USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 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 47 SER OG : rot -117:sc= 1.3 USER MOD Set 1.2: A 56 HIS : no HD1:sc= 1 K(o=2.3,f=-4.7!) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -2.26 K(o=-1.4,f=-10!) USER MOD Set 2.2: A 86 GLN : amide:sc= 0.846 K(o=-1.4,f=-8.6!) USER MOD Single : A 6 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.012) USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 1.29 (180deg=0.877) USER MOD Single : A 10 THR OG1 : rot 26:sc= -3.33! USER MOD Single : A 12 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.42!) USER MOD Single : A 15 SER OG : rot -48:sc= 0.762 USER MOD Single : A 16 SER OG : rot 82:sc= -1.02! USER MOD Single : A 17 ASN : amide:sc= -3.92! C(o=-3.9!,f=-18!) USER MOD Single : A 19 ASN :FLIP amide:sc=-0.00529 F(o=-0.52,f=-0.0053) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc=-0.00376 (180deg=-0.127) USER MOD Single : A 23 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.039) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -87:sc= 1.16 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -6.35! USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -1.92! (180deg=-3.43!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.2!) USER MOD Single : A 77 SER OG : rot 40:sc= 0.0925 USER MOD Single : A 79 LYS NZ :NH3+ -122:sc= -0.413 (180deg=-1.95!) USER MOD Single : A 84 HIS :FLIP no HE2:sc= -1.18 F(o=-2,f=-1.2) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= 0.00794 X(o=0.0079,f=-0.064) USER MOD Single : A 88 THR OG1 : rot 84:sc= 0.546 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.0421 K(o=-0.042,f=-2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 91.389 -0.246 -15.355 1.00 0.00 N ATOM 31 CA LEU A 3 91.749 -0.421 -13.918 1.00 0.00 C ATOM 32 C LEU A 3 90.633 -1.196 -13.194 1.00 0.00 C ATOM 33 O LEU A 3 89.465 -0.915 -13.374 1.00 0.00 O ATOM 34 CB LEU A 3 91.901 0.959 -13.268 1.00 0.00 C ATOM 35 CG LEU A 3 93.044 1.728 -13.937 1.00 0.00 C ATOM 36 CD1 LEU A 3 92.979 3.201 -13.524 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.387 1.138 -13.497 1.00 0.00 C ATOM 0 HA LEU A 3 92.684 -0.976 -13.844 1.00 0.00 H new ATOM 0 HB2 LEU A 3 90.971 1.519 -13.362 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.101 0.848 -12.202 1.00 0.00 H new ATOM 0 HG LEU A 3 92.948 1.647 -15.020 1.00 0.00 H new ATOM 0 HD11 LEU A 3 93.792 3.749 -14.000 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.025 3.625 -13.837 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.074 3.280 -12.441 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.199 1.686 -13.974 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.482 1.218 -12.414 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.437 0.089 -13.789 1.00 0.00 H new ATOM 49 N PRO A 4 90.992 -2.151 -12.364 1.00 0.00 N ATOM 50 CA PRO A 4 90.008 -2.960 -11.584 1.00 0.00 C ATOM 51 C PRO A 4 88.986 -2.074 -10.875 1.00 0.00 C ATOM 52 O PRO A 4 87.930 -2.515 -10.467 1.00 0.00 O ATOM 53 CB PRO A 4 90.856 -3.676 -10.534 1.00 0.00 C ATOM 54 CG PRO A 4 92.259 -3.672 -11.043 1.00 0.00 C ATOM 55 CD PRO A 4 92.377 -2.560 -12.085 1.00 0.00 C ATOM 0 HA PRO A 4 89.447 -3.633 -12.232 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.792 -3.168 -9.572 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.503 -4.696 -10.380 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.961 -3.505 -10.226 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.507 -4.637 -11.485 1.00 0.00 H new ATOM 0 HD2 PRO A 4 92.966 -1.725 -11.706 1.00 0.00 H new ATOM 0 HD3 PRO A 4 92.873 -2.916 -12.988 1.00 0.00 H new ATOM 63 N HIS A 5 89.314 -0.828 -10.707 1.00 0.00 N ATOM 64 CA HIS A 5 88.395 0.103 -10.008 1.00 0.00 C ATOM 65 C HIS A 5 87.120 0.273 -10.832 1.00 0.00 C ATOM 66 O HIS A 5 86.100 0.717 -10.344 1.00 0.00 O ATOM 67 CB HIS A 5 89.108 1.439 -9.833 1.00 0.00 C ATOM 68 CG HIS A 5 90.358 1.208 -9.023 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.325 0.634 -7.761 1.00 0.00 N ATOM 70 CD2 HIS A 5 91.685 1.444 -9.291 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.594 0.545 -7.322 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.462 1.025 -8.216 1.00 0.00 N ATOM 0 H HIS A 5 90.188 -0.411 -11.027 1.00 0.00 H new ATOM 0 HA HIS A 5 88.119 -0.290 -9.030 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.359 1.865 -10.804 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.457 2.154 -9.330 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.067 1.888 -10.199 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.876 0.135 -6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.477 1.074 -8.129 1.00 0.00 H new ATOM 80 N HIS A 6 87.173 -0.095 -12.079 1.00 0.00 N ATOM 81 CA HIS A 6 85.973 0.014 -12.949 1.00 0.00 C ATOM 82 C HIS A 6 84.882 -0.932 -12.439 1.00 0.00 C ATOM 83 O HIS A 6 83.706 -0.631 -12.497 1.00 0.00 O ATOM 84 CB HIS A 6 86.364 -0.380 -14.370 1.00 0.00 C ATOM 85 CG HIS A 6 87.248 0.687 -14.945 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.669 0.674 -16.264 1.00 0.00 N ATOM 87 CD2 HIS A 6 87.790 1.818 -14.389 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.429 1.768 -16.458 1.00 0.00 C ATOM 89 NE2 HIS A 6 88.536 2.499 -15.346 1.00 0.00 N ATOM 0 H HIS A 6 88.004 -0.470 -12.537 1.00 0.00 H new ATOM 0 HA HIS A 6 85.595 1.036 -12.935 1.00 0.00 H new ATOM 0 HB2 HIS A 6 86.884 -1.338 -14.366 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.473 -0.503 -14.986 1.00 0.00 H new ATOM 0 HD2 HIS A 6 87.658 2.132 -13.364 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.895 2.023 -17.398 1.00 0.00 H new ATOM 0 HE2 HIS A 6 89.053 3.370 -15.224 1.00 0.00 H new ATOM 97 N ASP A 7 85.269 -2.087 -11.957 1.00 0.00 N ATOM 98 CA ASP A 7 84.267 -3.074 -11.459 1.00 0.00 C ATOM 99 C ASP A 7 84.117 -2.963 -9.934 1.00 0.00 C ATOM 100 O ASP A 7 85.083 -2.982 -9.200 1.00 0.00 O ATOM 101 CB ASP A 7 84.731 -4.487 -11.829 1.00 0.00 C ATOM 102 CG ASP A 7 84.636 -4.681 -13.345 1.00 0.00 C ATOM 103 OD1 ASP A 7 83.733 -4.119 -13.941 1.00 0.00 O ATOM 104 OD2 ASP A 7 85.469 -5.389 -13.883 1.00 0.00 O ATOM 0 H ASP A 7 86.241 -2.388 -11.888 1.00 0.00 H new ATOM 0 HA ASP A 7 83.301 -2.867 -11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.757 -4.642 -11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.115 -5.228 -11.319 1.00 0.00 H new ATOM 109 N GLU A 8 82.901 -2.856 -9.464 1.00 0.00 N ATOM 110 CA GLU A 8 82.653 -2.749 -7.995 1.00 0.00 C ATOM 111 C GLU A 8 82.909 -4.098 -7.327 1.00 0.00 C ATOM 112 O GLU A 8 83.317 -4.175 -6.185 1.00 0.00 O ATOM 113 CB GLU A 8 81.197 -2.333 -7.758 1.00 0.00 C ATOM 114 CG GLU A 8 81.005 -0.874 -8.174 1.00 0.00 C ATOM 115 CD GLU A 8 79.567 -0.443 -7.876 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.757 -1.309 -7.588 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.301 0.748 -7.940 1.00 0.00 O ATOM 0 H GLU A 8 82.061 -2.838 -10.042 1.00 0.00 H new ATOM 0 HA GLU A 8 83.325 -2.004 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.527 -2.976 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.939 -2.459 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.706 -0.236 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.218 -0.757 -9.236 1.00 0.00 H new ATOM 124 N LYS A 9 82.667 -5.162 -8.031 1.00 0.00 N ATOM 125 CA LYS A 9 82.883 -6.515 -7.450 1.00 0.00 C ATOM 126 C LYS A 9 84.343 -6.698 -7.036 1.00 0.00 C ATOM 127 O LYS A 9 84.648 -7.500 -6.181 1.00 0.00 O ATOM 128 CB LYS A 9 82.520 -7.558 -8.501 1.00 0.00 C ATOM 129 CG LYS A 9 83.338 -7.289 -9.775 1.00 0.00 C ATOM 130 CD LYS A 9 84.059 -8.557 -10.249 1.00 0.00 C ATOM 131 CE LYS A 9 85.508 -8.531 -9.758 1.00 0.00 C ATOM 132 NZ LYS A 9 85.951 -9.914 -9.435 1.00 0.00 N ATOM 0 H LYS A 9 82.326 -5.155 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 9 82.257 -6.630 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.727 -8.560 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.454 -7.515 -8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 9 82.679 -6.926 -10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 9 84.068 -6.503 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.550 -9.442 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 9 84.033 -8.618 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 9 86.154 -8.101 -10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.592 -7.896 -8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 86.697 -9.879 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 85.144 -10.462 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 86.322 -10.369 -10.293 1.00 0.00 H new ATOM 146 N THR A 10 85.248 -5.977 -7.637 1.00 0.00 N ATOM 147 CA THR A 10 86.686 -6.136 -7.267 1.00 0.00 C ATOM 148 C THR A 10 86.930 -5.625 -5.836 1.00 0.00 C ATOM 149 O THR A 10 87.794 -6.116 -5.133 1.00 0.00 O ATOM 150 CB THR A 10 87.562 -5.396 -8.292 1.00 0.00 C ATOM 151 OG1 THR A 10 87.172 -4.034 -8.378 1.00 0.00 O ATOM 152 CG2 THR A 10 87.407 -6.059 -9.659 1.00 0.00 C ATOM 0 H THR A 10 85.058 -5.288 -8.365 1.00 0.00 H new ATOM 0 HA THR A 10 86.956 -7.192 -7.285 1.00 0.00 H new ATOM 0 HB THR A 10 88.603 -5.445 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.753 -3.760 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.026 -5.537 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 10 87.721 -7.101 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.363 -6.012 -9.970 1.00 0.00 H new ATOM 160 N TRP A 11 86.165 -4.669 -5.388 1.00 0.00 N ATOM 161 CA TRP A 11 86.343 -4.160 -3.995 1.00 0.00 C ATOM 162 C TRP A 11 84.991 -4.138 -3.281 1.00 0.00 C ATOM 163 O TRP A 11 84.921 -4.154 -2.071 1.00 0.00 O ATOM 164 CB TRP A 11 86.902 -2.736 -4.040 1.00 0.00 C ATOM 165 CG TRP A 11 86.544 -2.114 -5.349 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.145 -2.398 -6.520 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.524 -1.115 -5.643 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.550 -1.662 -7.524 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.550 -0.845 -7.032 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.586 -0.428 -4.850 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.676 0.079 -7.613 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.708 0.501 -5.433 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.754 0.753 -6.810 1.00 0.00 C ATOM 0 H TRP A 11 85.424 -4.217 -5.924 1.00 0.00 H new ATOM 0 HA TRP A 11 87.033 -4.813 -3.460 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.495 -2.146 -3.219 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.985 -2.752 -3.915 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.962 -3.091 -6.652 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.815 -1.714 -8.507 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.541 -0.616 -3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.714 0.270 -8.