 68 14.138 2.754 -13.150 1.00 31.21 N ATOM 1062 CA LEU A 68 14.493 1.488 -12.517 1.00 21.13 C ATOM 1063 C LEU A 68 15.844 0.989 -13.017 1.00 32.45 C ATOM 1064 O LEU A 68 16.497 0.176 -12.364 1.00 51.00 O ATOM 1065 CB LEU A 68 13.414 0.438 -12.794 1.00 74.05 C ATOM 1066 CG LEU A 68 12.093 0.620 -12.046 1.00 53.10 C ATOM 1067 CD1 LEU A 68 10.979 -0.150 -12.736 1.00 45.31 C ATOM 1068 CD2 LEU A 68 12.233 0.176 -10.598 1.00 72.23 C ATOM 0 H LEU A 68 13.254 2.738 -13.658 1.00 31.21 H new ATOM 0 HA LEU A 68 14.564 1.654 -11.442 1.00 21.13 H new ATOM 0 HB2 LEU A 68 13.205 0.434 -13.864 1.00 74.05 H new ATOM 0 HB3 LEU A 68 13.818 -0.543 -12.544 1.00 74.05 H new ATOM 0 HG LEU A 68 11.836 1.679 -12.056 1.00 53.10 H new ATOM 0 HD11 LEU A 68 10.046 -0.009 -12.190 1.00 45.31 H new ATOM 0 HD12 LEU A 68 10.861 0.216 -13.756 1.00 45.31 H new ATOM 0 HD13 LEU A 68 11.229 -1.211 -12.758 1.00 45.31 H new ATOM 0 HD21 LEU A 68 11.283 0.313 -10.082 1.00 72.23 H new ATOM 0 HD22 LEU A 68 12.515 -0.876 -10.566 1.00 72.23 H new ATOM 0 HD23 LEU A 68 13.002 0.773 -10.107 1.00 72.23 H new ATOM 1080 N GLN A 69 16.258 1.482 -14.180 1.00 71.12 N ATOM 1081 CA GLN A 69 17.533 1.087 -14.766 1.00 32.04 C ATOM 1082 C GLN A 69 18.683 1.356 -13.802 1.00 12.31 C ATOM 1083 O GLN A 69 19.579 0.527 -13.640 1.00 72.22 O ATOM 1084 CB GLN A 69 17.769 1.836 -16.080 1.00 24.33 C ATOM 1085 CG GLN A 69 18.680 1.098 -17.046 1.00 35.53 C ATOM 1086 CD GLN A 69 17.962 -0.002 -17.802 1.00 32.53 C ATOM 1087 OE1 GLN A 69 18.348 -1.171 -17.738 1.00 14.33 O ATOM 1088 NE2 GLN A 69 16.910 0.364 -18.525 1.00 53.15 N ATOM 0 H GLN A 69 15.729 2.155 -14.735 1.00 71.12 H new ATOM 0 HA GLN A 69 17.494 0.016 -14.967 1.00 32.04 H new ATOM 0 HB2 GLN A 69 16.809 2.015 -16.564 1.00 24.33 H new ATOM 0 HB3 GLN A 69 18.202 2.812 -15.860 1.00 24.33 H new ATOM 0 HG2 GLN A 69 19.100 1.809 -17.758 1.00 35.53 H new ATOM 0 HG3 GLN A 69 19.516 0.668 -16.494 1.00 35.53 H new ATOM 0 HE21 GLN A 69 16.624 1.343 -18.550 1.00 53.15 H new ATOM 0 HE22 GLN A 69 16.388 -0.334 -19.055 1.00 53.15 H new ATOM 1097 N THR A 70 18.653 2.522 -13.163 1.00 73.42 N ATOM 1098 CA THR A 70 19.693 2.900 -12.215 1.00 31.11 C ATOM 1099 C THR A 70 19.117 3.722 -11.067 1.00 55.01 C ATOM 1100 O THR A 70 19.730 4.688 -10.613 1.00 34.02 O ATOM 1101 CB THR A 70 20.810 3.709 -12.900 1.00 11.01 C ATOM 1102 OG1 THR A 70 20.239 4.732 -13.724 1.00 12.31 O ATOM 1103 CG2 THR A 70 21.692 2.804 -13.747 1.00 73.13 C ATOM 0 H THR A 70 17.920 3.220 -13.285 1.00 73.42 H new ATOM 0 HA THR A 70 20.114 1.975 -11.821 1.00 31.11 H new ATOM 0 HB THR A 70 21.424 4.167 -12.125 1.00 11.01 H new ATOM 0 HG1 THR A 70 20.956 5.243 -14.155 1.00 12.31 H new ATOM 0 HG21 THR A 70 22.474 3.398 -14.221 1.00 73.13 H new ATOM 0 HG22 THR A 70 22.148 2.043 -13.113 1.00 73.13 H new ATOM 0 HG23 THR A 70 21.087 2.321 -14.515 1.00 73.13 H new ATOM 1111 N GLY A 71 17.935 3.332 -10.599 1.00 34.51 N ATOM 1112 CA GLY A 71 17.298 4.043 -9.507 1.00 62.13 C ATOM 1113 C GLY A 71 17.914 3.712 -8.162 1.00 31.02 C ATOM 1114 O GLY A 71 18.216 2.554 -7.878 1.00 23.44 O ATOM 0 H GLY A 71 17.408 2.536 -10.957 1.00 34.51 H new ATOM 0 HA2 GLY A 71 17.373 5.116 -9.683 1.00 62.13 H new ATOM 0 HA3 GLY A 71 16.236 3.797 -9.487 1.00 62.13 H new ATOM 1118 N SER A 72 18.103 4.733 -7.332 1.00 42.41 N ATOM 1119 CA SER A 72 18.692 4.546 -6.012 1.00 11.11 C ATOM 1120 C SER A 72 17.877 3.553 -5.189 1.00 65.33 C ATOM 1121 O SER A 72 16.799 3.127 -5.601 1.00 13.14 O ATOM 1122 CB SER A 72 18.779 5.884 -5.276 1.00 54.44 C ATOM 1123 OG SER A 72 17.505 6.295 -4.810 1.00 55.33 O ATOM 0 H SER A 72 17.857 5.698 -7.551 1.00 42.41 H new ATOM 0 HA SER A 72 19.697 4.144 -6.143 1.00 11.11 H new ATOM 0 HB2 SER A 72 19.466 5.795 -4.434 1.00 54.44 H new ATOM 0 HB3 SER A 72 19.188 6.643 -5.943 1.00 54.44 H new ATOM 0 HG SER A 72 17.589 7.152 -4.342 1.00 55.33 H new ATOM 1129 N GLU A 73 18.402 3.189 -4.023 1.00 11.22 N ATOM 1130 CA GLU A 73 17.724 2.244 -3.143 1.00 44.52 C ATOM 1131 C GLU A 73 16.270 2.655 -2.921 1.00 72.51 C ATOM 1132 O GLU A 73 15.416 1.817 -2.634 1.00 62.00 O ATOM 1133 CB GLU A 73 18.450 2.155 -1.799 1.00 61.50 C ATOM 1134 CG GLU A 73 18.590 0.735 -1.276 1.00 25.32 C ATOM 1135 CD GLU A 73 19.614 0.620 -0.164 1.00 64.20 C ATOM 1136 OE1 GLU A 73 20.695 1.232 -0.288 1.00 12.20 O ATOM 1137 OE2 GLU A 73 19.334 -0.083 0.829 1.00 43.23 O ATOM 0 H GLU A 73 19.293 3.534 -3.666 1.00 11.22 H new ATOM 0 HA GLU A 73 17.739 1.265 -3.622 1.00 44.52 H new ATOM 0 HB2 GLU A 73 19.442 2.595 -1.902 1.00 61.50 H new ATOM 0 HB3 GLU A 73 17.911 2.753 -1.064 1.00 61.50 H new ATOM 0 HG2 GLU A 73 17.623 0.390 -0.911 1.00 25.32 H new ATOM 0 HG3 GLU A 73 18.875 0.076 -2.096 1.00 25.32 H new ATOM 1144 N GLU A 74 16.000 3.949 -3.055 1.00 3.14 N ATOM 1145 CA GLU A 74 14.650 4.471 -2.869 1.00 74.40 C ATOM 1146 C GLU A 74 13.768 4.139 -4.068 1.00 31.33 C ATOM 1147 O GLU A 74 12.700 3.543 -3.923 1.00 61.24 O ATOM 1148 CB GLU A 74 14.691 5.985 -2.653 1.00 2.02 C ATOM 1149 CG GLU A 74 15.259 6.393 -1.305 1.00 43.14 C ATOM 1150 CD GLU A 74 14.905 7.819 -0.930 1.00 32.01 C ATOM 1151 OE1 GLU A 74 13.916 8.348 -1.479 1.00 32.14 O ATOM 1152 OE2 GLU A 74 15.617 8.407 -0.089 1.00 23.50 O ATOM 0 H GLU A 74 16.697 4.655 -3.291 1.00 3.14 H new ATOM 0 HA GLU A 74 14.223 3.997 -1.985 1.00 74.40 H new ATOM 0 HB2 GLU A 74 15.289 6.440 -3.442 1.00 2.02 H new ATOM 0 HB3 GLU A 74 13.681 6.384 -2.748 1.00 2.02 H new ATOM 0 HG2 GLU A 74 14.885 5.716 -0.537 1.00 43.14 H new ATOM 0 HG3 GLU A 74 16.343 6.285 -1.324 1.00 43.14 H new ATOM 1159 N LEU A 75 14.222 4.530 -5.254 1.00 11.14 N ATOM 1160 CA LEU A 75 13.474 4.275 -6.482 1.00 42.34 C ATOM 1161 C LEU A 75 13.152 2.791 -6.625 1.00 75.13 C ATOM 1162 O LEU A 75 12.055 2.421 -7.041 1.00 42.34 O ATOM 1163 CB LEU A 75 14.270 4.757 -7.696 1.00 24.13 C ATOM 1164 CG LEU A 75 13.454 5.078 -8.949 1.00 51.33 C ATOM 1165 CD1 LEU A 75 13.864 6.426 -9.522 1.00 70.34 C ATOM 1166 CD2 LEU A 75 13.621 3.980 -9.989 1.00 3.44 C ATOM 0 H LEU A 75 15.103 5.024 -5.392 1.00 11.14 H new ATOM 0 HA LEU A 75 12.536 4.827 -6.429 1.00 42.34 H new ATOM 0 HB2 LEU A 75 14.826 5.650 -7.410 1.00 24.13 H new ATOM 0 HB3 LEU A 75 15.004 3.993 -7.951 1.00 24.13 H new ATOM 0 HG LEU A 75 12.401 5.130 -8.671 1.00 51.33 H new ATOM 0 HD11 LEU A 75 13.273 6.638 -10.413 1.00 70.34 H new ATOM 0 HD12 LEU A 75 13.692 7.205 -8.779 1.00 70.34 H new ATOM 0 HD13 LEU A 75 14.921 6.403 -9.785 1.00 70.34 H new ATOM 0 HD21 LEU A 75 13.034 4.225 -10.874 1.00 3.44 H new ATOM 0 HD22 LEU A 75 14.673 3.896 -10.263 1.00 3.44 H new ATOM 0 HD23 LEU A 75 13.277 3.032 -9.576 1.00 3.44 H new ATOM 1178 N ARG A 76 14.117 1.946 -6.276 1.00 32.44 N ATOM 1179 CA ARG A 76 13.936 0.502 -6.366 1.00 3.21 C ATOM 1180 C ARG A 76 12.987 0.005 -5.279 1.00 24.43 C ATOM 1181 O ARG A 76 12.145 -0.860 -5.525 1.00 53.12 O ATOM 1182 CB ARG A 76 15.285 -0.211 -6.245 1.00 25.11 C ATOM 1183 CG ARG A 76 15.343 -1.533 -6.993 1.00 71.43 C ATOM 1184 CD ARG A 76 15.648 -2.690 -6.054 1.00 53.13 C ATOM 1185 NE ARG A 76 15.159 -3.963 -6.578 1.00 43.21 N ATOM 1186 CZ ARG A 76 15.380 -5.133 -5.990 1.00 64.22 C ATOM 1187 NH1 ARG A 76 16.079 -5.192 -4.864 1.00 22.20 N ATOM 1188 NH2 ARG A 76 14.901 -6.248 -6.527 1.00 40.14 N ATOM 0 H ARG A 76 15.031 2.236 -5.929 1.00 32.44 H new ATOM 0 HA ARG A 76 13.499 0.275 -7.338 1.00 3.21 H new ATOM 0 HB2 ARG A 76 16.069 0.445 -6.623 1.00 25.11 H new ATOM 0 HB3 ARG A 76 15.499 -0.389 -5.191 1.00 25.11 H new ATOM 0 HG2 ARG A 76 14.392 -1.711 -7.495 1.00 71.43 H new ATOM 0 HG3 ARG A 76 16.107 -1.481 -7.768 1.00 71.43 H new ATOM 0 HD2 ARG A 76 16.724 -2.753 -5.894 1.00 53.13 H new ATOM 0 HD3 ARG A 76 15.192 -2.499 -5.083 1.00 53.13 H new ATOM 0 HE ARG A 76 14.618 -3.953 -7.443 1.00 43.21 H new ATOM 0 HH11 ARG A 76 16.448 -4.337 -4.448 1.00 22.20 H new ATOM 0 HH12 ARG A 76 16.247 -6.092 -4.415 1.00 22.20 H new ATOM 0 HH21 ARG A 76 14.362 -6.207 -7.392 1.00 40.14 H new ATOM 0 HH22 ARG A 76 15.071 -7.146 -6.074 1.00 40.14 H new ATOM 1202 N SER A 77 13.129 0.556 -4.079 1.00 50.32 N ATOM 1203 CA SER A 77 12.287 0.165 -2.953 1.00 54.40 C ATOM 1204 C SER A 77 10.845 0.608 -3.176 1.00 42.25 C ATOM 1205 O SER A 77 9.914 0.046 -2.596 1.00 52.42 O ATOM 1206 CB SER A 77 12.824 0.769 -1.654 1.00 53.11 C ATOM 1207 OG SER A 77 13.952 0.050 -1.185 1.00 44.21 O ATOM 0 H SER A 77 13.819 1.275 -3.860 1.00 50.32 H new ATOM 0 HA SER A 77 12.307 -0.922 -2.875 1.00 54.40 H new ATOM 0 HB2 SER A 77 13.096 1.811 -1.819 1.00 53.11 H new ATOM 0 HB3 SER A 77 12.042 0.760 -0.895 1.00 53.11 H new ATOM 0 HG SER A 77 14.770 0.460 -1.536 1.00 44.21 H new ATOM 1213 N LEU A 78 10.665 1.619 -4.018 1.00 32.03 N ATOM 1214 CA LEU A 78 9.336 2.139 -4.318 1.00 1.34 C ATOM 1215 C LEU A 78 8.610 1.238 -5.312 1.00 52.34 C ATOM 1216 O LEU A 78 7.566 0.666 -4.999 1.00 2.00 O ATOM 1217 CB LEU A 78 9.436 3.558 -4.879 1.00 41.44 C ATOM 1218 CG LEU A 78 8.915 4.676 -3.975 1.00 53.13 C ATOM 1219 CD1 LEU A 78 7.502 4.367 -3.506 1.00 43.44 C ATOM 1220 CD2 LEU A 78 9.842 4.875 -2.784 1.00 2.21 C ATOM 0 H LEU A 78 11.424 2.096 -4.506 1.00 32.03 H new ATOM 0 HA LEU A 78 8.764 2.161 -3.390 1.00 1.34 H new ATOM 0 HB2 LEU A 78 10.481 3.763 -5.110 1.00 41.44 H new ATOM 0 HB3 LEU A 78 8.888 3.594 -5.821 1.00 41.44 H new ATOM 0 HG LEU A 78 8.892 5.601 -4.550 1.00 53.13 H new ATOM 0 HD11 LEU A 78 7.147 5.173 -2.864 1.00 43.44 H new ATOM 0 HD12 LEU A 78 6.844 4.275 -4.370 1.00 43.44 H new ATOM 0 HD13 LEU A 78 7.501 3.431 -2.948 1.00 43.44 H new ATOM 0 HD21 LEU A 78 9.456 5.674 -2.152 1.00 2.21 H new ATOM 0 HD22 LEU A 78 9.898 3.951 -2.208 1.00 2.21 H new ATOM 0 HD23 LEU A 78 10.838 5.142 -3.138 1.00 2.21 H new ATOM 1232 N TYR A 79 9.172 1.115 -6.510 1.00 64.15 N ATOM 1233 CA TYR A 79 8.578 0.283 -7.549 1.00 23.03 C ATOM 1234 C TYR A 79 8.166 -1.076 -6.991 1.00 33.10 C ATOM 1235 O TYR A 79 7.076 -1.571 -7.274 1.00 34.10 O ATOM 1236 CB TYR A 79 9.562 0.095 -8.705 1.00 72.42 C ATOM 1237 CG TYR A 79 8.930 -0.483 -9.951 1.00 20.21 C ATOM 1238 CD1 TYR A 79 8.277 0.333 -10.866 1.00 44.33 C ATOM 1239 CD2 TYR A 79 8.984 -1.847 -10.212 1.00 20.35 C ATOM 1240 CE1 TYR A 79 7.697 -0.191 -12.005 1.00 2.21 C ATOM 1241 CE2 TYR A 79 8.409 -2.379 -11.350 1.00 4.02 C ATOM 1242 CZ TYR A 79 7.766 -1.547 -12.243 1.00 21.33 C ATOM 1243 OH TYR A 79 7.190 -2.074 -13.376 1.00 32.23 O ATOM 0 H TYR A 79 10.037 1.580 -6.785 1.00 64.15 H new ATOM 0 HA TYR A 79 7.686 0.789 -7.918 1.00 23.03 H new ATOM 0 HB2 TYR A 79 10.011 1.058 -8.949 1.00 72.42 H new ATOM 0 HB3 TYR A 79 10.370 -0.561 -8.380 1.00 72.42 H new ATOM 0 HD1 TYR A 79 8.222 1.396 -10.684 1.00 44.33 H new ATOM 0 HD2 TYR A 79 9.484 -2.502 -9.514 1.00 20.35 H new ATOM 0 HE1 TYR A 79 7.192 0.458 -12.705 1.00 2.21 H new ATOM 0 HE2 TYR A 79 8.463 -3.441 -11.540 1.00 4.02 H new ATOM 0 HH TYR A 79 7.329 -3.044 -13.393 1.00 32.23 H new ATOM 1253 N ASN A 80 9.048 -1.673 -6.196 1.00 44.02 N ATOM 1254 CA ASN A 80 8.777 -2.976 -5.597 1.00 50.21 C ATOM 1255 C ASN A 80 7.453 -2.961 -4.839 1.00 71.22 C ATOM 1256 O ASN A 80 6.499 -3.642 -5.219 1.00 74.44 O ATOM 1257 CB ASN A 80 9.913 -3.371 -4.653 1.00 74.11 C ATOM 1258 CG ASN A 80 11.065 -4.036 -5.382 1.00 73.02 C ATOM 1259 OD1 ASN A 80 11.473 -3.451 -6.502 1.00 15.01 O flip ATOM 1260 ND2 ASN A 80 11.582 -5.064 -4.942 1.00 53.44 N flip ATOM 0 H ASN A 80 9.955 -1.276 -5.952 1.00 44.02 H new ATOM 0 HA ASN A 80 8.708 -3.710 -6.399 1.00 50.21 H new ATOM 0 HB2 ASN A 80 10.278 -2.483 -4.136 1.00 74.11 H new ATOM 0 HB3 ASN A 80 9.529 -4.049 -3.891 1.00 74.11 H new ATOM 0 HD21 ASN A 80 11.236 -5.479 -4.077 1.00 53.44 H new ATOM 0 HD22 ASN A 80 12.356 -5.500 -5.443 1.00 53.44 H new ATOM 1267 N THR A 81 7.400 -2.179 -3.765 1.00 32.52 N ATOM 1268 CA THR A 81 6.195 -2.076 -2.953 1.00 5.02 C ATOM 1269 C THR A 81 4.996 -1.664 -3.799 1.00 24.03 C ATOM 1270 O THR A 81 3.974 -2.350 -3.821 1.00 64.03 O ATOM 1271 CB THR A 81 6.373 -1.061 -1.809 1.00 52.32 C ATOM 1272 OG1 THR A 81 7.440 -1.476 -0.948 1.00 42.20 O ATOM 1273 CG2 THR A 81 5.090 -0.922 -1.003 1.00 14.32 C ATOM 0 H THR