USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 879 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 30 MET CE :methyl -135:sc= -0.93 (180deg=-1.66) USER MOD Set 1.2: A 96 SER OG : rot -150:sc= 0 USER MOD Set 1.3: A 99 SER OG : rot 180:sc= -0.0673 USER MOD Set 2.1: A 67 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Set 2.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0.0224 USER MOD Set 3.2: A 37 GLN : amide:sc= -0.335 X(o=-0.31,f=-0.24) USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 8 THR OG1 : rot 21:sc= 0.416 USER MOD Set 5.2: A 11 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 86:sc= 1.26 USER MOD Single : A 25 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 46 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.24) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0927 K(o=-0.093,f=-0.59) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 33:sc= 0.307 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.433 K(o=-0.43,f=-3.5!) USER MOD Single : A 75 SER OG : rot 69:sc= 1.4 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc=-0.000332 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= 2.18 (180deg=1.78) USER MOD Single : A 94 THR OG1 : rot -5:sc= 0.337 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 108 THR OG1 : rot -67:sc= 0.988 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot -4:sc= 0.37 USER MOD Single : A 122 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.49) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 139:sc=-0.00782 (180deg=-0.491) USER MOD Single : A 129 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 12.327 3.292 5.922 1.00 61.41 N ATOM 83 CA THR A 8 10.959 3.499 5.438 1.00 70.43 C ATOM 84 C THR A 8 10.639 2.277 4.535 1.00 12.14 C ATOM 85 O THR A 8 11.545 1.799 3.843 1.00 34.12 O ATOM 86 CB THR A 8 10.814 4.863 4.709 1.00 2.52 C ATOM 87 OG1 THR A 8 11.833 5.801 5.034 1.00 63.42 O ATOM 88 CG2 THR A 8 9.499 5.578 5.040 1.00 54.13 C ATOM 0 HA THR A 8 10.240 3.556 6.255 1.00 70.43 H new ATOM 0 HB THR A 8 10.869 4.578 3.658 1.00 2.52 H new ATOM 0 HG1 THR A 8 12.613 5.327 5.391 1.00 63.42 H new ATOM 0 HG21 THR A 8 9.454 6.525 4.502 1.00 54.13 H new ATOM 0 HG22 THR A 8 8.659 4.951 4.742 1.00 54.13 H new ATOM 0 HG23 THR A 8 9.448 5.767 6.112 1.00 54.13 H new ATOM 96 N PRO A 9 9.385 1.783 4.469 1.00 44.23 N ATOM 97 CA PRO A 9 9.000 0.602 3.678 1.00 25.44 C ATOM 98 C PRO A 9 9.093 0.710 2.148 1.00 0.44 C ATOM 99 O PRO A 9 8.926 -0.305 1.468 1.00 54.23 O ATOM 100 CB PRO A 9 7.542 0.312 4.072 1.00 33.45 C ATOM 101 CG PRO A 9 7.013 1.645 4.560 1.00 34.22 C ATOM 102 CD PRO A 9 8.235 2.266 5.221 1.00 13.13 C ATOM 0 HA PRO A 9 9.719 -0.183 3.910 1.00 25.44 H new ATOM 0 HB2 PRO A 9 6.967 -0.057 3.223 1.00 33.45 H new ATOM 0 HB3 PRO A 9 7.484 -0.448 4.851 1.00 33.45 H new ATOM 0 HG2 PRO A 9 6.641 2.258 3.739 1.00 34.22 H new ATOM 0 HG3 PRO A 9 6.190 1.521 5.264 1.00 34.22 H new ATOM 0 HD2 PRO A 9 8.181 3.354 5.196 1.00 13.13 H new ATOM 0 HD3 PRO A 9 8.303 1.974 6.269 1.00 13.13 H new ATOM 110 N TRP A 10 9.346 1.894 1.590 1.00 62.43 N ATOM 111 CA TRP A 10 9.429 2.122 0.151 1.00 50.43 C ATOM 112 C TRP A 10 10.851 2.412 -0.325 1.00 4.12 C ATOM 113 O TRP A 10 11.115 2.361 -1.526 1.00 31.02 O ATOM 114 CB TRP A 10 8.533 3.326 -0.187 1.00 21.14 C ATOM 115 CG TRP A 10 7.173 3.337 0.447 1.00 2.14 C ATOM 116 CD1 TRP A 10 6.835 3.989 1.585 1.00 32.34 C ATOM 117 CD2 TRP A 10 5.953 2.689 -0.018 1.00 21.23 C ATOM 118 NE1 TRP A 10 5.498 3.772 1.859 1.00 3.24 N ATOM 119 CE2 TRP A 10 4.910 2.965 0.914 1.00 74.11 C ATOM 120 CE3 TRP A 10 5.623 1.893 -1.134 1.00 65.42 C ATOM 121 CZ2 TRP A 10 3.611 2.457 0.766 1.00 44.42 C ATOM 122 CZ3 TRP A 10 4.325 1.374 -1.292 1.00 22.13 C ATOM 123 CH2 TRP A 10 3.328 1.640 -0.338 1.00 72.14 C ATOM 0 H TRP A 10 9.502 2.739 2.140 1.00 62.43 H new ATOM 0 HA TRP A 10 9.104 1.213 -0.355 1.00 50.43 H new ATOM 0 HB2 TRP A 10 9.056 4.236 0.108 1.00 21.14 H new ATOM 0 HB3 TRP A 10 8.407 3.367 -1.269 1.00 21.14 H new ATOM 0 HD1 TRP A 10 7.506 4.586 2.185 1.00 32.34 H new ATOM 0 HE1 TRP A 10 5.008 4.163 2.664 1.00 3.24 H new ATOM 0 HE3 TRP A 10 6.377 1.679 -1.877 1.00 65.42 H new ATOM 0 HZ2 TRP A 10 2.843 2.691 1.489 1.00 44.42 H new ATOM 0 HZ3 TRP A 10 4.093 0.766 -2.154 1.00 22.13 H new ATOM 0 HH2 TRP A 10 2.342 1.215 -0.455 1.00 72.14 H new ATOM 134 N THR A 11 11.773 2.724 0.587 1.00 52.53 N ATOM 135 CA THR A 11 13.146 3.052 0.242 1.00 0.41 C ATOM 136 C THR A 11 13.997 1.828 -0.087 1.00 34.11 C ATOM 137 O THR A 11 14.866 1.923 -0.956 1.00 61.44 O ATOM 138 CB THR A 11 13.795 3.825 1.403 1.00 21.22 C ATOM 139 OG1 THR A 11 12.868 4.626 2.109 1.00 13.23 O ATOM 140 CG2 THR A 11 14.920 4.731 0.901 1.00 11.45 C ATOM 0 H THR A 11 11.582 2.755 1.588 1.00 52.53 H new ATOM 0 HA THR A 11 13.106 3.662 -0.660 1.00 0.41 H new ATOM 0 HB THR A 11 14.190 3.066 2.078 1.00 21.22 H new ATOM 0 HG1 THR A 11 13.328 5.095 2.836 1.00 13.23 H new ATOM 0 HG21 THR A 11 15.360 5.265 1.743 1.00 11.45 H new ATOM 0 HG22 THR A 11 15.685 4.126 0.415 1.00 11.45 H new ATOM 0 HG23 THR A 11 14.517 5.449 0.187 1.00 11.45 H new ATOM 148 N ASN A 12 13.786 0.698 0.598 1.00 32.03 N ATOM 149 CA ASN A 12 14.581 -0.499 0.363 1.00 34.41 C ATOM 150 C ASN A 12 13.708 -1.560 -0.293 1.00 71.54 C ATOM 151 O ASN A 12 12.667 -1.914 0.264 1.00 30.31 O ATOM 152 CB ASN A 12 15.216 -1.004 1.660 1.00 62.22 C ATOM 153 CG ASN A 12 16.043 0.063 2.363 1.00 12.32 C ATOM 154 OD1 ASN A 12 15.783 0.425 3.509 1.00 74.34 O ATOM 155 ND2 ASN A 12 17.030 0.636 1.704 1.00 63.33 N ATOM 0 H ASN A 12 13.071 0.594 1.318 1.00 32.03 H new ATOM 0 HA ASN A 12 15.403 -0.260 -0.312 1.00 34.41 H new ATOM 0 HB2 ASN A 12 14.432 -1.352 2.332 1.00 62.22 H new ATOM 0 HB3 ASN A 12 15.850 -1.863 1.439 1.00 62.22 H new ATOM 0 HD21 ASN A 12 17.575 1.377 2.145 1.00 63.33 H new ATOM 0 HD22 ASN A 12 17.249 0.339 0.753 1.00 63.33 H new ATOM 162 N PRO A 13 14.137 -2.130 -1.431 1.00 43.21 N ATOM 163 CA PRO A 13 13.353 -3.122 -2.141 1.00 31.33 C ATOM 164 C PRO A 13 13.151 -4.459 -1.437 1.00 1.44 C ATOM 165 O PRO A 13 12.221 -5.180 -1.812 1.00 61.43 O ATOM 166 CB PRO A 13 14.043 -3.322 -3.494 1.00 22.24 C ATOM 167 CG PRO A 13 15.484 -2.910 -3.222 1.00 52.13 C ATOM 168 CD PRO A 13 15.336 -1.803 -2.187 1.00 20.12 C ATOM 0 HA PRO A 13 12.336 -2.739 -2.222 1.00 31.33 H new ATOM 0 HB2 PRO A 13 13.978 -4.357 -3.829 1.00 22.24 H new ATOM 0 HB3 PRO A 13 13.589 -2.707 -4.271 1.00 22.24 H new ATOM 0 HG2 PRO A 13 16.076 -3.742 -2.841 1.00 52.13 H new ATOM 0 HG3 PRO A 13 15.979 -2.554 -4.125 1.00 52.13 H new ATOM 0 HD2 PRO A 13 16.209 -1.756 -1.536 1.00 20.12 H new ATOM 0 HD3 PRO A 13 15.243 -0.828 -2.666 1.00 20.12 H new ATOM 176 N GLY A 14 13.997 -4.815 -0.469 1.00 74.34 N ATOM 177 CA GLY A 14 13.870 -6.076 0.246 1.00 43.04 C ATOM 178 C GLY A 14 12.646 -6.032 1.137 1.00 25.54 C ATOM 179 O GLY A 14 11.696 -6.800 0.974 1.00 65.34 O ATOM 0 H GLY A 14 14.782 -4.239 -0.164 1.00 74.34 H new ATOM 0 HA2 GLY A 14 13.788 -6.901 -0.462 1.00 43.04 H new ATOM 0 HA3 GLY A 14 14.762 -6.258 0.845 1.00 43.04 H new ATOM 183 N LEU A 15 12.644 -5.054 2.038 1.00 32.24 N ATOM 184 CA LEU A 15 11.560 -4.844 2.975 1.00 72.23 C ATOM 185 C LEU A 15 10.232 -4.603 2.257 1.00 61.32 C ATOM 186 O LEU A 15 9.183 -4.947 2.801 1.00 12.25 O ATOM 187 CB LEU A 15 11.921 -3.647 3.861 1.00 71.14 C ATOM 188 CG LEU A 15 10.986 -3.462 5.063 1.00 35.44 C ATOM 189 CD1 LEU A 15 10.981 -4.660 6.004 1.00 50.01 C ATOM 190 CD2 LEU A 15 11.429 -2.222 5.827 1.00 62.13 C ATOM 0 H LEU A 15 13.405 -4.382 2.134 1.00 32.24 H new ATOM 0 HA LEU A 15 11.430 -5.740 3.583 1.00 72.23 H new ATOM 0 HB2 LEU A 15 12.942 -3.769 4.222 1.00 71.14 H new ATOM 0 HB3 LEU A 15 11.903 -2.741 3.256 1.00 71.14 H new ATOM 0 HG LEU A 15 9.970 -3.357 4.682 1.00 35.44 H new ATOM 0 HD11 LEU A 15 10.301 -4.468 6.834 1.00 50.01 H new ATOM 0 HD12 LEU A 15 10.652 -5.547 5.462 1.00 50.01 H new ATOM 0 HD13 LEU A 15 11.987 -4.824 6.390 1.00 50.01 H new ATOM 0 HD21 LEU A 15 10.776 -2.072 6.687 1.00 62.13 H new ATOM 0 HD22 LEU A 15 12.456 -2.353 6.169 1.00 62.13 H new ATOM 0 HD23 LEU A 15 11.373 -1.352 5.173 1.00 62.13 H new ATOM 202 N ALA A 16 10.246 -3.993 1.065 1.00 3.03 N ATOM 203 CA ALA A 16 9.030 -3.725 0.316 1.00 21.05 C ATOM 204 C ALA A 16 8.346 -5.030 -0.079 1.00 60.54 C ATOM 205 O ALA A 16 7.163 -5.185 0.210 1.00 72.11 O ATOM 206 CB ALA A 16 9.363 -2.880 -0.907 1.00 31.45 C ATOM 0 H ALA A 16 11.098 -3.677 0.603 1.00 3.03 H new ATOM 0 HA ALA A 16 8.333 -3.168 0.943 1.00 21.05 H new ATOM 0 HB1 ALA A 16 8.451 -2.679 -1.469 1.00 31.45 H new ATOM 0 HB2 ALA A 16 9.808 -1.938 -0.588 1.00 31.45 H new ATOM 0 HB3 ALA A 16 10.068 -3.418 -1.540 1.00 31.45 H new ATOM 212 N GLU A 17 9.075 -5.977 -0.683 1.00 74.00 N ATOM 213 CA GLU A 17 8.505 -7.263 -1.093 1.00 61.43 C ATOM 214 C GLU A 17 7.984 -8.025 0.130 1.00 41.02 C ATOM 215 O GLU A 17 6.928 -8.662 0.056 1.00 62.25 O ATOM 216 CB GLU A 17 9.559 -8.083 -1.864 1.00 23.04 C ATOM 217 CG GLU A 17 9.159 -9.537 -2.198 1.00 5.51 C ATOM 218 CD GLU A 17 7.976 -9.732 -3.162 1.00 10.20 C ATOM 219 OE1 GLU A 17 7.270 -8.769 -3.534 1.00 11.30 O ATOM 220 OE2 GLU A 17 7.696 -10.892 -3.535 1.00 22.25 O ATOM 0 H GLU A 17 10.067 -5.874 -0.899 1.00 74.00 H new ATOM 0 HA GLU A 17 7.660 -7.088 -1.759 1.00 61.43 H new ATOM 0 HB2 GLU A 17 9.787 -7.565 -2.795 1.00 23.04 H new ATOM 0 HB3 GLU A 17 10.478 -8.103 -1.278 1.00 23.04 H new ATOM 0 HG2 GLU A 17 10.029 -10.038 -2.623 1.00 5.51 H new ATOM 0 HG3 GLU A 17 8.922 -10.046 -1.264 1.00 5.51 H new ATOM 227 N ASN A 18 8.690 -7.942 1.266 1.00 42.24 N ATOM 228 CA ASN A 18 8.286 -8.634 2.479 1.00 32.25 C ATOM 229 C ASN A 18 7.004 -8.038 3.042 1.00 74.33 C ATOM 230 O ASN A 18 6.103 -8.787 3.418 1.00 71.43 O ATOM 231 CB ASN A 18 9.431 -8.594 3.487 1.00 60.32 C ATOM 232 CG ASN A 18 9.248 -9.698 4.508 1.00 33.22 C ATOM 233 OD1 ASN A 18 8.593 -9.506 5.520 1.00 61.21 O ATOM 234 ND2 ASN A 18 9.735 -10.899 4.240 1.00 12.24 N ATOM 0 H ASN A 18 9.547 -7.397 1.361 1.00 42.24 H new ATOM 0 HA ASN A 18 8.069 -9.677 2.250 1.00 32.25 H new ATOM 0 HB2 ASN A 18 10.385 -8.714 2.974 1.00 60.32 H new ATOM 0 HB3 ASN A 18 9.457 -7.625 3.985 1.00 60.32 H new ATOM 0 HD21 ASN A 18 9.564 -11.673 4.881 1.00 12.24 H new ATOM 0 HD22 ASN A 18 10.281 -11.050 3.392 1.00 12.24 H new ATOM 241 N PHE A 19 6.901 -6.708 3.094 1.00 74.25 N ATOM 242 CA PHE A 19 5.716 -6.011 3.581 1.00 14.15 C ATOM 243 C PHE A 19 4.549 -6.351 2.662 1.00 53.40 C ATOM 244 O PHE A 19 3.477 -6.712 3.146 1.00 32.52 O ATOM 245 CB PHE A 19 5.964 -4.497 3.591 1.00 34.45 C ATOM 246 CG PHE A 19 4.706 -3.656 3.658 1.00 42.33 C ATOM 247 CD1 PHE A 19 4.255 -2.995 2.501 1.00 40.44 C ATOM 248 CD2 PHE A 19 3.974 -3.552 4.855 1.00 43.10 C ATOM 249 CE1 PHE A 19 3.074 -2.238 2.532 1.00 74.41 C ATOM 250 CE2 PHE A 19 2.792 -2.792 4.886 1.00 2.32 C ATOM 251 CZ PHE A 19 2.340 -2.144 3.723 1.00 23.23 C ATOM 0 H PHE A 19 7.648 -6.081 2.795 1.00 74.25 H new ATOM 0 HA PHE A 19 5.488 -6.324 4.600 1.00 14.15 H new ATOM 0 HB2 PHE A 19 6.597 -4.251 4.444 1.00 34.45 H new ATOM 0 HB3 PHE A 19 6.520 -4.226 2.693 1.00 34.45 H new ATOM 0 HD1 PHE A 19 4.821 -3.071 1.584 1.00 40.44 H new ATOM 0 HD2 PHE A 19 4.319 -4.054 5.747 1.00 43.10 H new ATOM 0 HE1 PHE A 19 2.732 -1.730 1.642 1.00 74.41 H new ATOM 0 HE2 PHE A 19 2.230 -2.706 5.804 1.00 2.32 H new ATOM 0 HZ PHE A 19 1.424 -1.572 3.747 1.00 23.23 H new ATOM 261 N LEU A 20 4.773 -6.257 1.348 1.00 42.13 N ATOM 262 CA LEU A 20 3.783 -6.546 0.328 1.00 11.12 C ATOM 263 C LEU A 20 3.239 -7.957 0.528 1.00 12.14 C ATOM 264 O LEU A 20 2.021 -8.124 0.579 1.00 55.34 O ATOM 265 CB LEU A 20 4.374 -6.374 -1.082 1.00 30.10 C ATOM 266 CG LEU A 20 4.527 -4.914 -1.559 1.00 72.25 C ATOM 267 CD1 LEU A 20 5.520 -4.835 -2.719 1.00 51.04 C ATOM 268 CD2 LEU A 20 3.201 -4.303 -2.027 1.00 42.41 C ATOM 0 H LEU A 20 5.673 -5.970 0.963 1.00 42.13 H new ATOM 0 HA LEU A 20 2.962 -5.836 0.423 1.00 11.12 H new ATOM 0 HB2 LEU A 20 5.353 -6.852 -1.109 1.00 30.10 H new ATOM 0 HB3 LEU A 20 3.740 -6.906 -1.791 1.00 30.10 H new ATOM 0 HG LEU A 20 4.886 -4.349 -0.699 1.00 72.25 H new ATOM 0 HD11 LEU A 20 5.617 -3.799 -3.045 1.00 51.04 H new ATOM 0 HD12 LEU A 20 6.492 -5.206 -2.392 1.00 51.04 H new ATOM 0 HD13 LEU A 20 5.160 -5.444 -3.548 1.00 51.04 H new ATOM 0 HD21 LEU A 20 3.368 -3.276 -2.351 1.00 42.41 H new ATOM 0 HD22 LEU A 20 2.805 -4.886 -2.859 1.00 42.41 H new ATOM 0 HD23 LEU A 20 2.486 -4.312 -1.205 1.00 42.41 H new ATOM 280 N ASN A 21 4.118 -8.952 0.683 1.00 74.30 N ATOM 281 CA ASN A 21 3.713 -10.345 0.868 1.00 53.21 C ATOM 282 C ASN A 21 2.953 -10.532 2.178 1.00 34.13 C ATOM 283 O ASN A 21 1.921 -11.198 2.213 1.00 71.25 O