USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 613 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 Single : A 20 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.015) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -87:sc= 1.27 USER MOD Single : A 37 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.047) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.201 USER MOD Single : A 44 THR OG1 : rot -171:sc= 0.0431 USER MOD Single : A 48 HIS : no HD1:sc= -1.85 K(o=-1.9,f=-2.9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.06 K(o=-3.1,f=-5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 74 HIS : no HD1:sc= -0.315 K(o=-0.32,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.000786 X(o=-0.00079,f=-0.13) USER MOD Single : A 84 THR OG1 : rot -54:sc= 0.949 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0262 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0478) USER MOD Single : A 95 SER OG : rot 63:sc= 0.233 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -131:sc= 0 (180deg=-0.0941) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 20 -0.957 -2.914 -8.137 1.00 61.32 N ATOM 2 CA HIS A 20 -0.031 -1.859 -8.534 1.00 15.13 C ATOM 3 C HIS A 20 0.564 -1.171 -7.309 1.00 42.53 C ATOM 4 O HIS A 20 -0.093 -0.355 -6.663 1.00 30.43 O ATOM 5 CB HIS A 20 -0.743 -0.832 -9.415 1.00 12.12 C ATOM 6 CG HIS A 20 -0.511 -1.037 -10.880 1.00 54.32 C ATOM 7 ND1 HIS A 20 -1.534 -1.237 -11.783 1.00 71.41 N ATOM 8 CD2 HIS A 20 0.635 -1.069 -11.599 1.00 70.51 C ATOM 9 CE1 HIS A 20 -1.027 -1.386 -12.994 1.00 23.53 C ATOM 10 NE2 HIS A 20 0.288 -1.288 -12.910 1.00 33.35 N ATOM 0 HA HIS A 20 0.779 -2.315 -9.103 1.00 15.13 H new ATOM 0 HB2 HIS A 20 -1.814 -0.874 -9.216 1.00 12.12 H new ATOM 0 HB3 HIS A 20 -0.407 0.167 -9.138 1.00 12.12 H new ATOM 0 HD2 HIS A 20 1.636 -0.945 -11.214 1.00 70.51 H new ATOM 0 HE1 HIS A 20 -1.591 -1.559 -13.899 1.00 23.53 H new ATOM 0 HE2 HIS A 20 0.939 -1.363 -13.691 1.00 33.35 H new ATOM 18 N MET A 21 1.812 -1.505 -6.997 1.00 31.11 N ATOM 19 CA MET A 21 2.496 -0.918 -5.850 1.00 74.41 C ATOM 20 C MET A 21 3.470 0.167 -6.295 1.00 43.34 C ATOM 21 O MET A 21 3.428 1.293 -5.801 1.00 12.32 O ATOM 22 CB MET A 21 3.242 -2.000 -5.066 1.00 52.31 C ATOM 23 CG MET A 21 2.474 -2.514 -3.859 1.00 71.55 C ATOM 24 SD MET A 21 3.304 -2.149 -2.301 1.00 34.52 S ATOM 25 CE MET A 21 1.898 -1.938 -1.211 1.00 3.13 C ATOM 0 H MET A 21 2.370 -2.178 -7.522 1.00 31.11 H new ATOM 0 HA MET A 21 1.745 -0.464 -5.204 1.00 74.41 H new ATOM 0 HB2 MET A 21 3.458 -2.836 -5.732 1.00 52.31 H new ATOM 0 HB3 MET A 21 4.200 -1.601 -4.734 1.00 52.31 H new ATOM 0 HG2 MET A 21 1.479 -2.068 -3.849 1.00 71.55 H new ATOM 0 HG3 MET A 21 2.340 -3.592 -3.951 1.00 71.55 H new ATOM 0 HE1 MET A 21 2.249 -1.707 -0.205 1.00 3.13 H new ATOM 0 HE2 MET A 21 1.275 -1.121 -1.575 1.00 3.13 H new ATOM 0 HE3 MET A 21 1.314 -2.858 -1.189 1.00 3.13 H new ATOM 35 N ALA A 22 4.348 -0.179 -7.232 1.00 34.14 N ATOM 36 CA ALA A 22 5.331 0.767 -7.744 1.00 63.41 C ATOM 37 C ALA A 22 4.654 1.922 -8.473 1.00 1.31 C ATOM 38 O ALA A 22 3.552 1.775 -9.001 1.00 3.02 O ATOM 39 CB ALA A 22 6.312 0.059 -8.668 1.00 53.51 C ATOM 0 H ALA A 22 4.398 -1.108 -7.651 1.00 34.14 H new ATOM 0 HA ALA A 22 5.879 1.179 -6.896 1.00 63.41 H new ATOM 0 HB1 ALA A 22 7.041 0.777 -9.044 1.00 53.51 H new ATOM 0 HB2 ALA A 22 6.828 -0.727 -8.117 1.00 53.51 H new ATOM 0 HB3 ALA A 22 5.770 -0.380 -9.506 1.00 53.51 H new ATOM 45 N ALA A 23 5.320 3.072 -8.497 1.00 1.11 N ATOM 46 CA ALA A 23 4.783 4.252 -9.162 1.00 54.41 C ATOM 47 C ALA A 23 4.731 4.055 -10.673 1.00 40.23 C ATOM 48 O ALA A 23 5.433 3.217 -11.239 1.00 22.45 O ATOM 49 CB ALA A 23 5.615 5.478 -8.816 1.00 11.20 C ATOM 0 H ALA A 23 6.233 3.211 -8.063 1.00 1.11 H new ATOM 0 HA ALA A 23 3.764 4.406 -8.807 1.00 54.41 H new ATOM 0 HB1 ALA A 23 5.202 6.352 -9.320 1.00 11.20 H new ATOM 0 HB2 ALA A 23 5.596 5.638 -7.738 1.00 11.20 H new ATOM 0 HB3 ALA A 23 6.644 5.324 -9.142 1.00 11.20 H new ATOM 55 N PRO A 24 3.880 4.845 -11.345 1.00 72.42 N ATOM 56 CA PRO A 24 3.716 4.775 -12.800 1.00 63.13 C ATOM 57 C PRO A 24 4.941 5.294 -13.547 1.00 35.03 C ATOM 58 O PRO A 24 5.856 5.852 -12.942 1.00 70.23 O ATOM 59 CB PRO A 24 2.507 5.675 -13.065 1.00 1.41 C ATOM 60 CG PRO A 24 2.488 6.630 -11.921 1.00 71.30 C ATOM 61 CD PRO A 24 3.012 5.866 -10.736 1.00 53.31 C ATOM 0 HA PRO A 24 3.585 3.750 -13.146 1.00 63.13 H new ATOM 0 HB2 PRO A 24 2.604 6.198 -14.016 1.00 1.41 H new ATOM 0 HB3 PRO A 24 1.585 5.096 -13.113 1.00 1.41 H new ATOM 0 HG2 PRO A 24 3.109 7.501 -12.129 1.00 71.30 H new ATOM 0 HG3 PRO A 24 1.478 6.996 -11.734 1.00 71.30 H new ATOM 0 HD2 PRO A 24 3.567 6.511 -10.055 1.00 53.31 H new ATOM 0 HD3 PRO A 24 2.204 5.415 -10.160 1.00 53.31 H new ATOM 69 N GLN A 25 4.949 5.107 -14.863 1.00 21.25 N ATOM 70 CA GLN A 25 6.062 5.557 -15.690 1.00 71.44 C ATOM 71 C GLN A 25 5.906 7.028 -16.060 1.00 13.14 C ATOM 72 O GLN A 25 6.893 7.735 -16.265 1.00 74.34 O ATOM 73 CB GLN A 25 6.157 4.708 -16.959 1.00 70.42 C ATOM 74 CG GLN A 25 5.024 4.954 -17.942 1.00 72.52 C ATOM 75 CD GLN A 25 4.959 3.903 -19.033 1.00 45.14 C ATOM 76 OE1 GLN A 25 5.932 3.681 -19.756 1.00 13.43 O ATOM 77 NE2 GLN A 25 3.811 3.249 -19.159 1.00 54.20 N ATOM 0 H GLN A 25 4.198 4.648 -15.379 1.00 21.25 H new ATOM 0 HA GLN A 25 6.980 5.442 -15.113 1.00 71.44 H new ATOM 0 HB2 GLN A 25 7.107 4.913 -17.453 1.00 70.42 H new ATOM 0 HB3 GLN A 25 6.164 3.654 -16.681 1.00 70.42 H new ATOM 0 HG2 GLN A 25 4.077 4.971 -17.402 1.00 72.52 H new ATOM 0 HG3 GLN A 25 5.149 5.937 -18.397 1.00 72.52 H new ATOM 0 HE21 GLN A 25 3.030 3.465 -18.539 1.00 54.20 H new ATOM 0 HE22 GLN A 25 3.709 2.531 -19.876 1.00 54.20 H new ATOM 86 N ASP A 26 4.660 7.483 -16.142 1.00 4.20 N ATOM 87 CA ASP A 26 4.375 8.871 -16.486 1.00 13.31 C ATOM 88 C ASP A 26 4.271 9.732 -15.231 1.00 35.35 C ATOM 89 O ASP A 26 3.322 10.501 -15.069 1.00 42.12 O ATOM 90 CB ASP A 26 3.078 8.963 -17.291 1.00 74.02 C ATOM 91 CG ASP A 26 3.089 10.114 -18.278 1.00 60.20 C ATOM 92 OD1 ASP A 26 3.727 9.976 -19.343 1.00 54.22 O ATOM 93 OD2 ASP A 26 2.460 11.152 -17.986 1.00 34.24 O ATOM 0 H ASP A 26 3.832 6.911 -15.975 1.00 4.20 H new ATOM 0 HA ASP A 26 5.199 9.245 -17.094 1.00 13.31 H new ATOM 0 HB2 ASP A 26 2.921 8.028 -17.829 1.00 74.02 H new ATOM 0 HB3 ASP A 26 2.237 9.082 -16.608 1.00 74.02 H new ATOM 98 N LEU A 27 5.250 9.596 -14.344 1.00 21.04 N ATOM 99 CA LEU A 27 5.269 10.360 -13.101 1.00 53.32 C ATOM 100 C LEU A 27 6.271 11.507 -13.182 1.00 64.11 C ATOM 101 O LEU A 27 7.474 11.284 -13.322 1.00 41.24 O ATOM 102 CB LEU A 27 5.614 9.448 -11.923 1.00 61.31 C ATOM 103 CG LEU A 27 5.949 10.149 -10.606 1.00 51.33 C ATOM 104 CD1 LEU A 27 4.874 9.873 -9.566 1.00 64.01 C ATOM 105 CD2 LEU A 27 7.313 9.706 -10.098 1.00 12.04 C ATOM 0 H LEU A 27 6.042 8.964 -14.462 1.00 21.04 H new ATOM 0 HA LEU A 27 4.275 10.781 -12.947 1.00 53.32 H new ATOM 0 HB2 LEU A 27 4.772 8.777 -11.750 1.00 61.31 H new ATOM 0 HB3 LEU A 27 6.464 8.827 -12.207 1.00 61.31 H new ATOM 0 HG LEU A 27 5.983 11.223 -10.786 1.00 51.33 H new ATOM 0 HD11 LEU A 27 5.129 10.380 -8.635 1.00 64.01 H new ATOM 0 HD12 LEU A 27 3.914 10.241 -9.928 1.00 64.01 H new ATOM 0 HD13 LEU A 27 4.807 8.800 -9.388 1.00 64.01 H new ATOM 0 HD21 LEU A 27 7.535 10.215 -9.160 1.00 12.04 H new ATOM 0 HD22 LEU A 27 7.308 8.628 -9.934 1.00 12.04 H new ATOM 0 HD23 LEU A 27 8.075 9.957 -10.836 1.00 12.04 H new ATOM 117 N ASP A 28 5.769 12.733 -13.091 1.00 14.04 N ATOM 118 CA ASP A 28 6.621 13.915 -13.150 1.00 55.11 C ATOM 119 C ASP A 28 7.834 13.757 -12.239 1.00 60.23 C ATOM 120 O ASP A 28 7.711 13.318 -11.095 1.00 55.23 O ATOM 121 CB ASP A 28 5.828 15.162 -12.753 1.00 22.53 C ATOM 122 CG ASP A 28 6.248 16.389 -13.537 1.00 72.04 C ATOM 123 OD1 ASP A 28 6.257 16.321 -14.784 1.00 64.11 O ATOM 124 OD2 ASP A 28 6.568 17.417 -12.905 1.00 15.43 O ATOM 0 H ASP A 28 4.776 12.935 -12.976 1.00 14.04 H new ATOM 0 HA ASP A 28 6.972 14.028 -14.176 1.00 55.11 H new ATOM 0 HB2 ASP A 28 4.765 14.979 -12.912 1.00 22.53 H new ATOM 0 HB3 ASP A 28 5.963 15.351 -11.688 1.00 22.53 H new ATOM 129 N ILE A 29 9.005 14.115 -12.755 1.00 10.53 N ATOM 130 CA ILE A 29 10.240 14.013 -11.988 1.00 2.03 C ATOM 131 C ILE A 29 10.162 14.838 -10.707 1.00 62.43 C ATOM 132 O ILE A 29 10.909 14.601 -9.758 1.00 71.12 O ATOM 133 CB ILE A 29 11.455 14.479 -12.812 1.00 11.01 C ATOM 134 CG1 ILE A 29 12.751 14.226 -12.039 1.00 12.14 C ATOM 135 CG2 ILE A 29 11.321 15.953 -13.165 1.00 65.20 C ATOM 136 CD1 