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.993 1.024 -4.815 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.076 1.469 -7.251 1.00 0.00 H new ATOM 184 N ASN A 12 83.917 -4.071 -4.023 1.00 0.00 N ATOM 185 CA ASN A 12 82.568 -4.010 -3.386 1.00 0.00 C ATOM 186 C ASN A 12 82.095 -5.392 -2.961 1.00 0.00 C ATOM 187 O ASN A 12 82.027 -6.320 -3.743 1.00 0.00 O ATOM 188 CB ASN A 12 81.560 -3.416 -4.370 1.00 0.00 C ATOM 189 CG ASN A 12 80.251 -3.118 -3.632 1.00 0.00 C ATOM 190 OD1 ASN A 12 80.268 -2.731 -2.481 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.112 -3.286 -4.247 1.00 0.00 N ATOM 0 H ASN A 12 83.915 -4.056 -5.043 1.00 0.00 H new ATOM 0 HA ASN A 12 82.643 -3.381 -2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.959 -2.502 -4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.379 -4.112 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.236 -3.092 -3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.097 -3.611 -5.214 1.00 0.00 H new ATOM 198 N VAL A 13 81.744 -5.509 -1.713 1.00 0.00 N ATOM 199 CA VAL A 13 81.241 -6.798 -1.180 1.00 0.00 C ATOM 200 C VAL A 13 79.967 -6.509 -0.375 1.00 0.00 C ATOM 201 O VAL A 13 79.675 -7.162 0.608 1.00 0.00 O ATOM 202 CB VAL A 13 82.305 -7.437 -0.282 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.762 -8.745 0.303 1.00 0.00 C ATOM 204 CG2 VAL A 13 83.565 -7.724 -1.110 1.00 0.00 C ATOM 0 H VAL A 13 81.786 -4.752 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 13 81.021 -7.491 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 13 82.554 -6.755 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.519 -9.200 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 13 80.868 -8.537 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 13 81.512 -9.430 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.323 -8.179 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.318 -8.406 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.950 -6.791 -1.523 1.00 0.00 H new ATOM 214 N GLY A 14 79.216 -5.520 -0.794 1.00 0.00 N ATOM 215 CA GLY A 14 77.959 -5.156 -0.076 1.00 0.00 C ATOM 216 C GLY A 14 77.196 -6.418 0.309 1.00 0.00 C ATOM 217 O GLY A 14 77.598 -7.522 -0.003 1.00 0.00 O ATOM 0 H GLY A 14 79.424 -4.945 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.195 -4.577 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.337 -4.524 -0.711 1.00 0.00 H new ATOM 221 N SER A 15 76.098 -6.261 0.996 1.00 0.00 N ATOM 222 CA SER A 15 75.305 -7.444 1.418 1.00 0.00 C ATOM 223 C SER A 15 76.167 -8.311 2.329 1.00 0.00 C ATOM 224 O SER A 15 75.987 -9.509 2.414 1.00 0.00 O ATOM 225 CB SER A 15 74.892 -8.258 0.191 1.00 0.00 C ATOM 226 OG SER A 15 74.033 -9.314 0.597 1.00 0.00 O ATOM 0 H SER A 15 75.717 -5.360 1.283 1.00 0.00 H new ATOM 0 HA SER A 15 74.410 -7.115 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 15 74.385 -7.618 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 15 75.774 -8.662 -0.306 1.00 0.00 H new ATOM 0 HG SER A 15 74.429 -9.782 1.362 1.00 0.00 H new ATOM 232 N SER A 16 77.106 -7.713 3.011 1.00 0.00 N ATOM 233 CA SER A 16 77.981 -8.505 3.916 1.00 0.00 C ATOM 234 C SER A 16 78.013 -7.855 5.300 1.00 0.00 C ATOM 235 O SER A 16 78.116 -6.651 5.435 1.00 0.00 O ATOM 236 CB SER A 16 79.397 -8.561 3.343 1.00 0.00 C ATOM 237 OG SER A 16 79.375 -9.258 2.101 1.00 0.00 O ATOM 0 H SER A 16 77.303 -6.713 2.980 1.00 0.00 H new ATOM 0 HA SER A 16 77.586 -9.517 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 16 79.784 -7.552 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 16 80.065 -9.063 4.043 1.00 0.00 H new ATOM 0 HG SER A 16 79.095 -8.647 1.388 1.00 0.00 H new ATOM 243 N ASN A 17 77.923 -8.650 6.327 1.00 0.00 N ATOM 244 CA ASN A 17 77.941 -8.104 7.711 1.00 0.00 C ATOM 245 C ASN A 17 79.384 -7.808 8.133 1.00 0.00 C ATOM 246 O ASN A 17 80.327 -8.205 7.480 1.00 0.00 O ATOM 247 CB ASN A 17 77.313 -9.134 8.650 1.00 0.00 C ATOM 248 CG ASN A 17 78.150 -10.410 8.627 1.00 0.00 C ATOM 249 OD1 ASN A 17 79.358 -10.356 8.709 1.00 0.00 O ATOM 250 ND2 ASN A 17 77.552 -11.562 8.507 1.00 0.00 N ATOM 0 H ASN A 17 77.837 -9.665 6.266 1.00 0.00 H new ATOM 0 HA ASN A 17 77.372 -7.175 7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 17 77.262 -8.736 9.664 1.00 0.00 H new ATOM 0 HB3 ASN A 17 76.290 -9.350 8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 17 78.101 -12.421 8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 17 76.535 -11.604 8.438 1.00 0.00 H new ATOM 257 N ARG A 18 79.561 -7.103 9.215 1.00 0.00 N ATOM 258 CA ARG A 18 80.938 -6.775 9.676 1.00 0.00 C ATOM 259 C ARG A 18 81.686 -8.054 10.040 1.00 0.00 C ATOM 260 O ARG A 18 82.888 -8.146 9.891 1.00 0.00 O ATOM 261 CB ARG A 18 80.873 -5.863 10.899 1.00 0.00 C ATOM 262 CG ARG A 18 80.373 -4.484 10.475 1.00 0.00 C ATOM 263 CD ARG A 18 80.397 -3.538 11.675 1.00 0.00 C ATOM 264 NE ARG A 18 79.657 -2.283 11.328 1.00 0.00 N ATOM 265 CZ ARG A 18 79.959 -1.592 10.260 1.00 0.00 C ATOM 266 NH1 ARG A 18 81.021 -1.884 9.558 1.00 0.00 N ATOM 267 NH2 ARG A 18 79.218 -0.575 9.915 1.00 0.00 N ATOM 0 H ARG A 18 78.810 -6.739 9.801 1.00 0.00 H new ATOM 0 HA ARG A 18 81.465 -6.265 8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 18 80.207 -6.289 11.649 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.858 -5.780 11.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 81.000 -4.089 9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.360 -4.559 10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 18 79.939 -4.017 12.540 1.00 0.00 H new ATOM 0 HD3 ARG A 18 81.426 -3.304 11.948 1.00 0.00 H new ATOM 0 HE ARG A 18 78.904 -1.962 11.936 1.00 0.00 H new ATOM 0 HH11 ARG A 18 81.623 -2.657 9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 18 81.248 -1.339 8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 18 78.406 -0.321 10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 18 79.451 -0.034 9.082 1.00 0.00 H new ATOM 281 N ASN A 19 80.988 -9.039 10.536 1.00 0.00 N ATOM 282 CA ASN A 19 81.669 -10.304 10.922 1.00 0.00 C ATOM 283 C ASN A 19 82.257 -10.958 9.671 1.00 0.00 C ATOM 284 O ASN A 19 83.396 -11.380 9.656 1.00 0.00 O ATOM 285 CB ASN A 19 80.660 -11.257 11.569 1.00 0.00 C ATOM 286 CG ASN A 19 80.228 -10.719 12.937 1.00 0.00 C ATOM 287 OD1 ASN A 19 81.124 -10.242 13.757 1.00 0.00 O flip ATOM 288 ND2 ASN A 19 79.058 -10.736 13.264 1.00 0.00 N flip ATOM 0 H ASN A 19 79.980 -9.022 10.690 1.00 0.00 H new ATOM 0 HA ASN A 19 82.465 -10.087 11.634 1.00 0.00 H new ATOM 0 HB2 ASN A 19 79.789 -11.370 10.923 1.00 0.00 H new ATOM 0 HB3 ASN A 19 81.104 -12.246 11.682 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.355 -11.108 12.625 1.00 0.00 H new ATOM 0 HD22 ASN A 19 78.778 -10.378 14.177 1.00 0.00 H new ATOM 295 N LYS A 20 81.489 -11.036 8.617 1.00 0.00 N ATOM 296 CA LYS A 20 82.001 -11.652 7.362 1.00 0.00 C ATOM 297 C LYS A 20 83.180 -10.834 6.846 1.00 0.00 C ATOM 298 O LYS A 20 84.162 -11.369 6.376 1.00 0.00 O ATOM 299 CB LYS A 20 80.900 -11.652 6.300 1.00 0.00 C ATOM 300 CG LYS A 20 81.387 -12.397 5.050 1.00 0.00 C ATOM 301 CD LYS A 20 80.232 -12.550 4.060 1.00 0.00 C ATOM 302 CE LYS A 20 79.403 -13.780 4.435 1.00 0.00 C ATOM 303 NZ LYS A 20 80.112 -15.009 3.977 1.00 0.00 N ATOM 0 H LYS A 20 80.527 -10.699 8.573 1.00 0.00 H new ATOM 0 HA LYS A 20 82.314 -12.676 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.002 -12.129 6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 20 80.630 -10.628 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 20 82.207 -11.850 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 20 81.774 -13.378 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 20 79.606 -11.658 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.618 -12.653 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 20 79.250 -13.815 5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 78.417 -13.722 3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 79.443 -15.805 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 80.504 -14.850 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 80.884 -15.231 4.638 1.00 0.00 H new ATOM 317 N ALA A 21 83.088 -9.535 6.928 1.00 0.00 N ATOM 318 CA ALA A 21 84.203 -8.686 6.432 1.00 0.00 C ATOM 319 C ALA A 21 85.481 -9.025 7.205 1.00 0.00 C ATOM 320 O ALA A 21 86.559 -9.064 6.647 1.00 0.00 O ATOM 321 CB ALA A 21 83.847 -7.206 6.617 1.00 0.00 C ATOM 0 H ALA A 21 82.292 -9.028 7.315 1.00 0.00 H new ATOM 0 HA ALA A 21 84.366 -8.877 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.666 -6.586 6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.941 -6.977 6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.680 -7.001 7.675 1.00 0.00 H new ATOM 327 N GLU A 22 85.377 -9.285 8.480 1.00 0.00 N ATOM 328 CA GLU A 22 86.598 -9.629 9.263 1.00 0.00 C ATOM 329 C GLU A 22 87.234 -10.888 8.663 1.00 0.00 C ATOM 330 O GLU A 22 88.429 -10.959 8.470 1.00 0.00 O ATOM 331 CB GLU A 22 86.204 -9.892 10.717 1.00 0.00 C ATOM 332 CG GLU A 22 87.459 -9.950 11.589 1.00 0.00 C ATOM 333 CD GLU A 22 87.049 -9.870 13.060 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.888 -10.110 13.341 1.00 0.00 O ATOM 335 OE2 GLU A 22 87.901 -9.566 13.878 1.00 0.00 O ATOM 0 H GLU A 22 84.506 -9.274 9.010 1.00 0.00 H new ATOM 0 