ATOM 284 CB ASN A 21 4.941 -11.264 0.849 1.00 1.35 C ATOM 285 CG ASN A 21 4.551 -12.691 1.218 1.00 41.43 C ATOM 286 OD1 ASN A 21 3.839 -13.372 0.486 1.00 14.22 O ATOM 287 ND2 ASN A 21 4.995 -13.178 2.359 1.00 24.25 N ATOM 0 H ASN A 21 5.128 -8.813 0.683 1.00 74.30 H new ATOM 0 HA ASN A 21 3.050 -10.609 0.044 1.00 53.21 H new ATOM 0 HB2 ASN A 21 5.396 -11.251 -0.141 1.00 1.35 H new ATOM 0 HB3 ASN A 21 5.690 -10.894 1.549 1.00 1.35 H new ATOM 0 HD21 ASN A 21 4.747 -14.127 2.639 1.00 24.25 H new ATOM 0 HD22 ASN A 21 5.586 -12.606 2.962 1.00 24.25 H new ATOM 294 N SER A 22 3.469 -9.957 3.263 1.00 42.00 N ATOM 295 CA SER A 22 2.892 -10.033 4.595 1.00 62.02 C ATOM 296 C SER A 22 1.463 -9.486 4.586 1.00 64.52 C ATOM 297 O SER A 22 0.553 -10.110 5.128 1.00 35.22 O ATOM 298 CB SER A 22 3.823 -9.274 5.542 1.00 41.31 C ATOM 299 OG SER A 22 5.073 -9.927 5.600 1.00 71.34 O ATOM 0 H SER A 22 4.328 -9.408 3.233 1.00 42.00 H new ATOM 0 HA SER A 22 2.810 -11.064 4.940 1.00 62.02 H new ATOM 0 HB2 SER A 22 3.953 -8.248 5.196 1.00 41.31 H new ATOM 0 HB3 SER A 22 3.382 -9.222 6.537 1.00 41.31 H new ATOM 0 HG SER A 22 5.641 -9.611 4.867 1.00 71.34 H new ATOM 305 N PHE A 23 1.258 -8.339 3.937 1.00 75.54 N ATOM 306 CA PHE A 23 -0.045 -7.714 3.831 1.00 64.33 C ATOM 307 C PHE A 23 -0.997 -8.624 3.071 1.00 2.21 C ATOM 308 O PHE A 23 -2.087 -8.874 3.575 1.00 14.11 O ATOM 309 CB PHE A 23 0.096 -6.356 3.148 1.00 60.05 C ATOM 310 CG PHE A 23 -1.218 -5.652 2.877 1.00 53.42 C ATOM 311 CD1 PHE A 23 -1.735 -5.619 1.570 1.00 42.24 C ATOM 312 CD2 PHE A 23 -1.930 -5.033 3.921 1.00 51.10 C ATOM 313 CE1 PHE A 23 -2.928 -4.935 1.294 1.00 64.12 C ATOM 314 CE2 PHE A 23 -3.138 -4.368 3.644 1.00 14.52 C ATOM 315 CZ PHE A 23 -3.629 -4.304 2.330 1.00 72.03 C ATOM 0 H PHE A 23 2.002 -7.820 3.470 1.00 75.54 H new ATOM 0 HA PHE A 23 -0.461 -7.554 4.826 1.00 64.33 H new ATOM 0 HB2 PHE A 23 0.717 -5.712 3.771 1.00 60.05 H new ATOM 0 HB3 PHE A 23 0.623 -6.491 2.204 1.00 60.05 H new ATOM 0 HD1 PHE A 23 -1.210 -6.124 0.773 1.00 42.24 H new ATOM 0 HD2 PHE A 23 -1.550 -5.068 4.931 1.00 51.10 H new ATOM 0 HE1 PHE A 23 -3.306 -4.895 0.283 1.00 64.12 H new ATOM 0 HE2 PHE A 23 -3.691 -3.904 4.447 1.00 14.52 H new ATOM 0 HZ PHE A 23 -4.544 -3.770 2.119 1.00 72.03 H new ATOM 325 N LEU A 24 -0.603 -9.124 1.894 1.00 74.40 N ATOM 326 CA LEU A 24 -1.454 -10.006 1.088 1.00 42.40 C ATOM 327 C LEU A 24 -1.865 -11.230 1.898 1.00 43.15 C ATOM 328 O LEU A 24 -3.048 -11.558 1.955 1.00 71.04 O ATOM 329 CB LEU A 24 -0.757 -10.434 -0.217 1.00 24.41 C ATOM 330 CG LEU A 24 -0.533 -9.294 -1.225 1.00 62.52 C ATOM 331 CD1 LEU A 24 0.187 -9.811 -2.474 1.00 31.52 C ATOM 332 CD2 LEU A 24 -1.820 -8.580 -1.636 1.00 75.25 C ATOM 0 H LEU A 24 0.307 -8.931 1.476 1.00 74.40 H new ATOM 0 HA LEU A 24 -2.347 -9.444 0.815 1.00 42.40 H new ATOM 0 HB2 LEU A 24 0.207 -10.878 0.030 1.00 24.41 H new ATOM 0 HB3 LEU A 24 -1.353 -11.212 -0.694 1.00 24.41 H new ATOM 0 HG LEU A 24 0.088 -8.561 -0.710 1.00 62.52 H new ATOM 0 HD11 LEU A 24 0.336 -8.989 -3.174 1.00 31.52 H new ATOM 0 HD12 LEU A 24 1.154 -10.226 -2.191 1.00 31.52 H new ATOM 0 HD13 LEU A 24 -0.416 -10.586 -2.947 1.00 31.52 H new ATOM 0 HD21 LEU A 24 -1.586 -7.789 -2.348 1.00 75.25 H new ATOM 0 HD22 LEU A 24 -2.501 -9.295 -2.099 1.00 75.25 H new ATOM 0 HD23 LEU A 24 -2.293 -8.147 -0.755 1.00 75.25 H new ATOM 344 N GLN A 25 -0.904 -11.863 2.570 1.00 24.20 N ATOM 345 CA GLN A 25 -1.126 -13.041 3.395 1.00 51.22 C ATOM 346 C GLN A 25 -2.138 -12.784 4.515 1.00 1.52 C ATOM 347 O GLN A 25 -2.806 -13.726 4.952 1.00 65.34 O ATOM 348 CB GLN A 25 0.221 -13.503 3.966 1.00 51.33 C ATOM 349 CG GLN A 25 1.073 -14.232 2.919 1.00 53.41 C ATOM 350 CD GLN A 25 0.577 -15.661 2.756 1.00 62.32 C ATOM 351 OE1 GLN A 25 0.894 -16.533 3.564 1.00 4.54 O ATOM 352 NE2 GLN A 25 -0.217 -15.938 1.744 1.00 22.00 N ATOM 0 H GLN A 25 0.070 -11.561 2.553 1.00 24.20 H new ATOM 0 HA GLN A 25 -1.555 -13.826 2.772 1.00 51.22 H new ATOM 0 HB2 GLN A 25 0.770 -12.640 4.342 1.00 51.33 H new ATOM 0 HB3 GLN A 25 0.047 -14.164 4.815 1.00 51.33 H new ATOM 0 HG2 GLN A 25 1.020 -13.708 1.965 1.00 53.41 H new ATOM 0 HG3 GLN A 25 2.119 -14.233 3.225 1.00 53.41 H new ATOM 0 HE21 GLN A 25 -0.472 -15.206 1.081 1.00 22.00 H new ATOM 0 HE22 GLN A 25 -0.577 -16.885 1.623 1.00 22.00 H new ATOM 361 N GLY A 26 -2.222 -11.561 5.043 1.00 73.21 N ATOM 362 CA GLY A 26 -3.177 -11.220 6.088 1.00 62.32 C ATOM 363 C GLY A 26 -4.533 -10.874 5.474 1.00 75.44 C ATOM 364 O GLY A 26 -5.583 -11.386 5.866 1.00 71.13 O ATOM 0 H GLY A 26 -1.628 -10.783 4.755 1.00 73.21 H new ATOM 0 HA2 GLY A 26 -3.285 -12.057 6.778 1.00 62.32 H new ATOM 0 HA3 GLY A 26 -2.806 -10.375 6.668 1.00 62.32 H new ATOM 368 N LEU A 27 -4.502 -9.995 4.471 1.00 61.30 N ATOM 369 CA LEU A 27 -5.642 -9.484 3.725 1.00 35.13 C ATOM 370 C LEU A 27 -6.482 -10.587 3.103 1.00 72.23 C ATOM 371 O LEU A 27 -7.702 -10.432 3.029 1.00 61.21 O ATOM 372 CB LEU A 27 -5.127 -8.604 2.586 1.00 71.34 C ATOM 373 CG LEU A 27 -6.166 -7.713 1.902 1.00 65.24 C ATOM 374 CD1 LEU A 27 -6.526 -6.505 2.777 1.00 43.33 C ATOM 375 CD2 LEU A 27 -5.539 -7.323 0.565 1.00 44.52 C ATOM 0 H LEU A 27 -3.622 -9.599 4.141 1.00 61.30 H new ATOM 0 HA LEU A 27 -6.265 -8.933 4.430 1.00 35.13 H new ATOM 0 HB2 LEU A 27 -4.333 -7.968 2.976 1.00 71.34 H new ATOM 0 HB3 LEU A 27 -4.677 -9.249 1.831 1.00 71.34 H new ATOM 0 HG LEU A 27 -7.116 -8.224 1.744 1.00 65.24 H new ATOM 0 HD11 LEU A 27 -7.266 -5.891 2.263 1.00 43.33 H new ATOM 0 HD12 LEU A 27 -6.937 -6.852 3.725 1.00 43.33 H new ATOM 0 HD13 LEU A 27 -5.631 -5.912 2.965 1.00 43.33 H new ATOM 0 HD21 LEU A 27 -6.227 -6.681 0.014 1.00 44.52 H new ATOM 0 HD22 LEU A 27 -4.606 -6.787 0.743 1.00 44.52 H new ATOM 0 HD23 LEU A 27 -5.336 -8.222 -0.017 1.00 44.52 H new ATOM 387 N SER A 28 -5.853 -11.676 2.666 1.00 32.42 N ATOM 388 CA SER A 28 -6.521 -12.796 2.035 1.00 53.31 C ATOM 389 C SER A 28 -7.647 -13.375 2.894 1.00 32.21 C ATOM 390 O SER A 28 -8.636 -13.870 2.349 1.00 21.15 O ATOM 391 CB SER A 28 -5.474 -13.855 1.678 1.00 53.02 C ATOM 392 OG SER A 28 -4.786 -14.336 2.812 1.00 52.43 O ATOM 0 H SER A 28 -4.844 -11.800 2.746 1.00 32.42 H new ATOM 0 HA SER A 28 -7.008 -12.443 1.126 1.00 53.31 H new ATOM 0 HB2 SER A 28 -5.962 -14.688 1.172 1.00 53.02 H new ATOM 0 HB3 SER A 28 -4.757 -13.431 0.975 1.00 53.02 H new ATOM 0 HG SER A 28 -4.130 -15.010 2.535 1.00 52.43 H new ATOM 398 N SER A 29 -7.538 -13.298 4.223 1.00 30.14 N ATOM 399 CA SER A 29 -8.538 -13.813 5.157 1.00 41.24 C ATOM 400 C SER A 29 -9.312 -12.690 5.844 1.00 2.45 C ATOM 401 O SER A 29 -10.080 -12.952 6.771 1.00 12.00 O ATOM 402 CB SER A 29 -7.865 -14.749 6.159 1.00 65.53 C ATOM 403 OG SER A 29 -7.203 -15.777 5.446 1.00 41.32 O ATOM 0 H SER A 29 -6.737 -12.868 4.686 1.00 30.14 H new ATOM 0 HA SER A 29 -9.279 -14.383 4.597 1.00 41.24 H new ATOM 0 HB2 SER A 29 -7.154 -14.197 6.773 1.00 65.53 H new ATOM 0 HB3 SER A 29 -8.606 -15.175 6.835 1.00 65.53 H new ATOM 0 HG SER A 29 -6.765 -16.384 6.079 1.00 41.32 H new ATOM 409 N MET A 30 -9.113 -11.434 5.437 1.00 24.20 N ATOM 410 CA MET A 30 -9.804 -10.287 6.007 1.00 64.31 C ATOM 411 C MET A 30 -11.059 -10.000 5.175 1.00 33.22 C ATOM 412 O MET A 30 -11.063 -10.292 3.971 1.00 24.32 O ATOM 413 CB MET A 30 -8.833 -9.099 6.055 1.00 60.03 C ATOM 414 CG MET A 30 -7.861 -9.304 7.222 1.00 4.12 C ATOM 415 SD MET A 30 -8.633 -9.154 8.857 1.00 53.31 S ATOM 416 CE MET A 30 -8.914 -7.376 8.863 1.00 5.33 C ATOM 0 H MET A 30 -8.459 -11.188 4.694 1.00 24.20 H new ATOM 0 HA MET A 30 -10.130 -10.483 7.028 1.00 64.31 H new ATOM 0 HB2 MET A 30 -8.285 -9.021 5.116 1.00 60.03 H new ATOM 0 HB3 MET A 30 -9.383 -8.166 6.181 1.00 60.03 H new ATOM 0 HG2 MET A 30 -7.407 -10.291 7.135 1.00 4.12 H new ATOM 0 HG3 MET A 30 -7.055 -8.574 7.143 1.00 4.12 H new ATOM 0 HE1 MET A 30 -8.612 -6.963 9.826 1.00 5.33 H new ATOM 0 HE2 MET A 30 -8.328 -6.912 8.069 1.00 5.33 H new ATOM 0 HE3 MET A 30 -9.972 -7.174 8.698 1.00 5.33 H new ATOM 426 N PRO A 31 -12.106 -9.395 5.763 1.00 45.25 N ATOM 427 CA PRO A 31 -13.362 -9.083 5.088 1.00 64.04 C ATOM 428 C PRO A 31 -13.237 -7.882 4.140 1.00 5.11 C ATOM 429 O PRO A 31 -13.733 -6.778 4.393 1.00 54.41 O ATOM 430 CB PRO A 31 -14.358 -8.867 6.219 1.00 33.44 C ATOM 431 CG PRO A 31 -13.498 -8.286 7.342 1.00 32.02 C ATOM 432 CD PRO A 31 -12.176 -9.022 7.171 1.00 2.30 C ATOM 0 HA PRO A 31 -13.687 -9.885 4.425 1.00 64.04 H new ATOM 0 HB2 PRO A 31 -15.155 -8.182 5.928 1.00 33.44 H new ATOM 0 HB3 PRO A 31 -14.834 -9.801 6.519 1.00 33.44 H new ATOM 0 HG2 PRO A 31 -13.376 -7.208 7.241 1.00 32.02 H new ATOM 0 HG3 PRO A 31 -13.938 -8.467 8.323 1.00 32.02 H new ATOM 0 HD2 PRO A 31 -11.336 -8.386 7.449 1.00 2.30 H new ATOM 0 HD3 PRO A 31 -12.134 -9.903 7.811 1.00 2.30 H new ATOM 440 N GLY A 32 -12.588 -8.119 3.007 1.00 43.23 N ATOM 441 CA GLY A 32 -12.340 -7.139 1.967 1.00 10.31 C ATOM 442 C GLY A 32 -12.133 -7.803 0.613 1.00 0.10 C ATOM 443 O GLY A 32 -13.113 -7.966 -0.126 1.00 23.02 O ATOM 0 H GLY A 32 -12.206 -9.038 2.782 1.00 43.23 H new ATOM 0 HA2 GLY A 32 -13.180 -6.447 1.910 1.00 10.31 H new ATOM 0 HA3 GLY A 32 -11.459 -6.550 2.223 1.00 10.31 H new ATOM 447 N PHE A 33 -10.880 -8.119 0.271 1.00 72.54 N ATOM 448 CA PHE A 33 -10.531 -8.767 -0.989 1.00 70.45 C ATOM 449 C PHE A 33 -10.815 -10.273 -0.889 1.00 2.40 C ATOM 450 O PHE A 33 -11.013 -10.781 0.220 1.00 3.41 O ATOM 451 CB PHE A 33 -9.043 -8.531 -1.279 1.00 23.14 C ATOM 452 CG PHE A 33 -8.623 -7.087 -1.492 1.00 55.31 C ATOM 453 CD1 PHE A 33 -8.512 -6.193 -0.407 1.00 1.12 C ATOM 454 CD2 PHE A 33 -8.282 -6.644 -2.785 1.00 34.25 C ATOM 455 CE1 PHE A 33 -8.039 -4.889 -0.618 1.00 40.20 C ATOM 456 CE2 PHE A 33 -7.823 -5.332 -2.989 1.00 75.54 C ATOM 457 CZ PHE A 33 -7.696 -4.452 -1.906 1.00 43.35 C ATOM 0 H PHE A 33 -10.076 -7.929 0.869 1.00 72.54 H new ATOM 0 HA PHE A 33 -11.128 -8.348 -1.799 1.00 70.45 H new ATOM 0 HB2 PHE A 33 -8.464 -8.938 -0.450 1.00 23.14 H new ATOM 0 HB3 PHE A 33 -8.772 -9.101 -2.168 1.00 23.14 H new ATOM 0 HD1 PHE A 33 -8.791 -6.512 0.586 1.00 1.12 H new ATOM 0 HD2 PHE A 33 -8.374 -7.317 -3.625 1.00 34.25 H new ATOM 0 HE1 PHE A 33 -7.938 -4.215 0.220 1.00 40.20 H new ATOM 0 HE2 PHE A 33 -7.567 -5.000 -3.984 1.00 75.54 H new ATOM 0 HZ PHE A 33 -7.337 -3.445 -2.062 1.00 43.35 H new ATOM 467 N THR A 34 -10.812 -11.000 -2.010 1.00 13.43 N ATOM 468 CA THR A 34 -11.055 -12.446 -2.053 1.00 44.53 C ATOM 469 C THR A 34 -9.902 -13.135 -2.797 1.00 22.33 C ATOM 470 O THR A 34 -9.070 -12.452 -3.396 1.00 11.11 O ATOM 471 CB THR A 34 -12.476 -12.753 -2.561 1.00 62.43 C ATOM 472 OG1 THR A 34 -12.662 -12.401 -3.919 1.00 53.23 O ATOM 473 CG2 THR A 34 -13.502 -11.991 -1.715 1.00 33.31 C ATOM 0 H THR A 34 -10.638 -10.594 -2.929 1.00 13.43 H new ATOM 0 HA THR A 34 -11.047 -12.877 -1.052 1.00 44.53 H new ATOM 0 HB THR A 34 -12.615 -13.830 -2.472 1.00 62.43 H new ATOM 0 HG1 THR A 34 -13.578 -12.618 -4.191 1.00 53.23 H new ATOM 0 HG21 THR A 34 -14.507 -12.210 -2.077 1.00 33.31 H new ATOM 0 HG22 THR A 34 -13.416 -12.300 -0.673 1.00 33.31 H new ATOM 0 HG23 THR A 34 -13.314 -10.920 -1.792 1.00 33.31 H new ATOM 481 N ALA A 35 -9.846 -14.472 -2.789 1.00 64.43 N ATOM 482 CA ALA A 35 -8.769 -15.247 -3.405 1.00 64.05 C ATOM 483 C ALA A 35 -8.439 -14.864 -4.849 1.00 4.04 C ATOM 484 O ALA A 35 -7.254 -14.753 -5.166 1.00 13.25 O ATOM 485 CB ALA A 35 -9.068 -16.744 -3.290 1.00 4.44 C ATOM 0 H ALA A 35 -10.559 -15.052 -2.347 1.00 64.43 H new ATOM 0 HA ALA A 35 -7.869 -14.998 -2.842 1.00 64.05 H new ATOM 0 HB1 ALA A 35 -8.261 -17.313 -3.751 1.00 4.44 H new ATOM 0 HB2 ALA A 35 -9.151 -17.019 -2.238 1.00 4.44 H new ATOM 0 HB3 ALA A 35 -10.006 -16.968 -3.798 1.00 4.44 H new ATOM 491 N SER A 36 -9.438 -14.645 -5.706 1.00 74.24 N ATOM 492 CA SER A 36 -9.198 -14.266 -7.098 1.00 33.35 C ATOM 493 C SER A 36 -8.401 -12.956 -7.156 1.00 4.21 C ATOM 494 O SER A 36 -7.340 -12.879 -7.774 1.00 63.40 O ATOM 495 CB SER A 36 -10.532 -14.140 -7.844 1.00 12.12 C ATOM 496 OG SER A 36 -11.360 -15.269 -7.605 1.00 42.14 O ATOM 0 H SER A 36 -10.424 -14.724 -5.458 1.00 74.24 H new ATOM 0 HA SER A 36 -8.609 -15.041 -7.588 1.00 33.35 H new ATOM 0 HB2 SER A 36 -11.047 -13.234 -7.525 1.00 12.12 H new ATOM 0 HB3 SER A 36 -10.346 -14.041 -8.914 1.00 12.12 H new ATOM 0 HG SER A 36 -12.205 -15.164 -8.090 1.00 42.14 H new ATOM 502 N GLN A 37 -8.893 -11.938 -6.445 1.00 63.43 N ATOM 503 CA GLN A 37 -8.289 -10.617 -6.377 1.00 51.32 C ATOM 504 C GLN A 37 -6.873 -10.687 -5.818 1.00 20.45 C ATOM 505 O GLN A 37 -5.995 -9.982 -6.305 1.00 72.15 O ATOM 506 CB GLN A 37 -9.126 -9.707 -5.473 1.00 72.24 C ATOM 507 CG GLN A 37 -10.584 -9.545 -5.914 1.00 2.24 C ATOM 508 CD GLN A 37 -11.403 -8.932 -4.789 1.00 64.35 C ATOM 509 OE1 GLN A 37 -11.010 -7.953 -4.167 1.00 24.50 O ATOM 510 NE2 GLN A 37 -12.514 -9.538 -4.417 1.00 23.52 N ATOM 0 H GLN A 37 -9.744 -12.018 -5.889 1.00 63.43 H new ATOM 0 HA GLN A 37 -8.253 -10.216 -7.390 1.00 51.32 H new ATOM 0 HB2 GLN A 37 -9.108 -10.107 -4.459 1.00 72.24 H new ATOM 0 HB3 GLN A 37 -8.659 -8.723 -5.436 1.00 72.24 H new ATOM 0 HG2 GLN A 37 -10.636 -8.912 -6.800 1.00 2.24 H new ATOM 0 HG3 GLN A 37 -10.999 -10.514 -6.190 1.00 2.24 H new ATOM 0 HE21 GLN A 37 -12.847 -10.354 -4.931 1.00 23.52 H new ATOM 0 HE22 GLN A 37 -13.041 -9.191 -3.615 1.00 23.52 H new ATOM 519 N LEU A 38 -6.642 -11.515 -4.789 1.00 45.13 N ATOM 520 CA LEU A 38 -5.328 -11.660 -4.171 1.00 21.04 C ATOM 521 C LEU A 38 -4.275 -12.128 -5.171 1.00 1.35 C ATOM 522 O LEU A 38 -3.098 -11.836 -4.947 1.00 65.34 O ATOM 523 CB LEU A 38 -5.382 -12.649 -2.985 1.00 0.20 C ATOM 524 CG LEU A 38 -5.589 -12.044 -1.587 1.00 54.33 C ATOM 525 CD1 LEU A 38 -4.533 -11.001 -1.217 1.00 62.11 C ATOM 526 CD2 LEU A 38 -6.981 -11.451 -1.378 1.00 74.04 C ATOM 0 H LEU A 38 -7.363 -12.100 -4.367 1.00 45.13 H new ATOM 0 HA LEU A 38 -5.042 -10.673 -3.808 1.00 21.04 H new ATOM 0 HB2 LEU A 38 -6.188 -13.359 -3.171 1.00 0.20 H new ATOM 0 HB3 LEU A 38 -4.452 -13.218 -2.975 1.00 0.20 H new ATOM 0 HG LEU A 38 -5.480 -12.897 -0.918 1.00 54.33 H new ATOM 0 HD11 LEU A 38 -4.738 -10.614 -0.219 1.00 62.11 H new ATOM 0 HD12 LEU A 38 -3.545 -11.462 -1.232 1.00 62.11 H new ATOM 0 HD13 LEU A 38 -4.562 -10.183 -1.936 1.00 62.11 H new ATOM 0 HD21 LEU A 38 -7.055 -11.043 -0.370 1.00 74.04 H new ATOM 0 HD22 LEU A 38 -7.151 -10.657 -2.105 1.00 74.04 H new ATOM 0 HD23 LEU A 38 -7.732 -12.230 -1.510 1.00 74.04 H new ATOM 538 N ASP A 39 -4.657 -12.854 -6.223 1.00 42.40 N ATOM 539 CA ASP A 39 -3.697 -13.316 -7.216 1.00 55.24 C ATOM 540 C ASP A 39 -3.288 -12.143 -8.092 1.00 51.24 C ATOM 541 O ASP A 39 -2.100 -11.936 -8.315 1.00 23.03 O ATOM 542 CB ASP A 39 -4.258 -14.466 -8.044 1.00 54.42 C ATOM 543 CG ASP A 39 -3.131 -15.171 -8.789 1.00 3.40 C ATOM 544 OD1 ASP A 39 -3.209 -15.317 -10.028 1.00 24.33 O ATOM 545 OD2 ASP A 39 -2.217 -15.713 -8.121 1.00 52.54 O ATOM 0 H ASP A 39 -5.621 -13.132 -6.405 1.00 42.40 H new ATOM 0 HA ASP A 39 -2.815 -13.705 -6.707 1.00 55.24 H new ATOM 0 HB2 ASP A 39 -4.775 -15.174 -7.395 1.00 54.42 H new ATOM 0 HB3 ASP A 39 -4.994 -14.089 -8.754 1.00 54.42 H new ATOM 550 N ASP A 40 -4.252 -11.332 -8.542 1.00 63.03 N ATOM 551 CA ASP A 40 -3.956 -10.154 -9.365 1.00 51.13 C ATOM 552 C ASP A 40 -3.123 -9.180 -8.527 1.00 22.13 C ATOM 553 O ASP A 40 -2.189 -8.543 -9.018 1.00 20.51 O ATOM 554 CB ASP A 40 -5.239 -9.461 -9.853 1.00 32.33 C ATOM 555 CG ASP A 40 -5.836 -10.089 -11.112 1.00 1.11 C ATOM 556 OD1 ASP A 40 -7.084 -10.118 -11.222 1.00 33.33 O ATOM 557 OD2 ASP A 40 -5.083 -10.484 -12.035 1.00 42.12 O ATOM 0 H ASP A 40 -5.244 -11.470 -8.350 1.00 63.03 H new ATOM 0 HA ASP A 40 -3.405 -10.472 -10.250 1.00 51.13 H new ATOM 0 HB2 ASP A 40 -5.982 -9.489 -9.056 1.00 32.33 H new ATOM 0 HB3 ASP A 40 -5.022 -8.411 -10.049 1.00 32.33 H new ATOM 562 N LEU A 41 -3.426 -9.094 -7.228 1.00 74.03 N ATOM 563 CA LEU A 41 -2.729 -8.247 -6.274 1.00 51.13 C ATOM 564 C LEU A 41 -1.265 -8.675 -6.126 1.00 73.11 C ATOM 565 O LEU A 41 -0.415 -7.842 -5.794 1.00 65.11 O ATOM 566 CB LEU A 41 -3.446 -8.267 -4.918 1.00 44.05 C ATOM 567 CG LEU A 41 -4.213 -6.986 -4.561 1.00 53.22 C ATOM 568 CD1 LEU A 41 -3.282 -5.771 -4.519 1.00 14.22 C ATOM 569 CD2 LEU A 41 -5.395 -6.720 -5.496 1.00 25.24 C ATOM 0 H LEU A 41 -4.185 -9.629 -6.806 1.00 74.03 H new ATOM 0 HA LEU A 41 -2.739 -7.225 -6.653 1.00 51.13 H new ATOM 0 HB2 LEU A 41 -4.145 -9.104 -4.908 1.00 44.05 H new ATOM 0 HB3 LEU A 41 -2.708 -8.458 -4.139 1.00 44.05 H new ATOM 0 HG LEU A 41 -4.623 -7.148 -3.564 1.00 53.22 H new ATOM 0 HD11 LEU A 41 -3.857 -4.881 -4.263 1.00 14.22 H new ATOM 0 HD12 LEU A 41 -2.508 -5.931 -3.768 1.00 14.22 H new ATOM 0 HD13 LEU A 41 -2.817 -5.635 -5.496 1.00 14.22 H new ATOM 0 HD21 LEU A 41 -5.898 -5.802 -5.194 1.00 25.24 H new ATOM 0 HD22 LEU A 41 -5.033 -6.616 -6.519 1.00 25.24 H new ATOM 0 HD23 LEU A 41 -6.096 -7.553 -5.442 1.00 25.24 H new ATOM 581 N SER A 42 -0.984 -9.970 -6.301 1.00 12.34 N ATOM 582 CA SER A 42 0.348 -10.547 -6.228 1.00 45.31 C ATOM 583 C SER A 42 1.162 -9.958 -7.390 1.00 61.44 C ATOM 584 O SER A 42 2.325 -9.591 -7.201 1.00 74.21 O ATOM 585 CB SER A 42 0.218 -12.077 -6.280 1.00 4.24 C ATOM 586 OG SER A 42 1.396 -12.754 -5.890 1.00 42.20 O ATOM 0 H SER A 42 -1.706 -10.662 -6.504 1.00 12.34 H new ATOM 0 HA SER A 42 0.868 -10.309 -5.300 1.00 45.31 H new ATOM 0 HB2 SER A 42 -0.602 -12.387 -5.632 1.00 4.24 H new ATOM 0 HB3 SER A 42 -0.046 -12.378 -7.294 1.00 4.24 H new ATOM 0 HG SER A 42 1.250 -13.722 -5.942 1.00 42.20 H new ATOM 592 N THR A 43 0.554 -9.818 -8.573 1.00 63.52 N ATOM 593 CA THR A 43 1.185 -9.251 -9.753 1.00 10.21 C ATOM 594 C THR A 43 1.512 -7.779 -9.463 1.00 30.53 C ATOM 595 O THR A 43 2.647 -7.336 -9.647 1.00 14.22 O ATOM 596 CB THR A 43 0.221 -9.342 -10.951 1.00 73.33 C ATOM 597 OG1 THR A 43 -0.615 -10.487 -10.933 1.00 64.53 O ATOM 598 CG2 THR A 43 0.997 -9.345 -12.259 1.00 52.22 C ATOM 0 H THR A 43 -0.412 -10.104 -8.732 1.00 63.52 H new ATOM 0 HA THR A 43 2.096 -9.799 -9.993 1.00 10.21 H new ATOM 0 HB THR A 43 -0.419 -8.463 -10.869 1.00 73.33 H new ATOM 0 HG1 THR A 43 -1.199 -10.478 -11.720 1.00 64.53 H new ATOM 0 HG21 THR A 43 0.301 -9.410 -13.095 1.00 52.22 H new ATOM 0 HG22 THR A 43 1.577 -8.426 -12.340 1.00 52.22 H new ATOM 0 HG23 THR A 43 1.670 -10.202 -12.281 1.00 52.22 H new ATOM 606 N ILE A 44 0.513 -7.037 -8.964 1.00 14.30 N ATOM 607 CA ILE A 44 0.618 -5.622 -8.621 1.00 35.13 C ATOM 608 C ILE A 44 1.788 -5.430 -7.648 1.00 75.22 C ATOM 609 O ILE A 44 2.582 -4.509 -7.829 1.00 35.12 O ATOM 610 CB ILE A 44 -0.744 -5.101 -8.085 1.00 2.25 C ATOM 611 CG1 ILE A 44 -1.817 -5.168 -9.200 1.00 52.40 C ATOM 612 CG2 ILE A 44 -0.633 -3.660 -7.549 1.00 13.33 C ATOM 613 CD1 ILE A 44 -3.259 -4.911 -8.744 1.00 20.22 C ATOM 0 H ILE A 44 -0.415 -7.421 -8.785 1.00 14.30 H new ATOM 0 HA ILE A 44 0.838 -5.020 -9.502 1.00 35.13 H new ATOM 0 HB ILE A 44 -1.040 -5.744 -7.256 1.00 2.25 H new ATOM 0 HG12 ILE A 44 -1.562 -4.439 -9.970 1.00 52.40 H new ATOM 0 HG13 ILE A 44 -1.771 -6.153 -9.666 1.00 52.40 H new ATOM 0 HG21 ILE A 44 -1.606 -3.332 -7.183 1.00 13.33 H new ATOM 0 HG22 ILE A 44 0.090 -3.630 -6.734 1.00 13.33 H new ATOM 0 HG23 ILE A 44 -0.304 -2.998 -8.350 1.00 13.33 H new ATOM 0 HD11 ILE A 44 -3.929 -4.981 -9.601 1.00 20.22 H new ATOM 0 HD12 ILE A 44 -3.543 -5.654 -7.999 1.00 20.22 H new ATOM 0 HD13 ILE A 44 -3.331 -3.915 -8.308 1.00 20.22 H new ATOM 625 N ALA A 45 1.930 -6.306 -6.646 1.00 43.43 N ATOM 626 CA ALA A 45 3.009 -6.218 -5.675 1.00 53.54 C ATOM 627 C ALA A 45 4.366 -6.227 -6.382 1.00 34.10 C ATOM 628 O ALA A 45 5.168 -5.321 -6.157 1.00 44.21 O ATOM 629 CB ALA A 45 2.892 -7.361 -4.659 1.00 61.31 C ATOM 0 H ALA A 45 1.298 -7.091 -6.492 1.00 43.43 H new ATOM 0 HA ALA A 45 2.929 -5.276 -5.133 1.00 53.54 H new ATOM 0 HB1 ALA A 45 3.703 -7.289 -3.935 1.00 61.31 H new ATOM 0 HB2 ALA A 45 1.936 -7.291 -4.141 1.00 61.31 H new ATOM 0 HB3 ALA A 45 2.954 -8.317 -5.178 1.00 61.31 H new ATOM 635 N GLN A 46 4.633 -7.214 -7.244 1.00 13.33 N ATOM 636 CA GLN A 46 5.898 -7.283 -7.961 1.00 10.34 C ATOM 637 C GLN A 46 6.083 -6.060 -8.859 1.00 61.42 C ATOM 638 O GLN A 46 7.210 -5.578 -8.981 1.00 52.51 O ATOM 639 CB GLN A 46 5.993 -8.602 -8.734 1.00 53.02 C ATOM 640 CG GLN A 46 6.520 -9.723 -7.828 1.00 24.50 C ATOM 641 CD GLN A 46 7.994 -9.568 -7.446 1.00 10.42 C ATOM 642 OE1 GLN A 46 8.900 -9.801 -8.249 1.00 12.32 O ATOM 643 NE2 GLN A 46 8.295 -9.181 -6.216 1.00 54.33 N ATOM 0 H GLN A 46 3.986 -7.973 -7.458 1.00 13.33 H new ATOM 0 HA GLN A 46 6.719 -7.267 -7.244 1.00 10.34 H new ATOM 0 HB2 GLN A 46 5.012 -8.873 -9.123 1.00 53.02 H new ATOM 0 HB3 GLN A 46 6.654 -8.480 -9.592 1.00 53.02 H new ATOM 0 HG2 GLN A 46 5.920 -9.754 -6.918 1.00 24.50 H new ATOM 0 HG3 GLN A 46 6.384 -10.679 -8.333 1.00 24.50 H new ATOM 0 HE21 GLN A 46 7.551 -8.986 -5.546 1.00 54.33 H new ATOM 0 HE22 GLN A 46 9.271 -9.077 -5.938 1.00 54.33 H new ATOM 652 N SER A 47 5.007 -5.521 -9.443 1.00 23.24 N ATOM 653 CA SER A 47 5.090 -4.339 -10.288 1.00 2.42 C ATOM 654 C SER A 47 5.694 -3.188 -9.463 1.00 51.31 C ATOM 655 O SER A 47 6.517 -2.427 -9.982 1.00 61.44 O ATOM 656 CB SER A 47 3.699 -4.007 -10.845 1.00 72.20 C ATOM 657 OG SER A 47 3.775 -3.084 -11.915 1.00 32.22 O ATOM 0 H SER A 47 4.063 -5.894 -9.340 1.00 23.24 H new ATOM 0 HA SER A 47 5.740 -4.512 -11.146 1.00 2.42 H new ATOM 0 HB2 SER A 47 3.215 -4.922 -11.186 1.00 72.20 H new ATOM 0 HB3 SER A 47 3.077 -3.594 -10.051 1.00 72.20 H new ATOM 0 HG SER A 47 2.873 -2.895 -12.248 1.00 32.22 H new ATOM 663 N LEU A 48 5.324 -3.056 -8.181 1.00 0.41 N ATOM 664 CA LEU A 48 5.864 -2.010 -7.314 1.00 34.41 C ATOM 665 C LEU A 48 7.323 -2.311 -6.976 1.00 44.14 C ATOM 666 O LEU A 48 8.148 -1.393 -6.979 1.00 32.43 O ATOM 667 CB LEU A 48 5.046 -1.849 -6.019 1.00 3.23 C ATOM 668 CG LEU A 48 3.853 -0.892 -6.193 1.00 2.44 C ATOM 669 CD1 LEU A 48 2.589 -1.566 -6.723 1.00 11.51 C ATOM 670 CD2 LEU A 48 3.531 -0.188 -4.874 1.00 2.43 C ATOM 0 H LEU A 48 4.648 -3.667 -7.723 1.00 0.41 H new ATOM 0 HA LEU A 48 5.800 -1.069 -7.860 1.00 34.41 H new ATOM 0 HB2 LEU A 48 4.681 -2.825 -5.699 1.00 3.23 H new ATOM 0 HB3 LEU A 48 5.695 -1.476 -5.227 1.00 3.23 H new ATOM 0 HG LEU A 48 4.168 -0.170 -6.946 1.00 2.44 H new ATOM 0 HD11 LEU A 48 1.794 -0.826 -6.818 1.00 11.51 H new ATOM 0 HD12 LEU A 48 2.793 -2.006 -7.699 1.00 11.51 H new ATOM 0 HD13 LEU A 48 2.276 -2.348 -6.031 1.00 11.51 H new ATOM 0 HD21 LEU A 48 2.685 0.484 -5.017 1.00 2.43 H new ATOM 0 HD22 LEU A 48 3.280 -0.931 -4.117 1.00 2.43 H new ATOM 0 HD23 LEU A 48 4.398 0.385 -4.546 1.00 2.43 H new ATOM 682 N VAL A 49 7.667 -3.572 -6.699 1.00 75.15 N ATOM 683 CA VAL A 49 9.037 -3.955 -6.372 1.00 64.40 C ATOM 684 C VAL A 49 9.970 -3.615 -7.542 1.00 43.45 C ATOM 685 O VAL A 49 11.065 -3.102 -7.298 1.00 23.21 O ATOM 686 CB VAL A 49 9.089 -5.438 -5.935 1.00 23.35 C ATOM 687 CG1 VAL A 49 10.485 -6.034 -5.643 1.00 21.44 C ATOM 688 CG2 VAL A 49 8.256 -5.648 -4.666 1.00 11.33 C ATOM 0 H VAL A 49 7.006 -4.349 -6.696 1.00 75.15 H new ATOM 0 HA VAL A 49 9.397 -3.380 -5.519 1.00 64.40 H new ATOM 0 HB VAL A 49 8.700 -5.958 -6.811 1.00 23.35 H new ATOM 0 HG11 VAL A 49 10.380 -7.078 -5.347 1.00 21.44 H new ATOM 0 HG12 VAL A 49 11.102 -5.971 -6.539 1.00 21.44 H new ATOM 0 HG13 VAL A 49 10.958 -5.474 -4.836 1.00 21.44 H new ATOM 0 HG21 VAL A 49 8.302 -6.696 -4.370 1.00 11.33 H new ATOM 0 HG22 VAL A 49 8.653 -5.027 -3.863 1.00 11.33 H new ATOM 0 HG23 VAL A 49 7.220 -5.371 -4.861 1.00 11.33 H new ATOM 698 N GLN A 50 9.535 -3.803 -8.795 1.00 74.34 N ATOM 699 CA GLN A 50 10.352 -3.494 -9.965 1.00 54.35 C ATOM 700 C GLN A 50 10.764 -2.019 -9.950 1.00 34.43 C ATOM 701 O GLN A 50 11.923 -1.713 -10.241 1.00 62.13 O ATOM 702 CB GLN A 50 9.595 -3.800 -11.271 1.00 54.25 C ATOM 703 CG GLN A 50 9.459 -5.292 -11.614 1.00 2.21 C ATOM 704 CD GLN A 50 10.795 -5.994 -11.873 1.00 63.12 C ATOM 705 OE1 GLN A 50 11.811 -5.367 -12.183 1.00 43.15 O ATOM 706 NE2 GLN A 50 10.837 -7.315 -11.738 1.00 50.02 N ATOM 0 H GLN A 50 8.611 -4.172 -9.020 1.00 74.34 H new ATOM 0 HA GLN A 50 11.241 -4.123 -9.923 1.00 54.35 H new ATOM 0 HB2 GLN A 50 8.597 -3.367 -11.204 1.00 54.25 H new ATOM 0 HB3 GLN A 50 10.105 -3.299 -12.094 1.00 54.25 H new ATOM 0 HG2 GLN A 50 8.947 -5.798 -10.795 1.00 2.21 H new ATOM 0 HG3 GLN A 50 8.828 -5.396 -12.497 1.00 2.21 H new ATOM 0 HE21 GLN A 50 9.994 -7.828 -11.481 1.00 50.02 H new ATOM 0 HE22 GLN A 50 11.712 -7.816 -11.891 1.00 50.02 H new ATOM 715 N SER A 51 9.821 -1.133 -9.615 1.00 0.32 N ATOM 716 CA SER A 51 10.003 0.309 -9.539 1.00 62.31 C ATOM 717 C SER A 51 10.970 0.680 -8.412 1.00 65.41 C ATOM 718 O SER A 51 11.856 1.522 -8.599 1.00 43.22 O ATOM 719 CB SER A 51 8.621 0.947 -9.332 1.00 64.44 C ATOM 720 OG SER A 51 8.677 2.353 -9.204 1.00 22.51 O ATOM 0 H SER A 51 8.871 -1.420 -9.380 1.00 0.32 H new ATOM 0 HA SER A 51 10.446 0.684 -10.462 1.00 62.31 H new ATOM 0 HB2 SER A 51 7.978 0.689 -10.174 1.00 64.44 H new ATOM 0 HB3 SER A 51 8.162 0.524 -8.439 1.00 64.44 H new ATOM 0 HG SER A 51 7.772 2.706 -9.076 1.00 22.51 H new ATOM 726 N ILE A 52 10.799 0.100 -7.220 1.00 73.22 N ATOM 727 CA ILE A 52 11.670 0.401 -6.089 1.00 32.52 C ATOM 728 C ILE A 52 13.100 0.007 -6.470 1.00 20.54 C ATOM 729 O ILE A 52 14.014 0.804 -6.265 1.00 40.24 O ATOM 730 CB ILE A 52 11.148 -0.272 -4.795 1.00 52.55 C ATOM 731 CG1 ILE A 52 9.783 0.342 -4.400 1.00 33.13 C ATOM 732 CG2 ILE A 52 12.134 -0.106 -3.621 1.00 64.20 C ATOM 733 CD1 ILE A 52 9.087 -0.399 -3.254 1.00 12.20 C ATOM 0 H ILE A 52 10.065 -0.579 -7.017 1.00 73.22 H new ATOM 0 HA ILE A 52 11.670 1.468 -5.865 1.00 32.52 H new ATOM 0 HB ILE A 52 11.041 -1.337 -5.001 1.00 52.55 H new ATOM 0 HG12 ILE A 52 9.932 1.383 -4.112 1.00 33.13 H new ATOM 0 HG13 ILE A 52 9.128 0.343 -5.272 1.00 33.13 H new ATOM 0 HG21 ILE A 52 11.729 -0.593 -2.734 1.00 64.20 H new ATOM 0 HG22 ILE A 52 13.089 -0.562 -3.881 1.00 64.20 H new ATOM 0 HG23 ILE A 52 12.282 0.955 -3.417 1.00 64.20 H new ATOM 0 HD11 ILE A 52 8.137 0.086 -3.031 1.00 12.20 H new ATOM 0 HD12 ILE A 52 8.906 -1.433 -3.546 1.00 12.20 H new ATOM 0 HD13 ILE A 52 9.722 -0.378 -2.368 1.00 12.20 H new ATOM 745 N GLN A 53 13.296 -1.177 -7.060 1.00 14.21 N ATOM 746 CA GLN A 53 14.611 -1.655 -7.459 1.00 23.25 C ATOM 747 C GLN A 53 15.297 -0.751 -8.481 1.00 33.51 C ATOM 748 O GLN A 53 16.471 -0.436 -8.287 1.00 11.31 O ATOM 749 CB GLN A 53 14.532 -3.085 -8.008 1.00 55.13 C ATOM 750 CG GLN A 53 14.286 -4.103 -6.894 1.00 74.41 C ATOM 751 CD GLN A 53 14.565 -5.513 -7.382 1.00 33.14 C ATOM 752 OE1 GLN A 53 15.682 -6.005 -7.240 1.00 32.31 O ATOM 753 NE2 GLN A 53 13.600 -6.212 -7.939 1.00 34.33 N ATOM 0 H GLN A 53 12.540 -1.828 -7.272 1.00 14.21 H new ATOM 0 HA GLN A 53 15.219 -1.641 -6.554 1.00 23.25 H new ATOM 0 HB2 GLN A 53 13.730 -3.149 -8.744 1.00 55.13 H new ATOM 0 HB3 GLN A 53 15.460 -3.328 -8.526 1.00 55.13 H new ATOM 0 HG2 GLN A 53 14.924 -3.876 -6.040 1.00 74.41 H new ATOM 0 HG3 GLN A 53 13.254 -4.030 -6.549 1.00 74.41 H new ATOM 0 HE21 GLN A 53 12.674 -5.801 -8.055 1.00 34.33 H new ATOM 0 HE22 GLN A 53 13.778 -7.166 -8.255 1.00 34.33 H new ATOM 762 N SER A 54 14.616 -0.339 -9.557 1.00 73.32 N ATOM 763 CA SER A 54 15.239 0.507 -10.570 1.00 25.34 C ATOM 764 C SER A 54 15.818 1.786 -9.966 1.00 60.31 C ATOM 765 O SER A 54 16.950 2.162 -10.297 1.00 2.55 O ATOM 766 CB SER A 54 14.276 0.812 -11.730 1.00 2.20 C ATOM 767 OG SER A 54 12.919 0.892 -11.336 1.00 32.21 O ATOM 0 H SER A 54 13.642 -0.578 -9.744 1.00 73.32 H new ATOM 0 HA SER A 54 16.074 -0.057 -10.985 1.00 25.34 H new ATOM 0 HB2 SER A 54 14.567 1.755 -12.194 1.00 2.20 H new ATOM 0 HB3 SER A 54 14.380 0.037 -12.490 1.00 2.20 H new ATOM 0 HG SER A 54 12.863 1.251 -10.426 1.00 32.21 H new ATOM 773 N LEU A 55 15.051 2.464 -9.110 1.00 25.34 N ATOM 774 CA LEU A 55 15.473 3.706 -8.470 1.00 54.12 C ATOM 775 C LEU A 55 16.569 3.452 -7.435 1.00 32.52 C ATOM 776 O LEU A 55 17.611 4.111 -7.491 1.00 41.42 O ATOM 777 CB LEU A 55 14.268 4.418 -7.825 1.00 62.21 C ATOM 778 CG LEU A 55 13.462 5.357 -8.746 1.00 54.34 C ATOM 779 CD1 LEU A 55 14.237 6.617 -9.142 1.00 44.44 C ATOM 780 CD2 LEU A 55 12.971 4.686 -10.037 1.00 40.54 C ATOM 0 H LEU A 55 14.114 2.163 -8.841 1.00 25.34 H new ATOM 0 HA LEU A 55 15.888 4.356 -9.240 1.00 54.12 H new ATOM 0 HB2 LEU A 55 13.591 3.659 -7.432 1.00 62.21 H new ATOM 0 HB3 LEU A 55 14.627 4.997 -6.974 1.00 62.21 H new ATOM 0 HG LEU A 55 12.601 5.628 -8.136 1.00 54.34 H new ATOM 0 HD11 LEU A 55 13.617 7.237 -9.790 1.00 44.44 H new ATOM 0 HD12 LEU A 55 14.500 7.179 -8.246 1.00 44.44 H new ATOM 0 HD13 LEU A 55 15.146 6.333 -9.673 1.00 44.44 H new ATOM 0 HD21 LEU A 55 12.413 5.408 -10.633 1.00 40.54 H new ATOM 0 HD22 LEU A 55 13.827 4.328 -10.609 1.00 40.54 H new ATOM 0 HD23 LEU A 55 12.324 3.845 -9.787 1.00 40.54 H new ATOM 792 N ALA A 56 16.352 2.495 -6.525 1.00 2.41 N ATOM 793 CA ALA A 56 17.290 2.148 -5.465 1.00 2.21 C ATOM 794 C ALA A 56 18.668 1.761 -6.002 1.00 32.31 C ATOM 795 O ALA A 56 19.671 2.211 -5.449 1.00 51.42 O ATOM 796 CB ALA A 56 16.717 1.022 -4.596 1.00 74.14 C ATOM 0 H ALA A 56 15.501 1.933 -6.510 1.00 2.41 H new ATOM 0 HA ALA A 56 17.428 3.041 -4.855 1.00 2.21 H new ATOM 0 HB1 ALA A 56 17.428 0.773 -3.808 1.00 74.14 H new ATOM 0 HB2 ALA A 56 15.779 1.350 -4.148 1.00 74.14 H new ATOM 0 HB3 ALA A 56 16.536 0.142 -5.213 1.00 74.14 H new ATOM 802 N ALA A 57 18.749 0.976 -7.082 1.00 25.15 N ATOM 803 CA ALA A 57 20.030 0.554 -7.650 1.00 11.31 C ATOM 804 C ALA A 57 20.916 1.748 -8.029 1.00 24.54 C ATOM 805 O ALA A 57 22.134 1.689 -7.866 1.00 51.22 O ATOM 806 CB ALA A 57 19.783 -0.350 -8.860 1.00 44.10 C ATOM 0 H ALA A 57 17.935 0.619 -7.582 1.00 25.15 H new ATOM 0 HA ALA A 57 20.570 -0.006 -6.886 1.00 11.31 H new ATOM 0 HB1 ALA A 57 20.738 -0.663 -9.281 1.00 44.10 H new ATOM 0 HB2 ALA A 57 19.218 -1.229 -8.548 1.00 44.10 H new ATOM 0 HB3 ALA A 57 19.216 0.197 -9.613 1.00 44.10 H new ATOM 812 N GLN A 58 20.324 2.840 -8.521 1.00 31.50 N ATOM 813 CA GLN A 58 21.060 4.041 -8.910 1.00 74.31 C ATOM 814 C GLN A 58 21.458 4.908 -7.702 1.00 13.21 C ATOM 815 O GLN A 58 22.286 5.808 -7.856 1.00 61.03 O ATOM 816 CB GLN A 58 20.227 4.835 -9.927 1.00 13.42 C ATOM 817 CG GLN A 58 20.400 4.308 -11.358 1.00 52.25 C ATOM 818 CD GLN A 58 19.539 5.080 -12.354 1.00 51.32 C ATOM 819 OE1 GLN A 58 19.488 6.309 -12.320 1.00 35.44 O ATOM 820 NE2 GLN A 58 18.817 4.406 -13.237 1.00 52.33 N ATOM 0 H GLN A 58 19.316 2.914 -8.660 1.00 31.50 H new ATOM 0 HA GLN A 58 21.998 3.733 -9.373 1.00 74.31 H new ATOM 0 HB2 GLN A 58 19.174 4.786 -9.649 1.00 13.42 H new ATOM 0 HB3 GLN A 58 20.518 5.885 -9.891 1.00 13.42 H new ATOM 0 HG2 GLN A 58 21.448 4.383 -11.649 1.00 52.25 H new ATOM 0 HG3 GLN A 58 20.135 3.251 -11.391 1.00 52.25 H new ATOM 0 HE21 GLN A 58 18.862 3.387 -13.262 1.00 52.33 H new ATOM 0 HE22 GLN A 58 18.216 4.906 -13.892 1.00 52.33 H new ATOM 829 N GLY A 59 20.915 4.671 -6.502 1.00 62.14 N ATOM 830 CA GLY A 59 21.260 5.444 -5.312 1.00 10.13 C ATOM 831 C GLY A 59 20.625 6.837 -5.257 1.00 42.23 C ATOM 832 O GLY A 59 21.179 7.733 -4.613 1.00 12.44 O ATOM 0 H GLY A 59 20.226 3.938 -6.333 1.00 62.14 H new ATOM 0 HA2 GLY A 59 20.955 4.884 -4.428 1.00 10.13 H new ATOM 0 HA3 GLY A 59 22.344 5.550 -5.264 1.00 10.13 H new ATOM 836 N ARG A 60 19.511 7.077 -5.963 1.00 42.14 N ATOM 837 CA ARG A 60 18.845 8.382 -5.979 1.00 34.11 C ATOM 838 C ARG A 60 17.331 8.237 -5.911 1.00 34.42 C ATOM 839 O ARG A 60 16.708 7.983 -6.942 1.00 52.52 O ATOM 840 CB ARG A 60 19.247 9.211 -7.220 1.00 34.41 C ATOM 841 CG ARG A 60 20.730 9.614 -7.268 1.00 32.11 C ATOM 842 CD ARG A 60 21.025 10.581 -8.424 1.00 0.13 C ATOM 843 NE ARG A 60 20.426 11.910 -8.213 1.00 61.03 N ATOM 844 CZ ARG A 60 20.246 12.859 -9.139 1.00 22.32 C ATOM 845 NH1 ARG A 60 20.575 12.674 -10.411 1.00 74.14 N ATOM 846 NH2 ARG A 60 19.725 14.020 -8.771 1.00 74.34 N ATOM 0 H ARG A 60 19.049 6.372 -6.537 1.00 42.14 H new ATOM 0 HA ARG A 60 19.178 8.917 -5.090 1.00 34.11 H new ATOM 0 HB2 ARG A 60 19.011 8.637 -8.116 1.00 34.41 H new ATOM 0 HB3 ARG A 60 18.638 10.114 -7.250 1.00 34.41 H new ATOM 0 HG2 ARG A 60 21.010 10.081 -6.324 1.00 32.11 H new ATOM 0 HG3 ARG A 60 21.345 8.721 -7.376 1.00 32.11 H new ATOM 0 HD2 ARG A 60 22.104 10.686 -8.539 1.00 0.13 H new ATOM 0 HD3 ARG A 60 20.645 10.158 -9.354 1.00 0.13 H new ATOM 0 HE ARG A 60 20.117 12.129 -7.266 1.00 61.03 H new ATOM 0 HH11 ARG A 60 20.979 11.786 -10.709 1.00 74.14 H new ATOM 0 HH12 ARG A 60 20.424 13.420 -11.090 1.00 74.14 H new ATOM 0 HH21 ARG A 60 19.469 14.178 -7.796 1.00 74.34 H new ATOM 0 HH22 ARG A 60 19.580 14.756 -9.462 1.00 74.34 H new ATOM 860 N THR A 61 16.743 8.392 -4.730 1.00 3.33 N ATOM 861 CA THR A 61 15.303 8.318 -4.550 1.00 52.03 C ATOM 862 C THR A 61 14.956 9.380 -3.510 1.00 74.24 C ATOM 863 O THR A 61 15.085 9.160 -2.304 1.00 60.40 O ATOM 864 CB THR A 61 14.783 6.903 -4.205 1.00 32.21 C ATOM 865 OG1 THR A 61 15.640 5.878 -4.673 1.00 75.32 O ATOM 866 CG2 THR A 61 13.410 6.702 -4.852 1.00 51.14 C ATOM 0 H THR A 61 17.257 8.573 -3.868 1.00 3.33 H new ATOM 0 HA THR A 61 14.789 8.521 -5.489 1.00 52.03 H new ATOM 0 HB THR A 61 14.733 6.837 -3.118 1.00 32.21 H new ATOM 0 HG1 THR A 61 15.269 5.004 -4.429 1.00 75.32 H new ATOM 0 HG21 THR A 61 13.037 5.706 -4.613 1.00 51.14 H new ATOM 0 HG22 THR A 61 12.715 7.451 -4.471 1.00 51.14 H new ATOM 0 HG23 THR A 61 13.499 6.806 -5.933 1.00 51.14 H new ATOM 874 N SER A 62 14.592 10.569 -3.992 1.00 31.21 N ATOM 875 CA SER A 62 14.210 11.708 -3.168 1.00 4.10 C ATOM 876 C SER A 62 13.029 11.289 -2.283 1.00 32.25 C ATOM 877 O SER A 62 12.130 10.626 -2.797 1.00 22.42 O ATOM 878 CB SER A 62 13.803 12.851 -4.107 1.00 3.32 C ATOM 879 OG SER A 62 14.882 13.218 -4.949 1.00 43.41 O ATOM 0 H SER A 62 14.555 10.768 -4.992 1.00 31.21 H new ATOM 0 HA SER A 62 15.030 12.037 -2.530 1.00 4.10 H new ATOM 0 HB2 SER A 62 12.951 12.544 -4.713 1.00 3.32 H new ATOM 0 HB3 SER A 62 13.483 13.713 -3.521 1.00 3.32 H new ATOM 0 HG SER A 62 14.602 13.947 -5.541 1.00 43.41 H new ATOM 885 N PRO A 63 12.939 11.683 -1.001 1.00 24.12 N ATOM 886 CA PRO A 63 11.823 11.278 -0.145 1.00 20.40 C ATOM 887 C PRO A 63 10.489 11.816 -0.664 1.00 12.12 C ATOM 888 O PRO A 63 9.451 11.189 -0.453 1.00 14.31 O ATOM 889 CB PRO A 63 12.154 11.802 1.255 1.00 2.51 C ATOM 890 CG PRO A 63 13.086 12.975 0.966 1.00 52.53 C ATOM 891 CD PRO A 63 13.884 12.480 -0.243 1.00 4.44 C ATOM 0 HA PRO A 63 11.704 10.195 -0.134 1.00 20.40 H new ATOM 0 HB2 PRO A 63 11.259 12.119 1.790 1.00 2.51 H new ATOM 0 HB3 PRO A 63 12.639 11.042 1.867 1.00 2.51 H new ATOM 0 HG2 PRO A 63 12.532 13.886 0.740 1.00 52.53 H new ATOM 0 HG3 PRO A 63 13.733 13.197 1.815 1.00 52.53 H new ATOM 0 HD2 PRO A 63 14.265 13.312 -0.835 1.00 4.44 H new ATOM 0 HD3 PRO A 63 14.745 11.887 0.066 1.00 4.44 H new ATOM 899 N ASN A 64 10.522 12.933 -1.394 1.00 14.24 N ATOM 900 CA ASN A 64 9.339 13.562 -1.960 1.00 31.13 C ATOM 901 C ASN A 64 8.771 12.634 -3.033 1.00 64.24 C ATOM 902 O ASN A 64 7.654 12.150 -2.913 1.00 51.40 O ATOM 903 CB ASN A 64 9.659 14.939 -2.581 1.00 34.51 C ATOM 904 CG ASN A 64 10.422 15.917 -1.693 1.00 71.34 C ATOM 905 OD1 ASN A 64 10.824 15.625 -0.571 1.00 25.53 O ATOM 906 ND2 ASN A 64 10.692 17.097 -2.202 1.00 11.45 N ATOM 0 H ASN A 64 11.387 13.429 -1.609 1.00 14.24 H new ATOM 0 HA ASN A 64 8.615 13.727 -1.162 1.00 31.13 H new ATOM 0 HB2 ASN A 64 10.238 14.779 -3.490 1.00 34.51 H new ATOM 0 HB3 ASN A 64 8.721 15.407 -2.879 1.00 34.51 H new ATOM 0 HD21 ASN A 64 11.236 17.772 -1.665 1.00 11.45 H new ATOM 0 HD22 ASN A 64 10.357 17.339 -3.135 1.00 11.45 H new ATOM 913 N LYS A 65 9.583 12.308 -4.052 1.00 53.42 N ATOM 914 CA LYS A 65 9.167 11.441 -5.153 1.00 33.32 C ATOM 915 C LYS A 65 8.891 10.018 -4.677 1.00 3.30 C ATOM 916 O LYS A 65 8.059 9.340 -5.271 1.00 43.14 O ATOM 917 CB LYS A 65 10.175 11.521 -6.313 1.00 72.25 C ATOM 918 CG LYS A 65 11.414 10.615 -6.198 1.00 41.35 C ATOM 919 CD LYS A 65 11.258 9.290 -6.953 1.00 11.14 C ATOM 920 CE LYS A 65 11.578 9.538 -8.425 1.00 71.45 C ATOM 921 NZ LYS A 65 11.049 8.471 -9.300 1.00 43.15 N ATOM 0 H LYS A 65 10.544 12.641 -4.130 1.00 53.42 H new ATOM 0 HA LYS A 65 8.215 11.802 -5.543 1.00 33.32 H new ATOM 0 HB2 LYS A 65 9.654 11.274 -7.238 1.00 72.25 H new ATOM 0 HB3 LYS A 65 10.512 12.554 -6.404 1.00 72.25 H new ATOM 0 HG2 LYS A 65 12.284 11.147 -6.584 1.00 41.35 H new ATOM 0 HG3 LYS A 65 11.609 10.407 -5.146 1.00 41.35 H new ATOM 0 HD2 LYS A 65 11.929 8.536 -6.540 1.00 11.14 H new ATOM 0 HD3 LYS A 65 10.243 8.908 -6.844 1.00 11.14 H new ATOM 0 HE2 LYS A 65 11.158 10.497 -8.730 1.00 71.45 H new ATOM 0 HE3 LYS A 65 12.658 9.608 -8.553 1.00 71.45 H new ATOM 0 HZ1 LYS A 65 11.290 8.682 -10.289 1.00 43.15 H new ATOM 0 HZ2 LYS A 65 11.469 7.559 -9.028 1.00 43.15 H new ATOM 0 HZ3 LYS A 65 10.015 8.420 -9.199 1.00 43.15 H new ATOM 935 N LEU A 66 9.588 9.567 -3.629 1.00 34.11 N ATOM 936 CA LEU A 66 9.425 8.244 -3.043 1.00 63.12 C ATOM 937 C LEU A 66 7.960 8.066 -2.647 1.00 43.32 C ATOM 938 O LEU A 66 7.375 7.027 -2.922 1.00 14.41 O ATOM 939 CB LEU A 66 10.342 8.123 -1.812 1.00 13.41 C ATOM 940 CG LEU A 66 10.419 6.712 -1.218 1.00 35.14 C ATOM 941 CD1 LEU A 66 11.393 5.856 -2.021 1.00 40.40 C ATOM 942 CD2 LEU A 66 10.883 6.779 0.241 1.00 64.32 C ATOM 0 H LEU A 66 10.296 10.129 -3.158 1.00 34.11 H new ATOM 0 HA LEU A 66 9.699 7.467 -3.757 1.00 63.12 H new ATOM 0 HB2 LEU A 66 11.346 8.443 -2.089 1.00 13.41 H new ATOM 0 HB3 LEU A 66 9.990 8.810 -1.042 1.00 13.41 H new ATOM 0 HG LEU A 66 9.427 6.263 -1.260 1.00 35.14 H new ATOM 0 HD11 LEU A 66 11.439 4.856 -1.590 1.00 40.40 H new ATOM 0 HD12 LEU A 66 11.053 5.790 -3.054 1.00 40.40 H new ATOM 0 HD13 LEU A 66 12.384 6.309 -1.993 1.00 40.40 H new ATOM 0 HD21 LEU A 66 10.934 5.771 0.653 1.00 64.32 H new ATOM 0 HD22 LEU A 66 11.869 7.241 0.288 1.00 64.32 H new ATOM 0 HD23 LEU A 66 10.176 7.373 0.821 1.00 64.32 H new ATOM 954 N GLN A 67 7.365 9.108 -2.061 1.00 3.22 N ATOM 955 CA GLN A 67 5.986 9.121 -1.612 1.00 51.43 C ATOM 956 C GLN A 67 5.006 8.833 -2.749 1.00 63.24 C ATOM 957 O GLN A 67 4.018 8.142 -2.528 1.00 42.14 O ATOM 958 CB GLN A 67 