ILE A 29 12.954 12.776 -11.657 1.00 53.53 C ATOM 0 H ILE A 29 9.124 14.478 -13.701 1.00 10.53 H new ATOM 0 HA ILE A 29 10.366 12.961 -11.733 1.00 2.03 H new ATOM 0 HB ILE A 29 11.489 13.905 -13.738 1.00 11.01 H new ATOM 0 HG12 ILE A 29 13.596 14.555 -12.644 1.00 12.14 H new ATOM 0 HG13 ILE A 29 12.750 14.835 -11.135 1.00 12.14 H new ATOM 0 HG21 ILE A 29 12.187 16.268 -13.747 1.00 65.20 H new ATOM 0 HG22 ILE A 29 10.415 16.106 -13.751 1.00 65.20 H new ATOM 0 HG23 ILE A 29 11.265 16.543 -12.250 1.00 65.20 H new ATOM 0 HD11 ILE A 29 13.892 12.671 -11.112 1.00 53.53 H new ATOM 0 HD12 ILE A 29 12.129 12.447 -11.025 1.00 53.53 H new ATOM 0 HD13 ILE A 29 12.988 12.164 -12.558 1.00 53.53 H new ATOM 148 N ALA A 30 9.252 15.806 -10.688 1.00 32.40 N ATOM 149 CA ALA A 30 9.073 16.663 -9.523 1.00 21.02 C ATOM 150 C ALA A 30 8.345 15.925 -8.405 1.00 32.13 C ATOM 151 O ALA A 30 8.617 16.142 -7.224 1.00 31.12 O ATOM 152 CB ALA A 30 8.314 17.924 -9.907 1.00 50.32 C ATOM 0 H ALA A 30 8.627 16.016 -11.466 1.00 32.40 H new ATOM 0 HA ALA A 30 10.060 16.944 -9.155 1.00 21.02 H new ATOM 0 HB1 ALA A 30 8.188 18.555 -9.027 1.00 50.32 H new ATOM 0 HB2 ALA A 30 8.875 18.469 -10.667 1.00 50.32 H new ATOM 0 HB3 ALA A 30 7.335 17.653 -10.303 1.00 50.32 H new ATOM 158 N VAL A 31 7.417 15.052 -8.784 1.00 50.03 N ATOM 159 CA VAL A 31 6.649 14.281 -7.813 1.00 44.44 C ATOM 160 C VAL A 31 7.494 13.169 -7.203 1.00 63.33 C ATOM 161 O VAL A 31 7.226 12.709 -6.093 1.00 51.33 O ATOM 162 CB VAL A 31 5.392 13.664 -8.454 1.00 64.24 C ATOM 163 CG1 VAL A 31 4.685 12.747 -7.468 1.00 1.31 C ATOM 164 CG2 VAL A 31 4.455 14.756 -8.947 1.00 33.22 C ATOM 0 H VAL A 31 7.179 14.861 -9.757 1.00 50.03 H new ATOM 0 HA VAL A 31 6.344 14.973 -7.028 1.00 44.44 H new ATOM 0 HB VAL A 31 5.699 13.066 -9.312 1.00 64.24 H new ATOM 0 HG11 VAL A 31 3.799 12.320 -7.939 1.00 1.31 H new ATOM 0 HG12 VAL A 31 5.360 11.944 -7.169 1.00 1.31 H new ATOM 0 HG13 VAL A 31 4.389 13.318 -6.588 1.00 1.31 H new ATOM 0 HG21 VAL A 31 3.572 14.302 -9.397 1.00 33.22 H new ATOM 0 HG22 VAL A 31 4.153 15.383 -8.108 1.00 33.22 H new ATOM 0 HG23 VAL A 31 4.967 15.367 -9.690 1.00 33.22 H new ATOM 174 N TRP A 32 8.516 12.740 -7.936 1.00 10.43 N ATOM 175 CA TRP A 32 9.402 11.681 -7.466 1.00 74.22 C ATOM 176 C TRP A 32 10.373 12.209 -6.416 1.00 33.41 C ATOM 177 O TRP A 32 10.473 11.661 -5.317 1.00 74.43 O ATOM 178 CB TRP A 32 10.177 11.079 -8.639 1.00 42.12 C ATOM 179 CG TRP A 32 10.884 9.804 -8.292 1.00 63.01 C ATOM 180 CD1 TRP A 32 10.317 8.655 -7.819 1.00 5.24 C ATOM 181 CD2 TRP A 32 12.290 9.550 -8.390 1.00 31.45 C ATOM 182 NE1 TRP A 32 11.286 7.702 -7.616 1.00 22.02 N ATOM 183 CE2 TRP A 32 12.504 8.226 -7.959 1.00 64.54 C ATOM 184 CE3 TRP A 32 13.388 10.311 -8.800 1.00 73.52 C ATOM 185 CZ2 TRP A 32 13.772 7.650 -7.928 1.00 34.50 C ATOM 186 CZ3 TRP A 32 14.645 9.737 -8.768 1.00 53.51 C ATOM 187 CH2 TRP A 32 14.828 8.417 -8.335 1.00 44.44 C ATOM 0 H TRP A 32 8.751 13.109 -8.857 1.00 10.43 H new ATOM 0 HA TRP A 32 8.789 10.905 -7.008 1.00 74.22 H new ATOM 0 HB2 TRP A 32 9.488 10.891 -9.462 1.00 42.12 H new ATOM 0 HB3 TRP A 32 10.907 11.806 -8.994 1.00 42.12 H new ATOM 0 HD1 TRP A 32 9.262 8.516 -7.632 1.00 5.24 H new ATOM 0 HE1 TRP A 32 11.124 6.757 -7.267 1.00 22.02 H new ATOM 0 HE3 TRP A 32 13.257 11.329 -9.136 1.00 73.52 H new ATOM 0 HZ2 TRP A 32 13.916 6.633 -7.594 1.00 34.50 H new ATOM 0 HZ3 TRP A 32 15.501 10.316 -9.082 1.00 53.51 H new ATOM 0 HH2 TRP A 32 15.823 7.997 -8.323 1.00 44.44 H new ATOM 198 N LEU A 33 11.087 13.275 -6.759 1.00 75.03 N ATOM 199 CA LEU A 33 12.050 13.877 -5.845 1.00 4.32 C ATOM 200 C LEU A 33 11.342 14.559 -4.679 1.00 1.32 C ATOM 201 O LEU A 33 11.923 14.747 -3.610 1.00 63.44 O ATOM 202 CB LEU A 33 12.924 14.889 -6.588 1.00 5.23 C ATOM 203 CG LEU A 33 14.083 14.308 -7.399 1.00 30.32 C ATOM 204 CD1 LEU A 33 14.300 15.112 -8.671 1.00 61.33 C ATOM 205 CD2 LEU A 33 15.355 14.274 -6.564 1.00 34.23 C ATOM 0 H LEU A 33 11.017 13.740 -7.664 1.00 75.03 H new ATOM 0 HA LEU A 33 12.682 13.083 -5.448 1.00 4.32 H new ATOM 0 HB2 LEU A 33 12.288 15.463 -7.261 1.00 5.23 H new ATOM 0 HB3 LEU A 33 13.332 15.590 -5.860 1.00 5.23 H new ATOM 0 HG LEU A 33 13.829 13.286 -7.678 1.00 30.32 H new ATOM 0 HD11 LEU A 33 15.129 14.684 -9.235 1.00 61.33 H new ATOM 0 HD12 LEU A 33 13.395 15.084 -9.278 1.00 61.33 H new ATOM 0 HD13 LEU A 33 14.532 16.145 -8.413 1.00 61.33 H new ATOM 0 HD21 LEU A 33 16.169 13.858 -7.158 1.00 34.23 H new ATOM 0 HD22 LEU A 33 15.614 15.286 -6.253 1.00 34.23 H new ATOM 0 HD23 LEU A 33 15.195 13.654 -5.682 1.00 34.23 H new ATOM 217 N ALA A 34 10.083 14.927 -4.891 1.00 74.43 N ATOM 218 CA ALA A 34 9.294 15.584 -3.857 1.00 35.31 C ATOM 219 C ALA A 34 9.099 14.670 -2.651 1.00 42.24 C ATOM 220 O ALA A 34 8.770 15.130 -1.557 1.00 74.43 O ATOM 221 CB ALA A 34 7.946 16.017 -4.416 1.00 24.21 C ATOM 0 H ALA A 34 9.587 14.781 -5.770 1.00 74.43 H new ATOM 0 HA ALA A 34 9.839 16.468 -3.526 1.00 35.31 H new ATOM 0 HB1 ALA A 34 7.367 16.506 -3.632 1.00 24.21 H new ATOM 0 HB2 ALA A 34 8.101 16.712 -5.241 1.00 24.21 H new ATOM 0 HB3 ALA A 34 7.403 15.143 -4.775 1.00 24.21 H new ATOM 227 N THR A 35 9.305 13.373 -2.858 1.00 54.12 N ATOM 228 CA THR A 35 9.150 12.395 -1.789 1.00 62.21 C ATOM 229 C THR A 35 10.235 12.560 -0.731 1.00 42.42 C ATOM 230 O THR A 35 10.051 12.183 0.426 1.00 71.10 O ATOM 231 CB THR A 35 9.196 10.955 -2.334 1.00 62.13 C ATOM 232 OG1 THR A 35 10.482 10.688 -2.905 1.00 21.13 O ATOM 233 CG2 THR A 35 8.116 10.739 -3.383 1.00 73.50 C ATOM 0 H THR A 35 9.580 12.976 -3.756 1.00 54.12 H new ATOM 0 HA THR A 35 8.175 12.574 -1.336 1.00 62.21 H new ATOM 0 HB THR A 35 9.018 10.270 -1.505 1.00 62.13 H new ATOM 0 HG1 THR A 35 10.488 10.969 -3.844 1.00 21.13 H new ATOM 0 HG21 THR A 35 8.168 9.715 -3.753 1.00 73.50 H new ATOM 0 HG22 THR A 35 7.136 10.915 -2.938 1.00 73.50 H new ATOM 0 HG23 THR A 35 8.268 11.432 -4.210 1.00 73.50 H new ATOM 241 N VAL A 36 11.367 13.128 -1.135 1.00 43.01 N ATOM 242 CA VAL A 36 12.482 13.346 -0.221 1.00 21.51 C ATOM 243 C VAL A 36 12.738 14.834 -0.011 1.00 21.43 C ATOM 244 O VAL A 36 13.797 15.230 0.478 1.00 32.51 O ATOM 245 CB VAL A 36 13.772 12.682 -0.740 1.00 55.33 C ATOM 246 CG1 VAL A 36 13.635 11.167 -0.728 1.00 4.41 C ATOM 247 CG2 VAL A 36 14.103 13.185 -2.137 1.00 70.44 C ATOM 0 H VAL A 36 11.536 13.446 -2.089 1.00 43.01 H new ATOM 0 HA VAL A 36 12.205 12.890 0.730 1.00 21.51 H new ATOM 0 HB VAL A 36 14.593 12.953 -0.076 1.00 55.33 H new ATOM 0 HG11 VAL A 36 14.556 10.715 -1.098 1.00 4.41 H new ATOM 0 HG12 VAL A 36 13.448 10.827 0.290 1.00 4.41 H new ATOM 0 HG13 VAL A 36 12.804 10.872 -1.368 1.00 4.41 H new ATOM 0 HG21 VAL A 36 15.017 12.706 -2.489 1.00 70.44 H new ATOM 0 HG22 VAL A 36 13.283 12.944 -2.814 1.00 70.44 H new ATOM 0 HG23 VAL A 36 14.246 14.265 -2.110 1.00 70.44 H new ATOM 257 N HIS A 37 11.761 15.655 -0.383 1.00 23.13 N ATOM 258 CA HIS A 37 11.880 17.101 -0.234 1.00 1.02 C ATOM 259 C HIS A 37 13.022 17.643 -1.088 1.00 4.12 C ATOM 260 O HIS A 37 13.785 18.505 -0.649 1.00 30.14 O ATOM 261 CB HIS A 37 12.107 17.467 1.233 1.00 33.03 C ATOM 262 CG HIS A 37 11.228 16.711 2.182 1.00 62.22 C ATOM 263 ND1 HIS A 37 11.701 16.110 3.329 1.00 21.12 N ATOM 264 CD2 HIS A 37 9.898 16.461 2.149 1.00 42.21 C ATOM 265 CE1 HIS A 37 10.701 15.522 3.960 1.00 35.22 C ATOM 266 NE2 HIS A 37 9.595 15.721 3.265 1.00 62.51 N ATOM 0 H HIS A 37 10.879 15.344 -0.790 1.00 23.13 H new ATOM 0 HA HIS A 37 10.949 17.554 -0.574 1.00 1.02 H new ATOM 0 HB2 HIS A 37 13.150 17.279 1.489 1.00 33.03 H new ATOM 0 HB3 HIS A 37 11.934 18.535 1.363 1.00 33.03 H new ATOM 0 HD2 HIS A 37 9.204 16.784 1.387 1.00 42.21 H new ATOM 0 HE1 HIS A 37 10.775 14.972 4.887 1.00 35.22 H new ATOM 0 HE2 HIS A 37 8.667 15.380 3.517 1.00 62.51 H new ATOM 274 N LEU A 38 13.135 17.132 -2.309 1.00 2.50 N ATOM 275 CA LEU A 38 14.185 17.565 -3.225 1.00 21.31 C ATOM 276 C LEU A 38 13.643 17.713 -4.643 1.00 44.50 C ATOM 277 O LEU A 38 14.387 17.598 -5.617 1.00 30.25 O ATOM 278 CB LEU A 38 15.344 16.566 -3.212 1.00 12.24 C ATOM 279 CG LEU A 38 16.012 16.332 -1.856 1.00 64.25 C ATOM 280 CD1 LEU A 38 16.735 14.994 -1.842 1.00 63.01 C ATOM 281 CD2 LEU A 38 16.976 17.464 -1.534 1.00 43.54 C ATOM 0 H LEU A 38 12.513 16.418 -2.688 1.00 2.50 H new ATOM 0 HA LEU A 38 14.547 18.537 -2.890 1.00 21.31 H new ATOM 0 HB2 LEU A 38 14.977 15.609 -3.584 1.00 12.24 H new ATOM 0 HB3 LEU A 38 16.103 16.911 -3.914 1.00 12.24 H new ATOM 0 HG LEU A 38 15.238 16.312 -1.089 1.00 64.25 H new