A 81 8.179 -1.607 -3.438 1.00 32.52 H new ATOM 0 HA THR A 81 6.015 -3.064 -2.528 1.00 5.02 H new ATOM 0 HB THR A 81 6.615 -0.093 -2.247 1.00 52.32 H new ATOM 0 HG1 THR A 81 8.290 -1.128 -1.290 1.00 42.20 H new ATOM 0 HG21 THR A 81 5.241 -0.200 -0.201 1.00 14.32 H new ATOM 0 HG22 THR A 81 4.286 -0.578 -1.654 1.00 14.32 H new ATOM 0 HG23 THR A 81 4.822 -1.888 -0.576 1.00 14.32 H new ATOM 1281 N ILE A 82 5.128 -0.540 -4.497 1.00 45.21 N ATOM 1282 CA ILE A 82 4.054 -0.039 -5.346 1.00 1.22 C ATOM 1283 C ILE A 82 3.472 -1.151 -6.211 1.00 60.32 C ATOM 1284 O ILE A 82 2.255 -1.285 -6.331 1.00 65.44 O ATOM 1285 CB ILE A 82 4.544 1.102 -6.258 1.00 72.25 C ATOM 1286 CG1 ILE A 82 5.033 2.282 -5.417 1.00 41.32 C ATOM 1287 CG2 ILE A 82 3.435 1.540 -7.202 1.00 64.55 C ATOM 1288 CD1 ILE A 82 5.802 3.314 -6.212 1.00 33.23 C ATOM 0 H ILE A 82 5.967 0.040 -4.491 1.00 45.21 H new ATOM 0 HA ILE A 82 3.279 0.344 -4.682 1.00 1.22 H new ATOM 0 HB ILE A 82 5.379 0.736 -6.856 1.00 72.25 H new ATOM 0 HG12 ILE A 82 4.175 2.763 -4.947 1.00 41.32 H new ATOM 0 HG13 ILE A 82 5.668 1.907 -4.614 1.00 41.32 H new ATOM 0 HG21 ILE A 82 3.797 2.347 -7.839 1.00 64.55 H new ATOM 0 HG22 ILE A 82 3.130 0.697 -7.822 1.00 64.55 H new ATOM 0 HG23 ILE A 82 2.581 1.891 -6.622 1.00 64.55 H new ATOM 0 HD11 ILE A 82 6.117 4.121 -5.551 1.00 33.23 H new ATOM 0 HD12 ILE A 82 6.680 2.848 -6.660 1.00 33.23 H new ATOM 0 HD13 ILE A 82 5.164 3.717 -6.998 1.00 33.23 H new ATOM 1300 N ALA A 83 4.350 -1.948 -6.810 1.00 70.31 N ATOM 1301 CA ALA A 83 3.924 -3.052 -7.660 1.00 24.45 C ATOM 1302 C ALA A 83 2.928 -3.951 -6.935 1.00 24.41 C ATOM 1303 O ALA A 83 1.846 -4.239 -7.449 1.00 0.03 O ATOM 1304 CB ALA A 83 5.128 -3.861 -8.120 1.00 3.12 C ATOM 0 H ALA A 83 5.361 -1.849 -6.722 1.00 70.31 H new ATOM 0 HA ALA A 83 3.427 -2.632 -8.534 1.00 24.45 H new ATOM 0 HB1 ALA A 83 4.794 -4.682 -8.754 1.00 3.12 H new ATOM 0 HB2 ALA A 83 5.804 -3.219 -8.684 1.00 3.12 H new ATOM 0 HB3 ALA A 83 5.650 -4.263 -7.251 1.00 3.12 H new ATOM 1310 N VAL A 84 3.298 -4.393 -5.738 1.00 52.33 N ATOM 1311 CA VAL A 84 2.437 -5.259 -4.942 1.00 71.42 C ATOM 1312 C VAL A 84 1.052 -4.646 -4.766 1.00 14.15 C ATOM 1313 O VAL A 84 0.037 -5.320 -4.941 1.00 64.51 O ATOM 1314 CB VAL A 84 3.045 -5.531 -3.552 1.00 23.45 C ATOM 1315 CG1 VAL A 84 2.172 -6.500 -2.768 1.00 0.44 C ATOM 1316 CG2 VAL A 84 4.462 -6.068 -3.687 1.00 11.31 C ATOM 0 H VAL A 84 4.189 -4.165 -5.298 1.00 52.33 H new ATOM 0 HA VAL A 84 2.349 -6.201 -5.483 1.00 71.42 H new ATOM 0 HB VAL A 84 3.087 -4.591 -3.002 1.00 23.45 H new ATOM 0 HG11 VAL A 84 2.617 -6.680 -1.789 1.00 0.44 H new ATOM 0 HG12 VAL A 84 1.177 -6.073 -2.641 1.00 0.44 H new ATOM 0 HG13 VAL A 84 2.096 -7.442 -3.311 1.00 0.44 H new ATOM 0 HG21 VAL A 84 4.876 -6.255 -2.696 1.00 11.31 H new ATOM 0 HG22 VAL A 84 4.446 -6.998 -4.255 1.00 11.31 H new ATOM 0 HG23 VAL A 84 5.080 -5.336 -4.207 1.00 11.31 H new ATOM 1326 N LEU A 85 1.018 -3.364 -4.422 1.00 52.43 N ATOM 1327 CA LEU A 85 -0.242 -2.658 -4.223 1.00 3.33 C ATOM 1328 C LEU A 85 -1.068 -2.648 -5.506 1.00 61.02 C ATOM 1329 O LEU A 85 -2.251 -2.990 -5.497 1.00 24.13 O ATOM 1330 CB LEU A 85 0.020 -1.223 -3.762 1.00 34.13 C ATOM 1331 CG LEU A 85 -1.169 -0.265 -3.838 1.00 23.22 C ATOM 1332 CD1 LEU A 85 -2.284 -0.723 -2.910 1.00 52.33 C ATOM 1333 CD2 LEU A 85 -0.735 1.153 -3.495 1.00 63.44 C ATOM 0 H LEU A 85 1.849 -2.792 -4.275 1.00 52.43 H new ATOM 0 HA LEU A 85 -0.806 -3.183 -3.452 1.00 3.33 H new ATOM 0 HB2 LEU A 85 0.371 -1.253 -2.731 1.00 34.13 H new ATOM 0 HB3 LEU A 85 0.831 -0.812 -4.363 1.00 34.13 H new ATOM 0 HG LEU A 85 -1.550 -0.270 -4.859 1.00 23.22 H new ATOM 0 HD11 LEU A 85 -3.122 -0.029 -2.978 1.00 52.33 H new ATOM 0 HD12 LEU A 85 -2.614 -1.720 -3.202 1.00 52.33 H new ATOM 0 HD13 LEU A 85 -1.916 -0.749 -1.884 1.00 52.33 H new ATOM 0 HD21 LEU A 85 -1.594 1.821 -3.554 1.00 63.44 H new ATOM 0 HD22 LEU A 85 -0.328 1.174 -2.484 1.00 63.44 H new ATOM 0 HD23 LEU A 85 0.028 1.481 -4.201 1.00 63.44 H new ATOM 1345 N TYR A 86 -0.438 -2.256 -6.607 1.00 54.01 N ATOM 1346 CA TYR A 86 -1.114 -2.202 -7.897 1.00 15.44 C ATOM 1347 C TYR A 86 -1.963 -3.449 -8.121 1.00 61.04 C ATOM 1348 O TYR A 86 -3.162 -3.357 -8.388 1.00 32.43 O ATOM 1349 CB TYR A 86 -0.092 -2.059 -9.027 1.00 73.23 C ATOM 1350 CG TYR A 86 -0.667 -2.319 -10.401 1.00 13.10 C ATOM 1351 CD1 TYR A 86 -1.752 -1.588 -10.870 1.00 14.15 C ATOM 1352 CD2 TYR A 86 -0.126 -3.294 -11.230 1.00 74.01 C ATOM 1353 CE1 TYR A 86 -2.281 -1.823 -12.125 1.00 43.44 C ATOM 1354 CE2 TYR A 86 -0.648 -3.534 -12.486 1.00 1.11 C ATOM 1355 CZ TYR A 86 -1.725 -2.796 -12.928 1.00 1.23 C ATOM 1356 OH TYR A 86 -2.250 -3.031 -14.179 1.00 15.21 O ATOM 0 H TYR A 86 0.541 -1.971 -6.632 1.00 54.01 H new ATOM 0 HA TYR A 86 -1.771 -1.332 -7.897 1.00 15.44 H new ATOM 0 HB2 TYR A 86 0.326 -1.053 -9.002 1.00 73.23 H new ATOM 0 HB3 TYR A 86 0.732 -2.751 -8.850 1.00 73.23 H new ATOM 0 HD1 TYR A 86 -2.189 -0.824 -10.244 1.00 14.15 H new ATOM 0 HD2 TYR A 86 0.717 -3.874 -10.886 1.00 74.01 H new ATOM 0 HE1 TYR A 86 -3.125 -1.248 -12.475 1.00 43.44 H new ATOM 0 HE2 TYR A 86 -0.215 -4.295 -13.118 1.00 1.11 H new ATOM 0 HH TYR A 86 -1.744 -3.747 -14.617 1.00 15.21 H new ATOM 1366 N CYS A 87 -1.335 -4.613 -8.007 1.00 72.44 N ATOM 1367 CA CYS A 87 -2.031 -5.880 -8.195 1.00 25.45 C ATOM 1368 C CYS A 87 -3.093 -6.082 -7.119 1.00 20.22 C ATOM 1369 O CYS A 87 -4.147 -6.666 -7.373 1.00 71.11 O ATOM 1370 CB CYS A 87 -1.037 -7.042 -8.172 1.00 21.54 C ATOM 1371 SG CYS A 87 -0.185 -7.315 -9.744 1.00 64.35 S ATOM 0 H CYS A 87 -0.344 -4.706 -7.785 1.00 72.44 H new ATOM 0 HA CYS A 87 -2.524 -5.854 -9.167 1.00 25.45 H new ATOM 0 HB2 CYS A 87 -0.295 -6.856 -7.396 1.00 21.54 H new ATOM 0 HB3 CYS A 87 -1.566 -7.954 -7.895 1.00 21.54 H new ATOM 0 HG CYS A 87 0.636 -8.316 -9.625 1.00 64.35 H new ATOM 1377 N VAL A 88 -2.807 -5.598 -5.914 1.00 20.15 N ATOM 1378 CA VAL A 88 -3.737 -5.726 -4.799 1.00 51.24 C ATOM 1379 C VAL A 88 -5.037 -4.981 -5.079 1.00 41.55 C ATOM 1380 O VAL A 88 -6.104 -5.372 -4.604 1.00 32.30 O ATOM 1381 CB VAL A 88 -3.122 -5.190 -3.492 1.00 11.44 C ATOM 1382 CG1 VAL A 88 -4.179 -5.097 -2.403 1.00 21.00 C ATOM 1383 CG2 VAL A 88 -1.964 -6.070 -3.048 1.00 33.12 C ATOM 0 H VAL A 88 -1.939 -5.114 -5.686 1.00 20.15 H new ATOM 0 HA VAL A 88 -3.949 -6.789 -4.684 1.00 51.24 H new ATOM 0 HB VAL A 88 -2.736 -4.187 -3.677 1.00 11.44 H new ATOM 0 HG11 VAL A 88 -3.726 -4.717 -1.488 1.00 21.00 H new ATOM 0 HG12 VAL A 88 -4.973 -4.422 -2.723 1.00 21.00 H new ATOM 0 HG13 VAL A 88 -4.597 -6.086 -2.217 1.00 21.00 H new ATOM 0 HG21 VAL A 88 -1.542 -5.677 -2.123 1.00 33.12 H new ATOM 0 HG22 VAL A 88 -2.322 -7.086 -2.880 1.00 33.12 H new ATOM 0 HG23 VAL A 88 -1.197 -6.080 -3.822 1.00 33.12 H new ATOM 1393 N HIS A 89 -4.941 -3.904 -5.853 1.00 51.44 N ATOM 1394 CA HIS A 89 -6.110 -3.103 -6.198 1.00 63.32 C ATOM 1395 C HIS A 89 -6.885 -3.741 -7.348 1.00 71.02 C ATOM 1396 O HIS A 89 -8.104 -3.571 -7.371 1.00 13.20 O ATOM 1397 CB HIS A 89 -5.689 -1.683 -6.578 1.00 21.43 C ATOM 1398 CG HIS A 89 -5.502 -0.778 -5.399 1.00 75.24 C ATOM 1399 ND1 HIS A 89 -6.383 -0.730 -4.339 1.00 11.43 N ATOM 1400 CD2 HIS A 89 -4.526 0.116 -5.115 1.00 73.21 C ATOM 1401 CE1 HIS A 89 -5.957 0.155 -3.456 1.00 1.43 C ATOM 1402 NE2 HIS A 89 -4.832 0.682 -3.903 1.00 15.32 N ATOM 0 H HIS A 89 -4.066 -3.566 -6.253 1.00 51.44 H new ATOM 0 HA HIS A 89 -6.760 -3.059 -5.324 1.00 63.32 H new ATOM 0 HB2 HIS A 89 -4.758 -1.728 -7.143 1.00 21.43 H new ATOM 0 HB3 HIS A 89 -6.442 -1.254 -7.239 1.00 21.43 H new ATOM 0 HD2 HIS A 89 -3.666 0.342 -5.728 1.00 73.21 H new ATOM 0 HE1 HIS A 89 -6.446 0.405 -2.526 1.00 1.43 H new ATOM 0 HE2 HIS A 89 -4.280 1.394 -3.425 1.00 15.32 H new ATOM 1411 N GLN A 90 -6.234 -4.446 -8.268 1.00 55.51 N ATOM 1412 CA GLN A 90 -6.931 -5.072 -9.385 1.00 63.44 C ATOM 1413 C GLN A 90 -7.374 -6.487 -9.025 1.00 41.41 C ATOM 1414 O GLN A 90 -7.543 -7.336 -9.899 1.00 23.22 O ATOM 1415 CB GLN A 90 -6.032 -5.106 -10.621 1.00 54.34 C ATOM 1416 CG GLN A 90 -6.558 -4.273 -11.779 1.00 50.11 C ATOM 1417 CD GLN A 90 -7.894 -4.769 -12.295 1.00 70.32 C ATOM 1418 OE1 GLN A 90 -8.922 -4.116 -12.117 1.00 21.24 O ATOM 1419 NE2 GLN A 90 -7.886 -5.931 -12.939 1.00 15.31 N ATOM 0 H GLN A 90 -5.225 -4.598 -8.262 1.00 55.51 H new ATOM 0 HA GLN A 90 -7.817 -4.478 -9.606 1.00 63.44 H new ATOM 0 HB2 GLN A 90 -5.039 -4.748 -10.348 1.00 54.34 H new ATOM 0 HB3 GLN A 90 -5.919 -6.139 -10.949 1.00 54.34 H new ATOM 0 HG2 GLN A 90 -6.659 -3.236 -11.459 1.00 50.11 H new ATOM 0 HG3 GLN A 90 -5.831 -4.287 -12.591 1.00 50.11 H new ATOM 0 HE21 GLN A 90 -7.010 -6.439 -13.064 1.00 15.31 H new ATOM 0 HE22 GLN A 90 -8.756 -6.315 -13.309 1.00 15.31 H new ATOM 1428 N ARG A 91 -7.561 -6.733 -7.732 1.00 54.44 N ATOM 1429 CA ARG A 91 -7.983 -8.045 -7.256 1.00 55.51 C ATOM 1430 C ARG A 91 -7.027 -9.131 -7.741 1.00 3.12 C ATOM 1431 O ARG A 91 -7.411 -10.294 -7.875 1.00 51.15 O ATOM 1432 CB ARG A 91 -9.403 -8.350 -7.732 1.00 21.12 C ATOM 1433 CG ARG A 91 -10.109 -9.409 -6.902 1.00 70.32 C ATOM 1434 CD ARG A 91 -11.099 -8.786 -5.930 1.00 62.45 C ATOM 1435 NE ARG A 91 -11.457 -9.703 -4.850 1.00 21.43 N ATOM 1436 CZ ARG A 91 -11.993 -9.310 -3.700 1.00 20.12 C ATOM 1437 NH1 ARG A 91 -12.233 -8.025 -3.481 1.00 22.02 N ATOM 1438 NH2 ARG A 91 -12.292 -10.205 -2.767 1.00 72.25 N ATOM 0 H ARG A 91 -7.427 -6.040 -6.995 1.00 54.44 H new ATOM 0 HA ARG A 91 -7.968 -8.032 -6.166 1.00 55.51 H new ATOM 0 HB2 ARG A 91 -9.990 -7.432 -7.709 1.00 21.12 H new ATOM 0 HB3 ARG A 91 -9.366 -8.679 -8.770 1.00 21.12 H new ATOM 0 HG2 ARG A 91 -10.632 -10.101 -7.562 1.00 70.32 H new ATOM 0 HG3 ARG A 91 -9.372 -9.991 -6.349 1.00 70.32 H new ATOM 0 HD2 ARG A 91 -10.669 -7.878 -5.507 1.00 62.45 H new ATOM 0 HD3 ARG A 91 -12.000 -8.491 -6.469 1.00 62.45 H new ATOM 0 HE ARG A 91 -11.286 -10.699 -4.987 1.00 21.43 H new ATOM 0 HH11 ARG A 91 -12.006 -7.335 -4.197 1.00 22.02 H new ATOM 0 HH12 ARG A 91 -12.645 -7.727 -2.597 1.00 22.02 H new ATOM 0 HH21 ARG A 91 -12.110 -11.195 -2.933 1.00 72.25 H new ATOM 0 HH22 ARG A 91 -12.704 -9.903 -1.884 1.00 72.25 H new ATOM 1452 N ILE A 92 -5.783 -8.744 -8.004 1.00 44.23 N ATOM 1453 CA ILE A 92 -4.774 -9.685 -8.473 1.00 23.11 C ATOM 1454 C ILE A 92 -4.021 -10.312 -7.304 1.00 0.44 C ATOM 1455 O ILE A 92 -3.325 -9.622 -6.560 1.00 4.42 O ATOM 1456 CB ILE A 92 -3.763 -9.005 -9.415 1.00 3.43 C ATOM 1457 CG1 ILE A 92 -4.474 -8.475 -10.663 1.00 55.21 C ATOM 1458 CG2 ILE A 92 -2.659 -9.977 -9.800 1.00 24.11 C ATOM 1459 CD1 ILE A 92 -3.615 -7.554 -11.501 1.00 32.24 C ATOM 0 H ILE A 92 -5.450 -7.785 -7.900 1.00 44.23 H new ATOM 0 HA ILE A 92 -5.302 -10.465 -9.022 1.00 23.11 H new ATOM 0 HB ILE A 92 -3.310 -8.163 -8.891 1.00 3.43 H new ATOM 0 HG12 ILE A 92 -4.793 -9.318 -11.275 1.00 55.21 H new ATOM 0 HG13 ILE A 92 -5.375 -7.942 -10.359 1.00 55.21 H new ATOM 0 HG21 ILE A 92 -1.953 -9.481 -10.466 1.00 24.11 H new ATOM 0 HG22 ILE A 92 -2.138 -10.310 -8.902 1.00 24.11 H new ATOM 0 HG23 ILE A 92 -3.093 -10.838 -10.308 1.00 24.11 H new ATOM 0 HD11 ILE A 92 -4.182 -7.217 -12.368 1.00 32.24 H new ATOM 0 HD12 ILE A 92 -3.317 -6.692 -10.905 1.00 32.24 H new ATOM 0 HD13 ILE A 92 -2.726 -8.089 -11.835 1.00 32.24 H new ATOM 1471 N ASP A 93 -4.162 -11.623 -7.152 1.00 61.11 N ATOM 1472 CA ASP A 93 -3.493 -12.344 -6.075 1.00 22.42 C ATOM 1473 C ASP A 93 -2.091 -12.773 -6.498 1.00 51.41 C ATOM 1474 O ASP A 93 -1.928 -13.637 -7.360 1.00 73.35 O ATOM 1475 CB ASP A 93 -4.312 -13.570 -5.666 1.00 11.02 C ATOM 1476 CG ASP A 93 -4.761 -14.391 -6.859 1.00 10.12 C ATOM 1477 OD1 ASP A 93 -5.731 -13.980 -7.532 1.00 44.34 O ATOM 1478 OD2 ASP A 93 -4.142 -15.443 -7.121 1.00 12.24 O ATOM 0 H ASP A 93 -4.733 -12.209 -7.761 1.00 61.11 H new ATOM 0 HA ASP A 93 -3.407 -11.673 -5.221 1.00 22.42 H new ATOM 0 HB2 ASP A 93 -3.716 -14.196 -5.001 1.00 11.02 H new ATOM 0 HB3 ASP A 93 -5.186 -13.247 -5.101 1.00 11.02 H new ATOM 1483 N VAL A 94 -1.081 -12.161 -5.887 1.00 22.32 N ATOM 1484 CA VAL A 94 0.307 -12.479 -6.200 1.00 63.34 C ATOM 1485 C VAL A 94 0.884 -13.469 -5.194 1.00 21.53 C ATOM 1486 O VAL A 94 0.324 -13.676 -4.118 1.00 3.20 O ATOM 1487 CB VAL A 94 1.183 -11.212 -6.216 1.00 61.32 C ATOM 1488 CG1 VAL A 94 0.840 -10.341 -7.415 1.00 64.21 C ATOM 1489 CG2 VAL A 94 1.020 -10.435 -4.918 1.00 44.20 C ATOM 0 H VAL A 94 -1.198 -11.442 -5.173 1.00 22.32 H new ATOM 0 HA VAL A 94 0.313 -12.929 -7.193 1.00 63.34 H new ATOM 0 HB VAL A 94 2.227 -11.514 -6.303 1.00 61.32 H new ATOM 0 HG11 VAL A 94 1.469 -9.451 -7.410 1.00 64.21 H new ATOM 0 HG12 VAL A 94 1.013 -10.902 -8.333 1.00 64.21 H new ATOM 0 HG13 VAL A 94 -0.208 -10.046 -7.362 1.00 64.21 H new ATOM 0 HG21 VAL A 94 1.646 -9.543 -4.947 1.00 44.20 H new ATOM 0 HG22 VAL A 94 -0.023 -10.142 -4.798 1.00 44.20 H new ATOM 0 HG23 VAL A 94 1.320 -11.062 -4.078 1.00 44.20 H new ATOM 1499 N LYS A 95 2.008 -14.081 -5.553 1.00 41.41 N ATOM 1500 CA LYS A 95 2.664 -15.049 -4.682 1.00 14.24 C ATOM 1501 C LYS A 95 3.868 -14.424 -3.984 1.00 34.44 C ATOM 1502 O LYS A 95 4.384 -14.970 -3.009 1.00 72.54 O ATOM 1503 CB LYS A 95 3.106 -16.272 -5.488 1.00 63.03 C ATOM 1504 CG LYS A 95 2.234 -17.496 -5.263 1.00 1.12 C ATOM 1505 CD LYS A 95 1.564 -17.946 -6.551 1.00 72.31 C ATOM 1506 CE LYS A 95 0.281 -17.173 -6.813 1.00 74.02 C ATOM 1507 NZ LYS A 95 -0.761 -18.027 -7.448 1.00 31.21 N ATOM 0 H LYS A 95 2.483 -13.923 -6.442 1.00 41.41 H new ATOM 0 HA LYS A 95 1.948 -15.362 -3.922 1.00 14.24 H new ATOM 0 HB2 LYS A 95 3.098 -16.020 -6.548 1.00 63.03 H new ATOM 0 HB3 LYS A 95 4.136 -16.517 -5.226 1.00 63.03 H new ATOM 0 HG2 LYS A 95 2.841 -18.309 -4.864 1.00 1.12 H new ATOM 0 HG3 LYS A 95 1.474 -17.270 -4.516 1.00 1.12 H new ATOM 0 HD2 LYS A 95 2.250 -17.808 -7.387 1.00 72.31 H new ATOM 0 HD3 LYS A 95 1.342 -19.012 -6.494 1.00 72.31 H new ATOM 0 HE2 LYS A 95 -0.100 -16.773 -5.873 1.00 74.02 H new ATOM 0 HE3 LYS A 95 0.495 -16.321 -7.458 1.00 74.02 H new ATOM 0 HZ1 LYS A 95 -1.620 -17.464 -7.610 1.00 31.21 H new ATOM 0 HZ2 LYS A 95 -0.407 -18.389 -8.357 1.00 31.21 H new ATOM 0 HZ3 LYS A 95 -0.984 -18.826 -6.821 1.00 31.21 H new ATOM 1521 N ASP A 96 4.310 -13.278 -4.489 1.00 52.55 N ATOM 1522 CA ASP A 96 5.452 -12.578 -3.912 1.00 3.00 C ATOM 1523 C ASP A 96 5.779 -11.321 -4.711 1.00 43.41 C ATOM 1524 O ASP A 96 5.127 -11.020 -5.712 1.00 71.43 O ATOM 1525 CB ASP A 96 6.672 -13.499 -3.866 1.00 60.11 C ATOM 1526 CG ASP A 96 6.933 -14.182 -5.195 1.00 42.43 C ATOM 1527 OD1 ASP A 96 6.938 -13.482 -6.229 1.00 32.21 O ATOM 1528 OD2 ASP A 96 7.132 -15.414 -5.199 1.00 13.10 O ATOM 0 H ASP A 96 3.895 -12.814 -5.297 1.00 52.55 H new ATOM 0 HA ASP A 96 5.190 -12.283 -2.896 1.00 3.00 H new ATOM 0 HB2 ASP A 96 7.550 -12.920 -3.580 1.00 60.11 H new ATOM 0 HB3 ASP A 96 6.524 -14.255 -3.095 1.00 60.11 H new ATOM 1533 N THR A 97 6.792 -10.586 -4.261 1.00 31.12 N ATOM 1534 CA THR A 97 7.204 -9.360 -4.932 1.00 52.55 C ATOM 1535 C THR A 97 7.969 -9.665 -6.215 1.00 23.03 C ATOM 1536 O THR A 97 8.271 -8.765 -6.998 1.00 33.04 O ATOM 1537 CB THR A 97 8.086 -8.488 -4.018 1.00 31.22 C ATOM 1538 OG1 THR A 97 7.538 -8.455 -2.695 1.00 21.32 O ATOM 1539 CG2 THR A 97 8.197 -7.073 -4.562 1.00 14.43 C ATOM 0 H THR A 97 7.342 -10.819 -3.434 1.00 31.12 H new ATOM 0 HA THR A 97 6.293 -8.813 -5.176 1.00 52.55 H new ATOM 0 HB THR A 97 9.083 -8.927 -3.987 1.00 31.22 H new ATOM 0 HG1 THR A 97 7.389 -7.525 -2.426 1.00 21.32 H new ATOM 0 HG21 THR A 97 8.824 -6.477 -3.900 1.00 14.43 H new ATOM 0 HG22 THR A 97 8.642 -7.099 -5.557 1.00 14.43 H new ATOM 0 HG23 THR A 97 7.204 -6.627 -4.620 1.00 14.43 H new ATOM 1547 N LYS A 98 8.277 -10.941 -6.425 1.00 52.10 N ATOM 1548 CA LYS A 98 9.005 -11.366 -7.615 1.00 24.22 C ATOM 1549 C LYS A 98 8.094 -11.364 -8.839 1.00 72.13 C ATOM 1550 O LYS A 98 8.492 -10.929 -9.919 1.00 53.12 O ATOM 1551 CB LYS A 98 9.592 -12.763 -7.406 1.00 74.54 C ATOM 1552 CG LYS A 98 10.741 -13.087 -8.345 1.00 54.40 C ATOM 1553 CD LYS A 98 10.617 -14.490 -8.915 1.00 41.12 C ATOM 1554 CE LYS A 98 11.196 -14.575 -10.319 1.00 63.21 C ATOM 1555 NZ LYS A 98 12.224 -15.646 -10.431 