5.703 10.491 -0.989 1.00 1.00 C ATOM 959 CG GLN A 67 4.477 10.485 -0.078 1.00 71.42 C ATOM 960 CD GLN A 67 4.227 11.874 0.493 1.00 34.42 C ATOM 961 OE1 GLN A 67 3.176 12.469 0.288 1.00 60.45 O ATOM 962 NE2 GLN A 67 5.156 12.408 1.269 1.00 64.40 N ATOM 0 H GLN A 67 7.851 9.987 -1.884 1.00 3.22 H new ATOM 0 HA GLN A 67 5.844 8.329 -0.877 1.00 51.43 H new ATOM 0 HB2 GLN A 67 6.574 10.812 -0.417 1.00 1.00 H new ATOM 0 HB3 GLN A 67 5.556 11.223 -1.783 1.00 1.00 H new ATOM 0 HG2 GLN A 67 3.603 10.153 -0.638 1.00 71.42 H new ATOM 0 HG3 GLN A 67 4.624 9.773 0.734 1.00 71.42 H new ATOM 0 HE21 GLN A 67 6.029 11.909 1.437 1.00 64.40 H new ATOM 0 HE22 GLN A 67 4.999 13.319 1.700 1.00 64.40 H new ATOM 971 N ALA A 68 5.274 9.301 -3.975 1.00 35.43 N ATOM 972 CA ALA A 68 4.387 9.078 -5.115 1.00 73.43 C ATOM 973 C ALA A 68 4.130 7.587 -5.384 1.00 73.24 C ATOM 974 O ALA A 68 3.118 7.240 -6.007 1.00 74.24 O ATOM 975 CB ALA A 68 4.962 9.758 -6.360 1.00 52.20 C ATOM 0 H ALA A 68 6.109 9.842 -4.200 1.00 35.43 H new ATOM 0 HA ALA A 68 3.422 9.520 -4.868 1.00 73.43 H new ATOM 0 HB1 ALA A 68 4.297 9.589 -7.207 1.00 52.20 H new ATOM 0 HB2 ALA A 68 5.054 10.829 -6.180 1.00 52.20 H new ATOM 0 HB3 ALA A 68 5.945 9.341 -6.581 1.00 52.20 H new ATOM 981 N LEU A 69 5.040 6.706 -4.955 1.00 44.24 N ATOM 982 CA LEU A 69 4.918 5.262 -5.125 1.00 34.13 C ATOM 983 C LEU A 69 3.757 4.750 -4.272 1.00 22.53 C ATOM 984 O LEU A 69 3.021 3.849 -4.683 1.00 53.33 O ATOM 985 CB LEU A 69 6.210 4.555 -4.670 1.00 23.55 C ATOM 986 CG LEU A 69 7.495 5.013 -5.384 1.00 11.32 C ATOM 987 CD1 LEU A 69 8.718 4.336 -4.756 1.00 33.52 C ATOM 988 CD2 LEU A 69 7.443 4.695 -6.877 1.00 3.32 C ATOM 0 H LEU A 69 5.894 6.985 -4.473 1.00 44.24 H new ATOM 0 HA LEU A 69 4.741 5.049 -6.179 1.00 34.13 H new ATOM 0 HB2 LEU A 69 6.333 4.713 -3.598 1.00 23.55 H new ATOM 0 HB3 LEU A 69 6.091 3.482 -4.823 1.00 23.55 H new ATOM 0 HG LEU A 69 7.575 6.094 -5.265 1.00 11.32 H new ATOM 0 HD11 LEU A 69 9.621 4.667 -5.269 1.00 33.52 H new ATOM 0 HD12 LEU A 69 8.781 4.604 -3.701 1.00 33.52 H new ATOM 0 HD13 LEU A 69 8.624 3.254 -4.850 1.00 33.52 H new ATOM 0 HD21 LEU A 69 8.364 5.031 -7.353 1.00 3.32 H new ATOM 0 HD22 LEU A 69 7.333 3.620 -7.016 1.00 3.32 H new ATOM 0 HD23 LEU A 69 6.594 5.208 -7.329 1.00 3.32 H new ATOM 1000 N ASN A 70 3.590 5.356 -3.099 1.00 73.43 N ATOM 1001 CA ASN A 70 2.590 5.068 -2.089 1.00 53.43 C ATOM 1002 C ASN A 70 1.200 5.387 -2.618 1.00 43.34 C ATOM 1003 O ASN A 70 0.273 4.611 -2.391 1.00 60.11 O ATOM 1004 CB ASN A 70 2.807 5.903 -0.810 1.00 74.34 C ATOM 1005 CG ASN A 70 4.232 6.019 -0.276 1.00 5.32 C ATOM 1006 OD1 ASN A 70 5.217 5.657 -0.905 1.00 21.40 O ATOM 1007 ND2 ASN A 70 4.381 6.583 0.906 1.00 2.35 N ATOM 0 H ASN A 70 4.202 6.121 -2.813 1.00 73.43 H new ATOM 0 HA ASN A 70 2.683 4.009 -1.849 1.00 53.43 H new ATOM 0 HB2 ASN A 70 2.436 6.910 -0.999 1.00 74.34 H new ATOM 0 HB3 ASN A 70 2.186 5.478 -0.022 1.00 74.34 H new ATOM 0 HD21 ASN A 70 5.315 6.716 1.293 1.00 2.35 H new ATOM 0 HD22 ASN A 70 3.562 6.886 1.433 1.00 2.35 H new ATOM 1014 N MET A 71 1.033 6.526 -3.302 1.00 1.34 N ATOM 1015 CA MET A 71 -0.258 6.932 -3.859 1.00 50.13 C ATOM 1016 C MET A 71 -0.735 5.857 -4.829 1.00 55.32 C ATOM 1017 O MET A 71 -1.882 5.421 -4.765 1.00 43.20 O ATOM 1018 CB MET A 71 -0.171 8.284 -4.586 1.00 74.43 C ATOM 1019 CG MET A 71 -0.115 9.502 -3.662 1.00 61.34 C ATOM 1020 SD MET A 71 1.369 9.675 -2.650 1.00 2.43 S ATOM 1021 CE MET A 71 1.592 11.466 -2.754 1.00 12.31 C ATOM 0 H MET A 71 1.788 7.188 -3.483 1.00 1.34 H new ATOM 0 HA MET A 71 -0.964 7.049 -3.037 1.00 50.13 H new ATOM 0 HB2 MET A 71 0.716 8.284 -5.220 1.00 74.43 H new ATOM 0 HB3 MET A 71 -1.034 8.384 -5.245 1.00 74.43 H new ATOM 0 HG2 MET A 71 -0.218 10.399 -4.273 1.00 61.34 H new ATOM 0 HG3 MET A 71 -0.979 9.467 -2.998 1.00 61.34 H new ATOM 0 HE1 MET A 71 2.472 11.757 -2.181 1.00 12.31 H new ATOM 0 HE2 MET A 71 1.725 11.756 -3.796 1.00 12.31 H new ATOM 0 HE3 MET A 71 0.713 11.966 -2.348 1.00 12.31 H new ATOM 1031 N ALA A 72 0.158 5.403 -5.713 1.00 41.35 N ATOM 1032 CA ALA A 72 -0.171 4.372 -6.686 1.00 71.41 C ATOM 1033 C ALA A 72 -0.604 3.069 -6.000 1.00 40.32 C ATOM 1034 O ALA A 72 -1.528 2.414 -6.480 1.00 74.42 O ATOM 1035 CB ALA A 72 1.018 4.128 -7.603 1.00 53.45 C ATOM 0 H ALA A 72 1.119 5.740 -5.770 1.00 41.35 H new ATOM 0 HA ALA A 72 -1.014 4.722 -7.282 1.00 71.41 H new ATOM 0 HB1 ALA A 72 0.765 3.355 -8.329 1.00 53.45 H new ATOM 0 HB2 ALA A 72 1.268 5.050 -8.127 1.00 53.45 H new ATOM 0 HB3 ALA A 72 1.874 3.803 -7.011 1.00 53.45 H new ATOM 1041 N PHE A 73 0.036 2.696 -4.886 1.00 42.43 N ATOM 1042 CA PHE A 73 -0.315 1.487 -4.150 1.00 20.55 C ATOM 1043 C PHE A 73 -1.778 1.572 -3.697 1.00 41.32 C ATOM 1044 O PHE A 73 -2.585 0.694 -4.001 1.00 32.21 O ATOM 1045 CB PHE A 73 0.625 1.313 -2.946 1.00 23.22 C ATOM 1046 CG PHE A 73 0.310 0.095 -2.107 1.00 42.20 C ATOM 1047 CD1 PHE A 73 -0.185 0.246 -0.796 1.00 40.44 C ATOM 1048 CD2 PHE A 73 0.479 -1.191 -2.649 1.00 61.03 C ATOM 1049 CE1 PHE A 73 -0.511 -0.887 -0.033 1.00 0.31 C ATOM 1050 CE2 PHE A 73 0.136 -2.320 -1.891 1.00 52.01 C ATOM 1051 CZ PHE A 73 -0.374 -2.169 -0.591 1.00 54.30 C ATOM 0 H PHE A 73 0.806 3.223 -4.475 1.00 42.43 H new ATOM 0 HA PHE A 73 -0.200 0.617 -4.797 1.00 20.55 H new ATOM 0 HB2 PHE A 73 1.652 1.242 -3.304 1.00 23.22 H new ATOM 0 HB3 PHE A 73 0.567 2.202 -2.318 1.00 23.22 H new ATOM 0 HD1 PHE A 73 -0.314 1.233 -0.378 1.00 40.44 H new ATOM 0 HD2 PHE A 73 0.872 -1.309 -3.648 1.00 61.03 H new ATOM 0 HE1 PHE A 73 -0.866 -0.773 0.981 1.00 0.31 H new ATOM 0 HE2 PHE A 73 0.264 -3.308 -2.308 1.00 52.01 H new ATOM 0 HZ PHE A 73 -0.661 -3.039 -0.020 1.00 54.30 H new ATOM 1061 N ALA A 74 -2.121 2.652 -2.986 1.00 45.22 N ATOM 1062 CA ALA A 74 -3.471 2.878 -2.488 1.00 2.21 C ATOM 1063 C ALA A 74 -4.484 2.989 -3.632 1.00 40.20 C ATOM 1064 O ALA A 74 -5.615 2.528 -3.480 1.00 31.12 O ATOM 1065 CB ALA A 74 -3.476 4.125 -1.614 1.00 44.14 C ATOM 0 H ALA A 74 -1.464 3.393 -2.742 1.00 45.22 H new ATOM 0 HA ALA A 74 -3.777 2.020 -1.889 1.00 2.21 H new ATOM 0 HB1 ALA A 74 -4.483 4.301 -1.237 1.00 44.14 H new ATOM 0 HB2 ALA A 74 -2.794 3.984 -0.775 1.00 44.14 H new ATOM 0 HB3 ALA A 74 -3.154 4.984 -2.203 1.00 44.14 H new ATOM 1071 N SER A 75 -4.078 3.562 -4.768 1.00 61.44 N ATOM 1072 CA SER A 75 -4.925 3.706 -5.941 1.00 50.22 C ATOM 1073 C SER A 75 -5.331 2.304 -6.415 1.00 14.10 C ATOM 1074 O SER A 75 -6.513 2.065 -6.656 1.00 3.41 O ATOM 1075 CB SER A 75 -4.166 4.525 -6.994 1.00 3.22 C ATOM 1076 OG SER A 75 -4.887 4.649 -8.197 1.00 51.14 O ATOM 0 H SER A 75 -3.140 3.941 -4.894 1.00 61.44 H new ATOM 0 HA SER A 75 -5.846 4.249 -5.728 1.00 50.22 H new ATOM 0 HB2 SER A 75 -3.955 5.517 -6.596 1.00 3.22 H new ATOM 0 HB3 SER A 75 -3.205 4.051 -7.196 1.00 3.22 H new ATOM 0 HG SER A 75 -5.670 5.220 -8.052 1.00 51.14 H new ATOM 1082 N SER A 76 -4.396 1.344 -6.488 1.00 54.14 N ATOM 1083 CA SER A 76 -4.729 -0.012 -6.924 1.00 2.31 C ATOM 1084 C SER A 76 -5.647 -0.683 -5.904 1.00 60.10 C ATOM 1085 O SER A 76 -6.573 -1.396 -6.287 1.00 35.14 O ATOM 1086 CB SER A 76 -3.459 -0.835 -7.153 1.00 53.31 C ATOM 1087 OG SER A 76 -2.700 -0.278 -8.211 1.00 70.44 O ATOM 0 H SER A 76 -3.414 1.484 -6.252 1.00 54.14 H new ATOM 0 HA SER A 76 -5.260 0.046 -7.874 1.00 2.31 H new ATOM 0 HB2 SER A 76 -2.863 -0.859 -6.241 1.00 53.31 H new ATOM 0 HB3 SER A 76 -3.722 -1.866 -7.388 1.00 53.31 H new ATOM 0 HG SER A 76 -1.889 -0.811 -8.348 1.00 70.44 H new ATOM 1093 N LEU A 77 -5.417 -0.452 -4.607 1.00 65.44 N ATOM 1094 CA LEU A 77 -6.252 -1.032 -3.563 1.00 73.51 C ATOM 1095 C LEU A 77 -7.700 -0.566 -3.755 1.00 21.10 C ATOM 1096 O LEU A 77 -8.618 -1.371 -3.623 1.00 65.44 O ATOM 1097 CB LEU A 77 -5.749 -0.634 -2.164 1.00 42.31 C ATOM 1098 CG LEU A 77 -4.431 -1.284 -1.708 1.00 73.42 C ATOM 1099 CD1 LEU A 77 -4.017 -0.685 -0.357 1.00 50.43 C ATOM 1100 CD2 LEU A 77 -4.548 -2.802 -1.544 1.00 20.04 C ATOM 0 H LEU A 77 -4.657 0.134 -4.260 1.00 65.44 H new ATOM 0 HA LEU A 77 -6.202 -2.118 -3.639 1.00 73.51 H new ATOM 0 HB2 LEU A 77 -5.624 0.449 -2.140 1.00 42.31 H new ATOM 0 HB3 LEU A 77 -6.523 -0.882 -1.438 1.00 42.31 H new ATOM 0 HG LEU A 77 -3.689 -1.084 -2.481 1.00 73.42 H new ATOM 0 HD11 LEU A 77 -3.083 -1.141 -0.028 1.00 50.43 H new ATOM 0 HD12 LEU A 77 -3.878 0.391 -0.463 1.00 50.43 H new ATOM 0 HD13 LEU A 77 -4.796 -0.879 0.381 1.00 50.43 H new ATOM 0 HD21 LEU A 77 -3.589 -3.208 -1.221 1.00 20.04 H new ATOM 0 HD22 LEU A 77 -5.309 -3.030 -0.797 1.00 20.04 H new ATOM 0 HD23 LEU A 77 -4.829 -3.250 -2.497 1.00 20.04 H new ATOM 1112 N ALA A 78 -7.906 0.717 -4.065 1.00 44.33 N ATOM 1113 CA ALA A 78 -9.221 1.304 -4.283 1.00 33.14 C ATOM 1114 C ALA A 78 -9.829 0.873 -5.613 1.00 73.20 C ATOM 1115 O ALA A 78 -11.035 0.652 -5.674 1.00 32.04 O ATOM 1116 CB ALA A 78 -9.104 2.821 -4.263 1.00 55.21 C ATOM 0 H ALA A 78 -7.144 1.386 -4.173 1.00 44.33 H new ATOM 0 HA ALA A 78 -9.875 0.954 -3.484 1.00 33.14 H new ATOM 0 HB1 ALA A 78 -10.087 3.264 -4.426 1.00 55.21 H new ATOM 0 HB2 ALA A 78 -8.716 3.143 -3.297 1.00 55.21 H new ATOM 0 HB3 ALA A 78 -8.425 3.144 -5.052 1.00 55.21 H new ATOM 1122 N GLU A 79 -9.009 0.723 -6.655 1.00 24.03 N ATOM 1123 CA GLU A 79 -9.436 0.320 -7.988 1.00 3.40 C ATOM 1124 C GLU A 79 -10.182 -1.008 -7.884 1.00 74.42 C ATOM 1125 O GLU A 79 -11.334 -1.111 -8.315 1.00 11.13 O ATOM 1126 CB GLU A 79 -8.202 0.210 -8.905 1.00 44.40 C ATOM 1127 CG GLU A 79 -8.559 0.031 -10.383 1.00 74.13 C ATOM 1128 CD GLU A 79 -8.980 1.364 -11.000 1.00 35.23 C ATOM 1129 OE1 GLU A 79 -8.122 2.041 -11.611 1.00 14.14 O ATOM 1130 OE2 GLU A 79 -10.156 1.767 -10.826 1.00 74.41 O ATOM 0 H GLU A 79 -8.004 0.884 -6.589 1.00 24.03 H new ATOM 0 HA GLU A 79 -10.110 1.060 -8.420 1.00 3.40 H new ATOM 0 HB2 GLU A 79 -7.593 1.107 -8.792 1.00 44.40 H new ATOM 0 HB3 GLU A 79 -7.592 -0.633 -8.581 1.00 44.40 H new ATOM 0 HG2 GLU A 79 -7.702 -0.372 -10.923 1.00 74.13 H new ATOM 0 HG3 GLU A 79 -9.367 -0.693 -10.482 1.00 74.13 H new ATOM 1137 N ILE A 80 -9.524 -1.990 -7.261 1.00 70.32 N ATOM 1138 CA ILE A 80 -10.047 -3.329 -7.041 1.00 43.22 C ATOM 1139 C ILE A 80 -11.212 -3.244 -6.042 1.00 2.53 C ATOM 1140 O ILE A 80 -12.225 -3.911 -6.235 1.00 41.52 O ATOM 1141 CB ILE A 80 -8.899 -4.252 -6.568 1.00 42.14 C ATOM 1142 CG1 ILE A 80 -7.693 -4.303 -7.543 1.00 25.31 C ATOM 1143 CG2 ILE A 80 -9.386 -5.681 -6.271 1.00 45.44 C ATOM 1144 CD1 ILE A 80 -7.952 -4.935 -8.912 1.00 64.02 C ATOM 0 H ILE A 80 -8.584 -1.864 -6.887 1.00 70.32 H new ATOM 0 HA ILE A 80 -10.440 -3.763 -7.961 1.00 43.22 H new ATOM 0 HB ILE A 80 -8.548 -3.796 -5.642 1.00 42.14 H new ATOM 0 HG12 ILE A 80 -7.336 -3.285 -7.699 1.00 25.31 H new ATOM 0 HG13 ILE A 80 -6.886 -4.853 -7.060 1.00 25.31 H new ATOM 0 HG21 ILE A 80 -8.545 -6.291 -5.942 1.00 45.44 H new ATOM 0 HG22 ILE A 80 -10.142 -5.652 -5.486 1.00 45.44 H new ATOM 0 HG23 ILE A 80 -9.817 -6.113 -7.174 1.00 45.44 H new ATOM 0 HD11 ILE A 80 -7.036 -4.912 -9.502 1.00 64.02 H new ATOM 0 HD12 ILE A 80 -8.274 -5.968 -8.781 1.00 64.02 H new ATOM 0 HD13 ILE A 80 -8.731 -4.375 -9.430 1.00 64.02 H new ATOM 1156 N ALA A 81 -11.123 -2.409 -4.994 1.00 64.44 N ATOM 1157 CA ALA A 81 -12.199 -2.273 -4.013 1.00 23.24 C ATOM 1158 C ALA A 81 -13.510 -1.812 -4.651 1.00 33.50 C ATOM 1159 O ALA A 81 -14.583 -2.216 -4.200 1.00 32.22 O ATOM 1160 CB ALA A 81 -11.799 -1.317 -2.884 1.00 45.02 C ATOM 0 H ALA A 81 -10.312 -1.819 -4.809 1.00 64.44 H new ATOM 0 HA ALA A 81 -12.365 -3.265 -3.594 1.00 23.24 H new ATOM 0 HB1 ALA A 81 -12.618 -1.235 -2.169 1.00 45.02 H new ATOM 0 HB2 ALA A 81 -10.913 -1.702 -2.378 1.00 45.02 H new ATOM 0 HB3 ALA A 81 -11.581 -0.333 -3.300 1.00 45.02 H new ATOM 1166 N ALA A 82 -13.428 -0.962 -5.673 1.00 72.32 N ATOM 1167 CA ALA A 82 -14.563 -0.425 -6.407 1.00 5.10 C ATOM 1168 C ALA A 82 -15.021 -1.356 -7.543 1.00 74.04 C ATOM 1169 O ALA A 82 -15.994 -1.040 -8.241 1.00 11.14 O ATOM 1170 CB ALA A 82 -14.131 0.923 -6.984 1.00 75.23 C ATOM 0 H ALA A 82 -12.534 -0.618 -6.023 1.00 72.32 H new ATOM 0 HA ALA A 82 -15.411 -0.323 -5.730 1.00 5.10 H new ATOM 0 HB1 ALA A 82 -14.957 1.361 -7.544 1.00 75.23 H new ATOM 0 HB2 ALA A 82 -13.848 1.593 -6.172 1.00 75.23 H new ATOM 0 HB3 ALA A 82 -13.279 0.778 -7.648 1.00 75.23 H new ATOM 1176 N SER A 83 -14.306 -2.451 -7.798 1.00 54.03 N ATOM 1177 CA SER A 83 -14.631 -3.414 -8.835 1.00 15.24 C ATOM 1178 C SER A 83 -15.839 -4.255 -8.406 1.00 73.22 C ATOM 1179 O SER A 83 -16.378 -4.115 -7.306 1.00 33.32 O ATOM 1180 CB SER A 83 -13.395 -4.298 -9.051 1.00 52.24 C ATOM 1181 OG SER A 83 -13.502 -5.098 -10.214 1.00 70.22 O ATOM 0 H SER A 83 -13.466 -2.694 -7.273 1.00 54.03 H new ATOM 0 HA SER A 83 -14.894 -2.911 -9.766 