ATOM 0 HD11 LEU A 38 17.204 14.844 -0.870 1.00 63.01 H new ATOM 0 HD12 LEU A 38 16.020 14.192 -2.027 1.00 63.01 H new ATOM 0 HD13 LEU A 38 17.499 14.985 -2.619 1.00 63.01 H new ATOM 0 HD21 LEU A 38 17.442 17.281 -0.566 1.00 43.54 H new ATOM 0 HD22 LEU A 38 17.746 17.516 -2.303 1.00 43.54 H new ATOM 0 HD23 LEU A 38 16.431 18.408 -1.502 1.00 43.54 H new ATOM 293 N GLU A 39 12.344 17.973 -4.750 1.00 71.45 N ATOM 294 CA GLU A 39 11.704 18.139 -6.050 1.00 73.41 C ATOM 295 C GLU A 39 12.387 19.239 -6.857 1.00 23.13 C ATOM 296 O GLU A 39 12.317 19.256 -8.085 1.00 62.12 O ATOM 297 CB GLU A 39 10.220 18.467 -5.874 1.00 53.21 C ATOM 298 CG GLU A 39 9.961 19.900 -5.438 1.00 71.44 C ATOM 299 CD GLU A 39 8.512 20.142 -5.063 1.00 10.52 C ATOM 300 OE1 GLU A 39 7.627 19.839 -5.890 1.00 34.12 O ATOM 301 OE2 GLU A 39 8.263 20.636 -3.943 1.00 64.11 O ATOM 0 H GLU A 39 11.715 18.073 -3.954 1.00 71.45 H new ATOM 0 HA GLU A 39 11.799 17.200 -6.596 1.00 73.41 H new ATOM 0 HB2 GLU A 39 9.702 18.283 -6.815 1.00 53.21 H new ATOM 0 HB3 GLU A 39 9.792 17.789 -5.136 1.00 53.21 H new ATOM 0 HG2 GLU A 39 10.598 20.137 -4.586 1.00 71.44 H new ATOM 0 HG3 GLU A 39 10.242 20.578 -6.244 1.00 71.44 H new ATOM 308 N GLN A 40 13.047 20.155 -6.156 1.00 0.42 N ATOM 309 CA GLN A 40 13.742 21.260 -6.806 1.00 70.14 C ATOM 310 C GLN A 40 14.783 20.742 -7.793 1.00 43.01 C ATOM 311 O GLN A 40 15.148 21.432 -8.745 1.00 5.40 O ATOM 312 CB GLN A 40 14.412 22.154 -5.762 1.00 41.52 C ATOM 313 CG GLN A 40 15.591 21.496 -5.063 1.00 54.12 C ATOM 314 CD GLN A 40 15.816 22.037 -3.665 1.00 44.12 C ATOM 315 OE1 GLN A 40 15.775 23.247 -3.441 1.00 41.22 O ATOM 316 NE2 GLN A 40 16.057 21.141 -2.715 1.00 51.20 N ATOM 0 H GLN A 40 13.115 20.154 -5.138 1.00 0.42 H new ATOM 0 HA GLN A 40 13.006 21.846 -7.356 1.00 70.14 H new ATOM 0 HB2 GLN A 40 14.752 23.070 -6.245 1.00 41.52 H new ATOM 0 HB3 GLN A 40 13.673 22.443 -5.015 1.00 41.52 H new ATOM 0 HG2 GLN A 40 15.423 20.420 -5.010 1.00 54.12 H new ATOM 0 HG3 GLN A 40 16.492 21.649 -5.657 1.00 54.12 H new ATOM 0 HE21 GLN A 40 16.082 20.148 -2.945 1.00 51.20 H new ATOM 0 HE22 GLN A 40 16.217 21.446 -1.755 1.00 51.20 H new ATOM 325 N TYR A 41 15.258 19.524 -7.559 1.00 72.44 N ATOM 326 CA TYR A 41 16.260 18.914 -8.426 1.00 54.21 C ATOM 327 C TYR A 41 15.638 18.467 -9.746 1.00 25.32 C ATOM 328 O TYR A 41 16.344 18.077 -10.676 1.00 53.51 O ATOM 329 CB TYR A 41 16.912 17.721 -7.726 1.00 61.11 C ATOM 330 CG TYR A 41 18.318 17.997 -7.243 1.00 12.15 C ATOM 331 CD1 TYR A 41 19.279 18.519 -8.100 1.00 14.15 C ATOM 332 CD2 TYR A 41 18.685 17.737 -5.928 1.00 32.32 C ATOM 333 CE1 TYR A 41 20.564 18.772 -7.662 1.00 42.11 C ATOM 334 CE2 TYR A 41 19.968 17.988 -5.481 1.00 73.02 C ATOM 335 CZ TYR A 41 20.904 18.505 -6.352 1.00 51.11 C ATOM 336 OH TYR A 41 22.183 18.757 -5.912 1.00 41.21 O ATOM 0 H TYR A 41 14.966 18.939 -6.776 1.00 72.44 H new ATOM 0 HA TYR A 41 17.023 19.662 -8.640 1.00 54.21 H new ATOM 0 HB2 TYR A 41 16.296 17.428 -6.876 1.00 61.11 H new ATOM 0 HB3 TYR A 41 16.932 16.874 -8.412 1.00 61.11 H new ATOM 0 HD1 TYR A 41 19.017 18.730 -9.126 1.00 14.15 H new ATOM 0 HD2 TYR A 41 17.955 17.332 -5.244 1.00 32.32 H new ATOM 0 HE1 TYR A 41 21.299 19.177 -8.342 1.00 42.11 H new ATOM 0 HE2 TYR A 41 20.236 17.781 -4.456 1.00 73.02 H new ATOM 0 HH TYR A 41 22.257 18.515 -4.965 1.00 41.21 H new ATOM 346 N ALA A 42 14.313 18.526 -9.818 1.00 52.04 N ATOM 347 CA ALA A 42 13.595 18.130 -11.024 1.00 4.02 C ATOM 348 C ALA A 42 13.996 18.998 -12.212 1.00 5.14 C ATOM 349 O ALA A 42 13.870 18.586 -13.365 1.00 32.12 O ATOM 350 CB ALA A 42 12.093 18.208 -10.794 1.00 4.32 C ATOM 0 H ALA A 42 13.714 18.844 -9.056 1.00 52.04 H new ATOM 0 HA ALA A 42 13.863 17.099 -11.254 1.00 4.02 H new ATOM 0 HB1 ALA A 42 11.570 17.910 -11.703 1.00 4.32 H new ATOM 0 HB2 ALA A 42 11.815 17.540 -9.979 1.00 4.32 H new ATOM 0 HB3 ALA A 42 11.817 19.230 -10.536 1.00 4.32 H new ATOM 356 N ASP A 43 14.480 20.201 -11.923 1.00 13.25 N ATOM 357 CA ASP A 43 14.900 21.128 -12.967 1.00 72.24 C ATOM 358 C ASP A 43 16.024 20.527 -13.806 1.00 55.44 C ATOM 359 O ASP A 43 15.838 20.220 -14.985 1.00 10.34 O ATOM 360 CB ASP A 43 15.357 22.451 -12.352 1.00 25.15 C ATOM 361 CG ASP A 43 15.260 23.608 -13.327 1.00 24.43 C ATOM 362 OD1 ASP A 43 14.170 23.809 -13.901 1.00 63.44 O ATOM 363 OD2 ASP A 43 16.275 24.311 -13.516 1.00 12.41 O ATOM 0 H ASP A 43 14.591 20.557 -10.974 1.00 13.25 H new ATOM 0 HA ASP A 43 14.045 21.316 -13.617 1.00 72.24 H new ATOM 0 HB2 ASP A 43 14.750 22.669 -11.473 1.00 25.15 H new ATOM 0 HB3 ASP A 43 16.388 22.353 -12.011 1.00 25.15 H new ATOM 368 N THR A 44 17.191 20.363 -13.192 1.00 41.12 N ATOM 369 CA THR A 44 18.346 19.802 -13.882 1.00 75.14 C ATOM 370 C THR A 44 18.006 18.459 -14.519 1.00 41.34 C ATOM 371 O THR A 44 18.544 18.105 -15.569 1.00 22.24 O ATOM 372 CB THR A 44 19.537 19.616 -12.924 1.00 43.13 C ATOM 373 OG1 THR A 44 20.622 18.981 -13.610 1.00 4.13 O ATOM 374 CG2 THR A 44 19.136 18.782 -11.717 1.00 10.20 C ATOM 0 H THR A 44 17.362 20.611 -12.217 1.00 41.12 H new ATOM 0 HA THR A 44 18.624 20.511 -14.662 1.00 75.14 H new ATOM 0 HB THR A 44 19.853 20.600 -12.577 1.00 43.13 H new ATOM 0 HG1 THR A 44 21.318 18.735 -12.965 1.00 4.13 H new ATOM 0 HG21 THR A 44 19.994 18.664 -11.055 1.00 10.20 H new ATOM 0 HG22 THR A 44 18.330 19.282 -11.181 1.00 10.20 H new ATOM 0 HG23 THR A 44 18.797 17.801 -12.049 1.00 10.20 H new ATOM 382 N PHE A 45 17.110 17.716 -13.879 1.00 72.34 N ATOM 383 CA PHE A 45 16.699 16.411 -14.384 1.00 35.20 C ATOM 384 C PHE A 45 15.981 16.547 -15.724 1.00 13.25 C ATOM 385 O PHE A 45 16.346 15.899 -16.704 1.00 51.04 O ATOM 386 CB PHE A 45 15.786 15.714 -13.372 1.00 65.55 C ATOM 387 CG PHE A 45 16.384 14.467 -12.786 1.00 24.22 C ATOM 388 CD1 PHE A 45 17.528 14.532 -12.006 1.00 34.32 C ATOM 389 CD2 PHE A 45 15.804 13.230 -13.015 1.00 75.10 C ATOM 390 CE1 PHE A 45 18.080 13.386 -11.464 1.00 43.41 C ATOM 391 CE2 PHE A 45 16.351 12.081 -12.476 1.00 4.43 C ATOM 392 CZ PHE A 45 17.492 12.160 -11.700 1.00 72.53 C ATOM 0 H PHE A 45 16.655 17.995 -13.010 1.00 72.34 H new ATOM 0 HA PHE A 45 17.595 15.808 -14.532 1.00 35.20 H new ATOM 0 HB2 PHE A 45 15.553 16.409 -12.566 1.00 65.55 H new ATOM 0 HB3 PHE A 45 14.844 15.462 -13.858 1.00 65.55 H new ATOM 0 HD1 PHE A 45 17.993 15.489 -11.820 1.00 34.32 H new ATOM 0 HD2 PHE A 45 14.913 13.163 -13.622 1.00 75.10 H new ATOM 0 HE1 PHE A 45 18.971 13.450 -10.856 1.00 43.41 H new ATOM 0 HE2 PHE A 45 15.888 11.123 -12.661 1.00 4.43 H new ATOM 0 HZ PHE A 45 17.923 11.264 -11.279 1.00 72.53 H new ATOM 402 N ARG A 46 14.957 17.394 -15.756 1.00 43.50 N ATOM 403 CA ARG A 46 14.187 17.615 -16.974 1.00 15.23 C ATOM 404 C ARG A 46 15.089 18.083 -18.111 1.00 44.23 C ATOM 405 O ARG A 46 14.987 17.598 -19.238 1.00 23.41 O ATOM 406 CB ARG A 46 13.085 18.647 -16.725 1.00 73.02 C ATOM 407 CG ARG A 46 12.089 18.229 -15.656 1.00 32.01 C ATOM 408 CD ARG A 46 11.556 19.430 -14.891 1.00 1.34 C ATOM 409 NE ARG A 46 10.166 19.723 -15.230 1.00 20.35 N ATOM 410 CZ ARG A 46 9.802 20.434 -16.291 1.00 4.02 C ATOM 411 NH1 ARG A 46 10.721 20.923 -17.112 1.00 64.52 N ATOM 412 NH2 ARG A 46 8.517 20.658 -16.533 1.00 31.55 N ATOM 0 H ARG A 46 14.642 17.938 -14.953 1.00 43.50 H new ATOM 0 HA ARG A 46 13.731 16.668 -17.262 1.00 15.23 H new ATOM 0 HB2 ARG A 46 13.543 19.592 -16.433 1.00 73.02 H new ATOM 0 HB3 ARG A 46 12.550 18.827 -17.658 1.00 73.02 H new ATOM 0 HG2 ARG A 46 11.260 17.694 -16.119 1.00 32.01 H new ATOM 0 HG3 ARG A 46 12.567 17.537 -14.962 1.00 32.01 H new ATOM 0 HD2 ARG A 46 11.636 19.242 -13.820 1.00 1.34 H new ATOM 0 HD3 ARG A 46 12.173 20.301 -15.109 1.00 1.34 H new ATOM 0 HE ARG A 46 9.434 19.362 -14.618 1.00 20.35 H new ATOM 0 HH11 ARG A 46 11.710 20.753 -16.929 1.00 64.52 H new ATOM 0 HH12 ARG A 46 10.439 21.469 -17.926 1.00 64.52 H new ATOM 0 HH21 ARG A 46 7.807 20.284 -15.904 1.00 31.55 H new ATOM 0 HH22 ARG A 46 8.239 21.204 -17.348 1.00 31.55 H new ATOM 426 N ARG A 47 15.972 19.029 -17.808 1.00 40.42 N ATOM 427 CA ARG A 47 16.891 19.564 -18.805 1.00 44.34 C ATOM 428 C ARG A 47 17.865 18.489 -19.280 1.00 13.03 C ATOM 429 O ARG A 47 18.533 18.649 -20.301 1.00 62.14 O ATOM 430 CB ARG A 47 17.667 20.751 -18.231 1.00 14.33 C ATOM 431 CG ARG A 47 18.141 21.737 -19.286 1.00 11.23 C ATOM 432 CD ARG A 47 17.111 22.828 -19.532 1.00 12.43 C ATOM 433 NE ARG A 47 17.446 23.645 -20.695 1.00 74.04 N ATOM 434 CZ ARG A 47 16.702 24.661 -21.119 1.00 33.30 C ATOM 435 NH1 ARG A 47 15.587 24.983 -20.477 1.00 41.35 N