HA GLU A 22 87.312 -8.806 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.539 -9.105 11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 22 85.654 -10.830 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 22 88.006 -10.874 11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 22 88.129 -9.127 11.340 1.00 0.00 H new ATOM 342 N ASN A 23 86.434 -11.871 8.346 1.00 0.00 N ATOM 343 CA ASN A 23 86.970 -13.115 7.730 1.00 0.00 C ATOM 344 C ASN A 23 87.602 -12.745 6.392 1.00 0.00 C ATOM 345 O ASN A 23 88.640 -13.254 6.011 1.00 0.00 O ATOM 346 CB ASN A 23 85.819 -14.099 7.496 1.00 0.00 C ATOM 347 CG ASN A 23 85.314 -14.616 8.844 1.00 0.00 C ATOM 348 OD1 ASN A 23 86.069 -15.170 9.616 1.00 0.00 O ATOM 349 ND2 ASN A 23 84.059 -14.453 9.164 1.00 0.00 N ATOM 0 H ASN A 23 85.424 -11.863 8.490 1.00 0.00 H new ATOM 0 HA ASN A 23 87.709 -13.578 8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.010 -13.608 6.956 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.156 -14.931 6.878 1.00 0.00 H new ATOM 0 HD21 ASN A 23 83.714 -14.791 10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 23 83.424 -13.987 8.516 1.00 0.00 H new ATOM 356 N LEU A 24 86.977 -11.847 5.678 1.00 0.00 N ATOM 357 CA LEU A 24 87.526 -11.417 4.369 1.00 0.00 C ATOM 358 C LEU A 24 88.741 -10.526 4.610 1.00 0.00 C ATOM 359 O LEU A 24 89.668 -10.513 3.834 1.00 0.00 O ATOM 360 CB LEU A 24 86.465 -10.636 3.589 1.00 0.00 C ATOM 361 CG LEU A 24 85.356 -11.590 3.147 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.267 -10.807 2.413 1.00 0.00 C ATOM 363 CD2 LEU A 24 85.938 -12.636 2.202 1.00 0.00 C ATOM 0 H LEU A 24 86.105 -11.393 5.951 1.00 0.00 H new ATOM 0 HA LEU A 24 87.817 -12.294 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.051 -9.843 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 24 86.916 -10.157 2.720 1.00 0.00 H new ATOM 0 HG LEU A 24 84.929 -12.077 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.477 -11.489 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 24 83.850 -10.052 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.696 -10.321 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.150 -13.318 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.363 -12.141 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 24 86.718 -13.197 2.716 1.00 0.00 H new ATOM 375 N LEU A 25 88.745 -9.786 5.687 1.00 0.00 N ATOM 376 CA LEU A 25 89.910 -8.905 5.977 1.00 0.00 C ATOM 377 C LEU A 25 90.924 -9.702 6.795 1.00 0.00 C ATOM 378 O LEU A 25 92.048 -9.284 6.996 1.00 0.00 O ATOM 379 CB LEU A 25 89.446 -7.699 6.799 1.00 0.00 C ATOM 380 CG LEU A 25 88.569 -6.777 5.944 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.523 -6.104 6.837 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.430 -5.691 5.286 1.00 0.00 C ATOM 0 H LEU A 25 87.993 -9.755 6.376 1.00 0.00 H new ATOM 0 HA LEU A 25 90.357 -8.559 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.887 -8.038 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.311 -7.149 7.169 1.00 0.00 H new ATOM 0 HG LEU A 25 88.080 -7.370 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.897 -5.447 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.901 -6.866 7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.025 -5.519 7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.797 -5.042 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.923 -5.100 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.182 -6.158 4.651 1.00 0.00 H new ATOM 394 N ARG A 26 90.533 -10.859 7.254 1.00 0.00 N ATOM 395 CA ARG A 26 91.463 -11.707 8.043 1.00 0.00 C ATOM 396 C ARG A 26 92.245 -12.601 7.079 1.00 0.00 C ATOM 397 O ARG A 26 91.673 -13.381 6.343 1.00 0.00 O ATOM 398 CB ARG A 26 90.669 -12.570 9.040 1.00 0.00 C ATOM 399 CG ARG A 26 90.502 -11.825 10.370 1.00 0.00 C ATOM 400 CD ARG A 26 89.738 -12.713 11.363 1.00 0.00 C ATOM 401 NE ARG A 26 89.540 -11.976 12.648 1.00 0.00 N ATOM 402 CZ ARG A 26 88.677 -12.413 13.534 1.00 0.00 C ATOM 403 NH1 ARG A 26 88.034 -13.530 13.329 1.00 0.00 N ATOM 404 NH2 ARG A 26 88.476 -11.738 14.637 1.00 0.00 N ATOM 0 H ARG A 26 89.603 -11.254 7.114 1.00 0.00 H new ATOM 0 HA ARG A 26 92.153 -11.078 8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 26 89.691 -12.811 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.186 -13.515 9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.479 -11.563 10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 26 89.962 -10.892 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 26 88.773 -12.998 10.943 1.00 0.00 H new ATOM 0 HD3 ARG A 26 90.292 -13.634 11.543 1.00 0.00 H new ATOM 0 HE ARG A 26 90.078 -11.130 12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 26 88.202 -14.066 12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 26 87.364 -13.867 14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 26 88.990 -10.873 14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 26 87.805 -12.076 15.327 1.00 0.00 H new ATOM 418 N GLY A 27 93.546 -12.489 7.072 1.00 0.00 N ATOM 419 CA GLY A 27 94.370 -13.327 6.151 1.00 0.00 C ATOM 420 C GLY A 27 94.716 -12.522 4.897 1.00 0.00 C ATOM 421 O GLY A 27 95.463 -12.968 4.048 1.00 0.00 O ATOM 0 H GLY A 27 94.076 -11.851 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.283 -13.647 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 27 93.823 -14.229 5.877 1.00 0.00 H new ATOM 425 N LYS A 28 94.186 -11.338 4.779 1.00 0.00 N ATOM 426 CA LYS A 28 94.487 -10.505 3.593 1.00 0.00 C ATOM 427 C LYS A 28 95.758 -9.699 3.843 1.00 0.00 C ATOM 428 O LYS A 28 96.091 -9.366 4.961 1.00 0.00 O ATOM 429 CB LYS A 28 93.322 -9.551 3.329 1.00 0.00 C ATOM 430 CG LYS A 28 92.086 -10.339 2.895 1.00 0.00 C ATOM 431 CD LYS A 28 92.397 -11.139 1.629 1.00 0.00 C ATOM 432 CE LYS A 28 91.222 -11.044 0.661 1.00 0.00 C ATOM 433 NZ LYS A 28 91.573 -11.772 -0.588 1.00 0.00 N ATOM 0 H LYS A 28 93.555 -10.913 5.458 1.00 0.00 H new ATOM 0 HA LYS A 28 94.632 -11.150 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.100 -8.978 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.597 -8.835 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.774 -11.012 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.256 -9.657 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.302 -10.755 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.588 -12.182 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.327 -11.474 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.998 -10.000 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.779 -11.715 -1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.418 -11.341 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.767 -12.769 -0.366 1.00 0.00 H new ATOM 447 N ARG A 29 96.469 -9.397 2.799 1.00 0.00 N ATOM 448 CA ARG A 29 97.737 -8.621 2.935 1.00 0.00 C ATOM 449 C ARG A 29 97.440 -7.118 3.021 1.00 0.00 C ATOM 450 O ARG A 29 96.430 -6.644 2.535 1.00 0.00 O ATOM 451 CB ARG A 29 98.616 -8.889 1.713 1.00 0.00 C ATOM 452 CG ARG A 29 98.958 -10.379 1.640 1.00 0.00 C ATOM 453 CD ARG A 29 99.871 -10.761 2.805 1.00 0.00 C ATOM 454 NE ARG A 29 100.638 -11.992 2.439 1.00 0.00 N ATOM 455 CZ ARG A 29 100.025 -13.052 1.994 1.00 0.00 C ATOM 456 NH1 ARG A 29 98.724 -13.128 2.048 1.00 0.00 N ATOM 457 NH2 ARG A 29 100.720 -14.056 1.533 1.00 0.00 N ATOM 0 H ARG A 29 96.226 -9.656 1.843 1.00 0.00 H new ATOM 0 HA ARG A 29 98.248 -8.932 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.097 -8.580 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.530 -8.299 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 29 98.044 -10.973 1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 29 99.449 -10.602 0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.556 -9.944 3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 29 99.280 -10.939 3.704 1.00 0.00 H new ATOM 0 HE ARG A 29 101.653 -12.002 2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 29 98.184 -12.356 2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 29 98.247 -13.959 1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 29 101.739 -14.009 1.522 1.00 0.00 H new ATOM 0 HH22 ARG A 29 100.244 -14.888 1.184 1.00 0.00 H new ATOM 471 N ASP A 30 98.324 -6.366 3.625 1.00 0.00 N ATOM 472 CA ASP A 30 98.109 -4.891 3.734 1.00 0.00 C ATOM 473 C ASP A 30 97.890 -4.323 2.329 1.00 0.00 C ATOM 474 O ASP A 30 98.536 -4.727 1.380 1.00 0.00 O ATOM 475 CB ASP A 30 99.346 -4.243 4.368 1.00 0.00 C ATOM 476 CG ASP A 30 99.049 -2.778 4.704 1.00 0.00 C ATOM 477 OD1 ASP A 30 97.983 -2.310 4.339 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.894 -2.151 5.322 1.00 0.00 O ATOM 0 H ASP A 30 99.186 -6.710 4.048 1.00 0.00 H new ATOM 0 HA ASP A 30 97.239 -4.682 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.628 -4.783 5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 30 100.192 -4.304 3.683 1.00 0.00 H new ATOM 483 N GLY A 31 96.978 -3.404 2.183 1.00 0.00 N ATOM 484 CA GLY A 31 96.714 -2.829 0.832 1.00 0.00 C ATOM 485 C GLY A 31 95.439 -3.456 0.271 1.00 0.00 C ATOM 486 O GLY A 31 94.853 -2.958 -0.670 1.00 0.00 O ATOM 0 H GLY A 31 96.405 -3.026 2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.605 -1.746 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.555 -3.025 0.167 1.00 0.00 H new ATOM 490 N THR A 32 94.997 -4.540 0.852 1.00 0.00 N ATOM 491 CA THR A 32 93.750 -5.190 0.361 1.00 0.00 C ATOM 492 C THR A 32 92.551 -4.580 1.078 1.00 0.00 C ATOM 493 O THR A 32 92.463 -4.614 2.289 1.00 0.00 O ATOM 494 CB THR A 32 93.793 -6.689 0.660 1.00 0.00 C ATOM 495 OG1 THR A 32 94.985 -7.250 0.134 1.00 0.00 O ATOM 496 CG2 THR A 32 92.581 -7.373 0.023 1.00 0.00 C ATOM 0 H THR A 32 95.445 -5.001 1.643 1.00 0.00 H new ATOM 0 HA THR A 32 93.665 -5.035 -0.715 1.00 0.00 H new ATOM 0 HB THR A 32 93.771 -6.840 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.839 -7.512 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.612 -8.441 0.236 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.665 -6.948 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.601 -7.218 -1.056 1.00 0.00 