1.00 15.24 H new ATOM 0 HB2 SER A 83 -12.509 -3.667 -9.127 1.00 52.24 H new ATOM 0 HB3 SER A 83 -13.255 -4.941 -8.182 1.00 52.24 H new ATOM 0 HG SER A 83 -12.693 -5.642 -10.312 1.00 70.22 H new ATOM 1187 N GLU A 84 -16.301 -5.110 -9.319 1.00 14.34 N ATOM 1188 CA GLU A 84 -17.413 -6.013 -9.057 1.00 61.21 C ATOM 1189 C GLU A 84 -16.888 -7.125 -8.133 1.00 71.14 C ATOM 1190 O GLU A 84 -17.654 -7.725 -7.379 1.00 20.11 O ATOM 1191 CB GLU A 84 -17.942 -6.587 -10.377 1.00 0.43 C ATOM 1192 CG GLU A 84 -18.550 -5.498 -11.277 1.00 25.44 C ATOM 1193 CD GLU A 84 -18.843 -6.035 -12.676 1.00 55.23 C ATOM 1194 OE1 GLU A 84 -17.882 -6.363 -13.406 1.00 71.12 O ATOM 1195 OE2 GLU A 84 -20.034 -6.098 -13.064 1.00 72.31 O ATOM 0 H GLU A 84 -15.913 -5.193 -10.259 1.00 14.34 H new ATOM 0 HA GLU A 84 -18.242 -5.493 -8.577 1.00 61.21 H new ATOM 0 HB2 GLU A 84 -17.130 -7.084 -10.908 1.00 0.43 H new ATOM 0 HB3 GLU A 84 -18.696 -7.345 -10.166 1.00 0.43 H new ATOM 0 HG2 GLU A 84 -19.470 -5.124 -10.828 1.00 25.44 H new ATOM 0 HG3 GLU A 84 -17.863 -4.654 -11.345 1.00 25.44 H new ATOM 1202 N GLU A 85 -15.582 -7.407 -8.191 1.00 14.32 N ATOM 1203 CA GLU A 85 -14.907 -8.395 -7.378 1.00 32.13 C ATOM 1204 C GLU A 85 -14.617 -7.735 -6.032 1.00 44.22 C ATOM 1205 O GLU A 85 -13.616 -7.037 -5.869 1.00 63.33 O ATOM 1206 CB GLU A 85 -13.612 -8.873 -8.057 1.00 21.14 C ATOM 1207 CG GLU A 85 -13.867 -9.866 -9.197 1.00 52.44 C ATOM 1208 CD GLU A 85 -14.573 -11.140 -8.723 1.00 13.25 C ATOM 1209 OE1 GLU A 85 -14.257 -11.673 -7.635 1.00 45.43 O ATOM 1210 OE2 GLU A 85 -15.465 -11.653 -9.442 1.00 73.33 O ATOM 0 H GLU A 85 -14.952 -6.928 -8.834 1.00 14.32 H new ATOM 0 HA GLU A 85 -15.529 -9.280 -7.244 1.00 32.13 H new ATOM 0 HB2 GLU A 85 -13.073 -8.010 -8.448 1.00 21.14 H new ATOM 0 HB3 GLU A 85 -12.968 -9.341 -7.312 1.00 21.14 H new ATOM 0 HG2 GLU A 85 -14.472 -9.384 -9.965 1.00 52.44 H new ATOM 0 HG3 GLU A 85 -12.917 -10.133 -9.661 1.00 52.44 H new ATOM 1217 N GLY A 86 -15.488 -7.961 -5.051 1.00 15.42 N ATOM 1218 CA GLY A 86 -15.350 -7.418 -3.713 1.00 2.12 C ATOM 1219 C GLY A 86 -16.687 -6.972 -3.155 1.00 24.13 C ATOM 1220 O GLY A 86 -16.913 -5.773 -2.984 1.00 34.14 O ATOM 0 H GLY A 86 -16.321 -8.537 -5.171 1.00 15.42 H new ATOM 0 HA2 GLY A 86 -14.913 -8.171 -3.057 1.00 2.12 H new ATOM 0 HA3 GLY A 86 -14.662 -6.573 -3.731 1.00 2.12 H new ATOM 1224 N GLY A 87 -17.554 -7.936 -2.839 1.00 74.22 N ATOM 1225 CA GLY A 87 -18.865 -7.662 -2.271 1.00 32.42 C ATOM 1226 C GLY A 87 -18.706 -6.928 -0.938 1.00 75.00 C ATOM 1227 O GLY A 87 -17.655 -7.002 -0.293 1.00 22.31 O ATOM 0 H GLY A 87 -17.361 -8.929 -2.972 1.00 74.22 H new ATOM 0 HA2 GLY A 87 -19.452 -7.058 -2.962 1.00 32.42 H new ATOM 0 HA3 GLY A 87 -19.409 -8.594 -2.121 1.00 32.42 H new ATOM 1231 N GLY A 88 -19.760 -6.260 -0.486 1.00 40.40 N ATOM 1232 CA GLY A 88 -19.757 -5.495 0.753 1.00 61.42 C ATOM 1233 C GLY A 88 -19.645 -4.009 0.444 1.00 75.04 C ATOM 1234 O GLY A 88 -19.614 -3.619 -0.724 1.00 64.25 O ATOM 0 H GLY A 88 -20.653 -6.235 -0.977 1.00 40.40 H new ATOM 0 HA2 GLY A 88 -20.671 -5.691 1.314 1.00 61.42 H new ATOM 0 HA3 GLY A 88 -18.924 -5.808 1.382 1.00 61.42 H new ATOM 1238 N SER A 89 -19.670 -3.151 1.463 1.00 14.03 N ATOM 1239 CA SER A 89 -19.567 -1.718 1.217 1.00 44.41 C ATOM 1240 C SER A 89 -18.094 -1.348 1.053 1.00 13.10 C ATOM 1241 O SER A 89 -17.229 -1.854 1.779 1.00 14.12 O ATOM 1242 CB SER A 89 -20.213 -0.946 2.368 1.00 61.32 C ATOM 1243 OG SER A 89 -21.616 -1.143 2.367 1.00 45.24 O ATOM 0 H SER A 89 -19.759 -3.417 2.444 1.00 14.03 H new ATOM 0 HA SER A 89 -20.097 -1.453 0.302 1.00 44.41 H new ATOM 0 HB2 SER A 89 -19.793 -1.277 3.318 1.00 61.32 H new ATOM 0 HB3 SER A 89 -19.988 0.116 2.274 1.00 61.32 H new ATOM 0 HG SER A 89 -22.017 -0.645 3.110 1.00 45.24 H new ATOM 1249 N LEU A 90 -17.819 -0.400 0.158 1.00 12.25 N ATOM 1250 CA LEU A 90 -16.478 0.093 -0.135 1.00 34.43 C ATOM 1251 C LEU A 90 -15.904 0.727 1.133 1.00 74.14 C ATOM 1252 O LEU A 90 -14.752 0.475 1.475 1.00 11.54 O ATOM 1253 CB LEU A 90 -16.539 1.083 -1.313 1.00 22.51 C ATOM 1254 CG LEU A 90 -15.362 0.955 -2.299 1.00 73.14 C ATOM 1255 CD1 LEU A 90 -15.660 1.841 -3.512 1.00 20.42 C ATOM 1256 CD2 LEU A 90 -14.012 1.337 -1.689 1.00 63.43 C ATOM 0 H LEU A 90 -18.543 0.057 -0.397 1.00 12.25 H new ATOM 0 HA LEU A 90 -15.818 -0.721 -0.435 1.00 34.43 H new ATOM 0 HB2 LEU A 90 -17.472 0.930 -1.855 1.00 22.51 H new ATOM 0 HB3 LEU A 90 -16.562 2.099 -0.920 1.00 22.51 H new ATOM 0 HG LEU A 90 -15.274 -0.094 -2.583 1.00 73.14 H new ATOM 0 HD11 LEU A 90 -14.840 1.768 -4.226 1.00 20.42 H new ATOM 0 HD12 LEU A 90 -16.584 1.510 -3.986 1.00 20.42 H new ATOM 0 HD13 LEU A 90 -15.768 2.876 -3.189 1.00 20.42 H new ATOM 0 HD21 LEU A 90 -13.229 1.223 -2.439 1.00 63.43 H new ATOM 0 HD22 LEU A 90 -14.045 2.373 -1.353 1.00 63.43 H new ATOM 0 HD23 LEU A 90 -13.799 0.687 -0.840 1.00 63.43 H new ATOM 1268 N SER A 91 -16.733 1.459 1.891 1.00 74.13 N ATOM 1269 CA SER A 91 -16.321 2.102 3.139 1.00 54.41 C ATOM 1270 C SER A 91 -15.810 1.043 4.131 1.00 21.40 C ATOM 1271 O SER A 91 -14.848 1.265 4.860 1.00 5.31 O ATOM 1272 CB SER A 91 -17.495 2.909 3.713 1.00 31.43 C ATOM 1273 OG SER A 91 -17.044 3.929 4.580 1.00 2.02 O ATOM 0 H SER A 91 -17.711 1.620 1.651 1.00 74.13 H new ATOM 0 HA SER A 91 -15.501 2.794 2.949 1.00 54.41 H new ATOM 0 HB2 SER A 91 -18.069 3.350 2.898 1.00 31.43 H new ATOM 0 HB3 SER A 91 -18.168 2.242 4.252 1.00 31.43 H new ATOM 0 HG SER A 91 -17.813 4.426 4.928 1.00 2.02 H new ATOM 1279 N THR A 92 -16.441 -0.133 4.186 1.00 14.31 N ATOM 1280 CA THR A 92 -15.980 -1.187 5.078 1.00 60.10 C ATOM 1281 C THR A 92 -14.661 -1.739 4.527 1.00 42.33 C ATOM 1282 O THR A 92 -13.733 -2.028 5.282 1.00 12.21 O ATOM 1283 CB THR A 92 -17.053 -2.274 5.182 1.00 33.33 C ATOM 1284 OG1 THR A 92 -18.183 -1.744 5.840 1.00 5.24 O ATOM 1285 CG2 THR A 92 -16.572 -3.475 5.998 1.00 34.41 C ATOM 0 H THR A 92 -17.261 -0.373 3.629 1.00 14.31 H new ATOM 0 HA THR A 92 -15.806 -0.802 6.083 1.00 60.10 H new ATOM 0 HB THR A 92 -17.286 -2.601 4.169 1.00 33.33 H new ATOM 0 HG1 THR A 92 -18.875 -2.434 5.909 1.00 5.24 H new ATOM 0 HG21 THR A 92 -17.364 -4.222 6.047 1.00 34.41 H new ATOM 0 HG22 THR A 92 -15.692 -3.909 5.523 1.00 34.41 H new ATOM 0 HG23 THR A 92 -16.317 -3.151 7.007 1.00 34.41 H new ATOM 1293 N LYS A 93 -14.561 -1.888 3.204 1.00 32.43 N ATOM 1294 CA LYS A 93 -13.377 -2.404 2.540 1.00 5.33 C ATOM 1295 C LYS A 93 -12.151 -1.551 2.863 1.00 21.24 C ATOM 1296 O LYS A 93 -11.108 -2.111 3.214 1.00 41.35 O ATOM 1297 CB LYS A 93 -13.669 -2.532 1.037 1.00 55.45 C ATOM 1298 CG LYS A 93 -12.882 -3.704 0.445 1.00 12.41 C ATOM 1299 CD LYS A 93 -13.463 -4.233 -0.876 1.00 54.14 C ATOM 1300 CE LYS A 93 -14.919 -4.706 -0.874 1.00 71.20 C ATOM 1301 NZ LYS A 93 -15.155 -5.881 -0.012 1.00 32.42 N ATOM 0 H LYS A 93 -15.315 -1.648 2.561 1.00 32.43 H new ATOM 0 HA LYS A 93 -13.134 -3.399 2.911 1.00 5.33 H new ATOM 0 HB2 LYS A 93 -14.737 -2.684 0.878 1.00 55.45 H new ATOM 0 HB3 LYS A 93 -13.399 -1.608 0.526 1.00 55.45 H new ATOM 0 HG2 LYS A 93 -11.851 -3.391 0.279 1.00 12.41 H new ATOM 0 HG3 LYS A 93 -12.856 -4.516 1.171 1.00 12.41 H new ATOM 0 HD2 LYS A 93 -13.367 -3.446 -1.624 1.00 54.14 H new ATOM 0 HD3 LYS A 93 -12.841 -5.064 -1.207 1.00 54.14 H new ATOM 0 HE2 LYS A 93 -15.558 -3.888 -0.542 1.00 71.20 H new ATOM 0 HE3 LYS A 93 -15.215 -4.948 -1.895 1.00 71.20 H new ATOM 0 HZ1 LYS A 93 -16.053 -6.332 -0.278 1.00 32.42 H new ATOM 0 HZ2 LYS A 93 -14.377 -6.561 -0.131 1.00 32.42 H new ATOM 0 HZ3 LYS A 93 -15.201 -5.579 0.982 1.00 32.42 H new ATOM 1315 N THR A 94 -12.264 -0.222 2.822 1.00 41.33 N ATOM 1316 CA THR A 94 -11.149 0.666 3.137 1.00 31.55 C ATOM 1317 C THR A 94 -10.709 0.432 4.597 1.00 71.41 C ATOM 1318 O THR A 94 -9.510 0.429 4.897 1.00 53.44 O ATOM 1319 CB THR A 94 -11.529 2.131 2.843 1.00 61.15 C ATOM 1320 OG1 THR A 94 -12.710 2.473 3.518 1.00 12.13 O ATOM 1321 CG2 THR A 94 -11.755 2.371 1.348 1.00 22.44 C ATOM 0 H THR A 94 -13.125 0.264 2.571 1.00 41.33 H new ATOM 0 HA THR A 94 -10.293 0.442 2.500 1.00 31.55 H new ATOM 0 HB THR A 94 -10.697 2.747 3.184 1.00 61.15 H new ATOM 0 HG1 THR A 94 -13.071 1.681 3.968 1.00 12.13 H new ATOM 0 HG21 THR A 94 -12.021 3.415 1.183 1.00 22.44 H new ATOM 0 HG22 THR A 94 -10.842 2.138 0.800 1.00 22.44 H new ATOM 0 HG23 THR A 94 -12.563 1.731 0.995 1.00 22.44 H new ATOM 1329 N SER A 95 -11.653 0.166 5.506 1.00 20.23 N ATOM 1330 CA SER A 95 -11.360 -0.095 6.910 1.00 31.33 C ATOM 1331 C SER A 95 -10.705 -1.482 7.085 1.00 61.51 C ATOM 1332 O SER A 95 -9.911 -1.676 8.010 1.00 33.33 O ATOM 1333 CB SER A 95 -12.654 0.071 7.720 1.00 43.00 C ATOM 1334 OG SER A 95 -12.376 0.015 9.103 1.00 23.43 O ATOM 0 H SER A 95 -12.647 0.127 5.282 1.00 20.23 H new ATOM 0 HA SER A 95 -10.632 0.623 7.289 1.00 31.33 H new ATOM 0 HB2 SER A 95 -13.125 1.023 7.475 1.00 43.00 H new ATOM 0 HB3 SER A 95 -13.362 -0.713 7.452 1.00 43.00 H new ATOM 0 HG SER A 95 -13.208 0.124 9.609 1.00 23.43 H new ATOM 1340 N SER A 96 -10.993 -2.455 6.210 1.00 12.31 N ATOM 1341 CA SER A 96 -10.413 -3.796 6.267 1.00 61.12 C ATOM 1342 C SER A 96 -8.909 -3.680 5.984 1.00 64.51 C ATOM 1343 O SER A 96 -8.094 -4.276 6.690 1.00 50.22 O ATOM 1344 CB SER A 96 -11.141 -4.717 5.271 1.00 4.32 C ATOM 1345 OG SER A 96 -10.738 -6.068 5.393 1.00 14.02 O ATOM 0 H SER A 96 -11.644 -2.328 5.435 1.00 12.31 H new ATOM 0 HA SER A 96 -10.538 -4.243 7.253 1.00 61.12 H new ATOM 0 HB2 SER A 96 -12.216 -4.645 5.433 1.00 4.32 H new ATOM 0 HB3 SER A 96 -10.948 -4.373 4.255 1.00 4.32 H new ATOM 0 HG SER A 96 -10.815 -6.512 4.523 1.00 14.02 H new ATOM 1351 N ILE A 97 -8.531 -2.885 4.976 1.00 12.33 N ATOM 1352 CA ILE A 97 -7.143 -2.644 4.580 1.00 73.10 C ATOM 1353 C ILE A 97 -6.378 -2.089 5.776 1.00 63.52 C ATOM 1354 O ILE A 97 -5.314 -2.606 6.108 1.00 60.10 O ATOM 1355 CB ILE A 97 -7.125 -1.658 3.393 1.00 72.13 C ATOM 1356 CG1 ILE A 97 -7.566 -2.421 2.131 1.00 2.31 C ATOM 1357 CG2 ILE A 97 -5.779 -0.954 3.149 1.00 22.42 C ATOM 1358 CD1 ILE A 97 -8.262 -1.522 1.103 1.00 40.31 C ATOM 0 H ILE A 97 -9.203 -2.379 4.399 1.00 12.33 H new ATOM 0 HA ILE A 97 -6.663 -3.570 4.264 1.00 73.10 H new ATOM 0 HB ILE A 97 -7.813 -0.850 3.643 1.00 72.13 H new ATOM 0 HG12 ILE A 97 -6.694 -2.884 1.670 1.00 2.31 H new ATOM 0 HG13 ILE A 97 -8.241 -3.227 2.417 1.00 2.31 H new ATOM 0 HG21 ILE A 97 -5.869 -0.283 2.295 1.00 22.42 H new ATOM 0 HG22 ILE A 97 -5.503 -0.380 4.034 1.00 22.42 H new ATOM 0 HG23 ILE A 97 -5.010 -1.699 2.945 1.00 22.42 H new ATOM 0 HD11 ILE A 97 -8.550 -2.116 0.236 1.00 40.31 H new ATOM 0 HD12 ILE A 97 -9.152 -1.079 1.550 1.00 40.31 H new ATOM 0 HD13 ILE A 97 -7.580 -0.731 0.791 1.00 40.31 H new ATOM 1370 N ALA A 98 -6.930 -1.070 6.445 1.00 64.24 N ATOM 1371 CA ALA A 98 -6.299 -0.443 7.597 1.00 24.31 C ATOM 1372 C ALA A 98 -5.927 -1.468 8.671 1.00 51.03 C ATOM 1373 O ALA A 98 -4.866 -1.386 9.293 1.00 23.33 O ATOM 1374 CB ALA A 98 -7.233 0.613 8.172 1.00 13.11 C ATOM 0 H ALA A 98 -7.830 -0.660 6.196 1.00 64.24 H new ATOM 0 HA ALA A 98 -5.373 0.026 7.265 1.00 24.31 H new ATOM 0 HB1 ALA A 98 -6.762 1.084 9.035 1.00 13.11 H new ATOM 0 HB2 ALA A 98 -7.439 1.368 7.414 1.00 13.11 H new ATOM 0 HB3 ALA A 98 -8.167 0.144 8.480 1.00 13.11 H new ATOM 1380 N SER A 99 -6.816 -2.435 8.881 1.00 40.14 N ATOM 1381 CA SER A 99 -6.644 -3.502 9.842 1.00 71.42 C ATOM 1382 C SER A 99 -5.522 -4.432 9.364 1.00 63.15 C ATOM 1383 O SER A 99 -4.641 -4.757 10.155 1.00 64.34 O ATOM 1384 CB SER A 99 -7.991 -4.217 9.962 1.00 43.01 C ATOM 1385 OG SER A 99 -8.192 -4.918 11.176 1.00 14.22 O ATOM 0 H SER A 99 -7.697 -2.493 8.370 1.00 40.14 H new ATOM 0 HA SER A 99 -6.351 -3.134 10.825 1.00 71.42 H new ATOM 0 HB2 SER A 99 -8.787 -3.481 9.849 1.00 43.01 H new ATOM 0 HB3 SER A 99 -8.087 -4.920 9.134 1.00 43.01 H new ATOM 0 HG SER A 99 -9.076 -5.341 11.167 1.00 14.22 H new ATOM 1391 N ALA A 100 -5.525 -4.850 8.088 1.00 41.23 N ATOM 1392 CA ALA A 100 -4.492 -5.741 7.563 1.00 63.25 C ATOM 1393 C ALA A 100 -3.099 -5.088 7.601 1.00 22.13 C ATOM 1394 O ALA A 100 -2.107 -5.776 7.840 1.00 20.34 O ATOM 1395 CB ALA A 100 -4.880 -6.188 6.148 1.00 31.24 C ATOM 0 H ALA A 100 -6.234 -4.582 7.405 1.00 41.23 H new ATOM 0 HA ALA A 100 -4.427 -6.622 8.202 1.00 63.25 H new ATOM 0 HB1 ALA A 100 -4.112 -6.853 5.753 1.00 31.24 H new ATOM 0 HB2 ALA A 100 -5.834 -6.715 6.182 1.00 31.24 H new ATOM 0 HB3 ALA A 100 -4.971 -5.314 5.502 1.00 31.24 H new ATOM 1401 N LEU A 101 -3.008 -3.767 7.395 1.00 4.34 N ATOM 1402 CA LEU A 101 -1.739 -3.028 7.423 1.00 71.30 C ATOM 1403 C LEU A 101 -1.101 -3.131 8.806 1.00 73.30 C ATOM 1404 O LEU A 101 0.118 -3.242 8.912 1.00 21.23 O ATOM 1405 CB LEU A 101 -1.956 -1.545 7.067 1.00 61.55 