1.00 22.13 N ATOM 0 H LYS A 98 8.034 -11.698 -5.787 1.00 52.10 H new ATOM 0 HA LYS A 98 9.817 -10.659 -7.786 1.00 24.22 H new ATOM 0 HB2 LYS A 98 9.939 -12.852 -6.377 1.00 74.54 H new ATOM 0 HB3 LYS A 98 8.803 -13.503 -7.541 1.00 74.54 H new ATOM 0 HG2 LYS A 98 10.762 -12.363 -9.160 1.00 54.40 H new ATOM 0 HG3 LYS A 98 11.686 -12.993 -7.811 1.00 54.40 H new ATOM 0 HD2 LYS A 98 11.134 -15.195 -8.264 1.00 41.12 H new ATOM 0 HD3 LYS A 98 9.568 -14.784 -8.935 1.00 41.12 H new ATOM 0 HE2 LYS A 98 10.394 -14.766 -11.032 1.00 63.21 H new ATOM 0 HE3 LYS A 98 11.640 -13.616 -10.588 1.00 63.21 H new ATOM 0 HZ1 LYS A 98 12.594 -15.672 -11.403 1.00 22.13 H new ATOM 0 HZ2 LYS A 98 13.002 -15.451 -9.769 1.00 22.13 H new ATOM 0 HZ3 LYS A 98 11.795 -16.565 -10.200 1.00 22.13 H new ATOM 1569 N GLU A 99 6.870 -11.853 -8.662 1.00 72.24 N ATOM 1570 CA GLU A 99 5.904 -11.906 -9.752 1.00 31.44 C ATOM 1571 C GLU A 99 5.378 -10.513 -10.082 1.00 13.02 C ATOM 1572 O GLU A 99 5.749 -9.920 -11.095 1.00 70.03 O ATOM 1573 CB GLU A 99 4.740 -12.831 -9.388 1.00 13.30 C ATOM 1574 CG GLU A 99 4.995 -14.291 -9.720 1.00 50.51 C ATOM 1575 CD GLU A 99 4.390 -14.702 -11.048 1.00 32.43 C ATOM 1576 OE1 GLU A 99 4.850 -14.196 -12.093 1.00 73.42 O ATOM 1577 OE2 GLU A 99 3.455 -15.530 -11.042 1.00 42.32 O ATOM 0 H GLU A 99 6.525 -12.218 -7.774 1.00 72.24 H new ATOM 0 HA GLU A 99 6.410 -12.301 -10.633 1.00 31.44 H new ATOM 0 HB2 GLU A 99 4.535 -12.740 -8.321 1.00 13.30 H new ATOM 0 HB3 GLU A 99 3.845 -12.499 -9.914 1.00 13.30 H new ATOM 0 HG2 GLU A 99 6.070 -14.472 -9.743 1.00 50.51 H new ATOM 0 HG3 GLU A 99 4.583 -14.917 -8.928 1.00 50.51 H new ATOM 1584 N ALA A 100 4.510 -9.995 -9.219 1.00 64.32 N ATOM 1585 CA ALA A 100 3.933 -8.671 -9.416 1.00 22.30 C ATOM 1586 C ALA A 100 4.930 -7.732 -10.087 1.00 62.21 C ATOM 1587 O ALA A 100 4.563 -6.935 -10.952 1.00 34.31 O ATOM 1588 CB ALA A 100 3.473 -8.092 -8.086 1.00 64.40 C ATOM 0 H ALA A 100 4.191 -10.473 -8.376 1.00 64.32 H new ATOM 0 HA ALA A 100 3.070 -8.773 -10.074 1.00 22.30 H new ATOM 0 HB1 ALA A 100 3.044 -7.103 -8.248 1.00 64.40 H new ATOM 0 HB2 ALA A 100 2.720 -8.746 -7.645 1.00 64.40 H new ATOM 0 HB3 ALA A 100 4.324 -8.012 -7.410 1.00 64.40 H new ATOM 1594 N LEU A 101 6.192 -7.831 -9.684 1.00 52.33 N ATOM 1595 CA LEU A 101 7.243 -6.989 -10.246 1.00 23.54 C ATOM 1596 C LEU A 101 7.447 -7.290 -11.727 1.00 22.32 C ATOM 1597 O LEU A 101 7.191 -6.444 -12.584 1.00 42.15 O ATOM 1598 CB LEU A 101 8.554 -7.201 -9.486 1.00 2.42 C ATOM 1599 CG LEU A 101 8.789 -6.283 -8.286 1.00 31.25 C ATOM 1600 CD1 LEU A 101 10.110 -6.616 -7.610 1.00 33.41 C ATOM 1601 CD2 LEU A 101 8.760 -4.824 -8.717 1.00 73.20 C ATOM 0 H LEU A 101 6.513 -8.486 -8.970 1.00 52.33 H new ATOM 0 HA LEU A 101 6.935 -5.948 -10.144 1.00 23.54 H new ATOM 0 HB2 LEU A 101 8.587 -8.234 -9.140 1.00 2.42 H new ATOM 0 HB3 LEU A 101 9.381 -7.072 -10.184 1.00 2.42 H new ATOM 0 HG LEU A 101 7.986 -6.444 -7.567 1.00 31.25 H new ATOM 0 HD11 LEU A 101 10.260 -5.953 -6.758 1.00 33.41 H new ATOM 0 HD12 LEU A 101 10.092 -7.650 -7.266 1.00 33.41 H new ATOM 0 HD13 LEU A 101 10.926 -6.484 -8.321 1.00 33.41 H new ATOM 0 HD21 LEU A 101 8.929 -4.185 -7.850 1.00 73.20 H new ATOM 0 HD22 LEU A 101 9.542 -4.647 -9.456 1.00 73.20 H new ATOM 0 HD23 LEU A 101 7.789 -4.593 -9.154 1.00 73.20 H new ATOM 1613 N ASP A 102 7.906 -8.502 -12.023 1.00 41.24 N ATOM 1614 CA ASP A 102 8.141 -8.916 -13.401 1.00 4.40 C ATOM 1615 C ASP A 102 6.888 -8.717 -14.249 1.00 71.41 C ATOM 1616 O ASP A 102 6.953 -8.183 -15.357 1.00 54.55 O ATOM 1617 CB ASP A 102 8.577 -10.380 -13.448 1.00 33.54 C ATOM 1618 CG ASP A 102 9.890 -10.569 -14.183 1.00 22.34 C ATOM 1619 OD1 ASP A 102 10.917 -10.045 -13.706 1.00 32.23 O ATOM 1620 OD2 ASP A 102 9.890 -11.242 -15.236 1.00 24.31 O ATOM 0 H ASP A 102 8.123 -9.215 -11.326 1.00 41.24 H new ATOM 0 HA ASP A 102 8.937 -8.295 -13.811 1.00 4.40 H new ATOM 0 HB2 ASP A 102 8.675 -10.760 -12.431 1.00 33.54 H new ATOM 0 HB3 ASP A 102 7.802 -10.972 -13.936 1.00 33.54 H new