H new ATOM 504 N PHE A 33 91.620 -4.022 0.351 1.00 0.00 N ATOM 505 CA PHE A 33 90.439 -3.422 1.026 1.00 0.00 C ATOM 506 C PHE A 33 89.157 -3.751 0.266 1.00 0.00 C ATOM 507 O PHE A 33 89.185 -4.235 -0.847 1.00 0.00 O ATOM 508 CB PHE A 33 90.616 -1.906 1.127 1.00 0.00 C ATOM 509 CG PHE A 33 89.851 -1.193 0.042 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.371 -1.079 -1.250 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.617 -0.621 0.351 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.640 -0.393 -2.229 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.894 0.060 -0.630 1.00 0.00 C ATOM 514 CZ PHE A 33 88.404 0.173 -1.915 1.00 0.00 C ATOM 0 H PHE A 33 91.627 -3.957 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 33 90.360 -3.843 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.274 -1.562 2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.674 -1.655 1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 33 91.329 -1.516 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.220 -0.705 1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 33 90.035 -0.302 -3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.937 0.499 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.844 0.700 -2.673 1.00 0.00 H new ATOM 524 N LEU A 34 88.029 -3.505 0.876 1.00 0.00 N ATOM 525 CA LEU A 34 86.737 -3.815 0.201 1.00 0.00 C ATOM 526 C LEU A 34 85.685 -2.754 0.543 1.00 0.00 C ATOM 527 O LEU A 34 85.762 -2.090 1.558 1.00 0.00 O ATOM 528 CB LEU A 34 86.249 -5.195 0.659 1.00 0.00 C ATOM 529 CG LEU A 34 85.924 -5.181 2.159 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.543 -5.801 2.385 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.968 -6.011 2.918 1.00 0.00 C ATOM 0 H LEU A 34 87.947 -3.104 1.810 1.00 0.00 H new ATOM 0 HA LEU A 34 86.889 -3.815 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.363 -5.480 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 34 87.014 -5.944 0.454 1.00 0.00 H new ATOM 0 HG LEU A 34 85.935 -4.152 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.310 -5.792 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.792 -5.224 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.542 -6.829 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.737 -6.001 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.952 -7.038 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.958 -5.585 2.758 1.00 0.00 H new ATOM 543 N VAL A 35 84.696 -2.598 -0.297 1.00 0.00 N ATOM 544 CA VAL A 35 83.630 -1.594 -0.027 1.00 0.00 C ATOM 545 C VAL A 35 82.341 -2.332 0.358 1.00 0.00 C ATOM 546 O VAL A 35 81.856 -3.182 -0.363 1.00 0.00 O ATOM 547 CB VAL A 35 83.397 -0.741 -1.284 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.119 0.078 -1.119 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.581 0.212 -1.481 1.00 0.00 C ATOM 0 H VAL A 35 84.582 -3.126 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 35 83.931 -0.939 0.790 1.00 0.00 H new ATOM 0 HB VAL A 35 83.302 -1.396 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.956 0.682 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.272 -0.594 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.215 0.731 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.416 0.817 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.672 0.863 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.498 -0.366 -1.599 1.00 0.00 H new ATOM 559 N ARG A 36 81.792 -2.018 1.502 1.00 0.00 N ATOM 560 CA ARG A 36 80.544 -2.698 1.954 1.00 0.00 C ATOM 561 C ARG A 36 79.611 -1.660 2.581 1.00 0.00 C ATOM 562 O ARG A 36 79.942 -0.494 2.666 1.00 0.00 O ATOM 563 CB ARG A 36 80.897 -3.780 2.982 1.00 0.00 C ATOM 564 CG ARG A 36 81.760 -3.174 4.092 1.00 0.00 C ATOM 565 CD ARG A 36 80.877 -2.729 5.256 1.00 0.00 C ATOM 566 NE ARG A 36 80.147 -3.896 5.811 1.00 0.00 N ATOM 567 CZ ARG A 36 79.608 -3.810 6.991 1.00 0.00 C ATOM 568 NH1 ARG A 36 79.694 -2.690 7.660 1.00 0.00 N ATOM 569 NH2 ARG A 36 78.983 -4.835 7.496 1.00 0.00 N ATOM 0 H ARG A 36 82.157 -1.316 2.146 1.00 0.00 H new ATOM 0 HA ARG A 36 80.045 -3.166 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.987 -4.203 3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.432 -4.596 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.490 -3.906 4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 36 82.321 -2.324 3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 36 81.488 -2.269 6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 36 80.168 -1.973 4.918 1.00 0.00 H new ATOM 0 HE ARG A 36 80.069 -4.758 5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 36 80.182 -1.891 7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 36 79.273 -2.616 8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 36 78.917 -5.704 6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 36 78.560 -4.769 8.422 1.00 0.00 H new ATOM 583 N GLU A 37 78.445 -2.060 3.022 1.00 0.00 N ATOM 584 CA GLU A 37 77.519 -1.077 3.639 1.00 0.00 C ATOM 585 C GLU A 37 77.631 -1.186 5.154 1.00 0.00 C ATOM 586 O GLU A 37 78.124 -2.167 5.675 1.00 0.00 O ATOM 587 CB GLU A 37 76.081 -1.390 3.195 1.00 0.00 C ATOM 588 CG GLU A 37 75.084 -0.743 4.149 1.00 0.00 C ATOM 589 CD GLU A 37 73.688 -0.812 3.537 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.439 -0.080 2.593 1.00 0.00 O ATOM 591 OE2 GLU A 37 72.889 -1.595 4.025 1.00 0.00 O ATOM 0 H GLU A 37 78.101 -3.019 2.980 1.00 0.00 H new ATOM 0 HA GLU A 37 77.776 -0.065 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.917 -1.023 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.926 -2.469 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.098 -1.255 5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.362 0.294 4.336 1.00 0.00 H new ATOM 677 N TYR A 44 77.460 3.389 3.700 1.00 0.00 N ATOM 678 CA TYR A 44 78.635 2.856 2.948 1.00 0.00 C ATOM 679 C TYR A 44 79.876 2.841 3.844 1.00 0.00 C ATOM 680 O TYR A 44 80.018 3.639 4.747 1.00 0.00 O ATOM 681 CB TYR A 44 78.911 3.731 1.721 1.00 0.00 C ATOM 682 CG TYR A 44 77.780 3.590 0.726 1.00 0.00 C ATOM 683 CD1 TYR A 44 77.824 2.585 -0.249 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.688 4.466 0.779 1.00 0.00 C ATOM 685 CE1 TYR A 44 76.777 2.455 -1.170 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.640 4.334 -0.144 1.00 0.00 C ATOM 687 CZ TYR A 44 75.685 3.329 -1.118 1.00 0.00 C ATOM 688 OH TYR A 44 74.653 3.199 -2.025 1.00 0.00 O ATOM 0 HA TYR A 44 78.409 1.839 2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 44 79.015 4.773 2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.853 3.438 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 44 78.666 1.910 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 44 76.653 5.242 1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 44 76.812 1.680 -1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 44 74.797 5.008 -0.103 1.00 0.00 H new ATOM 0 HH TYR A 44 73.975 3.884 -1.849 1.00 0.00 H new ATOM 698 N ALA A 45 80.780 1.939 3.600 1.00 0.00 N ATOM 699 CA ALA A 45 82.008 1.881 4.435 1.00 0.00 C ATOM 700 C ALA A 45 83.120 1.165 3.660 1.00 0.00 C ATOM 701 O ALA A 45 82.900 0.135 3.055 1.00 0.00 O ATOM 702 CB ALA A 45 81.705 1.114 5.725 1.00 0.00 C ATOM 0 H ALA A 45 80.723 1.240 2.860 1.00 0.00 H new ATOM 0 HA ALA A 45 82.333 2.892 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.603 1.069 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.914 1.624 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.382 0.102 5.479 1.00 0.00 H new ATOM 708 N CYS A 46 84.320 1.686 3.690 1.00 0.00 N ATOM 709 CA CYS A 46 85.438 1.001 2.972 1.00 0.00 C ATOM 710 C CYS A 46 86.351 0.387 4.030 1.00 0.00 C ATOM 711 O CYS A 46 86.921 1.078 4.849 1.00 0.00 O ATOM 712 CB CYS A 46 86.233 1.994 2.108 1.00 0.00 C ATOM 713 SG CYS A 46 85.118 2.772 0.914 1.00 0.00 S ATOM 0 H CYS A 46 84.573 2.547 4.175 1.00 0.00 H new ATOM 0 HA CYS A 46 85.038 0.237 2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.696 2.753 2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 46 87.039 1.477 1.587 1.00 0.00 H new ATOM 0 HG CYS A 46 85.785 3.614 0.182 1.00 0.00 H new ATOM 719 N SER A 47 86.479 -0.903 4.044 1.00 0.00 N ATOM 720 CA SER A 47 87.336 -1.539 5.078 1.00 0.00 C ATOM 721 C SER A 47 88.678 -1.932 4.464 1.00 0.00 C ATOM 722 O SER A 47 88.738 -2.507 3.394 1.00 0.00 O ATOM 723 CB SER A 47 86.623 -2.780 5.620 1.00 0.00 C ATOM 724 OG SER A 47 85.456 -2.375 6.326 1.00 0.00 O ATOM 0 H SER A 47 86.031 -1.544 3.389 1.00 0.00 H new ATOM 0 HA SER A 47 87.516 -0.838 5.893 1.00 0.00 H new ATOM 0 HB2 SER A 47 86.354 -3.447 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 47 87.288 -3.337 6.280 1.00 0.00 H new ATOM 0 HG SER A 47 85.536 -2.635 7.267 1.00 0.00 H new ATOM 730 N VAL A 48 89.757 -1.629 5.132 1.00 0.00 N ATOM 731 CA VAL A 48 91.094 -1.985 4.583 1.00 0.00 C ATOM 732 C VAL A 48 91.908 -2.709 5.647 1.00 0.00 C ATOM 733 O VAL A 48 91.645 -2.608 6.829 1.00 0.00 O ATOM 734 CB VAL A 48 91.847 -0.714 4.173 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.762 0.312 5.305 1.00 0.00 C ATOM 736 CG2 VAL A 48 93.317 -1.059 3.910 1.00 0.00 C ATOM 0 H VAL A 48 89.770 -1.151 6.033 1.00 0.00 H new ATOM 0 HA VAL A 48 90.956 -2.629 3.714 1.00 0.00 H new ATOM 0 HB VAL A 48 91.401 -0.299 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.297 1.217 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 48 90.717 0.554 5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.212 -0.103 6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.856 -0.158 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.762 -1.470 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 48 93.380 -1.795 3.108 1.00 0.00 H new ATOM 746 N VAL A 49 92.911 -3.422 5.235 1.00 0.00 N ATOM 747 CA VAL A 49 93.765 -4.138 6.221 1.00 0.00 C ATOM 748 C VAL A 49 95.118 -3.436 6.289 1.00 0.00 C ATOM 749 O VAL A 49 95.680 -3.070 5.279 1.00 0.00 O ATOM 750 CB VAL A 49 93.972 -5.587 5.791 1.00 0.00 C ATOM 751 CG1 VAL A 49 95.054 -6.223 6.666 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.664 -6.365 