C ATOM 1406 CG LEU A 101 -2.282 -1.330 5.581 1.00 12.03 C ATOM 1407 CD1 LEU A 101 -2.890 0.050 5.327 1.00 53.21 C ATOM 1408 CD2 LEU A 101 -1.058 -1.454 4.691 1.00 1.33 C ATOM 0 H LEU A 101 -3.818 -3.178 7.203 1.00 4.34 H new ATOM 0 HA LEU A 101 -1.075 -3.472 6.681 1.00 71.30 H new ATOM 0 HB2 LEU A 101 -2.769 -1.146 7.674 1.00 61.55 H new ATOM 0 HB3 LEU A 101 -1.060 -0.980 7.323 1.00 61.55 H new ATOM 0 HG LEU A 101 -2.997 -2.114 5.333 1.00 12.03 H new ATOM 0 HD11 LEU A 101 -3.106 0.162 4.265 1.00 53.21 H new ATOM 0 HD12 LEU A 101 -3.813 0.152 5.898 1.00 53.21 H new ATOM 0 HD13 LEU A 101 -2.185 0.821 5.637 1.00 53.21 H new ATOM 0 HD21 LEU A 101 -1.346 -1.293 3.652 1.00 1.33 H new ATOM 0 HD22 LEU A 101 -0.319 -0.708 4.983 1.00 1.33 H new ATOM 0 HD23 LEU A 101 -0.629 -2.450 4.799 1.00 1.33 H new ATOM 1420 N SER A 102 -1.935 -3.106 9.848 1.00 24.15 N ATOM 1421 CA SER A 102 -1.532 -3.203 11.243 1.00 23.32 C ATOM 1422 C SER A 102 -0.689 -4.470 11.459 1.00 4.13 C ATOM 1423 O SER A 102 0.342 -4.421 12.133 1.00 34.35 O ATOM 1424 CB SER A 102 -2.809 -3.208 12.097 1.00 43.21 C ATOM 1425 OG SER A 102 -2.666 -2.545 13.333 1.00 23.24 O ATOM 0 H SER A 102 -2.944 -3.014 9.734 1.00 24.15 H new ATOM 0 HA SER A 102 -0.910 -2.357 11.534 1.00 23.32 H new ATOM 0 HB2 SER A 102 -3.615 -2.737 11.533 1.00 43.21 H new ATOM 0 HB3 SER A 102 -3.109 -4.240 12.281 1.00 43.21 H new ATOM 0 HG SER A 102 -3.513 -2.583 13.825 1.00 23.24 H new ATOM 1431 N ASN A 103 -1.129 -5.613 10.916 1.00 64.00 N ATOM 1432 CA ASN A 103 -0.401 -6.874 11.043 1.00 44.20 C ATOM 1433 C ASN A 103 0.863 -6.828 10.184 1.00 73.53 C ATOM 1434 O ASN A 103 1.967 -6.990 10.699 1.00 63.30 O ATOM 1435 CB ASN A 103 -1.288 -8.074 10.657 1.00 22.23 C ATOM 1436 CG ASN A 103 -0.704 -9.420 11.105 1.00 14.22 C ATOM 1437 OD1 ASN A 103 0.262 -9.507 11.861 1.00 31.34 O ATOM 1438 ND2 ASN A 103 -1.331 -10.519 10.725 1.00 54.31 N ATOM 0 H ASN A 103 -1.994 -5.686 10.381 1.00 64.00 H new ATOM 0 HA ASN A 103 -0.115 -7.007 12.086 1.00 44.20 H new ATOM 0 HB2 ASN A 103 -2.275 -7.947 11.101 1.00 22.23 H new ATOM 0 HB3 ASN A 103 -1.424 -8.085 9.576 1.00 22.23 H new ATOM 0 HD21 ASN A 103 -1.013 -11.429 11.058 1.00 54.31 H new ATOM 0 HD22 ASN A 103 -2.133 -10.458 10.098 1.00 54.31 H new ATOM 1445 N ALA A 104 0.716 -6.464 8.902 1.00 13.31 N ATOM 1446 CA ALA A 104 1.809 -6.408 7.934 1.00 0.41 C ATOM 1447 C ALA A 104 3.022 -5.601 8.408 1.00 10.35 C ATOM 1448 O ALA A 104 4.160 -6.004 8.152 1.00 42.51 O ATOM 1449 CB ALA A 104 1.282 -5.863 6.600 1.00 55.42 C ATOM 0 H ALA A 104 -0.185 -6.196 8.506 1.00 13.31 H new ATOM 0 HA ALA A 104 2.172 -7.428 7.810 1.00 0.41 H new ATOM 0 HB1 ALA A 104 2.097 -5.821 5.877 1.00 55.42 H new ATOM 0 HB2 ALA A 104 0.497 -6.519 6.224 1.00 55.42 H new ATOM 0 HB3 ALA A 104 0.878 -4.862 6.750 1.00 55.42 H new ATOM 1455 N PHE A 105 2.809 -4.473 9.097 1.00 35.12 N ATOM 1456 CA PHE A 105 3.915 -3.658 9.584 1.00 32.24 C ATOM 1457 C PHE A 105 4.626 -4.321 10.768 1.00 60.52 C ATOM 1458 O PHE A 105 5.862 -4.312 10.852 1.00 23.11 O ATOM 1459 CB PHE A 105 3.439 -2.245 9.933 1.00 43.13 C ATOM 1460 CG PHE A 105 4.304 -1.213 9.244 1.00 63.41 C ATOM 1461 CD1 PHE A 105 5.584 -0.913 9.748 1.00 53.42 C ATOM 1462 CD2 PHE A 105 3.859 -0.594 8.063 1.00 24.10 C ATOM 1463 CE1 PHE A 105 6.382 0.061 9.131 1.00 52.22 C ATOM 1464 CE2 PHE A 105 4.676 0.351 7.421 1.00 21.52 C ATOM 1465 CZ PHE A 105 5.928 0.688 7.963 1.00 54.55 C ATOM 0 H PHE A 105 1.884 -4.110 9.326 1.00 35.12 H new ATOM 0 HA PHE A 105 4.646 -3.575 8.780 1.00 32.24 H new ATOM 0 HB2 PHE A 105 2.400 -2.119 9.630 1.00 43.13 H new ATOM 0 HB3 PHE A 105 3.476 -2.098 11.012 1.00 43.13 H new ATOM 0 HD1 PHE A 105 5.954 -1.437 10.617 1.00 53.42 H new ATOM 0 HD2 PHE A 105 2.893 -0.844 7.651 1.00 24.10 H new ATOM 0 HE1 PHE A 105 7.340 0.326 9.553 1.00 52.22 H new ATOM 0 HE2 PHE A 105 4.341 0.820 6.508 1.00 21.52 H new ATOM 0 HZ PHE A 105 6.542 1.432 7.478 1.00 54.55 H new ATOM 1475 N LEU A 106 3.859 -4.909 11.693 1.00 64.15 N ATOM 1476 CA LEU A 106 4.447 -5.581 12.844 1.00 51.14 C ATOM 1477 C LEU A 106 5.200 -6.822 12.378 1.00 12.30 C ATOM 1478 O LEU A 106 6.215 -7.174 12.977 1.00 62.23 O ATOM 1479 CB LEU A 106 3.398 -5.950 13.901 1.00 51.21 C ATOM 1480 CG LEU A 106 2.789 -4.740 14.634 1.00 73.23 C ATOM 1481 CD1 LEU A 106 1.886 -5.243 15.750 1.00 72.24 C ATOM 1482 CD2 LEU A 106 3.830 -3.820 15.270 1.00 2.40 C ATOM 0 H LEU A 106 2.840 -4.930 11.663 1.00 64.15 H new ATOM 0 HA LEU A 106 5.141 -4.888 13.320 1.00 51.14 H new ATOM 0 HB2 LEU A 106 2.596 -6.511 13.421 1.00 51.21 H new ATOM 0 HB3 LEU A 106 3.856 -6.613 14.635 1.00 51.21 H new ATOM 0 HG LEU A 106 2.249 -4.166 13.881 1.00 73.23 H new ATOM 0 HD11 LEU A 106 1.450 -4.394 16.276 1.00 72.24 H new ATOM 0 HD12 LEU A 106 1.090 -5.855 15.326 1.00 72.24 H new ATOM 0 HD13 LEU A 106 2.470 -5.841 16.449 1.00 72.24 H new ATOM 0 HD21 LEU A 106 3.327 -2.991 15.768 1.00 2.40 H new ATOM 0 HD22 LEU A 106 4.414 -4.381 16.000 1.00 2.40 H new ATOM 0 HD23 LEU A 106 4.493 -3.431 14.497 1.00 2.40 H new ATOM 1494 N GLN A 107 4.738 -7.489 11.323 1.00 13.22 N ATOM 1495 CA GLN A 107 5.395 -8.667 10.783 1.00 2.23 C ATOM 1496 C GLN A 107 6.771 -8.284 10.230 1.00 54.33 C ATOM 1497 O GLN A 107 7.762 -8.944 10.539 1.00 64.35 O ATOM 1498 CB GLN A 107 4.542 -9.269 9.657 1.00 1.42 C ATOM 1499 CG GLN A 107 3.267 -9.946 10.149 1.00 22.41 C ATOM 1500 CD GLN A 107 2.345 -10.307 8.988 1.00 61.32 C ATOM 1501 OE1 GLN A 107 1.325 -9.668 8.760 1.00 44.14 O ATOM 1502 NE2 GLN A 107 2.699 -11.323 8.219 1.00 15.13 N ATOM 0 H GLN A 107 3.892 -7.222 10.819 1.00 13.22 H new ATOM 0 HA GLN A 107 5.515 -9.403 11.578 1.00 2.23 H new ATOM 0 HB2 GLN A 107 4.276 -8.480 8.953 1.00 1.42 H new ATOM 0 HB3 GLN A 107 5.141 -9.996 9.109 1.00 1.42 H new ATOM 0 HG2 GLN A 107 3.523 -10.847 10.706 1.00 22.41 H new ATOM 0 HG3 GLN A 107 2.744 -9.283 10.838 1.00 22.41 H new ATOM 0 HE21 GLN A 107 3.552 -11.844 8.423 1.00 15.13 H new ATOM 0 HE22 GLN A 107 2.119 -11.585 7.422 1.00 15.13 H new ATOM 1511 N THR A 108 6.849 -7.181 9.480 1.00 34.41 N ATOM 1512 CA THR A 108 8.095 -6.756 8.867 1.00 70.53 C ATOM 1513 C THR A 108 9.156 -6.262 9.845 1.00 14.51 C ATOM 1514 O THR A 108 10.268 -6.790 9.828 1.00 31.04 O ATOM 1515 CB THR A 108 7.839 -5.742 7.739 1.00 23.11 C ATOM 1516 OG1 THR A 108 6.663 -4.964 7.910 1.00 60.22 O ATOM 1517 CG2 THR A 108 7.782 -6.436 6.383 1.00 23.35 C ATOM 0 H THR A 108 6.056 -6.569 9.287 1.00 34.41 H new ATOM 0 HA THR A 108 8.525 -7.660 8.435 1.00 70.53 H new ATOM 0 HB THR A 108 8.685 -5.056 7.782 1.00 23.11 H new ATOM 0 HG1 THR A 108 5.875 -5.540 7.828 1.00 60.22 H new ATOM 0 HG21 THR A 108 7.600 -5.697 5.603 1.00 23.35 H new ATOM 0 HG22 THR A 108 8.730 -6.939 6.192 1.00 23.35 H new ATOM 0 HG23 THR A 108 6.975 -7.169 6.383 1.00 23.35 H new ATOM 1525 N THR A 109 8.863 -5.241 10.656 1.00 55.44 N ATOM 1526 CA THR A 109 9.847 -4.705 11.600 1.00 55.31 C ATOM 1527 C THR A 109 9.352 -4.663 13.055 1.00 43.32 C ATOM 1528 O THR A 109 10.167 -4.504 13.964 1.00 11.14 O ATOM 1529 CB THR A 109 10.391 -3.380 11.023 1.00 34.41 C ATOM 1530 OG1 THR A 109 11.646 -3.025 11.558 1.00 21.13 O ATOM 1531 CG2 THR A 109 9.438 -2.225 11.187 1.00 75.43 C ATOM 0 H THR A 109 7.958 -4.772 10.678 1.00 55.44 H new ATOM 0 HA THR A 109 10.691 -5.389 11.694 1.00 55.31 H new ATOM 0 HB THR A 109 10.508 -3.578 9.958 1.00 34.41 H new ATOM 0 HG1 THR A 109 11.945 -2.181 11.159 1.00 21.13 H new ATOM 0 HG21 THR A 109 9.881 -1.325 10.761 1.00 75.43 H new ATOM 0 HG22 THR A 109 8.503 -2.448 10.672 1.00 75.43 H new ATOM 0 HG23 THR A 109 9.239 -2.065 12.247 1.00 75.43 H new ATOM 1539 N GLY A 110 8.050 -4.836 13.320 1.00 63.24 N ATOM 1540 CA GLY A 110 7.548 -4.810 14.692 1.00 53.04 C ATOM 1541 C GLY A 110 7.181 -3.411 15.180 1.00 25.35 C ATOM 1542 O GLY A 110 7.245 -3.162 16.380 1.00 45.02 O ATOM 0 H GLY A 110 7.336 -4.993 12.609 1.00 63.24 H new ATOM 0 HA2 GLY A 110 6.670 -5.452 14.761 1.00 53.04 H new ATOM 0 HA3 GLY A 110 8.304 -5.231 15.355 1.00 53.04 H new ATOM 1546 N VAL A 111 6.843 -2.476 14.291 1.00 73.52 N ATOM 1547 CA VAL A 111 6.444 -1.111 14.637 1.00 45.15 C ATOM 1548 C VAL A 111 5.167 -0.817 13.855 1.00 41.42 C ATOM 1549 O VAL A 111 5.019 -1.337 12.752 1.00 11.24 O ATOM 1550 CB VAL A 111 7.595 -0.132 14.319 1.00 52.32 C ATOM 1551 CG1 VAL A 111 7.812 0.098 12.810 1.00 70.13 C ATOM 1552 CG2 VAL A 111 7.388 1.216 15.021 1.00 54.13 C ATOM 0 H VAL A 111 6.839 -2.651 13.286 1.00 73.52 H new ATOM 0 HA VAL A 111 6.242 -0.993 15.702 1.00 45.15 H new ATOM 0 HB VAL A 111 8.495 -0.612 14.703 1.00 52.32 H new ATOM 0 HG11 VAL A 111 8.636 0.796 12.663 1.00 70.13 H new ATOM 0 HG12 VAL A 111 8.050 -0.850 12.328 1.00 70.13 H new ATOM 0 HG13 VAL A 111 6.904 0.511 12.371 1.00 70.13 H new ATOM 0 HG21 VAL A 111 8.215 1.884 14.778 1.00 54.13 H new ATOM 0 HG22 VAL A 111 6.451 1.661 14.685 1.00 54.13 H new ATOM 0 HG23 VAL A 111 7.351 1.063 16.100 1.00 54.13 H new ATOM 1562 N VAL A 112 4.201 -0.111 14.437 1.00 33.14 N ATOM 1563 CA VAL A 112 2.963 0.241 13.752 1.00 10.13 C ATOM 1564 C VAL A 112 2.771 1.753 13.880 1.00 51.32 C ATOM 1565 O VAL A 112 2.533 2.258 14.981 1.00 20.03 O ATOM 1566 CB VAL A 112 1.806 -0.674 14.203 1.00 33.12 C ATOM 1567 CG1 VAL A 112 1.490 -0.626 15.700 1.00 24.23 C ATOM 1568 CG2 VAL A 112 0.533 -0.402 13.398 1.00 70.33 C ATOM 0 H VAL A 112 4.255 0.232 15.396 1.00 33.14 H new ATOM 0 HA VAL A 112 2.997 0.046 12.680 1.00 10.13 H new ATOM 0 HB VAL A 112 2.168 -1.682 14.002 1.00 33.12 H new ATOM 0 HG11 VAL A 112 0.663 -1.302 15.919 1.00 24.23 H new ATOM 0 HG12 VAL A 112 2.369 -0.932 16.267 1.00 24.23 H new ATOM 0 HG13 VAL A 112 1.212 0.390 15.981 1.00 24.23 H new ATOM 0 HG21 VAL A 112 -0.263 -1.063 13.741 1.00 70.33 H new ATOM 0 HG22 VAL A 112 0.228 0.635 13.538 1.00 70.33 H new ATOM 0 HG23 VAL A 112 0.725 -0.584 12.341 1.00 70.33 H new ATOM 1578 N ASN A 113 2.919 2.495 12.782 1.00 71.00 N ATOM 1579 CA ASN A 113 2.753 3.940 12.781 1.00 71.53 C ATOM 1580 C ASN A 113 1.323 4.246 12.364 1.00 73.41 C ATOM 1581 O ASN A 113 0.989 4.245 11.180 1.00 21.42 O ATOM 1582 CB ASN A 113 3.745 4.656 11.855 1.00 32.24 C ATOM 1583 CG ASN A 113 5.138 4.803 12.446 1.00 43.24 C ATOM 1584 OD1 ASN A 113 5.730 3.864 12.976 1.00 50.23 O ATOM 1585 ND2 ASN A 113 5.713 5.988 12.375 1.00 30.24 N ATOM 0 H ASN A 113 3.158 2.106 11.870 1.00 71.00 H new ATOM 0 HA ASN A 113 2.959 4.313 13.785 1.00 71.53 H new ATOM 0 HB2 ASN A 113 3.815 4.105 10.917 1.00 32.24 H new ATOM 0 HB3 ASN A 113 3.355 5.646 11.616 1.00 32.24 H new ATOM 0 HD21 ASN A 113 6.648 6.125 12.759 1.00 30.24 H new ATOM 0 HD22 ASN A 113 5.223 6.767 11.936 1.00 30.24 H new ATOM 1592 N GLN A 114 0.471 4.527 13.340 1.00 22.31 N ATOM 1593 CA GLN A 114 -0.932 4.870 13.160 1.00 42.52 C ATOM 1594 C GLN A 114 -1.136 5.925 12.052 1.00 34.13 C ATOM 1595 O GLN A 114 -1.915 5.663 11.137 1.00 13.43 O ATOM 1596 CB GLN A 114 -1.453 5.341 14.525 1.00 23.23 C ATOM 1597 CG GLN A 114 -2.763 6.142 14.514 1.00 24.12 C ATOM 1598 CD GLN A 114 -2.985 6.798 15.874 1.00 2.12 C ATOM 1599 OE1 GLN A 114 -2.894 6.150 16.921 1.00 5.35 O ATOM 1600 NE2 GLN A 114 -3.247 8.092 15.896 1.00 13.41 N ATOM 0 H GLN A 114 0.751 4.522 14.321 1.00 22.31 H new ATOM 0 HA GLN A 114 -1.498 4.002 12.821 1.00 42.52 H new ATOM 0 HB2 GLN A 114 -1.593 4.465 15.159 1.00 23.23 H new ATOM 0 HB3 GLN A 114 -0.682 5.953 14.993 1.00 23.23 H new ATOM 0 HG2 GLN A 114 -2.727 6.904 13.735 1.00 24.12 H new ATOM 0 HG3 GLN A 114 -3.599 5.484 14.278 1.00 24.12 H new ATOM 0 HE21 GLN A 114 -3.319 8.613 15.022 1.00 13.41 H new ATOM 0 HE22 GLN A 114 -3.377 8.571 16.787 1.00 13.41 H new ATOM 1609 N PRO A 115 -0.478 7.103 12.075 1.00 23.20 N ATOM 1610 CA PRO A 115 -0.668 8.117 11.045 1.00 43.30 C ATOM 1611 C PRO A 115 -0.179 7.645 9.674 1.00 61.02 C ATOM 1612 O PRO A 115 -0.739 8.066 8.660 1.00 73.21 O ATOM 1613 CB PRO A 115 0.062 9.367 11.541 1.00 34.30 C ATOM 1614 CG PRO A 115 1.101 8.820 12.507 1.00 74.13 C ATOM 1615 CD PRO A 115 0.468 7.568 13.071 1.00 22.24 C ATOM 0 HA PRO A 115 -1.726 8.331 10.891 1.00 43.30 H new ATOM 0 HB2 PRO A 115 0.527 9.911 10.719 1.00 34.30 H new ATOM 0 HB3 PRO A 115 -0.620 10.059 12.036 1.00 34.30 H new ATOM 0 HG2 PRO A 115 2.038 8.596 11.998 1.00 74.13 H new ATOM 0 HG3 PRO A 115 1.329 9.539 13.294 1.00 74.13 H new ATOM 0 HD2 PRO A 115 1.223 6.809 13.274 1.00 22.24 H new ATOM 0 HD3 PRO A 115 -0.034 7.778 14.015 1.00 22.24 H new ATOM 1623 N PHE A 116 0.841 6.782 9.623 1.00 25.14 N ATOM 1624 CA PHE A 116 1.363 6.251 8.369 1.00 73.32 C ATOM 1625 C PHE A 116 0.277 5.376 7.735 1.00 20.14 C ATOM 1626 O PHE A 116 0.180 5.267 6.515 1.00 41.34 O ATOM 1627 CB PHE A 116 2.639 5.452 8.635 1.00 61.41 C ATOM 1628 CG PHE A 116 