ATOM 436 NH2 ARG A 47 17.073 25.357 -22.186 1.00 72.41 N ATOM 0 H ARG A 47 16.070 19.441 -16.880 1.00 40.42 H new ATOM 0 HA ARG A 47 16.303 19.901 -19.659 1.00 44.34 H new ATOM 0 HB2 ARG A 47 17.035 21.275 -17.514 1.00 14.33 H new ATOM 0 HB3 ARG A 47 18.531 20.378 -17.681 1.00 14.33 H new ATOM 0 HG2 ARG A 47 19.081 22.188 -18.968 1.00 11.23 H new ATOM 0 HG3 ARG A 47 18.341 21.207 -20.217 1.00 11.23 H new ATOM 0 HD2 ARG A 47 16.131 22.375 -19.678 1.00 12.43 H new ATOM 0 HD3 ARG A 47 17.040 23.465 -18.650 1.00 12.43 H new ATOM 0 HE ARG A 47 18.298 23.424 -21.210 1.00 74.04 H new ATOM 0 HH11 ARG A 47 15.299 24.450 -19.656 1.00 41.35 H new ATOM 0 HH12 ARG A 47 15.017 25.763 -20.804 1.00 41.35 H new ATOM 0 HH21 ARG A 47 17.930 25.112 -22.682 1.00 72.41 H new ATOM 0 HH22 ARG A 47 16.501 26.137 -22.510 1.00 72.41 H new ATOM 450 N HIS A 48 17.939 17.394 -18.530 1.00 64.44 N ATOM 451 CA HIS A 48 18.831 16.292 -18.874 1.00 71.52 C ATOM 452 C HIS A 48 18.153 15.325 -19.840 1.00 54.15 C ATOM 453 O HIS A 48 18.780 14.397 -20.349 1.00 44.41 O ATOM 454 CB HIS A 48 19.266 15.547 -17.612 1.00 3.13 C ATOM 455 CG HIS A 48 20.745 15.326 -17.527 1.00 2.04 C ATOM 456 ND1 HIS A 48 21.311 14.081 -17.347 1.00 0.53 N ATOM 457 CD2 HIS A 48 21.777 16.200 -17.600 1.00 35.44 C ATOM 458 CE1 HIS A 48 22.626 14.199 -17.311 1.00 3.30 C ATOM 459 NE2 HIS A 48 22.935 15.475 -17.463 1.00 33.43 N ATOM 0 H HIS A 48 17.393 17.246 -17.681 1.00 64.44 H new ATOM 0 HA HIS A 48 19.711 16.709 -19.363 1.00 71.52 H new ATOM 0 HB2 HIS A 48 18.940 16.110 -16.737 1.00 3.13 H new ATOM 0 HB3 HIS A 48 18.760 14.582 -17.577 1.00 3.13 H new ATOM 0 HD2 HIS A 48 21.703 17.268 -17.740 1.00 35.44 H new ATOM 0 HE1 HIS A 48 23.329 13.390 -17.180 1.00 3.30 H new ATOM 0 HE2 HIS A 48 23.880 15.859 -17.476 1.00 33.43 H new ATOM 467 N GLY A 49 16.866 15.549 -20.088 1.00 54.35 N ATOM 468 CA GLY A 49 16.124 14.690 -20.992 1.00 74.30 C ATOM 469 C GLY A 49 15.268 13.677 -20.257 1.00 62.12 C ATOM 470 O GLY A 49 14.819 12.691 -20.843 1.00 73.10 O ATOM 0 H GLY A 49 16.324 16.310 -19.679 1.00 54.35 H new ATOM 0 HA2 GLY A 49 15.488 15.303 -21.631 1.00 74.30 H new ATOM 0 HA3 GLY A 49 16.822 14.166 -21.645 1.00 74.30 H new ATOM 474 N LEU A 50 15.043 13.918 -18.970 1.00 61.23 N ATOM 475 CA LEU A 50 14.237 13.018 -18.153 1.00 32.30 C ATOM 476 C LEU A 50 13.348 13.803 -17.194 1.00 31.43 C ATOM 477 O LEU A 50 13.772 14.170 -16.098 1.00 60.34 O ATOM 478 CB LEU A 50 15.139 12.065 -17.367 1.00 1.25 C ATOM 479 CG LEU A 50 16.539 12.585 -17.038 1.00 63.43 C ATOM 480 CD1 LEU A 50 17.019 12.023 -15.709 1.00 61.30 C ATOM 481 CD2 LEU A 50 17.514 12.231 -18.152 1.00 20.20 C ATOM 0 H LEU A 50 15.407 14.729 -18.470 1.00 61.23 H new ATOM 0 HA LEU A 50 13.598 12.437 -18.818 1.00 32.30 H new ATOM 0 HB2 LEU A 50 14.639 11.811 -16.433 1.00 1.25 H new ATOM 0 HB3 LEU A 50 15.241 11.141 -17.936 1.00 1.25 H new ATOM 0 HG LEU A 50 16.492 13.671 -16.954 1.00 63.43 H new ATOM 0 HD11 LEU A 50 18.017 12.404 -15.492 1.00 61.30 H new ATOM 0 HD12 LEU A 50 16.334 12.327 -14.917 1.00 61.30 H new ATOM 0 HD13 LEU A 50 17.050 10.935 -15.764 1.00 61.30 H new ATOM 0 HD21 LEU A 50 18.505 12.609 -17.901 1.00 20.20 H new ATOM 0 HD22 LEU A 50 17.557 11.148 -18.268 1.00 20.20 H new ATOM 0 HD23 LEU A 50 17.179 12.683 -19.086 1.00 20.20 H new ATOM 493 N ALA A 51 12.112 14.055 -17.612 1.00 70.45 N ATOM 494 CA ALA A 51 11.162 14.792 -16.789 1.00 32.21 C ATOM 495 C ALA A 51 10.213 13.844 -16.063 1.00 60.23 C ATOM 496 O ALA A 51 9.214 14.271 -15.484 1.00 11.13 O ATOM 497 CB ALA A 51 10.376 15.777 -17.642 1.00 64.55 C ATOM 0 H ALA A 51 11.745 13.759 -18.517 1.00 70.45 H new ATOM 0 HA ALA A 51 11.725 15.347 -16.038 1.00 32.21 H new ATOM 0 HB1 ALA A 51 9.670 16.320 -17.014 1.00 64.55 H new ATOM 0 HB2 ALA A 51 11.063 16.482 -18.110 1.00 64.55 H new ATOM 0 HB3 ALA A 51 9.831 15.235 -18.415 1.00 64.55 H new ATOM 503 N THR A 52 10.531 12.553 -16.099 1.00 51.42 N ATOM 504 CA THR A 52 9.706 11.545 -15.447 1.00 30.51 C ATOM 505 C THR A 52 10.562 10.423 -14.869 1.00 43.44 C ATOM 506 O THR A 52 11.646 10.133 -15.376 1.00 13.41 O ATOM 507 CB THR A 52 8.680 10.940 -16.424 1.00 10.11 C ATOM 508 OG1 THR A 52 9.357 10.297 -17.509 1.00 61.23 O ATOM 509 CG2 THR A 52 7.750 12.015 -16.966 1.00 1.34 C ATOM 0 H THR A 52 11.354 12.182 -16.573 1.00 51.42 H new ATOM 0 HA THR A 52 9.175 12.047 -14.638 1.00 30.51 H new ATOM 0 HB THR A 52 8.084 10.206 -15.882 1.00 10.11 H new ATOM 0 HG1 THR A 52 8.698 9.914 -18.125 1.00 61.23 H new ATOM 0 HG21 THR A 52 7.034 11.564 -17.654 1.00 1.34 H new ATOM 0 HG22 THR A 52 7.214 12.483 -16.140 1.00 1.34 H new ATOM 0 HG23 THR A 52 8.334 12.769 -17.493 1.00 1.34 H new ATOM 517 N ALA A 53 10.069 9.796 -13.807 1.00 21.31 N ATOM 518 CA ALA A 53 10.789 8.704 -13.162 1.00 55.13 C ATOM 519 C ALA A 53 11.007 7.544 -14.128 1.00 54.43 C ATOM 520 O ALA A 53 11.917 6.737 -13.949 1.00 22.14 O ATOM 521 CB ALA A 53 10.035 8.231 -11.928 1.00 55.03 C ATOM 0 H ALA A 53 9.174 10.025 -13.374 1.00 21.31 H new ATOM 0 HA ALA A 53 11.767 9.077 -12.856 1.00 55.13 H new ATOM 0 HB1 ALA A 53 10.584 7.416 -11.457 1.00 55.03 H new ATOM 0 HB2 ALA A 53 9.936 9.057 -11.223 1.00 55.03 H new ATOM 0 HB3 ALA A 53 9.044 7.881 -12.219 1.00 55.03 H new ATOM 527 N GLY A 54 10.164 7.468 -15.154 1.00 33.32 N ATOM 528 CA GLY A 54 10.281 6.403 -16.132 1.00 61.54 C ATOM 529 C GLY A 54 11.323 6.701 -17.192 1.00 51.12 C ATOM 530 O GLY A 54 11.793 5.797 -17.882 1.00 73.02 O ATOM 0 H GLY A 54 9.403 8.125 -15.325 1.00 33.32 H new ATOM 0 HA2 GLY A 54 10.540 5.474 -15.624 1.00 61.54 H new ATOM 0 HA3 GLY A 54 9.315 6.246 -16.611 1.00 61.54 H new ATOM 534 N ALA A 55 11.684 7.973 -17.323 1.00 53.42 N ATOM 535 CA ALA A 55 12.677 8.389 -18.306 1.00 75.43 C ATOM 536 C ALA A 55 14.058 8.513 -17.673 1.00 20.23 C ATOM 537 O ALA A 55 15.043 8.784 -18.358 1.00 44.10 O ATOM 538 CB ALA A 55 12.267 9.707 -18.946 1.00 33.10 C ATOM 0 H ALA A 55 11.303 8.734 -16.760 1.00 53.42 H new ATOM 0 HA ALA A 55 12.729 7.623 -19.080 1.00 75.43 H new ATOM 0 HB1 ALA A 55 13.018 10.005 -19.678 1.00 33.10 H new ATOM 0 HB2 ALA A 55 11.304 9.586 -19.442 1.00 33.10 H new ATOM 0 HB3 ALA A 55 12.185 10.475 -18.177 1.00 33.10 H new ATOM 544 N ALA A 56 14.122 8.313 -16.360 1.00 41.33 N ATOM 545 CA ALA A 56 15.383 8.402 -15.635 1.00 22.22 C ATOM 546 C ALA A 56 15.819 7.033 -15.122 1.00 40.24 C ATOM 547 O ALA A 56 16.966 6.849 -14.715 1.00 61.12 O ATOM 548 CB ALA A 56 15.260 9.385 -14.480 1.00 40.13 C ATOM 0 H ALA A 56 13.315 8.088 -15.778 1.00 41.33 H new ATOM 0 HA ALA A 56 16.146 8.763 -16.325 1.00 22.22 H new ATOM 0 HB1 ALA A 56 16.209 9.441 -13.947 1.00 40.13 H new ATOM 0 HB2 ALA A 56 15.002 10.371 -14.867 1.00 40.13 H new ATOM 0 HB3 ALA A 56 14.480 9.048 -13.797 1.00 40.13 H new ATOM 554 N ARG A 57 14.896 6.077 -15.145 1.00 24.12 N ATOM 555 CA ARG A 57 15.185 4.725 -14.680 1.00 45.54 C ATOM 556 C ARG A 57 16.462 4.191 -15.323 1.00 41.22 C ATOM 557 O ARG A 57 16.489 3.887 -16.515 1.00 31.22 O ATOM 558 CB ARG A 57 14.014 3.793 -14.996 1.00 42.41 C ATOM 559 CG ARG A 57 13.600 3.809 -16.459 1.00 3.25 C ATOM 560 CD ARG A 57 12.227 3.187 -16.655 1.00 54.34 C ATOM 561 NE ARG A 57 11.884 3.053 -18.069 1.00 0.23 N ATOM 562 CZ ARG A 57 10.640 2.911 -18.513 1.00 63.12 C ATOM 563 NH1 ARG A 57 9.627 2.885 -17.659 1.00 75.11 N ATOM 564 NH2 ARG A 57 10.409 2.795 -19.815 1.00 33.25 N ATOM 0 H ARG A 57 13.942 6.213 -15.480 1.00 24.12 H new ATOM 0 HA ARG A 57 15.330 4.762 -13.600 1.00 45.54 H new ATOM 0 HB2 ARG A 57 14.285 2.775 -14.715 1.00 42.41 H new ATOM 0 HB3 ARG A 57 13.159 4.077 -14.382 1.00 42.41 H new ATOM 0 HG2 ARG A 57 13.591 4.836 -16.825 1.00 3.25 H new ATOM 0 HG3 ARG A 57 14.335 3.265 -17.052 1.00 3.25 H new ATOM 0 HD2 ARG A 57 12.203 2.206 -16.181 1.00 54.34 H new ATOM 0 HD3 ARG A 57 11.477 3.800 -16.156 1.00 54.34 H new ATOM 0 HE ARG A 57 12.641 3.069 -18.752 1.00 0.23 H new ATOM 0 HH11 ARG A 57 9.801 2.974 -16.658 1.00 75.11 H new ATOM 0 HH12 ARG A 57 8.673 2.776 -18.003 1.00 75.11 H new ATOM 0 HH21 ARG A 57 11.187 2.815 -20.475 1.00 33.25 H new ATOM 0 HH22 ARG A 57 9.454 2.686 -20.156 1.00 33.25 H new ATOM 578 N GLY A 58 17.519 4.081 -14.524 1.00 64.44 N ATOM 579 CA GLY A 58 18.785 3.584 -15.033 1.00 34.10 C ATOM 580 C GLY A 58 19.972 4.341 -14.472 1.00 62.31 C ATOM 581 O GLY A 58 21.042 3.767 -14.265 1.00 63.32 O ATOM 0 H GLY A 58 17.522 4.327 -13.534 1.00 64.44 H new ATOM 0 HA2 GLY A 58 18.883 2.527 -14.786 1.00 34.10 H new ATOM 0 HA3 GLY A 58 18.791 3.659 -16.120 1.00 34.10 H