5.952 1.00 0.00 C ATOM 0 H VAL A 49 93.179 -3.542 4.258 1.00 0.00 H new ATOM 0 HA VAL A 49 93.279 -4.129 7.197 1.00 0.00 H new ATOM 0 HB VAL A 49 94.281 -5.615 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.205 -7.259 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.987 -5.671 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.742 -6.193 7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.816 -7.399 5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.352 -6.339 6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.892 -5.911 5.331 1.00 0.00 H new ATOM 762 N VAL A 50 95.649 -3.241 7.463 1.00 0.00 N ATOM 763 CA VAL A 50 96.967 -2.557 7.559 1.00 0.00 C ATOM 764 C VAL A 50 97.972 -3.460 8.263 1.00 0.00 C ATOM 765 O VAL A 50 97.619 -4.276 9.089 1.00 0.00 O ATOM 766 CB VAL A 50 96.814 -1.253 8.341 1.00 0.00 C ATOM 767 CG1 VAL A 50 98.195 -0.635 8.593 1.00 0.00 C ATOM 768 CG2 VAL A 50 95.964 -0.286 7.520 1.00 0.00 C ATOM 0 H VAL A 50 95.233 -3.522 8.351 1.00 0.00 H new ATOM 0 HA VAL A 50 97.327 -2.337 6.554 1.00 0.00 H new ATOM 0 HB VAL A 50 96.334 -1.451 9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 50 98.081 0.295 9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 50 98.806 -1.331 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.681 -0.429 7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 50 95.847 0.650 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 50 96.454 -0.090 6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 50 94.983 -0.726 7.340 1.00 0.00 H new ATOM 778 N ASP A 51 99.225 -3.304 7.942 1.00 0.00 N ATOM 779 CA ASP A 51 100.282 -4.137 8.576 1.00 0.00 C ATOM 780 C ASP A 51 100.094 -4.104 10.076 1.00 0.00 C ATOM 781 O ASP A 51 100.646 -4.897 10.813 1.00 0.00 O ATOM 782 CB ASP A 51 101.656 -3.565 8.237 1.00 0.00 C ATOM 783 CG ASP A 51 102.737 -4.531 8.721 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.724 -5.670 8.285 1.00 0.00 O ATOM 785 OD2 ASP A 51 103.555 -4.118 9.523 1.00 0.00 O ATOM 0 H ASP A 51 99.565 -2.627 7.259 1.00 0.00 H new ATOM 0 HA ASP A 51 100.212 -5.161 8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.744 -3.412 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.784 -2.591 8.709 1.00 0.00 H new ATOM 790 N GLY A 52 99.321 -3.180 10.523 1.00 0.00 N ATOM 791 CA GLY A 52 99.075 -3.054 11.977 1.00 0.00 C ATOM 792 C GLY A 52 97.801 -3.812 12.360 1.00 0.00 C ATOM 793 O GLY A 52 97.829 -4.715 13.172 1.00 0.00 O ATOM 0 H GLY A 52 98.839 -2.494 9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.925 -3.450 12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.978 -2.003 12.248 1.00 0.00 H new ATOM 797 N GLU A 53 96.679 -3.453 11.784 1.00 0.00 N ATOM 798 CA GLU A 53 95.403 -4.162 12.129 1.00 0.00 C ATOM 799 C GLU A 53 94.346 -3.903 11.061 1.00 0.00 C ATOM 800 O GLU A 53 94.551 -3.144 10.135 1.00 0.00 O ATOM 801 CB GLU A 53 94.860 -3.677 13.483 1.00 0.00 C ATOM 802 CG GLU A 53 94.544 -2.179 13.426 1.00 0.00 C ATOM 803 CD GLU A 53 93.700 -1.791 14.644 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.081 -2.673 15.215 1.00 0.00 O ATOM 805 OE2 GLU A 53 93.687 -0.618 14.984 1.00 0.00 O ATOM 0 H GLU A 53 96.590 -2.706 11.095 1.00 0.00 H new ATOM 0 HA GLU A 53 95.621 -5.229 12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 53 93.960 -4.235 13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 53 95.593 -3.871 14.266 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.468 -1.601 13.411 1.00 0.00 H new ATOM 0 HG3 GLU A 53 94.006 -1.944 12.507 1.00 0.00 H new ATOM 812 N VAL A 54 93.205 -4.517 11.203 1.00 0.00 N ATOM 813 CA VAL A 54 92.117 -4.299 10.219 1.00 0.00 C ATOM 814 C VAL A 54 91.300 -3.079 10.639 1.00 0.00 C ATOM 815 O VAL A 54 91.016 -2.879 11.804 1.00 0.00 O ATOM 816 CB VAL A 54 91.209 -5.526 10.158 1.00 0.00 C ATOM 817 CG1 VAL A 54 90.525 -5.732 11.514 1.00 0.00 C ATOM 818 CG2 VAL A 54 90.151 -5.300 9.080 1.00 0.00 C ATOM 0 H VAL A 54 92.982 -5.162 11.961 1.00 0.00 H new ATOM 0 HA VAL A 54 92.551 -4.133 9.233 1.00 0.00 H new ATOM 0 HB VAL A 54 91.799 -6.411 9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.878 -6.608 11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 54 91.282 -5.881 12.284 1.00 0.00 H new ATOM 0 HG13 VAL A 54 89.928 -4.853 11.758 1.00 0.00 H new ATOM 0 HG21 VAL A 54 89.495 -6.169 9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 54 89.563 -4.416 9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 54 90.639 -5.153 8.116 1.00 0.00 H new ATOM 828 N LYS A 55 90.923 -2.260 9.702 1.00 0.00 N ATOM 829 CA LYS A 55 90.126 -1.054 10.057 1.00 0.00 C ATOM 830 C LYS A 55 88.833 -1.026 9.233 1.00 0.00 C ATOM 831 O LYS A 55 88.711 -1.697 8.228 1.00 0.00 O ATOM 832 CB LYS A 55 90.944 0.204 9.768 1.00 0.00 C ATOM 833 CG LYS A 55 92.214 0.202 10.627 1.00 0.00 C ATOM 834 CD LYS A 55 93.439 0.049 9.724 1.00 0.00 C ATOM 835 CE LYS A 55 94.721 0.134 10.564 1.00 0.00 C ATOM 836 NZ LYS A 55 94.515 1.071 11.707 1.00 0.00 N ATOM 0 H LYS A 55 91.130 -2.371 8.709 1.00 0.00 H new ATOM 0 HA LYS A 55 89.876 -1.088 11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.208 0.243 8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.350 1.093 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.282 1.129 11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 55 92.177 -0.614 11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.399 -0.907 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.440 0.829 8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.989 -0.855 10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 55 95.550 0.477 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.438 1.350 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 94.009 1.917 11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 93.955 0.600 12.446 1.00 0.00 H new ATOM 850 N HIS A 56 87.864 -0.254 9.663 1.00 0.00 N ATOM 851 CA HIS A 56 86.566 -0.177 8.922 1.00 0.00 C ATOM 852 C HIS A 56 86.194 1.292 8.645 1.00 0.00 C ATOM 853 O HIS A 56 85.380 1.868 9.338 1.00 0.00 O ATOM 854 CB HIS A 56 85.469 -0.814 9.779 1.00 0.00 C ATOM 855 CG HIS A 56 85.816 -2.249 10.065 1.00 0.00 C ATOM 856 ND1 HIS A 56 86.024 -3.176 9.059 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.983 -2.932 11.245 1.00 0.00 C ATOM 858 CE1 HIS A 56 86.302 -4.356 9.644 1.00 0.00 C ATOM 859 NE2 HIS A 56 86.291 -4.262 10.977 1.00 0.00 N ATOM 0 H HIS A 56 87.917 0.328 10.499 1.00 0.00 H new ATOM 0 HA HIS A 56 86.664 -0.704 7.973 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.359 -0.264 10.713 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.511 -0.758 9.261 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.889 -2.502 12.231 1.00 0.00 H new ATOM 0 HE1 HIS A 56 86.509 -5.267 9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 56 86.470 -5.005 11.652 1.00 0.00 H new ATOM 867 N CYS A 57 86.768 1.903 7.632 1.00 0.00 N ATOM 868 CA CYS A 57 86.417 3.330 7.329 1.00 0.00 C ATOM 869 C CYS A 57 84.920 3.407 7.039 1.00 0.00 C ATOM 870 O CYS A 57 84.337 2.489 6.497 1.00 0.00 O ATOM 871 CB CYS A 57 87.207 3.833 6.108 1.00 0.00 C ATOM 872 SG CYS A 57 88.979 3.846 6.480 1.00 0.00 S ATOM 0 H CYS A 57 87.456 1.481 7.009 1.00 0.00 H new ATOM 0 HA CYS A 57 86.672 3.957 8.183 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.012 3.191 5.249 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.876 4.836 5.838 1.00 0.00 H new ATOM 0 HG CYS A 57 89.637 4.270 5.442 1.00 0.00 H new ATOM 878 N VAL A 58 84.279 4.477 7.424 1.00 0.00 N ATOM 879 CA VAL A 58 82.813 4.571 7.192 1.00 0.00 C ATOM 880 C VAL A 58 82.476 5.709 6.231 1.00 0.00 C ATOM 881 O VAL A 58 82.899 6.834 6.399 1.00 0.00 O ATOM 882 CB VAL A 58 82.107 4.821 8.525 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.357 6.262 8.969 1.00 0.00 C ATOM 884 CG2 VAL A 58 80.602 4.604 8.363 1.00 0.00 C ATOM 0 H VAL A 58 84.704 5.282 7.885 1.00 0.00 H new ATOM 0 HA VAL A 58 82.477 3.633 6.750 1.00 0.00 H new ATOM 0 HB VAL A 58 82.497 4.129 9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 58 81.854 6.442 9.919 1.00 0.00 H new ATOM 0 HG12 VAL A 58 83.428 6.425 9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 58 81.967 6.947 8.217 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.104 4.783 9.316 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.213 5.295 7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.415 3.579 8.043 1.00 0.00 H new ATOM 894 N ILE A 59 81.686 5.413 5.239 1.00 0.00 N ATOM 895 CA ILE A 59 81.263 6.448 4.265 1.00 0.00 C ATOM 896 C ILE A 59 79.733 6.491 4.259 1.00 0.00 C ATOM 897 O ILE A 59 79.089 5.477 4.103 1.00 0.00 O ATOM 898 CB ILE A 59 81.760 6.067 2.870 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.292 6.066 2.855 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.235 7.077 1.843 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.825 4.632 2.965 1.00 0.00 C ATOM 0 H ILE A 59 81.311 4.481 5.061 1.00 0.00 H new ATOM 0 HA ILE A 59 81.674 7.419 4.539 1.00 0.00 H new ATOM 0 HB ILE A 59 81.395 5.072 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.654 6.526 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.671 6.666 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.590 6.804 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.145 7.072 1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 59 81.596 8.074 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.915 4.647 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.478 4.186 3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.461 4.043 2.123 1.00 0.00 H new ATOM 913 N ASN A 60 79.136 7.636 4.416 1.00 0.00 N ATOM 914 CA ASN A 60 77.640 7.679 4.399 1.00 0.00 C ATOM 915 C ASN A 60 77.168 8.504 3.202 1.00 0.00 C ATOM 916 O ASN A 60 77.463 9.674 3.092 1.00 0.00 O ATOM 917 CB ASN A 60 77.106 8.309 5.694 1.00 0.00 C ATOM 918 CG ASN A 60 77.368 7.371 6.880 1.00 0.00 C ATOM 919 OD1 ASN A 60 77.332 6.167 6.732 1.00 0.00 O ATOM 920 ND2 ASN A 60 77.625 7.875 8.061 1.00 0.00 N ATOM 0 H ASN A 60 79.603 8.532 4.553 1.00 0.00 H new ATOM 0 HA ASN A 60 77.261 6.660 