3.483 5.160 7.416 1.00 31.40 C ATOM 1629 CD1 PHE A 116 3.330 3.945 6.721 1.00 12.13 C ATOM 1630 CD2 PHE A 116 4.494 6.061 7.039 1.00 4.42 C ATOM 1631 CE1 PHE A 116 4.170 3.649 5.634 1.00 41.21 C ATOM 1632 CE2 PHE A 116 5.355 5.746 5.976 1.00 43.30 C ATOM 1633 CZ PHE A 116 5.190 4.546 5.270 1.00 31.32 C ATOM 0 H PHE A 116 1.324 6.435 10.451 1.00 25.14 H new ATOM 0 HA PHE A 116 1.620 7.058 7.683 1.00 73.32 H new ATOM 0 HB2 PHE A 116 3.247 5.999 9.355 1.00 61.41 H new ATOM 0 HB3 PHE A 116 2.365 4.506 9.102 1.00 61.41 H new ATOM 0 HD1 PHE A 116 2.568 3.242 7.023 1.00 12.13 H new ATOM 0 HD2 PHE A 116 4.608 6.996 7.567 1.00 4.42 H new ATOM 0 HE1 PHE A 116 4.032 2.733 5.078 1.00 41.21 H new ATOM 0 HE2 PHE A 116 6.145 6.429 5.702 1.00 43.30 H new ATOM 0 HZ PHE A 116 5.847 4.310 4.446 1.00 31.32 H new ATOM 1643 N ILE A 117 -0.521 4.688 8.553 1.00 70.43 N ATOM 1644 CA ILE A 117 -1.615 3.868 8.065 1.00 13.35 C ATOM 1645 C ILE A 117 -2.749 4.815 7.664 1.00 13.23 C ATOM 1646 O ILE A 117 -3.242 4.705 6.545 1.00 62.35 O ATOM 1647 CB ILE A 117 -1.994 2.761 9.071 1.00 13.12 C ATOM 1648 CG1 ILE A 117 -0.793 1.795 9.201 1.00 25.23 C ATOM 1649 CG2 ILE A 117 -3.234 2.006 8.554 1.00 21.34 C ATOM 1650 CD1 ILE A 117 -0.911 0.788 10.344 1.00 4.34 C ATOM 0 H ILE A 117 -0.422 4.688 9.568 1.00 70.43 H new ATOM 0 HA ILE A 117 -1.331 3.300 7.179 1.00 13.35 H new ATOM 0 HB ILE A 117 -2.229 3.189 10.045 1.00 13.12 H new ATOM 0 HG12 ILE A 117 -0.678 1.250 8.264 1.00 25.23 H new ATOM 0 HG13 ILE A 117 0.115 2.381 9.342 1.00 25.23 H new ATOM 0 HG21 ILE A 117 -3.505 1.223 9.262 1.00 21.34 H new ATOM 0 HG22 ILE A 117 -4.066 2.702 8.447 1.00 21.34 H new ATOM 0 HG23 ILE A 117 -3.010 1.558 7.586 1.00 21.34 H new ATOM 0 HD11 ILE A 117 -0.026 0.152 10.361 1.00 4.34 H new ATOM 0 HD12 ILE A 117 -0.993 1.321 11.291 1.00 4.34 H new ATOM 0 HD13 ILE A 117 -1.798 0.172 10.196 1.00 4.34 H new ATOM 1662 N ASN A 118 -3.104 5.781 8.521 1.00 15.20 N ATOM 1663 CA ASN A 118 -4.185 6.741 8.285 1.00 34.43 C ATOM 1664 C ASN A 118 -4.049 7.505 6.967 1.00 53.03 C ATOM 1665 O ASN A 118 -5.027 7.660 6.236 1.00 50.43 O ATOM 1666 CB ASN A 118 -4.284 7.734 9.453 1.00 51.43 C ATOM 1667 CG ASN A 118 -5.598 8.503 9.389 1.00 44.41 C ATOM 1668 OD1 ASN A 118 -5.683 9.618 8.882 1.00 1.11 O ATOM 1669 ND2 ASN A 118 -6.662 7.945 9.928 1.00 75.34 N ATOM 0 H ASN A 118 -2.636 5.918 9.417 1.00 15.20 H new ATOM 0 HA ASN A 118 -5.100 6.152 8.213 1.00 34.43 H new ATOM 0 HB2 ASN A 118 -4.215 7.199 10.400 1.00 51.43 H new ATOM 0 HB3 ASN A 118 -3.446 8.430 9.418 1.00 51.43 H new ATOM 0 HD21 ASN A 118 -7.554 8.439 9.924 1.00 75.34 H new ATOM 0 HD22 ASN A 118 -6.594 7.019 10.350 1.00 75.34 H new ATOM 1676 N GLU A 119 -2.846 7.974 6.637 1.00 45.44 N ATOM 1677 CA GLU A 119 -2.624 8.721 5.403 1.00 12.10 C ATOM 1678 C GLU A 119 -2.770 7.825 4.166 1.00 31.11 C ATOM 1679 O GLU A 119 -3.241 8.286 3.126 1.00 64.14 O ATOM 1680 CB GLU A 119 -1.269 9.441 5.468 1.00 45.24 C ATOM 1681 CG GLU A 119 -0.049 8.515 5.326 1.00 72.51 C ATOM 1682 CD GLU A 119 1.282 9.161 5.738 1.00 63.42 C ATOM 1683 OE1 GLU A 119 1.296 10.072 6.597 1.00 1.51 O ATOM 1684 OE2 GLU A 119 2.356 8.730 5.248 1.00 14.02 O ATOM 0 H GLU A 119 -2.011 7.849 7.209 1.00 45.44 H new ATOM 0 HA GLU A 119 -3.396 9.484 5.304 1.00 12.10 H new ATOM 0 HB2 GLU A 119 -1.233 10.193 4.680 1.00 45.24 H new ATOM 0 HB3 GLU A 119 -1.198 9.971 6.418 1.00 45.24 H new ATOM 0 HG2 GLU A 119 -0.211 7.624 5.932 1.00 72.51 H new ATOM 0 HG3 GLU A 119 0.025 8.186 4.289 1.00 72.51 H new ATOM 1691 N ILE A 120 -2.374 6.552 4.261 1.00 34.11 N ATOM 1692 CA ILE A 120 -2.477 5.605 3.157 1.00 62.33 C ATOM 1693 C ILE A 120 -3.942 5.197 2.993 1.00 21.25 C ATOM 1694 O ILE A 120 -4.419 5.092 1.863 1.00 55.31 O ATOM 1695 CB ILE A 120 -1.533 4.405 3.406 1.00 25.11 C ATOM 1696 CG1 ILE A 120 -0.044 4.824 3.341 1.00 52.05 C ATOM 1697 CG2 ILE A 120 -1.787 3.214 2.463 1.00 31.50 C ATOM 1698 CD1 ILE A 120 0.460 5.326 1.994 1.00 72.34 C ATOM 0 H ILE A 120 -1.973 6.153 5.109 1.00 34.11 H new ATOM 0 HA ILE A 120 -2.157 6.059 2.219 1.00 62.33 H new ATOM 0 HB ILE A 120 -1.764 4.067 4.416 1.00 25.11 H new ATOM 0 HG12 ILE A 120 0.123 5.606 4.082 1.00 52.05 H new ATOM 0 HG13 ILE A 120 0.565 3.969 3.637 1.00 52.05 H new ATOM 0 HG21 ILE A 120 -1.089 2.410 2.696 1.00 31.50 H new ATOM 0 HG22 ILE A 120 -2.808 2.857 2.595 1.00 31.50 H new ATOM 0 HG23 ILE A 120 -1.644 3.531 1.430 1.00 31.50 H new ATOM 0 HD11 ILE A 120 1.515 5.588 2.075 1.00 72.34 H new ATOM 0 HD12 ILE A 120 0.337 4.544 1.245 1.00 72.34 H new ATOM 0 HD13 ILE A 120 -0.111 6.206 1.697 1.00 72.34 H new ATOM 1710 N THR A 121 -4.667 4.968 4.093 1.00 30.12 N ATOM 1711 CA THR A 121 -6.070 4.577 4.025 1.00 74.34 C ATOM 1712 C THR A 121 -6.886 5.716 3.401 1.00 64.55 C ATOM 1713 O THR A 121 -7.841 5.444 2.663 1.00 51.33 O ATOM 1714 CB THR A 121 -6.579 4.096 5.397 1.00 61.10 C ATOM 1715 OG1 THR A 121 -6.420 5.083 6.389 1.00 34.13 O ATOM 1716 CG2 THR A 121 -5.837 2.822 5.829 1.00 11.34 C ATOM 0 H THR A 121 -4.300 5.048 5.041 1.00 30.12 H new ATOM 0 HA THR A 121 -6.193 3.715 3.370 1.00 74.34 H new ATOM 0 HB THR A 121 -7.643 3.885 5.288 1.00 61.10 H new ATOM 0 HG1 THR A 121 -5.956 5.858 6.008 1.00 34.13 H new ATOM 0 HG21 THR A 121 -6.209 2.496 6.800 1.00 11.34 H new ATOM 0 HG22 THR A 121 -6.006 2.036 5.093 1.00 11.34 H new ATOM 0 HG23 THR A 121 -4.769 3.029 5.900 1.00 11.34 H new ATOM 1724 N GLN A 122 -6.477 6.973 3.633 1.00 52.51 N ATOM 1725 CA GLN A 122 -7.136 8.140 3.069 1.00 33.43 C ATOM 1726 C GLN A 122 -7.039 8.095 1.544 1.00 12.54 C ATOM 1727 O GLN A 122 -8.035 8.395 0.890 1.00 71.43 O ATOM 1728 CB GLN A 122 -6.516 9.451 3.587 1.00 3.33 C ATOM 1729 CG GLN A 122 -7.152 10.016 4.864 1.00 61.23 C ATOM 1730 CD GLN A 122 -8.674 10.094 4.789 1.00 11.00 C ATOM 1731 OE1 GLN A 122 -9.365 9.413 5.545 1.00 40.42 O ATOM 1732 NE2 GLN A 122 -9.236 10.853 3.862 1.00 74.03 N ATOM 0 H GLN A 122 -5.675 7.199 4.221 1.00 52.51 H new ATOM 0 HA GLN A 122 -8.181 8.118 3.380 1.00 33.43 H new ATOM 0 HB2 GLN A 122 -5.455 9.284 3.772 1.00 3.33 H new ATOM 0 HB3 GLN A 122 -6.588 10.203 2.801 1.00 3.33 H new ATOM 0 HG2 GLN A 122 -6.867 9.392 5.711 1.00 61.23 H new ATOM 0 HG3 GLN A 122 -6.752 11.012 5.052 1.00 61.23 H new ATOM 0 HE21 GLN A 122 -8.654 11.414 3.240 1.00 74.03 H new ATOM 0 HE22 GLN A 122 -10.251 10.877 3.769 1.00 74.03 H new ATOM 1741 N LEU A 123 -5.888 7.716 0.965 1.00 32.32 N ATOM 1742 CA LEU A 123 -5.766 7.651 -0.490 1.00 63.02 C ATOM 1743 C LEU A 123 -6.776 6.660 -1.057 1.00 12.42 C ATOM 1744 O LEU A 123 -7.415 6.984 -2.054 1.00 52.41 O ATOM 1745 CB LEU A 123 -4.359 7.245 -0.962 1.00 35.30 C ATOM 1746 CG LEU A 123 -3.390 8.367 -1.349 1.00 51.44 C ATOM 1747 CD1 LEU A 123 -3.937 9.228 -2.492 1.00 12.01 C ATOM 1748 CD2 LEU A 123 -2.982 9.207 -0.142 1.00 43.22 C ATOM 0 H LEU A 123 -5.045 7.455 1.477 1.00 32.32 H new ATOM 0 HA LEU A 123 -5.961 8.659 -0.857 1.00 63.02 H new ATOM 0 HB2 LEU A 123 -3.895 6.659 -0.169 1.00 35.30 H new ATOM 0 HB3 LEU A 123 -4.471 6.585 -1.823 1.00 35.30 H new ATOM 0 HG LEU A 123 -2.484 7.890 -1.722 1.00 51.44 H new ATOM 0 HD11 LEU A 123 -3.218 10.011 -2.734 1.00 12.01 H new ATOM 0 HD12 LEU A 123 -4.103 8.604 -3.370 1.00 12.01 H new ATOM 0 HD13 LEU A 123 -4.879 9.683 -2.186 1.00 12.01 H new ATOM 0 HD21 LEU A 123 -2.295 9.991 -0.460 1.00 43.22 H new ATOM 0 HD22 LEU A 123 -3.868 9.660 0.303 1.00 43.22 H new ATOM 0 HD23 LEU A 123 -2.491 8.571 0.595 1.00 43.22 H new ATOM 1760 N VAL A 124 -6.939 5.481 -0.440 1.00 51.11 N ATOM 1761 CA VAL A 124 -7.896 4.496 -0.929 1.00 2.31 C ATOM 1762 C VAL A 124 -9.299 5.124 -0.914 1.00 3.30 C ATOM 1763 O VAL A 124 -10.055 4.997 -1.875 1.00 64.02 O ATOM 1764 CB VAL A 124 -7.868 3.214 -0.068 1.00 0.20 C ATOM 1765 CG1 VAL A 124 -8.613 2.056 -0.742 1.00 33.45 C ATOM 1766 CG2 VAL A 124 -6.463 2.684 0.259 1.00 50.25 C ATOM 0 H VAL A 124 -6.422 5.194 0.391 1.00 51.11 H new ATOM 0 HA VAL A 124 -7.628 4.210 -1.946 1.00 2.31 H new ATOM 0 HB VAL A 124 -8.351 3.532 0.856 1.00 0.20 H new ATOM 0 HG11 VAL A 124 -8.569 1.174 -0.103 1.00 33.45 H new ATOM 0 HG12 VAL A 124 -9.654 2.337 -0.902 1.00 33.45 H new ATOM 0 HG13 VAL A 124 -8.146 1.833 -1.701 1.00 33.45 H new ATOM 0 HG21 VAL A 124 -6.546 1.783 0.866 1.00 50.25 H new ATOM 0 HG22 VAL A 124 -5.938 2.450 -0.667 1.00 50.25 H new ATOM 0 HG23 VAL A 124 -5.907 3.443 0.810 1.00 50.25 H new ATOM 1776 N SER A 125 -9.642 5.816 0.177 1.00 34.12 N ATOM 1777 CA SER A 125 -10.931 6.461 0.351 1.00 51.33 C ATOM 1778 C SER A 125 -11.174 7.523 -0.724 1.00 25.34 C ATOM 1779 O SER A 125 -12.244 7.536 -1.340 1.00 65.11 O ATOM 1780 CB SER A 125 -11.005 7.048 1.770 1.00 70.14 C ATOM 1781 OG SER A 125 -12.344 7.250 2.167 1.00 32.41 O ATOM 0 H SER A 125 -9.016 5.941 0.972 1.00 34.12 H new ATOM 0 HA SER A 125 -11.726 5.724 0.233 1.00 51.33 H new ATOM 0 HB2 SER A 125 -10.512 6.375 2.471 1.00 70.14 H new ATOM 0 HB3 SER A 125 -10.466 7.995 1.804 1.00 70.14 H new ATOM 0 HG SER A 125 -12.364 7.622 3.073 1.00 32.41 H new ATOM 1787 N MET A 126 -10.201 8.400 -0.962 1.00 21.44 N ATOM 1788 CA MET A 126 -10.318 9.454 -1.951 1.00 61.13 C ATOM 1789 C MET A 126 -10.399 8.865 -3.360 1.00 20.14 C ATOM 1790 O MET A 126 -11.188 9.352 -4.170 1.00 31.21 O ATOM 1791 CB MET A 126 -9.125 10.408 -1.814 1.00 43.02 C ATOM 1792 CG MET A 126 -9.283 11.616 -2.746 1.00 0.14 C ATOM 1793 SD MET A 126 -8.037 12.914 -2.543 1.00 50.20 S ATOM 1794 CE MET A 126 -6.533 11.999 -2.951 1.00 1.25 C ATOM 0 H MET A 126 -9.308 8.394 -0.469 1.00 21.44 H new ATOM 0 HA MET A 126 -11.238 10.013 -1.780 1.00 61.13 H new ATOM 0 HB2 MET A 126 -9.042 10.748 -0.782 1.00 43.02 H new ATOM 0 HB3 MET A 126 -8.202 9.879 -2.050 1.00 43.02 H new ATOM 0 HG2 MET A 126 -9.254 11.265 -3.778 1.00 0.14 H new ATOM 0 HG3 MET A 126 -10.269 12.052 -2.585 1.00 0.14 H new ATOM 0 HE1 MET A 126 -5.880 12.625 -3.560 1.00 1.25 H new ATOM 0 HE2 MET A 126 -6.016 11.721 -2.033 1.00 1.25 H new ATOM 0 HE3 MET A 126 -6.794 11.099 -3.507 1.00 1.25 H new ATOM 1804 N PHE A 127 -9.609 7.827 -3.664 1.00 33.12 N ATOM 1805 CA PHE A 127 -9.633 7.233 -4.998 1.00 25.24 C ATOM 1806 C PHE A 127 -10.996 6.598 -5.249 1.00 70.33 C ATOM 1807 O PHE A 127 -11.546 6.716 -6.344 1.00 10.13 O ATOM 1808 CB PHE A 127 -8.479 6.245 -5.198 1.00 14.40 C ATOM 1809 CG PHE A 127 -8.338 5.807 -6.648 1.00 33.33 C ATOM 1810 CD1 PHE A 127 -7.511 6.544 -7.514 1.00 72.30 C ATOM 1811 CD2 PHE A 127 -9.084 4.728 -7.164 1.00 72.21 C ATOM 1812 CE1 PHE A 127 -7.453 6.227 -8.882 1.00 74.25 C ATOM 1813 CE2 PHE A 127 -8.996 4.385 -8.524 1.00 3.51 C ATOM 1814 CZ PHE A 127 -8.198 5.149 -9.390 1.00 15.35 C ATOM 0 H PHE A 127 -8.957 7.390 -3.013 1.00 33.12 H new ATOM 0 HA PHE A 127 -9.484 8.018 -5.739 1.00 25.24 H new ATOM 0 HB2 PHE A 127 -7.548 6.706 -4.868 1.00 14.40 H new ATOM 0 HB3 PHE A 127 -8.641 5.369 -4.570 1.00 14.40 H new ATOM 0 HD1 PHE A 127 -6.917 7.358 -7.126 1.00 72.30 H new ATOM 0 HD2 PHE A 127 -9.728 4.160 -6.509 1.00 72.21 H new ATOM 0 HE1 PHE A 127 -6.834 6.814 -9.545 1.00 74.25 H new ATOM 0 HE2 PHE A 127 -9.542 3.534 -8.903 1.00 3.51 H new ATOM 0 HZ PHE A 127 -8.157 4.909 -10.442 1.00 15.35 H new ATOM 1824 N ALA A 128 -11.574 5.957 -4.230 1.00 45.21 N ATOM 1825 CA ALA A 128 -12.877 5.331 -4.340 1.00 32.13 C ATOM 1826 C ALA A 128 -13.950 6.381 -4.664 1.00 60.44 C ATOM 1827 O ALA A 128 -14.877 6.080 -5.420 1.00 22.30 O ATOM 1828 CB ALA A 128 -13.185 4.599 -3.037 1.00 44.12 C ATOM 0 H ALA A 128 -11.145 5.862 -3.309 1.00 45.21 H new ATOM 0 HA ALA A 128 -12.875 4.609 -5.156 1.00 32.13 H new ATOM 0 HB1 ALA A 128 -14.164 4.124 -3.109 1.00 44.12 H new ATOM 0 HB2 ALA A 128 -12.425 3.838 -2.858 1.00 44.12 H new ATOM 0 HB3 ALA A 128 -13.187 5.311 -2.211 1.00 44.12 H new ATOM 1834 N GLN A 129 -13.847 7.600 -4.114 1.00 4.21 N ATOM 1835 CA GLN A 129 -14.817 8.660 -4.389 1.00 22.12 C ATOM 1836 C GLN A 129 -14.752 9.122 -5.841 1.00 12.45 C ATOM 1837 O GLN A 129 -15.787 9.506 -6.387 1.00 5.12 O ATOM 1838 CB GLN A 129 -14.605 9.889 -3.489 1.00 3.31 C ATOM 1839 CG GLN A 129 -15.054 9.682 -2.043 1.00 15.52 C ATOM 1840 CD GLN A 129 -16.499 9.193 -1.929 1.00 73.23 C ATOM 1841 OE1 GLN A 129 -17.379 9.583 -2.694 1.00 12.24 O ATOM 1842 NE2 GLN A 129 -16.770 8.261 -1.029 1.00 51.23 N ATOM 0 H GLN A 129 -13.099 7.872 -3.476 1.00 4.21 H new ATOM 0 HA GLN A 129 -15.794 8.223 -4.182 1.00 22.12 H new ATOM 0 HB2 GLN A 129 -13.548 10.155 -3.496 1.00 3.31 H new ATOM 0 HB3 GLN A 129 -15.149 10.734 -3.911 1.00 3.31 H new ATOM 0 HG2 GLN A 129 -14.393 8.960 -1.563 1.00 15.52 H new ATOM 0 HG3 GLN A 129 -14.950 10.620 -1.498 1.00 15.52 H new ATOM 0 HE21 GLN A 129 -16.040 7.937 -0.394 1.00 51.23 H new ATOM 0 HE22 GLN A 129 -17.709 7.866 -0.970 1.00 51.23 H new