new ATOM 585 N LEU A 59 19.786 5.633 -14.227 1.00 32.23 N ATOM 586 CA LEU A 59 20.851 6.471 -13.688 1.00 24.33 C ATOM 587 C LEU A 59 21.459 5.842 -12.438 1.00 21.11 C ATOM 588 O LEU A 59 20.761 5.209 -11.647 1.00 63.52 O ATOM 589 CB LEU A 59 20.315 7.865 -13.361 1.00 54.42 C ATOM 590 CG LEU A 59 20.497 8.926 -14.447 1.00 40.05 C ATOM 591 CD1 LEU A 59 19.177 9.202 -15.151 1.00 2.54 C ATOM 592 CD2 LEU A 59 21.065 10.206 -13.853 1.00 0.42 C ATOM 0 H LEU A 59 18.907 6.123 -14.393 1.00 32.23 H new ATOM 0 HA LEU A 59 21.630 6.557 -14.446 1.00 24.33 H new ATOM 0 HB2 LEU A 59 19.251 7.780 -13.138 1.00 54.42 H new ATOM 0 HB3 LEU A 59 20.804 8.216 -12.452 1.00 54.42 H new ATOM 0 HG LEU A 59 21.205 8.546 -15.183 1.00 40.05 H new ATOM 0 HD11 LEU A 59 19.326 9.960 -15.920 1.00 2.54 H new ATOM 0 HD12 LEU A 59 18.811 8.284 -15.612 1.00 2.54 H new ATOM 0 HD13 LEU A 59 18.446 9.560 -14.426 1.00 2.54 H new ATOM 0 HD21 LEU A 59 21.188 10.949 -14.641 1.00 0.42 H new ATOM 0 HD22 LEU A 59 20.382 10.590 -13.095 1.00 0.42 H new ATOM 0 HD23 LEU A 59 22.033 9.997 -13.397 1.00 0.42 H new ATOM 604 N GLY A 60 22.765 6.023 -12.265 1.00 40.53 N ATOM 605 CA GLY A 60 23.444 5.470 -11.109 1.00 25.33 C ATOM 606 C GLY A 60 24.073 6.540 -10.238 1.00 34.30 C ATOM 607 O GLY A 60 23.786 7.727 -10.397 1.00 24.11 O ATOM 0 H GLY A 60 23.365 6.543 -12.906 1.00 40.53 H new ATOM 0 HA2 GLY A 60 22.734 4.894 -10.516 1.00 25.33 H new ATOM 0 HA3 GLY A 60 24.216 4.777 -11.442 1.00 25.33 H new ATOM 611 N HIS A 61 24.930 6.120 -9.313 1.00 64.03 N ATOM 612 CA HIS A 61 25.600 7.052 -8.413 1.00 21.54 C ATOM 613 C HIS A 61 26.583 7.934 -9.176 1.00 71.03 C ATOM 614 O HIS A 61 26.496 9.160 -9.128 1.00 2.41 O ATOM 615 CB HIS A 61 26.333 6.289 -7.309 1.00 30.23 C ATOM 616 CG HIS A 61 25.812 6.577 -5.934 1.00 45.22 C ATOM 617 ND1 HIS A 61 25.524 7.851 -5.491 1.00 31.44 N ATOM 618 CD2 HIS A 61 25.527 5.748 -4.903 1.00 61.45 C ATOM 619 CE1 HIS A 61 25.085 7.792 -4.246 1.00 23.11 C ATOM 620 NE2 HIS A 61 25.077 6.527 -3.866 1.00 61.12 N ATOM 0 H HIS A 61 25.177 5.141 -9.167 1.00 64.03 H new ATOM 0 HA HIS A 61 24.841 7.691 -7.962 1.00 21.54 H new ATOM 0 HB2 HIS A 61 26.252 5.219 -7.503 1.00 30.23 H new ATOM 0 HB3 HIS A 61 27.393 6.540 -7.347 1.00 30.23 H new ATOM 0 HD2 HIS A 61 25.634 4.673 -4.897 1.00 61.45 H new ATOM 0 HE1 HIS A 61 24.784 8.635 -3.642 1.00 23.11 H new ATOM 0 HE2 HIS A 61 24.784 6.185 -2.951 1.00 61.12 H new ATOM 628 N GLU A 62 27.517 7.301 -9.879 1.00 74.33 N ATOM 629 CA GLU A 62 28.516 8.029 -10.651 1.00 42.53 C ATOM 630 C GLU A 62 27.851 8.971 -11.651 1.00 42.02 C ATOM 631 O GLU A 62 28.440 9.968 -12.066 1.00 5.51 O ATOM 632 CB GLU A 62 29.436 7.053 -11.388 1.00 31.05 C ATOM 633 CG GLU A 62 30.701 6.711 -10.619 1.00 1.22 C ATOM 634 CD GLU A 62 30.561 5.444 -9.798 1.00 71.23 C ATOM 635 OE1 GLU A 62 30.087 5.533 -8.646 1.00 4.10 O ATOM 636 OE2 GLU A 62 30.924 4.363 -10.308 1.00 4.33 O ATOM 0 H GLU A 62 27.602 6.286 -9.929 1.00 74.33 H new ATOM 0 HA GLU A 62 29.110 8.623 -9.957 1.00 42.53 H new ATOM 0 HB2 GLU A 62 28.887 6.134 -11.594 1.00 31.05 H new ATOM 0 HB3 GLU A 62 29.711 7.483 -12.351 1.00 31.05 H new ATOM 0 HG2 GLU A 62 31.528 6.596 -11.320 1.00 1.22 H new ATOM 0 HG3 GLU A 62 30.956 7.540 -9.959 1.00 1.22 H new ATOM 643 N GLU A 63 26.620 8.645 -12.034 1.00 4.22 N ATOM 644 CA GLU A 63 25.876 9.461 -12.986 1.00 61.00 C ATOM 645 C GLU A 63 25.274 10.684 -12.301 1.00 3.44 C ATOM 646 O GLU A 63 25.212 11.768 -12.882 1.00 51.35 O ATOM 647 CB GLU A 63 24.769 8.635 -13.643 1.00 75.41 C ATOM 648 CG GLU A 63 24.023 9.378 -14.739 1.00 21.12 C ATOM 649 CD GLU A 63 24.913 9.729 -15.915 1.00 61.12 C ATOM 650 OE1 GLU A 63 25.623 10.753 -15.836 1.00 42.32 O ATOM 651 OE2 GLU A 63 24.900 8.980 -16.914 1.00 53.13 O ATOM 0 H GLU A 63 26.118 7.822 -11.700 1.00 4.22 H new ATOM 0 HA GLU A 63 26.571 9.801 -13.754 1.00 61.00 H new ATOM 0 HB2 GLU A 63 25.204 7.728 -14.062 1.00 75.41 H new ATOM 0 HB3 GLU A 63 24.058 8.323 -12.878 1.00 75.41 H new ATOM 0 HG2 GLU A 63 23.192 8.765 -15.087 1.00 21.12 H new ATOM 0 HG3 GLU A 63 23.595 10.292 -14.327 1.00 21.12 H new ATOM 658 N LEU A 64 24.832 10.503 -11.061 1.00 62.12 N ATOM 659 CA LEU A 64 24.234 11.591 -10.295 1.00 44.01 C ATOM 660 C LEU A 64 25.274 12.655 -9.958 1.00 22.11 C ATOM 661 O LEU A 64 24.952 13.837 -9.835 1.00 20.21 O ATOM 662 CB LEU A 64 23.606 11.051 -9.010 1.00 33.44 C ATOM 663 CG LEU A 64 22.154 10.583 -9.118 1.00 31.24 C ATOM 664 CD1 LEU A 64 21.712 9.912 -7.827 1.00 31.44 C ATOM 665 CD2 LEU A 64 21.240 11.753 -9.453 1.00 22.34 C ATOM 0 H LEU A 64 24.877 9.613 -10.565 1.00 62.12 H new ATOM 0 HA LEU A 64 23.457 12.049 -10.907 1.00 44.01 H new ATOM 0 HB2 LEU A 64 24.211 10.216 -8.657 1.00 33.44 H new ATOM 0 HB3 LEU A 64 23.660 11.829 -8.248 1.00 33.44 H new ATOM 0 HG LEU A 64 22.087 9.853 -9.924 1.00 31.24 H new ATOM 0 HD11 LEU A 64 20.676 9.586 -7.923 1.00 31.44 H new ATOM 0 HD12 LEU A 64 22.348 9.049 -7.629 1.00 31.44 H new ATOM 0 HD13 LEU A 64 21.795 10.620 -7.002 1.00 31.44 H new ATOM 0 HD21 LEU A 64 20.211 11.401 -9.526 1.00 22.34 H new ATOM 0 HD22 LEU A 64 21.311 12.507 -8.669 1.00 22.34 H new ATOM 0 HD23 LEU A 64 21.542 12.190 -10.405 1.00 22.34 H new ATOM 677 N LYS A 65 26.524 12.228 -9.811 1.00 71.14 N ATOM 678 CA LYS A 65 27.613 13.143 -9.492 1.00 42.01 C ATOM 679 C LYS A 65 27.821 14.154 -10.615 1.00 65.23 C ATOM 680 O LYS A 65 28.063 15.334 -10.363 1.00 21.23 O ATOM 681 CB LYS A 65 28.907 12.363 -9.247 1.00 72.02 C ATOM 682 CG LYS A 65 28.884 11.531 -7.977 1.00 21.22 C ATOM 683 CD LYS A 65 30.289 11.186 -7.511 1.00 13.34 C ATOM 684 CE LYS A 65 30.362 9.769 -6.963 1.00 44.13 C ATOM 685 NZ LYS A 65 31.737 9.206 -7.065 1.00 2.11 N ATOM 0 H LYS A 65 26.808 11.253 -9.908 1.00 71.14 H new ATOM 0 HA LYS A 65 27.345 13.684 -8.585 1.00 42.01 H new ATOM 0 HB2 LYS A 65 29.093 11.707 -10.098 1.00 72.02 H new ATOM 0 HB3 LYS A 65 29.740 13.064 -9.197 1.00 72.02 H new ATOM 0 HG2 LYS A 65 28.363 12.079 -7.191 1.00 21.22 H new ATOM 0 HG3 LYS A 65 28.322 10.614 -8.152 1.00 21.22 H new ATOM 0 HD2 LYS A 65 30.986 11.292 -8.343 1.00 13.34 H new ATOM 0 HD3 LYS A 65 30.602 11.892 -6.741 1.00 13.34 H new ATOM 0 HE2 LYS A 65 30.045 9.766 -5.920 1.00 44.13 H new ATOM 0 HE3 LYS A 65 29.667 9.132 -7.510 1.00 44.13 H new ATOM 0 HZ1 LYS A 65 31.746 8.239 -6.681 1.00 2.11 H new ATOM 0 HZ2 LYS A 65 32.031 9.185 -8.063 1.00 2.11 H new ATOM 0 HZ3 LYS A 65 32.396 9.800 -6.522 1.00 2.11 H new ATOM 699 N GLN A 66 27.725 13.683 -11.854 1.00 51.05 N ATOM 700 CA GLN A 66 27.902 14.547 -13.015 1.00 42.24 C ATOM 701 C GLN A 66 26.607 15.279 -13.352 1.00 42.20 C ATOM 702 O GLN A 66 26.602 16.220 -14.147 1.00 61.13 O ATOM 703 CB GLN A 66 28.367 13.728 -14.221 1.00 2.41 C ATOM 704 CG GLN A 66 29.848 13.387 -14.190 1.00 22.14 C ATOM 705 CD GLN A 66 30.267 12.501 -15.346 1.00 64.11 C ATOM 706 OE1 GLN A 66 29.481 12.235 -16.256 1.00 24.42 O ATOM 707 NE2 GLN A 66 31.512 12.039 -15.317 1.00 71.23 N ATOM 0 H GLN A 66 27.526 12.708 -12.080 1.00 51.05 H new ATOM 0 HA GLN A 66 28.664 15.288 -12.772 1.00 42.24 H new ATOM 0 HB2 GLN A 66 27.791 12.804 -14.266 1.00 2.41 H new ATOM 0 HB3 GLN A 66 28.150 14.284 -15.133 1.00 2.41 H new ATOM 0 HG2 GLN A 66 30.430 14.309 -14.214 1.00 22.14 H new ATOM 0 HG3 GLN A 66 30.082 12.887 -13.250 1.00 22.14 H new ATOM 0 HE21 GLN A 66 32.129 12.285 -14.543 1.00 71.23 H new ATOM 0 HE22 GLN A 66 31.851 11.438 -16.069 1.00 71.23 H new ATOM 716 N LEU A 67 25.511 14.842 -12.743 1.00 31.04 N ATOM 717 CA LEU A 67 24.208 15.456 -12.978 1.00 24.42 C ATOM 718 C LEU A 67 24.136 16.840 -12.341 1.00 74.30 C ATOM 719 O LEU A 67 23.340 17.683 -12.753 1.00 33.42 O ATOM 720 CB LEU A 67 23.096 14.566 -12.421 1.00 14.25 C ATOM 721 CG LEU A 67 22.129 13.976 -13.449 1.00 5.44 C ATOM 722 CD1 LEU A 67 21.017 13.206 -12.755 1.00 13.20 C ATOM 723 CD2 LEU A 67 21.552 15.075 -14.329 1.00 73.00 C ATOM 0 H LEU A 67 25.498 14.065 -12.083 1.00 31.04 H new ATOM 0 HA LEU A 67 24.073 15.565 -14.054 1.00 24.42 H new ATOM 0 HB2 LEU A 67 23.556 13.745 -11.872 1.00 14.25 H new ATOM 0 HB3 LEU A 67 22.519 15.147 -11.701 1.00 14.25 H new ATOM 0 HG LEU A 67 22.681 13.282 -14.083 1.00 5.44 H new ATOM 0 HD11 LEU A 67 20.339 12.794 -13.502 1.00 13.20 H new ATOM 0 HD12 LEU A 67 21.448 12.394 -12.168 1.00 13.20 H new ATOM 0 HD13 LEU A 67 20.466 13.877 -12.096 1.00 13.20 H new ATOM 0 HD21 LEU A 67 20.866 14.638 -15.055 1.00 73.00 H new ATOM 0 HD22 LEU A 67 21.015 15.793 -13.709 1.00 73.00 H new ATOM 0 HD23 LEU A 67 22.361 15.583 -14.854 