4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 60 77.589 9.271 5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 60 76.037 8.501 5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 60 77.794 7.256 8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 60 77.656 8.887 8.188 1.00 0.00 H new ATOM 1167 N SER A 77 82.445 11.228 -8.324 1.00 0.00 N ATOM 1168 CA SER A 77 81.778 9.895 -8.318 1.00 0.00 C ATOM 1169 C SER A 77 82.379 9.010 -7.220 1.00 0.00 C ATOM 1170 O SER A 77 83.516 9.178 -6.828 1.00 0.00 O ATOM 1171 CB SER A 77 81.967 9.236 -9.688 1.00 0.00 C ATOM 1172 OG SER A 77 81.360 10.050 -10.686 1.00 0.00 O ATOM 0 HA SER A 77 80.714 10.020 -8.117 1.00 0.00 H new ATOM 0 HB2 SER A 77 83.029 9.110 -9.901 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.521 8.242 -9.691 1.00 0.00 H new ATOM 0 HG SER A 77 81.534 10.994 -10.489 1.00 0.00 H new ATOM 1178 N LEU A 78 81.619 8.065 -6.721 1.00 0.00 N ATOM 1179 CA LEU A 78 82.142 7.173 -5.644 1.00 0.00 C ATOM 1180 C LEU A 78 83.370 6.421 -6.148 1.00 0.00 C ATOM 1181 O LEU A 78 84.307 6.181 -5.414 1.00 0.00 O ATOM 1182 CB LEU A 78 81.070 6.157 -5.245 1.00 0.00 C ATOM 1183 CG LEU A 78 79.963 6.855 -4.459 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.779 5.900 -4.303 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.488 7.239 -3.073 1.00 0.00 C ATOM 0 H LEU A 78 80.661 7.875 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 78 82.410 7.783 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.654 5.685 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.513 5.365 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 78 79.646 7.752 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 78 77.985 6.393 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.407 5.618 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.100 5.007 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.699 7.738 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 78 80.801 6.341 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.338 7.912 -3.180 1.00 0.00 H new ATOM 1197 N LYS A 79 83.374 6.046 -7.393 1.00 0.00 N ATOM 1198 CA LYS A 79 84.542 5.305 -7.935 1.00 0.00 C ATOM 1199 C LYS A 79 85.794 6.165 -7.782 1.00 0.00 C ATOM 1200 O LYS A 79 86.848 5.680 -7.422 1.00 0.00 O ATOM 1201 CB LYS A 79 84.309 5.016 -9.413 1.00 0.00 C ATOM 1202 CG LYS A 79 83.201 3.971 -9.558 1.00 0.00 C ATOM 1203 CD LYS A 79 82.893 3.749 -11.041 1.00 0.00 C ATOM 1204 CE LYS A 79 83.971 2.852 -11.659 1.00 0.00 C ATOM 1205 NZ LYS A 79 83.676 2.630 -13.105 1.00 0.00 N ATOM 0 H LYS A 79 82.621 6.220 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 79 84.670 4.368 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.031 5.932 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.228 4.654 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.510 3.033 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.304 4.303 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 79 81.912 3.287 -11.154 1.00 0.00 H new ATOM 0 HD3 LYS A 79 82.858 4.705 -11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 79 84.951 3.315 -11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 79 84.007 1.897 -11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 83.585 1.610 -13.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 82.787 3.108 -13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 84.451 3.017 -13.681 1.00 0.00 H new ATOM 1219 N GLU A 80 85.688 7.440 -8.039 1.00 0.00 N ATOM 1220 CA GLU A 80 86.880 8.318 -7.894 1.00 0.00 C ATOM 1221 C GLU A 80 87.337 8.284 -6.439 1.00 0.00 C ATOM 1222 O GLU A 80 88.514 8.335 -6.143 1.00 0.00 O ATOM 1223 CB GLU A 80 86.528 9.755 -8.294 1.00 0.00 C ATOM 1224 CG GLU A 80 86.162 9.785 -9.778 1.00 0.00 C ATOM 1225 CD GLU A 80 85.832 11.217 -10.209 1.00 0.00 C ATOM 1226 OE1 GLU A 80 86.190 12.132 -9.487 1.00 0.00 O ATOM 1227 OE2 GLU A 80 85.227 11.372 -11.259 1.00 0.00 O ATOM 0 H GLU A 80 84.833 7.908 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 80 87.679 7.963 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.694 10.119 -7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 80 87.373 10.417 -8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 80 86.990 9.399 -10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.307 9.135 -9.963 1.00 0.00 H new ATOM 1234 N LEU A 81 86.408 8.189 -5.529 1.00 0.00 N ATOM 1235 CA LEU A 81 86.776 8.148 -4.092 1.00 0.00 C ATOM 1236 C LEU A 81 87.714 6.961 -3.839 1.00 0.00 C ATOM 1237 O LEU A 81 88.696 7.080 -3.135 1.00 0.00 O ATOM 1238 CB LEU A 81 85.510 8.003 -3.244 1.00 0.00 C ATOM 1239 CG LEU A 81 85.899 7.995 -1.768 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.847 8.744 -0.949 1.00 0.00 C ATOM 1241 CD2 LEU A 81 85.992 6.550 -1.276 1.00 0.00 C ATOM 0 H LEU A 81 85.408 8.138 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 81 87.285 9.072 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.824 8.825 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.988 7.081 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 81 86.864 8.487 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 81 85.131 8.735 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.780 9.775 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.879 8.257 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.270 6.542 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.026 6.060 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.746 6.017 -1.854 1.00 0.00 H new ATOM 1253 N VAL A 82 87.433 5.821 -4.417 1.00 0.00 N ATOM 1254 CA VAL A 82 88.330 4.646 -4.211 1.00 0.00 C ATOM 1255 C VAL A 82 89.682 4.945 -4.861 1.00 0.00 C ATOM 1256 O VAL A 82 90.728 4.617 -4.337 1.00 0.00 O ATOM 1257 CB VAL A 82 87.718 3.402 -4.864 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.677 2.219 -4.693 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.376 3.084 -4.194 1.00 0.00 C ATOM 0 H VAL A 82 86.626 5.654 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 82 88.456 4.462 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 82 87.555 3.585 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.246 1.331 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.629 2.451 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.839 2.032 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.939 2.199 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.535 2.897 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.699 3.930 -4.316 1.00 0.00 H new ATOM 1269 N LEU A 83 89.662 5.568 -6.004 1.00 0.00 N ATOM 1270 CA LEU A 83 90.933 5.900 -6.701 1.00 0.00 C ATOM 1271 C LEU A 83 91.717 6.932 -5.883 1.00 0.00 C ATOM 1272 O LEU A 83 92.923 6.849 -5.751 1.00 0.00 O ATOM 1273 CB LEU A 83 90.599 6.503 -8.063 1.00 0.00 C ATOM 1274 CG LEU A 83 89.998 5.432 -8.971 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.521 6.087 -10.270 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.061 4.372 -9.281 1.00 0.00 C ATOM 0 H LEU A 83 88.814 5.863 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 83 91.533 4.998 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.896 7.327 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.499 6.916 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 83 89.153 4.955 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 83 89.091 5.328 -10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.766 6.840 -10.042 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.366 6.560 -10.771 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.634 3.607 -9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 83 91.907 4.841 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.399 3.913 -8.352 1.00 0.00 H new ATOM 1288 N HIS A 84 91.036 7.912 -5.346 1.00 0.00 N ATOM 1289 CA HIS A 84 91.732 8.967 -4.549 1.00 0.00 C ATOM 1290 C HIS A 84 92.442 8.343 -3.342 1.00 0.00 C ATOM 1291 O HIS A 84 93.558 8.701 -3.020 1.00 0.00 O ATOM 1292 CB HIS A 84 90.710 9.992 -4.047 1.00 0.00 C ATOM 1293 CG HIS A 84 90.200 10.839 -5.186 1.00 0.00 C ATOM 1294 ND1 HIS A 84 89.987 10.572 -6.518 1.00 0.00 N flip ATOM 1295 CD2 HIS A 84 89.797 12.155 -4.998 1.00 0.00 C flip ATOM 1296 CE1 HIS A 84 89.458 11.699 -7.144 1.00 0.00 C flip ATOM 1297 NE2 HIS A 84 89.362 12.621 -6.183 1.00 0.00 N flip ATOM 0 H HIS A 84 90.026 8.027 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 84 92.468 9.455 -5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 84 89.877 9.478 -3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 84 91.168 10.629 -3.290 1.00 0.00 H new ATOM 0 HD1 HIS A 84 90.186 9.684 -6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 84 89.827 12.705 -4.069 1.00 0.00 H new ATOM 0 HE1 HIS A 84 89.184 11.804 -8.183 1.00 0.00 H new ATOM 1305 N TYR A 85 91.814 7.422 -2.663 1.00 0.00 N ATOM 1306 CA TYR A 85 92.480 6.801 -1.480 1.00 0.00 C ATOM 1307 C TYR A 85 93.642 5.931 -1.963 1.00 0.00 C ATOM 1308 O TYR A 85 94.582 5.665 -1.237 1.00 0.00 O ATOM 1309 CB TYR A 85 91.485 5.941 -0.689 1.00 0.00 C ATOM 1310 CG TYR A 85 90.529 6.819 0.093 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.832 7.849 -0.548 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.341 6.599 1.467 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.951 8.658 0.177 1.00 0.00 C ATOM 1314 CE2 TYR A 85 89.458 7.413 2.192 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.764 8.443 1.546 1.00 0.00 C ATOM 1316 OH TYR A 85 87.900 9.250 2.256 1.00 0.00 O ATOM 0 H TYR A 85 90.878 7.075 -2.872 1.00 0.00 H new ATOM 0 HA TYR A 85 92.850 7.589 -0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.925 5.302 -1.372 1.00 0.00 H new ATOM 0 HB3 TYR A 85 92.025 5.284 -0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 85 89.975 8.020 -1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 85 90.876 5.804 1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.414 9.451 -0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 85 89.314 7.245 3.249 1.00 0.00 H new ATOM 0 HH TYR A 85 87.884 8.967 3.194 1.00 0.00 H new ATOM 1326 N GLN A 86 93.581 5.488 -3.190 