1.00 73.00 H new ATOM 735 N GLY A 68 24.974 17.068 -11.335 1.00 22.44 N ATOM 736 CA GLY A 68 24.990 18.352 -10.659 1.00 22.44 C ATOM 737 C GLY A 68 24.726 18.227 -9.171 1.00 51.12 C ATOM 738 O GLY A 68 24.402 19.212 -8.507 1.00 54.22 O ATOM 0 H GLY A 68 25.642 16.386 -10.976 1.00 22.44 H new ATOM 0 HA2 GLY A 68 25.958 18.829 -10.814 1.00 22.44 H new ATOM 0 HA3 GLY A 68 24.238 19.003 -11.105 1.00 22.44 H new ATOM 742 N ILE A 69 24.863 17.014 -8.647 1.00 72.21 N ATOM 743 CA ILE A 69 24.636 16.765 -7.229 1.00 33.20 C ATOM 744 C ILE A 69 25.954 16.575 -6.486 1.00 71.43 C ATOM 745 O ILE A 69 26.671 15.600 -6.713 1.00 32.02 O ATOM 746 CB ILE A 69 23.752 15.522 -7.010 1.00 2.50 C ATOM 747 CG1 ILE A 69 22.498 15.602 -7.882 1.00 75.11 C ATOM 748 CG2 ILE A 69 23.376 15.392 -5.542 1.00 11.34 C ATOM 749 CD1 ILE A 69 21.570 14.419 -7.715 1.00 70.45 C ATOM 0 H ILE A 69 25.130 16.188 -9.183 1.00 72.21 H new ATOM 0 HA ILE A 69 24.122 17.641 -6.833 1.00 33.20 H new ATOM 0 HB ILE A 69 24.317 14.636 -7.300 1.00 2.50 H new ATOM 0 HG12 ILE A 69 21.955 16.516 -7.641 1.00 75.11 H new ATOM 0 HG13 ILE A 69 22.796 15.675 -8.928 1.00 75.11 H new ATOM 0 HG21 ILE A 69 22.752 14.509 -5.403 1.00 11.34 H new ATOM 0 HG22 ILE A 69 24.281 15.294 -4.942 1.00 11.34 H new ATOM 0 HG23 ILE A 69 22.826 16.279 -5.227 1.00 11.34 H new ATOM 0 HD11 ILE A 69 20.702 14.543 -8.363 1.00 70.45 H new ATOM 0 HD12 ILE A 69 22.096 13.503 -7.984 1.00 70.45 H new ATOM 0 HD13 ILE A 69 21.242 14.358 -6.677 1.00 70.45 H new ATOM 761 N SER A 70 26.266 17.512 -5.597 1.00 63.20 N ATOM 762 CA SER A 70 27.500 17.449 -4.821 1.00 74.14 C ATOM 763 C SER A 70 27.206 17.534 -3.327 1.00 22.23 C ATOM 764 O SER A 70 28.063 17.927 -2.536 1.00 65.11 O ATOM 765 CB SER A 70 28.444 18.580 -5.233 1.00 12.35 C ATOM 766 OG SER A 70 27.745 19.807 -5.360 1.00 61.53 O ATOM 0 H SER A 70 25.682 18.324 -5.396 1.00 63.20 H new ATOM 0 HA SER A 70 27.981 16.492 -5.025 1.00 74.14 H new ATOM 0 HB2 SER A 70 29.237 18.684 -4.492 1.00 12.35 H new ATOM 0 HB3 SER A 70 28.923 18.331 -6.180 1.00 12.35 H new ATOM 0 HG SER A 70 28.371 20.514 -5.622 1.00 61.53 H new ATOM 772 N ALA A 71 25.988 17.162 -2.947 1.00 40.11 N ATOM 773 CA ALA A 71 25.581 17.194 -1.548 1.00 32.01 C ATOM 774 C ALA A 71 25.858 15.859 -0.865 1.00 4.11 C ATOM 775 O ALA A 71 25.997 15.791 0.357 1.00 55.30 O ATOM 776 CB ALA A 71 24.106 17.550 -1.435 1.00 72.04 C ATOM 0 H ALA A 71 25.266 16.835 -3.589 1.00 40.11 H new ATOM 0 HA ALA A 71 26.168 17.960 -1.042 1.00 32.01 H new ATOM 0 HB1 ALA A 71 23.816 17.570 -0.384 1.00 72.04 H new ATOM 0 HB2 ALA A 71 23.933 18.531 -1.878 1.00 72.04 H new ATOM 0 HB3 ALA A 71 23.510 16.804 -1.962 1.00 72.04 H new ATOM 782 N THR A 72 25.938 14.797 -1.661 1.00 44.41 N ATOM 783 CA THR A 72 26.197 13.464 -1.133 1.00 64.12 C ATOM 784 C THR A 72 24.982 12.921 -0.391 1.00 32.31 C ATOM 785 O THR A 72 24.326 11.988 -0.853 1.00 21.23 O ATOM 786 CB THR A 72 27.409 13.462 -0.182 1.00 32.13 C ATOM 787 OG1 THR A 72 28.435 14.320 -0.693 1.00 71.23 O ATOM 788 CG2 THR A 72 27.958 12.054 -0.008 1.00 31.03 C ATOM 0 H THR A 72 25.827 14.835 -2.674 1.00 44.41 H new ATOM 0 HA THR A 72 26.414 12.822 -1.987 1.00 64.12 H new ATOM 0 HB THR A 72 27.080 13.829 0.790 1.00 32.13 H new ATOM 0 HG1 THR A 72 29.201 14.314 -0.082 1.00 71.23 H new ATOM 0 HG21 THR A 72 28.813 12.078 0.668 1.00 31.03 H new ATOM 0 HG22 THR A 72 27.184 11.411 0.409 1.00 31.03 H new ATOM 0 HG23 THR A 72 28.271 11.663 -0.976 1.00 31.03 H new ATOM 796 N GLY A 73 24.686 13.512 0.763 1.00 74.41 N ATOM 797 CA GLY A 73 23.548 13.073 1.550 1.00 2.23 C ATOM 798 C GLY A 73 22.255 13.091 0.760 1.00 14.43 C ATOM 799 O GLY A 73 21.313 12.365 1.080 1.00 20.00 O ATOM 0 H GLY A 73 25.213 14.286 1.167 1.00 74.41 H new ATOM 0 HA2 GLY A 73 23.732 12.063 1.917 1.00 2.23 H new ATOM 0 HA3 GLY A 73 23.445 13.716 2.424 1.00 2.23 H new ATOM 803 N HIS A 74 22.206 13.925 -0.274 1.00 63.01 N ATOM 804 CA HIS A 74 21.017 14.036 -1.112 1.00 24.32 C ATOM 805 C HIS A 74 21.040 12.995 -2.227 1.00 72.02 C ATOM 806 O HIS A 74 20.010 12.411 -2.565 1.00 22.42 O ATOM 807 CB HIS A 74 20.918 15.439 -1.710 1.00 1.31 C ATOM 808 CG HIS A 74 20.850 16.525 -0.681 1.00 12.41 C ATOM 809 ND1 HIS A 74 21.056 17.856 -0.977 1.00 2.44 N ATOM 810 CD2 HIS A 74 20.594 16.472 0.647 1.00 25.13 C ATOM 811 CE1 HIS A 74 20.933 18.574 0.125 1.00 14.35 C ATOM 812 NE2 HIS A 74 20.652 17.758 1.125 1.00 31.02 N ATOM 0 H HIS A 74 22.976 14.534 -0.552 1.00 63.01 H new ATOM 0 HA HIS A 74 20.143 13.854 -0.487 1.00 24.32 H new ATOM 0 HB2 HIS A 74 21.781 15.613 -2.353 1.00 1.31 H new ATOM 0 HB3 HIS A 74 20.032 15.494 -2.343 1.00 1.31 H new ATOM 0 HD2 HIS A 74 20.383 15.583 1.224 1.00 25.13 H new ATOM 0 HE1 HIS A 74 21.043 19.646 0.196 1.00 14.35 H new ATOM 0 HE2 HIS A 74 20.502 18.038 2.094 1.00 31.02 H new ATOM 820 N ARG A 75 22.220 12.769 -2.796 1.00 13.42 N ATOM 821 CA ARG A 75 22.375 11.801 -3.874 1.00 64.13 C ATOM 822 C ARG A 75 21.922 10.414 -3.429 1.00 24.52 C ATOM 823 O ARG A 75 21.119 9.766 -4.100 1.00 34.45 O ATOM 824 CB ARG A 75 23.833 11.749 -4.336 1.00 10.42 C ATOM 825 CG ARG A 75 24.033 10.991 -5.638 1.00 2.31 C ATOM 826 CD ARG A 75 25.432 11.201 -6.195 1.00 44.23 C ATOM 827 NE ARG A 75 26.466 10.868 -5.219 1.00 61.31 N ATOM 828 CZ ARG A 75 27.021 11.757 -4.403 1.00 53.11 C ATOM 829 NH1 ARG A 75 26.642 13.027 -4.446 1.00 4.13 N ATOM 830 NH2 ARG A 75 27.956 11.377 -3.542 1.00 34.43 N ATOM 0 H ARG A 75 23.082 13.243 -2.528 1.00 13.42 H new ATOM 0 HA ARG A 75 21.748 12.119 -4.707 1.00 64.13 H new ATOM 0 HB2 ARG A 75 24.203 12.767 -4.458 1.00 10.42 H new ATOM 0 HB3 ARG A 75 24.436 11.282 -3.557 1.00 10.42 H new ATOM 0 HG2 ARG A 75 23.862 9.927 -5.471 1.00 2.31 H new ATOM 0 HG3 ARG A 75 23.295 11.321 -6.370 1.00 2.31 H new ATOM 0 HD2 ARG A 75 25.563 10.587 -7.086 1.00 44.23 H new ATOM 0 HD3 ARG A 75 25.547 12.240 -6.504 1.00 44.23 H new ATOM 0 HE ARG A 75 26.779 9.899 -5.161 1.00 61.31 H new ATOM 0 HH11 ARG A 75 25.923 13.323 -5.106 1.00 4.13 H new ATOM 0 HH12 ARG A 75 27.069 13.708 -3.819 1.00 4.13 H new ATOM 0 HH21 ARG A 75 28.250 10.401 -3.506 1.00 34.43 H new ATOM 0 HH22 ARG A 75 28.381 12.061 -2.916 1.00 34.43 H new ATOM 844 N LYS A 76 22.444 9.963 -2.293 1.00 21.01 N ATOM 845 CA LYS A 76 22.094 8.653 -1.756 1.00 40.31 C ATOM 846 C LYS A 76 20.627 8.610 -1.339 1.00 43.45 C ATOM 847 O LYS A 76 20.057 7.536 -1.151 1.00 61.31 O ATOM 848 CB LYS A 76 22.985 8.315 -0.559 1.00 3.21 C ATOM 849 CG LYS A 76 24.470 8.353 -0.876 1.00 62.12 C ATOM 850 CD LYS A 76 25.311 8.359 0.389 1.00 10.15 C ATOM 851 CE LYS A 76 25.072 7.110 1.224 1.00 74.13 C ATOM 852 NZ LYS A 76 25.852 7.132 2.492 1.00 15.21 N ATOM 0 H LYS A 76 23.111 10.486 -1.726 1.00 21.01 H new ATOM 0 HA LYS A 76 22.253 7.913 -2.540 1.00 40.31 H new ATOM 0 HB2 LYS A 76 22.776 9.017 0.248 1.00 3.21 H new ATOM 0 HB3 LYS A 76 22.726 7.322 -0.193 1.00 3.21 H new ATOM 0 HG2 LYS A 76 24.735 7.489 -1.486 1.00 62.12 H new ATOM 0 HG3 LYS A 76 24.694 9.241 -1.467 1.00 62.12 H new ATOM 0 HD2 LYS A 76 26.366 8.425 0.125 1.00 10.15 H new ATOM 0 HD3 LYS A 76 25.074 9.244 0.980 1.00 10.15 H new ATOM 0 HE2 LYS A 76 24.010 7.024 1.453 1.00 74.13 H new ATOM 0 HE3 LYS A 76 25.346 6.228 0.645 1.00 74.13 H new ATOM 0 HZ1 LYS A 76 25.661 6.264 3.032 1.00 15.21 H new ATOM 0 HZ2 LYS A 76 26.867 7.188 2.274 1.00 15.21 H new ATOM 0 HZ3 LYS A 76 25.573 7.959 3.057 1.00 15.21 H new ATOM 866 N ARG A 77 20.022 9.785 -1.199 1.00 2.31 N ATOM 867 CA ARG A 77 18.622 9.881 -0.805 1.00 52.10 C ATOM 868 C ARG A 77 17.703 9.573 -1.984 1.00 2.11 C ATOM 869 O ARG A 77 16.566 9.138 -1.800 1.00 11.31 O ATOM 870 CB ARG A 77 18.318 11.277 -0.259 1.00 52.51 C ATOM 871 CG ARG A 77 16.984 11.372 0.463 1.00 31.03 C ATOM 872 CD ARG A 77 16.951 12.553 1.421 1.00 63.12 C ATOM 873 NE ARG A 77 17.624 12.254 2.682 1.00 31.41 N ATOM 874 CZ ARG A 77 17.838 13.156 3.633 1.00 14.01 C ATOM 875 NH1 ARG A 77 17.433 14.408 3.467 1.00 60.30 N ATOM 876 NH2 ARG A 77 18.457 12.807 4.754 1.00 73.14 N ATOM 0 H ARG A 77 20.480 10.684 -1.353 1.00 2.31 H new ATOM 0 HA ARG A 77 18.440 9.145 -0.022 1.00 52.10 H new ATOM 0 HB2 ARG A 77 19.114 11.571 0.425 1.00 52.51 H new ATOM 0 HB3 ARG A 77 18.327 11.990 -1.083 1.00 52.51 H new ATOM 0 HG2 ARG A 77 16.181 11.472 -0.267 1.00 31.03 H new ATOM 0 HG3 ARG A 77 16.801 10.450 1.014 1.00 31.03 H new ATOM 0 HD2 ARG A 77 17.427 13.414 0.951 1.00 63.12 H new ATOM 0 HD3 ARG A 77 15.916 12.830 1.619 1.00 63.12 H new ATOM 0 HE ARG A 77 17.948 11.300 2.841 1.00 31.41 H new ATOM 0 HH11 ARG A 77 16.956 14.680 2.607 1.00 60.30 H new ATOM 0 HH12 ARG A 77 17.599 15.099 4.199 1.00 60.30 H new ATOM 0 HH21 ARG A 77 18.769 11.845 4.886 1.00 73.14 H new ATOM 0 HH22 ARG A 77 18.621 13.501 5.483 1.00 73.14 H new ATOM 890 N ILE A 78 18.204 9.802 -3.193 1.00 61.11 N ATOM 891 CA ILE A 78 17.429 9.548 -4.401 1.00 52.31 C ATOM 892 C ILE A 78 17.534 8.087 -4.825 1.00 15.31 C ATOM 893 O ILE A 78 16.523 7.402 -4.985 1.00 33.32 O ATOM 894 CB ILE A 78 17.892 10.443 -5.566 1.00 0.54 C ATOM 895 CG1 ILE A 78 17.631 11.916 -5.241 1.00 21.31 C ATOM 896 CG2 ILE A 78 17.185 10.046 -6.853 1.00 22.12 C ATOM 897 CD1 ILE A 78 18.888 12.756 -5.195 1.00 52.43 C ATOM 0 H ILE A 78 19.143 10.163 -3.362 1.00 61.11 H new ATOM 0 HA ILE A 78 16.391 9.782 -4.164 1.00 52.31 H new ATOM 0 HB ILE A 78 18.964 10.305 -5.706 1.00 0.54 H new ATOM 0 HG12 ILE A 78 16.954 12.330 -5.988 1.00 21.31 H new ATOM 0 HG13 ILE A 78 17.123 11.983 -4.279 1.00 21.31 H new ATOM 0 HG21 ILE A 78 17.523 10.688 -7.667 1.00 22.12 H new ATOM 0 HG22 ILE A 78 17.416 9.008 -7.090 1.00 22.12 H new ATOM 0 HG23 ILE A 78 16.108 10.158 -6.726 1.00 22.12 H new ATOM 0 HD11 ILE A 78 18.628 13.788 -4.960 1.00 52.43 H new ATOM 0 HD12 ILE A 78 19.558 12.367 -4.428 1.00 52.43 H new ATOM 0 HD13 ILE A 78 19.386 12.719 -6.164 1.00 52.43 H new ATOM 909 N LEU A 79 18.762 7.616 -5.004 1.00 25.32 N ATOM 910 CA LEU A 79 19.001 6.234 -5.407 1.00 54.23 C ATOM 911 C LEU A 79 18.323 5.262 -4.447 1.00 61.10 C ATOM 912 O LEU A 79 17.832 4.210 -4.857 1.00 24.21 O ATOM 913 CB LEU A 79 20.503 5.950 -5.463 1.00 54.23 C ATOM 914 CG LEU A 79 21.256 6.551 -6.651 1.00 35.20 C ATOM 915 CD1 LEU A 79 22.668 6.942 -6.245 1.00 60.21 C ATOM 916 CD2 LEU A 79 21.285 5.571 -7.815 1.00 30.44 C ATOM 0 H LEU A 79 19.609 8.170 -4.877 1.00 25.32 H new ATOM 0 HA LEU A 79 18.574 6.092 -6.400 1.00 54.23 H new ATOM 0 HB2 LEU A 79 20.957 6.322 -4.545 1.00 54.23 H new ATOM 0 HB3 LEU A 79 20.648 4.870 -5.475 1.00 54.23 H new ATOM 0 HG LEU A 79 20.731 7.450 -6.973 1.00 35.20 H new ATOM 0 HD11 LEU A 79 23.189 7.368 -7.103 1.00 60.21 H new ATOM 0 HD12 LEU A 79 22.625 7.680 -5.444 1.00 60.21 H new ATOM 0 HD13 LEU A 79 23.204 6.059 -5.897 1.00 60.21 H new ATOM 0 HD21 LEU A 79 21.825 6.015 -8.651 1.00 30.44 H new ATOM 0 HD22 LEU A 79 21.786 4.654 -7.506 1.00 30.44 H new ATOM 0 HD23 LEU A 79 20.265 5.341 -8.123 1.00 30.44 H new ATOM 928 N ARG A 80 18.298 5.622 -3.168 1.00 43.20 N ATOM 929 CA ARG A 80 17.680 4.782 -2.149 1.00 51.15 C ATOM 930 C ARG A 80 16.189 4.603 -2.424 1.00 5.44 C ATOM 931 O ARG A 80 15.568 3.655 -1.942 1.00 50.21 O ATOM 932 CB ARG A 80 17.885 5.392 -0.762 1.00 15.34 C ATOM 933 CG ARG A 80 19.130 4.887 -0.052 1.00 32.33 C ATOM 934 CD ARG A 80 19.413 5.684 1.212 1.00 31.20 C ATOM 935 NE ARG A 80 19.667 4.818 2.360 1.00 65.40 N ATOM 936 CZ ARG A 80 19.597 5.229 3.621 1.00 14.00 C ATOM 937 NH1 ARG A 80 19.280 6.487 3.895 1.00 42.24 N ATOM 938 NH2 ARG A 80 19.842 4.381 4.612 1.00 61.04 N ATOM 0 H ARG A 80 18.699 6.490 -2.813 1.00 43.20 H new ATOM 0 HA ARG A 80 18.158 3.803 -2.181 1.00 51.15 H new ATOM 0 HB2 ARG A 80 17.946 6.476 -0.857 1.00 15.34 H new ATOM 0 HB3 ARG A 80 17.012 5.174 -0.146 1.00 15.34 H new ATOM 0 HG2 ARG A 80 19.004 3.834 0.201 1.00 32.33 H new ATOM 0 HG3 ARG A 80 19.985 4.953 -0.724 1.00 32.33 H new ATOM 0 HD2 ARG A 80 20.275 6.330 1.048 1.00 31.20 H new ATOM 0 HD3 ARG A 80 18.565 6.333 1.429 1.00 31.20 H new ATOM 0 HE ARG A 80 19.912 3.844 2.184 1.00 65.40 H new ATOM 0 HH11 ARG A 80 19.089 7.142 3.136 1.00 42.24 H new ATOM 0 HH12 ARG A 80 19.227 6.800 4.864 1.00 42.24 H new ATOM 0 HH21 ARG A 80 20.085 3.412 4.406 1.00 61.04 H new ATOM 0 HH22 ARG A 80 19.788 4.698 5.580 1.00 61.04 H new ATOM 952 N LEU A 81 15.622 5.521 -3.199 1.00 32.40 N ATOM 953 CA LEU A 81 14.204 5.465 -3.537 1.00 52.22 C ATOM 954 C LEU A 81 13.990 4.765 -4.875 1.00 62.04 C ATOM 955 O LEU A 81 12.974 4.101 -5.086 1.00 1.22 O ATOM 956 CB LEU A 81 13.616 6.876 -3.587 1.00 52.45 C ATOM 957 CG LEU A 81 12.098 6.966 -3.753 1.00 63.30 C ATOM 958 CD1 LEU A 81 11.421 7.102 -2.398 1.00 53.24 C ATOM 959 CD2 LEU A 81 11.728 8.133 -4.657 1.00 22.14 C ATOM 0 H LEU A 81 16.122 6.312 -3.605 1.00 32.40 H new ATOM 0 HA LEU A 81 13.694 4.892 -2.763 1.00 52.22 H new ATOM 0 HB2 LEU A 81 13.892 7.396 -2.670 1.00 52.45 H new ATOM 0 HB3 LEU A 81 14.084 7.414 -4.411 1.00 52.45 H new ATOM 0 HG LEU A 81 11.747 6.046 -4.221 1.00 63.30 H new ATOM 0 HD11 LEU A 81 10.342 7.165 -2.535 1.00 53.24 H new ATOM 0 HD12 LEU A 81 11.659 6.234 -1.784 1.00 53.24 H new ATOM 0 HD13 LEU A 81 11.777 8.005 -1.903 1.00 53.24 H new ATOM 0 HD21 LEU A 81 10.644 8.181 -4.764 1.00 22.14 H new ATOM 0 HD22 LEU A 81 12.091 9.062 -4.218 1.00 22.14 H new ATOM 0 HD23 LEU A 81 12.183 7.992 -5.637 1.00 22.14 H new ATOM 971 N LEU A 82 14.955 4.916 -5.776 1.00 74.54 N ATOM 972 CA LEU A 82 14.874 4.296 -7.095 1.00 33.45 C ATOM 973 C LEU A 82 14.776 2.778 -6.977 1.00 62.15 C ATOM 974 O LEU A 82 14.051 2.134 -7.734 1.00 75.52 O ATOM 975 CB LEU A 82 16.094 4.676 -7.935 1.00 1.44 C ATOM 976 CG LEU A 82 15.847 4.860 -9.432 1.00 61.45 C ATOM 977 CD1 LEU A 82 17.140 5.221 -10.146 1.00 43.54 C ATOM 978 CD2 LEU A 82 15.240 3.599 -10.031 1.00 41.00 C ATOM 0 H LEU A 82 15.802 5.462 -5.618 1.00 74.54 H new ATOM 0 HA LEU A 82 13.974 4.663 -7.588 1.00 33.45 H new ATOM 0 HB2 LEU A 82 16.508 5.603 -7.539 1.00 1.44 H new ATOM 0 HB3 LEU A 82 16.854 3.906 -7.805 1.00 1.44 H new ATOM 0 HG LEU A 82 15.141 5.679 -9.566 1.00 61.45 H new ATOM 0 HD11 LEU A 82 16.944 5.348 -11.211 1.00 43.54 H new ATOM 0 HD12 LEU A 82 17.535 6.151 -9.736 1.00 43.54 H new ATOM 0 HD13 LEU A 82 17.869 4.423 -10.004 1.00 43.54 H new ATOM 0 HD21 LEU A 82 15.071 3.748 -11.097 1.00 41.00 H new ATOM 0 HD22 LEU A 82 15.923 2.762 -9.885 1.00 41.00 H new ATOM 0 HD23 LEU A 82 14.291 3.383 -9.540 1.00 41.00 H new ATOM 990 N GLN A 83 15.510 2.215 -6.023 1.00 61.22 N ATOM 991 CA GLN A 83 15.505 0.773 -5.807 1.00 35.15 C ATOM 992 C GLN A 83 14.124 0.293 -5.371 1.00 10.23 C ATOM 993 O GLN A 83 13.582 -0.663 -5.927 1.00 42.41 O ATOM 994 CB GLN A 83 16.546 0.390 -4.754 1.00 3.01 C ATOM 995 CG GLN A 83 17.979 0.494 -5.250 1.00 44.52 C ATOM 996 CD GLN A 83 18.996 0.223 -4.159 1.00 21.11 C ATOM 997 OE1 GLN A 83 19.584 -0.857 -4.097 1.00 62.12 O ATOM 998 NE2 GLN A 83 19.209 1.204 -3.290 1.00 50.52 N ATOM 0 H GLN A 83 16.115 2.735 -5.388 1.00 61.22 H new ATOM 0 HA GLN A 83 15.757 0.289 -6.750 1.00 35.15 H new ATOM 0 HB2 GLN A 83 16.424 1.034 -3.883 1.00 3.01 H new ATOM 0 HB3 GLN A 83 16.358 -0.632 -4.424 1.00 3.01 H new ATOM 0 HG2 GLN A 83 18.129 -0.214 -6.065 1.00 44.52 H new ATOM 0 HG3 GLN A 83 18.147 1.491 -5.658 1.00 44.52 H new ATOM 0 HE21 GLN A 83 18.700 2.083 -3.379 1.00 50.52 H new ATOM 0 HE22 GLN A 83 19.882 1.078 -2.534 1.00 50.52 H new ATOM 1007 N THR A 84 13.559 0.963 -4.371 1.00 35.31 N ATOM 1008 CA THR A 84 12.242 0.604 -3.859 1.00 51.21 C ATOM 1009 C THR A 84 12.077 -0.909 -3.779 1.00 34.11 C ATOM 1010 O THR A 84 11.009 -1.443 -4.076 1.00 61.45 O ATOM 1011 CB THR A 84 11.119 1.186 -4.739 1.00 65.11 C ATOM 1012 OG1 THR A 84 9.842 0.891 -4.163 1.00 3.04 O ATOM 1013 CG2 THR A 84 11.188 0.619 -6.149 1.00 23.40 C ATOM 0 H THR A 84 13.993 1.757 -3.900 1.00 35.31 H new ATOM 0 HA THR A 84 12.166 1.028 -2.858 1.00 51.21 H new ATOM 0 HB THR A 84 11.252 2.267 -4.792 1.00 65.11 H new ATOM 0 HG1 THR A 84 9.766 -0.074 -4.013 1.00 3.04 H new ATOM 0 HG21 THR A 84 10.386 1.044 -6.752 1.00 23.40 H new ATOM 0 HG22 THR A 84 12.150 0.871 -6.596 1.00 23.40 H new ATOM 0 HG23 THR A 84 11.078 -0.465 -6.111 1.00 23.40 H new ATOM 1021 N GLY A 85 13.141 -1.596 -3.374 1.00 11.30 N ATOM 1022 CA GLY A 85 13.092 -3.042 -3.261 1.00 41.35 C ATOM 1023 C GLY A 85 14.023 -3.572 -2.189 1.00 42.51 C ATOM 1024 O GLY A 85 13.657 -4.463 -1.422 1.00 40.04 O ATOM 0 H GLY A 85 14.036 -1.177 -3.122 1.00 11.30 H new ATOM 0 HA2 GLY A 85 12.071 -3.351 -3.037 1.00 41.35 H new ATOM 0 HA3 GLY A 85 13.356 -3.487 -4.220 1.00 41.35 H new ATOM 1028 N THR A 86 15.233 -3.023 -2.134 1.00 63.44 N ATOM 1029 CA THR A 86 16.221 -3.448 -1.150 1.00 71.04 C ATOM 1030 C THR A 86 16.886 -2.248 -0.486 1.00 20.11 C ATOM 1031 O THR A 86 17.014 -1.184 -1.091 1.00 72.42 O ATOM 1032 CB THR A 86 17.307 -4.333 -1.790 1.00 72.43 C ATOM 1033 OG1 THR A 86 18.361 -4.572 -0.851 1.00 32.02 O ATOM 1034 CG2 THR A 86 17.874 -3.677 -3.040 1.00 14.41 C ATOM 0 H THR A 86 15.552 -2.283 -2.759 1.00 63.44 H new ATOM 0 HA THR A 86 15.688 -4.028 -0.397 1.00 71.04 H new ATOM 