1.00 0.00 N ATOM 1327 CA GLN A 86 94.679 4.642 -3.740 1.00 0.00 C ATOM 1328 C GLN A 86 95.968 5.460 -3.789 1.00 0.00 C ATOM 1329 O GLN A 86 97.044 4.959 -3.525 1.00 0.00 O ATOM 1330 CB GLN A 86 94.314 4.196 -5.158 1.00 0.00 C ATOM 1331 CG GLN A 86 95.413 3.288 -5.710 1.00 0.00 C ATOM 1332 CD GLN A 86 94.969 2.701 -7.051 1.00 0.00 C ATOM 1333 OE1 GLN A 86 94.858 1.501 -7.191 1.00 0.00 O ATOM 1334 NE2 GLN A 86 94.702 3.502 -8.047 1.00 0.00 N ATOM 0 H GLN A 86 92.815 5.676 -3.837 1.00 0.00 H new ATOM 0 HA GLN A 86 94.820 3.768 -3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.361 3.666 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.189 5.066 -5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.336 3.854 -5.837 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.625 2.486 -5.003 1.00 0.00 H new ATOM 0 HE21 GLN A 86 94.795 4.511 -7.929 1.00 0.00 H new ATOM 0 HE22 GLN A 86 94.400 3.119 -8.943 1.00 0.00 H new ATOM 1343 N HIS A 87 95.866 6.721 -4.125 1.00 0.00 N ATOM 1344 CA HIS A 87 97.087 7.575 -4.192 1.00 0.00 C ATOM 1345 C HIS A 87 97.322 8.224 -2.828 1.00 0.00 C ATOM 1346 O HIS A 87 98.411 8.666 -2.520 1.00 0.00 O ATOM 1347 CB HIS A 87 96.908 8.669 -5.251 1.00 0.00 C ATOM 1348 CG HIS A 87 96.736 8.034 -6.607 1.00 0.00 C ATOM 1349 ND1 HIS A 87 95.488 7.863 -7.189 1.00 0.00 N ATOM 1350 CD2 HIS A 87 97.640 7.517 -7.503 1.00 0.00 C ATOM 1351 CE1 HIS A 87 95.674 7.265 -8.379 1.00 0.00 C ATOM 1352 NE2 HIS A 87 96.968 7.032 -8.621 1.00 0.00 N ATOM 0 H HIS A 87 94.992 7.194 -4.355 1.00 0.00 H new ATOM 0 HA HIS A 87 97.943 6.956 -4.462 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.039 9.282 -5.012 1.00 0.00 H new ATOM 0 HB3 HIS A 87 97.774 9.331 -5.255 1.00 0.00 H new ATOM 0 HD1 HIS A 87 94.592 8.140 -6.787 1.00 0.00 H new ATOM 0 HD2 HIS A 87 98.710 7.491 -7.361 1.00 0.00 H new ATOM 0 HE1 HIS A 87 94.875 7.004 -9.057 1.00 0.00 H new ATOM 1360 N THR A 88 96.306 8.282 -2.011 1.00 0.00 N ATOM 1361 CA THR A 88 96.462 8.899 -0.662 1.00 0.00 C ATOM 1362 C THR A 88 96.658 7.797 0.376 1.00 0.00 C ATOM 1363 O THR A 88 96.041 6.752 0.312 1.00 0.00 O ATOM 1364 CB THR A 88 95.210 9.705 -0.314 1.00 0.00 C ATOM 1365 OG1 THR A 88 94.955 10.643 -1.349 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.431 10.442 1.011 1.00 0.00 C ATOM 0 H THR A 88 95.372 7.928 -2.220 1.00 0.00 H new ATOM 0 HA THR A 88 97.328 9.561 -0.665 1.00 0.00 H new ATOM 0 HB THR A 88 94.356 9.035 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.451 10.208 -2.068 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.539 11.017 1.261 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.629 9.718 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.282 11.116 0.915 1.00 0.00 H new ATOM 1374 N SER A 89 97.515 8.020 1.332 1.00 0.00 N ATOM 1375 CA SER A 89 97.757 6.983 2.375 1.00 0.00 C ATOM 1376 C SER A 89 96.781 7.192 3.540 1.00 0.00 C ATOM 1377 O SER A 89 96.651 8.281 4.063 1.00 0.00 O ATOM 1378 CB SER A 89 99.197 7.106 2.873 1.00 0.00 C ATOM 1379 OG SER A 89 99.427 6.164 3.913 1.00 0.00 O ATOM 0 H SER A 89 98.059 8.876 1.437 1.00 0.00 H new ATOM 0 HA SER A 89 97.601 5.989 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.892 6.932 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.381 8.117 3.238 1.00 0.00 H new ATOM 0 HG SER A 89 100.351 6.244 4.229 1.00 0.00 H new ATOM 1385 N LEU A 90 96.089 6.157 3.942 1.00 0.00 N ATOM 1386 CA LEU A 90 95.112 6.297 5.068 1.00 0.00 C ATOM 1387 C LEU A 90 95.827 6.745 6.344 1.00 0.00 C ATOM 1388 O LEU A 90 95.215 7.288 7.241 1.00 0.00 O ATOM 1389 CB LEU A 90 94.411 4.958 5.323 1.00 0.00 C ATOM 1390 CG LEU A 90 93.315 4.771 4.278 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.969 4.579 2.914 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.460 3.542 4.612 1.00 0.00 C ATOM 0 H LEU A 90 96.157 5.222 3.541 1.00 0.00 H new ATOM 0 HA LEU A 90 94.373 7.049 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.129 4.140 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.984 4.940 6.326 1.00 0.00 H new ATOM 0 HG LEU A 90 92.671 5.650 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 90 93.197 4.444 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.567 5.457 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 90 94.611 3.698 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.683 3.423 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 90 93.091 2.653 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.998 3.675 5.590 1.00 0.00 H new ATOM 1404 N VAL A 91 97.108 6.505 6.443 1.00 0.00 N ATOM 1405 CA VAL A 91 97.867 6.900 7.672 1.00 0.00 C ATOM 1406 C VAL A 91 97.190 8.090 8.365 1.00 0.00 C ATOM 1407 O VAL A 91 97.168 8.165 9.574 1.00 0.00 O ATOM 1408 CB VAL A 91 99.296 7.290 7.276 1.00 0.00 C ATOM 1409 CG1 VAL A 91 99.268 8.561 6.429 1.00 0.00 C ATOM 1410 CG2 VAL A 91 100.131 7.542 8.534 1.00 0.00 C ATOM 0 H VAL A 91 97.667 6.049 5.722 1.00 0.00 H new ATOM 0 HA VAL A 91 97.885 6.057 8.363 1.00 0.00 H new ATOM 0 HB VAL A 91 99.739 6.477 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.285 8.835 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 91 98.679 8.385 5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 91 98.819 9.371 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 91 101.146 7.819 8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 91 99.684 8.351 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.159 6.636 9.139 1.00 0.00 H new ATOM 1420 N GLN A 92 96.655 9.013 7.603 1.00 0.00 N ATOM 1421 CA GLN A 92 95.995 10.226 8.194 1.00 0.00 C ATOM 1422 C GLN A 92 95.160 9.873 9.430 1.00 0.00 C ATOM 1423 O GLN A 92 95.064 8.734 9.834 1.00 0.00 O ATOM 1424 CB GLN A 92 95.076 10.858 7.149 1.00 0.00 C ATOM 1425 CG GLN A 92 95.903 11.264 5.926 1.00 0.00 C ATOM 1426 CD GLN A 92 95.004 11.971 4.910 1.00 0.00 C ATOM 1427 OE1 GLN A 92 95.150 13.150 4.669 1.00 0.00 O ATOM 1428 NE2 GLN A 92 94.080 11.287 4.297 1.00 0.00 N ATOM 0 H GLN A 92 96.646 8.979 6.584 1.00 0.00 H new ATOM 0 HA GLN A 92 96.780 10.920 8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 92 94.298 10.152 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 92 94.575 11.730 7.569 1.00 0.00 H new ATOM 0 HG2 GLN A 92 96.717 11.923 6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 92 96.358 10.383 5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 92 93.959 10.295 4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 92 93.477 11.743 3.612 1.00 0.00 H new ATOM 1437 N HIS A 93 94.555 10.870 10.028 1.00 0.00 N ATOM 1438 CA HIS A 93 93.717 10.642 11.242 1.00 0.00 C ATOM 1439 C HIS A 93 94.576 10.060 12.369 1.00 0.00 C ATOM 1440 O HIS A 93 95.398 10.736 12.954 1.00 0.00 O ATOM 1441 CB HIS A 93 92.584 9.659 10.925 1.00 0.00 C ATOM 1442 CG HIS A 93 91.594 10.284 9.978 1.00 0.00 C ATOM 1443 ND1 HIS A 93 90.467 10.956 10.427 1.00 0.00 N ATOM 1444 CD2 HIS A 93 91.526 10.317 8.606 1.00 0.00 C ATOM 1445 CE1 HIS A 93 89.775 11.357 9.345 1.00 0.00 C ATOM 1446 NE2 HIS A 93 90.378 10.996 8.211 1.00 0.00 N ATOM 0 H HIS A 93 94.608 11.842 9.722 1.00 0.00 H new ATOM 0 HA HIS A 93 93.296 11.597 11.555 1.00 0.00 H new ATOM 0 HB2 HIS A 93 92.995 8.751 10.484 1.00 0.00 H new ATOM 0 HB3 HIS A 93 92.080 9.366 11.846 1.00 0.00 H new ATOM 0 HD2 HIS A 93 92.253 9.882 7.936 1.00 0.00 H new ATOM 0 HE1 HIS A 93 88.845 11.904 9.389 1.00 0.00 H new ATOM 0 HE2 HIS A 93 90.064 11.179 7.258 1.00 0.00 H new ATOM 1454 N ASN A 94 94.377 8.806 12.680 1.00 0.00 N ATOM 1455 CA ASN A 94 95.160 8.161 13.776 1.00 0.00 C ATOM 1456 C ASN A 94 96.658 8.190 13.450 1.00 0.00 C ATOM 1457 O ASN A 94 97.481 7.802 14.257 1.00 0.00 O ATOM 1458 CB ASN A 94 94.689 6.713 13.949 1.00 0.00 C ATOM 1459 CG ASN A 94 93.284 6.706 14.562 1.00 0.00 C ATOM 1460 OD1 ASN A 94 92.870 7.676 15.164 1.00 0.00 O ATOM 1461 ND2 ASN A 94 92.526 5.651 14.429 1.00 0.00 N ATOM 0 H ASN A 94 93.701 8.197 12.219 1.00 0.00 H new ATOM 0 HA ASN A 94 94.998 8.711 14.703 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.680 6.204 12.985 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.381 6.168 14.591 1.00 0.00 H new ATOM 0 HD21 ASN A 94 91.588 5.643 14.830 1.00 0.00 H new ATOM 0 HD22 ASN A 94 92.872 4.835 13.924 1.00 0.00 H new ATOM 1468 N ASP A 95 97.028 8.640 12.284 1.00 0.00 N ATOM 1469 CA ASP A 95 98.477 8.682 11.941 1.00 0.00 C ATOM 1470 C ASP A 95 99.063 7.276 12.069 1.00 0.00 C ATOM 1471 O ASP A 95 100.233 7.107 12.351 1.00 0.00 O ATOM 1472 CB ASP A 95 99.202 9.623 12.906 1.00 0.00 C ATOM 1473 CG ASP A 95 100.652 9.802 12.452 1.00 0.00 C ATOM 1474 OD1 ASP A 95 101.039 9.143 11.500 1.00 0.00 O ATOM 1475 OD2 ASP A 95 101.351 10.591 13.063 1.00 0.00 O ATOM 0 H ASP A 95 96.396 8.978 11.559 1.00 0.00 H new ATOM 0 HA ASP A 95 98.602 9.042 10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 95 98.698 10.589 12.937 1.00 0.00 H new ATOM 0 HB3 ASP A 95 99.174 9.216 13.917 1.00 0.00 H new ATOM 1480 N SER A 96 98.263 6.261 11.869 1.00 0.00 N ATOM 1481 CA SER A 96 98.797 4.876 11.985 1.00 0.00 C ATOM 1482 C SER A 96 98.148 3.967 10.938 1.00 0.00 C ATOM 1483 O SER A 96 98.279 2.758 10.988 1.00 0.00 O ATOM 1484 CB SER A 96 98.530 4.334 13.395 1.00 0.00 C ATOM 1485 OG SER A 96 97.130 4.317 13.639 1.00 0.00 O ATOM 0 H SER A 96 97.273 6.332 11.633 1.00 0.00 H new ATOM 0 HA SER A 96 99.872 4.895 11.808 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.939 3.329 13.493 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.032 4.956 14.136 1.00 0.00 H new ATOM 0 HG SER A 96 96.959 3.969 14.539 1.00 0.00 H new ATOM 1491 N LEU A 97 97.472 4.528 9.973 1.00 0.00 N ATOM 1492 CA LEU A 97 96.850 3.675 8.921 1.00 0.00 C ATOM 1493 C LEU A 97 97.738 3.730 7.687 1.00 0.00 C ATOM 1494 O LEU A 97 97.393 4.314 6.681 1.00 0.00 O ATOM 1495 CB LEU A 97 95.453 4.194 8.580 1.00 0.00 C ATOM 1496 CG LEU A 97 94.488 3.852 9.719 1.00 0.00 C ATOM 1497 CD1 LEU A 97 94.762 4.746 10.930 1.00 0.00 C ATOM 1498 CD2 LEU A 97 93.044 4.046 9.241 1.00 0.00 C ATOM 0 H LEU A 97 97.324 5.532 9.868 1.00 0.00 H new ATOM 0 HA LEU A 97 96.756 2.649 9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.482 5.273 8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.105 3.748 7.648 1.00 0.00 H new ATOM 0 HG LEU A 97 94.635 2.813 10.013 1.00 0.00 H new ATOM 0 HD11 LEU A 97 94.070 4.493 11.733 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.786 4.592 11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 97 94.626 5.790 10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 97 92.357 3.803 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 97 92.897 5.083 8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 97 92.851 3.390 8.392 1.00 0.00 H new ATOM 1510 N ASN A 98 98.891 3.133 7.762 1.00 0.00 N ATOM 1511 CA ASN A 98 99.820 3.174 6.604 1.00 0.00 C ATOM 1512 C ASN A 98 99.387 2.164 5.549 1.00 0.00 C ATOM 1513 O ASN A 98 99.843 1.038 5.518 1.00 0.00 O ATOM 1514 CB ASN A 98 101.230 2.853 7.088 1.00 0.00 C ATOM 1515 CG ASN A 98 102.227 3.121 5.959 1.00 0.00 C ATOM 1516 OD1 ASN A 98 102.983 2.248 5.580 1.00 0.00 O ATOM 1517 ND2 ASN A 98 102.253 4.298 5.397 1.00 0.00 N ATOM 0 H ASN A 98 99.230 2.619 8.575 1.00 0.00 H new ATOM 0 HA ASN A 98 99.804 4.168 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.476 3.463 7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.290 1.811 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 98 102.908 4.487 4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 98 101.618 5.030 5.716 1.00 0.00 H new ATOM 1524 N VAL A 99 98.514 2.577 4.670 1.00 0.00 N ATOM 1525 CA VAL A 99 98.043 1.668 3.593 1.00 0.00 C ATOM 1526 C VAL A 99 97.384 2.495 2.492 1.00 0.00 C ATOM 1527 O VAL A 99 96.980 3.624 2.696 1.00 0.00 O ATOM 1528 CB VAL A 99 97.022 0.669 4.153 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.797 1.425 4.672 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.592 -0.305 3.048 1.00 0.00 C ATOM 0 H VAL A 99 98.106 3.512 4.654 1.00 0.00 H new ATOM 0 HA VAL A 99 98.895 1.120 3.191 1.00 0.00 H new ATOM 0 HB VAL A 99 97.477 0.110 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.072 0.714 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.101 2.113 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.344 1.987 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.867 -1.013 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 99 96.140 0.252 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.464 -0.847 2.681 1.00 0.00 H new ATOM 1540 N THR A 100 97.268 1.929 1.334 1.00 0.00 N ATOM 1541 CA THR A 100 96.624 2.644 0.204 1.00 0.00 C ATOM 1542 C THR A 100 95.591 1.714 -0.416 1.00 0.00 C ATOM 1543 O THR A 100 95.863 0.556 -0.662 1.00 0.00 O ATOM 1544 CB THR A 100 97.675 3.010 -0.843 1.00 0.00 C ATOM 1545 OG1 THR A 100 98.932 2.470 -0.458 1.00 0.00 O ATOM 1546 CG2 THR A 100 97.778 4.531 -0.956 1.00 0.00 C ATOM 0 H THR A 100 97.596 0.988 1.116 1.00 0.00 H new ATOM 0 HA THR A 100 96.149 3.559 0.559 1.00 0.00 H new ATOM 0 HB THR A 100 97.386 2.598 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 100 99.607 2.702 -1.129 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.528 4.790 -1.703 1.00 0.00 H new ATOM 0 HG22 THR A 100 96.813 4.940 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.067 4.949 0.008 1.00 0.00 H new ATOM 1554 N LEU A 101 94.410 2.199 -0.673 1.00 0.00 N ATOM 1555 CA LEU A 101 93.377 1.314 -1.280 1.00 0.00 C ATOM 1556 C LEU A 101 93.804 1.017 -2.714 1.00 0.00 C ATOM 1557 O LEU A 101 93.267 1.558 -3.659 1.00 0.00 O ATOM 1558 CB LEU A 101 92.030 2.036 -1.289 1.00 0.00 C ATOM 1559 CG LEU A 101 91.687 2.483 0.131 1.00 0.00 C ATOM 1560 CD1 LEU A 101 90.259 3.037 0.166 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.796 1.290 1.075 1.00 0.00 C ATOM 0 H LEU A 101 94.116 3.159 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 101 93.279 0.390 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 101 92.071 2.899 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.253 1.375 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 101 92.382 3.262 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 101 90.017 3.355 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 101 90.183 3.889 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.560 2.262 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.552 1.605 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 101 91.101 0.512 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.813 0.899 1.051 1.00 0.00 H new ATOM 1573 N ALA A 102 94.789 0.174 -2.882 1.00 0.00 N ATOM 1574 CA ALA A 102 95.275 -0.139 -4.254 1.00 0.00 C ATOM 1575 C ALA A 102 95.052 -1.615 -4.590 1.00 0.00 C ATOM 1576 O ALA A 102 95.238 -2.024 -5.719 1.00 0.00 O ATOM 1577 CB ALA A 102 96.773 0.160 -4.346 1.00 0.00 C ATOM 0 H ALA A 102 95.276 -0.310 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 102 94.717 0.476 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.129 -0.069 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.947 1.214 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.311 -0.452 -3.622 1.00 0.00 H new ATOM 1583 N TYR A 103 94.683 -2.432 -3.638 1.00 0.00 N ATOM 1584 CA TYR A 103 94.493 -3.874 -3.963 1.00 0.00 C ATOM 1585 C TYR A 103 93.054 -4.307 -3.656 1.00 0.00 C ATOM 1586 O TYR A 103 92.696 -4.531 -2.522 1.00 0.00 O ATOM 1587 CB TYR A 103 95.469 -4.710 -3.130 1.00 0.00 C ATOM 1588 CG TYR A 103 95.372 -6.158 -3.550 1.00 0.00 C ATOM 1589 CD1 TYR A 103 96.100 -6.607 -4.654 1.00 0.00 C ATOM 1590 CD2 TYR A 103 94.557 -7.052 -2.841 1.00 0.00 C ATOM 1591 CE1 TYR A 103 96.014 -7.946 -5.053 1.00 0.00 C ATOM 1592 CE2 TYR A 103 94.471 -8.391 -3.239 1.00 0.00 C ATOM 1593 CZ TYR A 103 95.200 -8.838 -4.345 1.00 0.00 C ATOM 1594 OH TYR A 103 95.112 -10.157 -4.743 1.00 0.00 O ATOM 0 H TYR A 103 94.508 -2.169 -2.668 1.00 0.00 H new ATOM 0 HA TYR A 103 94.684 -4.028 -5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 103 96.487 -4.347 -3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.237 -4.611 -2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.730 -5.921 -5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 103 93.995 -6.707 -1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 103 96.576 -8.291 -5.908 1.00 0.00 H new ATOM 0 HE2 TYR A 103 93.842 -9.078 -2.692 1.00 0.00 H new ATOM 0 HH TYR A 103 94.506 -10.640 -4.143 1.00 0.00 H new ATOM 1604 N PRO A 104 92.240 -4.449 -4.668 1.00 0.00 N ATOM 1605 CA PRO A 104 90.821 -4.888 -4.505 1.00 0.00 C ATOM 1606 C PRO A 104 90.730 -6.253 -3.809 1.00 0.00 C ATOM 1607 O PRO A 104 91.581 -7.101 -3.980 1.00 0.00 O ATOM 1608 CB PRO A 104 90.304 -4.998 -5.942 1.00 0.00 C ATOM 1609 CG PRO A 104 91.226 -4.167 -6.771 1.00 0.00 C ATOM 1610 CD PRO A 104 92.578 -4.192 -6.072 1.00 0.00 C ATOM 0 HA PRO A 104 90.248 -4.196 -3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 104 90.303 -6.035 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.278 -4.637 -6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.305 -4.567 -7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.854 -3.146 -6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.224 -4.971 -6.477 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.107 -3.246 -6.190 1.00 0.00 H new ATOM 1618 N VAL A 105 89.710 -6.475 -3.025 1.00 0.00 N ATOM 1619 CA VAL A 105 89.589 -7.791 -2.334 1.00 0.00 C ATOM 1620 C VAL A 105 89.278 -8.887 -3.365 1.00 0.00 C ATOM 1621 O VAL A 105 89.731 -10.010 -3.247 1.00 0.00 O ATOM 1622 CB VAL A 105 88.478 -7.721 -1.282 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.120 -7.581 -1.974 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.495 -9.001 -0.437 1.00 0.00 C ATOM 0 H VAL A 105 88.961 -5.809 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 105 90.529 -8.030 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 105 88.643 -6.857 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.332 -7.532 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.109 -6.670 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.951 -8.442 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.705 -8.953 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.332 -9.865 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.461 -9.096 0.060 1.00 0.00 H new ATOM 1634 N TYR A 106 88.509 -8.568 -4.380 1.00 0.00 N ATOM 1635 CA TYR A 106 88.168 -9.592 -5.418 1.00 0.00 C ATOM 1636 C TYR A 106 88.667 -9.154 -6.795 1.00 0.00 C ATOM 1637 O TYR A 106 87.916 -9.104 -7.750 1.00 0.00 O ATOM 1638 CB TYR A 106 86.655 -9.775 -5.484 1.00 0.00 C ATOM 1639 CG TYR A 106 86.172 -10.587 -4.311 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.616 -11.901 -4.138 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.260 -10.029 -3.411 1.00 0.00 C ATOM 1642 CE1 TYR A 106 86.145 -12.662 -3.061 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.792 -10.785 -2.332 1.00 0.00 C ATOM 1644 CZ TYR A 106 85.233 -12.103 -2.157 1.00 0.00 C ATOM 1645 OH TYR A 106 84.765 -12.851 -1.096 1.00 0.00 O ATOM 0 H TYR A 106 88.104 -7.645 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 106 88.651 -10.529 -5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.164 -8.802 -5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.383 -10.272 -6.415 1.00 0.00 H new ATOM 0 HD1 TYR A 106 87.322 -12.329 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 106 84.917 -9.014 -3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.485 -13.679 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.091 -10.353 -1.634 1.00 0.00 H new ATOM 0 HH TYR A 106 84.141 -12.312 -0.566 1.00 0.00 H new ATOM 1655 N ALA A 107 89.928 -8.859 -6.915 1.00 0.00 N ATOM 1656 CA ALA A 107 90.464 -8.453 -8.244 1.00 0.00 C ATOM 1657 C ALA A 107 90.387 -9.657 -9.183 1.00 0.00 C ATOM 1658 O ALA A 107 91.013 -10.673 -8.954 1.00 0.00 O ATOM 1659 CB ALA A 107 91.922 -8.019 -8.096 1.00 0.00 C ATOM 0 H ALA A 107 90.609 -8.880 -6.156 1.00 0.00 H new ATOM 0 HA ALA A 107 89.882 -7.623 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.314 -7.722 -9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.983 -7.176 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.511 -8.849 -7.706 1.00 0.00 H new