0 HB THR A 86 16.850 -5.282 -2.072 1.00 72.43 H new ATOM 0 HG1 THR A 86 19.046 -5.137 -1.265 1.00 32.02 H new ATOM 0 HG21 THR A 86 18.639 -4.321 -3.474 1.00 14.41 H new ATOM 0 HG22 THR A 86 17.075 -3.524 -3.765 1.00 14.41 H new ATOM 0 HG23 THR A 86 18.315 -2.715 -2.778 1.00 14.41 H new ATOM 1042 N GLU A 87 17.308 -2.427 0.762 1.00 63.11 N ATOM 1043 CA GLU A 87 17.961 -1.357 1.508 1.00 74.33 C ATOM 1044 C GLU A 87 18.653 -1.905 2.752 1.00 21.51 C ATOM 1045 O GLU A 87 18.067 -2.677 3.511 1.00 3.43 O ATOM 1046 CB GLU A 87 16.941 -0.289 1.907 1.00 11.31 C ATOM 1047 CG GLU A 87 15.692 -0.854 2.562 1.00 10.25 C ATOM 1048 CD GLU A 87 14.724 0.227 3.002 1.00 11.25 C ATOM 1049 OE1 GLU A 87 15.149 1.397 3.106 1.00 22.14 O ATOM 1050 OE2 GLU A 87 13.542 -0.096 3.243 1.00 21.00 O ATOM 0 H GLU A 87 17.210 -3.302 1.277 1.00 63.11 H new ATOM 0 HA GLU A 87 18.715 -0.906 0.863 1.00 74.33 H new ATOM 0 HB2 GLU A 87 17.414 0.415 2.592 1.00 11.31 H new ATOM 0 HB3 GLU A 87 16.652 0.275 1.020 1.00 11.31 H new ATOM 0 HG2 GLU A 87 15.190 -1.523 1.863 1.00 10.25 H new ATOM 0 HG3 GLU A 87 15.979 -1.453 3.426 1.00 10.25 H new ATOM 1057 N GLU A 88 19.904 -1.501 2.953 1.00 75.41 N ATOM 1058 CA GLU A 88 20.676 -1.953 4.104 1.00 21.30 C ATOM 1059 C GLU A 88 21.760 -0.941 4.463 1.00 11.13 C ATOM 1060 O GLU A 88 22.054 -0.030 3.691 1.00 41.31 O ATOM 1061 CB GLU A 88 21.311 -3.316 3.817 1.00 15.14 C ATOM 1062 CG GLU A 88 22.615 -3.229 3.043 1.00 73.25 C ATOM 1063 CD GLU A 88 23.002 -4.549 2.404 1.00 45.43 C ATOM 1064 OE1 GLU A 88 23.197 -5.533 3.148 1.00 44.43 O ATOM 1065 OE2 GLU A 88 23.111 -4.597 1.161 1.00 63.33 O ATOM 0 H GLU A 88 20.403 -0.862 2.334 1.00 75.41 H new ATOM 0 HA GLU A 88 19.996 -2.048 4.951 1.00 21.30 H new ATOM 0 HB2 GLU A 88 21.492 -3.829 4.761 1.00 15.14 H new ATOM 0 HB3 GLU A 88 20.604 -3.925 3.254 1.00 15.14 H new ATOM 0 HG2 GLU A 88 22.524 -2.467 2.269 1.00 73.25 H new ATOM 0 HG3 GLU A 88 23.411 -2.907 3.714 1.00 73.25 H new ATOM 1072 N GLY A 89 22.350 -1.108 5.643 1.00 63.11 N ATOM 1073 CA GLY A 89 23.394 -0.202 6.085 1.00 1.11 C ATOM 1074 C GLY A 89 22.871 0.876 7.014 1.00 61.12 C ATOM 1075 O GLY A 89 23.240 2.044 6.890 1.00 20.23 O ATOM 0 H GLY A 89 22.124 -1.854 6.300 1.00 63.11 H new ATOM 0 HA2 GLY A 89 24.172 -0.770 6.595 1.00 1.11 H new ATOM 0 HA3 GLY A 89 23.857 0.265 5.216 1.00 1.11 H new ATOM 1079 N SER A 90 22.008 0.484 7.945 1.00 12.35 N ATOM 1080 CA SER A 90 21.429 1.427 8.895 1.00 34.14 C ATOM 1081 C SER A 90 21.803 1.055 10.327 1.00 72.31 C ATOM 1082 O SER A 90 22.263 1.896 11.100 1.00 53.32 O ATOM 1083 CB SER A 90 19.906 1.463 8.747 1.00 23.41 C ATOM 1084 OG SER A 90 19.364 0.153 8.737 1.00 41.44 O ATOM 0 H SER A 90 21.694 -0.479 8.062 1.00 12.35 H new ATOM 0 HA SER A 90 21.832 2.416 8.678 1.00 34.14 H new ATOM 0 HB2 SER A 90 19.471 2.034 9.567 1.00 23.41 H new ATOM 0 HB3 SER A 90 19.639 1.978 7.824 1.00 23.41 H new ATOM 0 HG SER A 90 18.390 0.203 8.643 1.00 41.44 H new ATOM 1090 N LEU A 91 21.602 -0.212 10.674 1.00 44.15 N ATOM 1091 CA LEU A 91 21.918 -0.698 12.012 1.00 3.02 C ATOM 1092 C LEU A 91 21.008 -0.056 13.054 1.00 54.33 C ATOM 1093 O LEU A 91 20.054 -0.675 13.525 1.00 14.11 O ATOM 1094 CB LEU A 91 23.382 -0.408 12.349 1.00 12.34 C ATOM 1095 CG LEU A 91 24.316 -1.618 12.381 1.00 42.34 C ATOM 1096 CD1 LEU A 91 23.938 -2.555 13.516 1.00 33.35 C ATOM 1097 CD2 LEU A 91 24.283 -2.351 11.048 1.00 65.23 C ATOM 0 H LEU A 91 21.222 -0.921 10.047 1.00 44.15 H new ATOM 0 HA LEU A 91 21.754 -1.776 12.028 1.00 3.02 H new ATOM 0 HB2 LEU A 91 23.768 0.304 11.619 1.00 12.34 H new ATOM 0 HB3 LEU A 91 23.420 0.081 13.323 1.00 12.34 H new ATOM 0 HG LEU A 91 25.332 -1.264 12.554 1.00 42.34 H new ATOM 0 HD11 LEU A 91 24.614 -3.410 13.522 1.00 33.35 H new ATOM 0 HD12 LEU A 91 24.014 -2.025 14.466 1.00 33.35 H new ATOM 0 HD13 LEU A 91 22.915 -2.903 13.375 1.00 33.35 H new ATOM 0 HD21 LEU A 91 24.953 -3.209 11.088 1.00 65.23 H new ATOM 0 HD22 LEU A 91 23.268 -2.692 10.846 1.00 65.23 H new ATOM 0 HD23 LEU A 91 24.604 -1.677 10.254 1.00 65.23 H new ATOM 1109 N ASP A 92 21.307 1.189 13.407 1.00 43.43 N ATOM 1110 CA ASP A 92 20.514 1.917 14.390 1.00 12.40 C ATOM 1111 C ASP A 92 20.255 3.348 13.928 1.00 71.02 C ATOM 1112 O ASP A 92 20.949 3.882 13.063 1.00 43.13 O ATOM 1113 CB ASP A 92 21.224 1.926 15.744 1.00 2.55 C ATOM 1114 CG ASP A 92 20.761 0.801 16.649 1.00 42.14 C ATOM 1115 OD1 ASP A 92 20.714 -0.356 16.180 1.00 54.31 O ATOM 1116 OD2 ASP A 92 20.447 1.077 17.825 1.00 22.12 O ATOM 0 H ASP A 92 22.093 1.715 13.027 1.00 43.43 H new ATOM 0 HA ASP A 92 19.555 1.409 14.495 1.00 12.40 H new ATOM 0 HB2 ASP A 92 22.299 1.843 15.587 1.00 2.55 H new ATOM 0 HB3 ASP A 92 21.047 2.882 16.237 1.00 2.55 H new ATOM 1121 N PRO A 93 19.231 3.984 14.516 1.00 2.22 N ATOM 1122 CA PRO A 93 18.857 5.361 14.180 1.00 14.03 C ATOM 1123 C PRO A 93 19.890 6.376 14.658 1.00 74.11 C ATOM 1124 O PRO A 93 20.012 7.464 14.096 1.00 43.34 O ATOM 1125 CB PRO A 93 17.531 5.559 14.920 1.00 21.41 C ATOM 1126 CG PRO A 93 17.583 4.595 16.055 1.00 64.11 C ATOM 1127 CD PRO A 93 18.361 3.409 15.555 1.00 32.43 C ATOM 0 HA PRO A 93 18.787 5.513 13.103 1.00 14.03 H new ATOM 0 HB2 PRO A 93 17.425 6.584 15.276 1.00 21.41 H new ATOM 0 HB3 PRO A 93 16.680 5.358 14.269 1.00 21.41 H new ATOM 0 HG2 PRO A 93 18.067 5.041 16.924 1.00 64.11 H new ATOM 0 HG3 PRO A 93 16.580 4.302 16.364 1.00 64.11 H new ATOM 0 HD2 PRO A 93 18.941 2.944 16.352 1.00 32.43 H new ATOM 0 HD3 PRO A 93 17.704 2.640 15.148 1.00 32.43 H new ATOM 1135 N LYS A 94 20.632 6.013 15.699 1.00 74.24 N ATOM 1136 CA LYS A 94 21.656 6.890 16.252 1.00 42.43 C ATOM 1137 C LYS A 94 22.914 6.103 16.606 1.00 73.01 C ATOM 1138 O LYS A 94 22.842 4.925 16.954 1.00 20.43 O ATOM 1139 CB LYS A 94 21.125 7.609 17.494 1.00 51.10 C ATOM 1140 CG LYS A 94 20.597 6.667 18.562 1.00 15.31 C ATOM 1141 CD LYS A 94 20.234 7.415 19.834 1.00 34.34 C ATOM 1142 CE LYS A 94 19.953 6.457 20.982 1.00 4.25 C ATOM 1143 NZ LYS A 94 18.830 5.531 20.671 1.00 72.14 N ATOM 0 H LYS A 94 20.543 5.116 16.177 1.00 74.24 H new ATOM 0 HA LYS A 94 21.913 7.630 15.494 1.00 42.43 H new ATOM 0 HB2 LYS A 94 21.923 8.218 17.920 1.00 51.10 H new ATOM 0 HB3 LYS A 94 20.328 8.291 17.196 1.00 51.10 H new ATOM 0 HG2 LYS A 94 19.720 6.142 18.184 1.00 15.31 H new ATOM 0 HG3 LYS A 94 21.349 5.910 18.786 1.00 15.31 H new ATOM 0 HD2 LYS A 94 21.049 8.085 20.109 1.00 34.34 H new ATOM 0 HD3 LYS A 94 19.357 8.037 19.654 1.00 34.34 H new ATOM 0 HE2 LYS A 94 20.851 5.878 21.200 1.00 4.25 H new ATOM 0 HE3 LYS A 94 19.715 7.027 21.880 1.00 4.25 H new ATOM 0 HZ1 LYS A 94 18.604 4.965 21.513 1.00 72.14 H new ATOM 0 HZ2 LYS A 94 17.994 6.082 20.389 1.00 72.14 H new ATOM 0 HZ3 LYS A 94 19.107 4.899 19.893 1.00 72.14 H new ATOM 1157 N SER A 95 24.064 6.762 16.516 1.00 44.24 N ATOM 1158 CA SER A 95 25.338 6.123 16.824 1.00 30.24 C ATOM 1159 C SER A 95 26.470 7.145 16.836 1.00 4.11 C ATOM 1160 O SER A 95 27.403 7.065 16.036 1.00 75.41 O ATOM 1161 CB SER A 95 25.640 5.022 15.806 1.00 22.20 C ATOM 1162 OG SER A 95 25.666 5.540 14.487 1.00 10.03 O ATOM 0 H SER A 95 24.140 7.739 16.232 1.00 44.24 H new ATOM 0 HA SER A 95 25.263 5.679 17.817 1.00 30.24 H new ATOM 0 HB2 SER A 95 26.600 4.561 16.038 1.00 22.20 H new ATOM 0 HB3 SER A 95 24.885 4.239 15.878 1.00 22.20 H new ATOM 0 HG SER A 95 26.393 6.192 14.406 1.00 10.03 H new ATOM 1168 N ASP A 96 26.382 8.106 17.749 1.00 31.12 N ATOM 1169 CA ASP A 96 27.399 9.145 17.867 1.00 33.53 C ATOM 1170 C ASP A 96 27.991 9.168 19.273 1.00 15.31 C ATOM 1171 O ASP A 96 29.203 9.290 19.445 1.00 43.12 O ATOM 1172 CB ASP A 96 26.803 10.512 17.528 1.00 64.10 C ATOM 1173 CG ASP A 96 25.542 10.806 18.316 1.00 71.21 C ATOM 1174 OD1 ASP A 96 24.506 10.166 18.038 1.00 31.32 O ATOM 1175 OD2 ASP A 96 25.591 11.675 19.211 1.00 51.23 O ATOM 0 H ASP A 96 25.617 8.187 18.418 1.00 31.12 H new ATOM 0 HA ASP A 96 28.197 8.920 17.160 1.00 33.53 H new ATOM 0 HB2 ASP A 96 27.542 11.287 17.729 1.00 64.10 H new ATOM 0 HB3 ASP A 96 26.580 10.553 16.462 1.00 64.10 H new ATOM 1180 N SER A 97 27.126 9.052 20.276 1.00 53.22 N ATOM 1181 CA SER A 97 27.562 9.065 21.667 1.00 2.31 C ATOM 1182 C SER A 97 28.399 10.306 21.962 1.00 3.32 C ATOM 1183 O SER A 97 29.510 10.210 22.483 1.00 61.32 O ATOM 1184 CB SER A 97 28.370 7.805 21.982 1.00 32.22 C ATOM 1185 OG SER A 97 27.516 6.712 22.275 1.00 2.34 O ATOM 0 H SER A 97 26.119 8.948 20.151 1.00 53.22 H new ATOM 0 HA SER A 97 26.675 9.087 22.300 1.00 2.31 H new ATOM 0 HB2 SER A 97 29.007 7.556 21.133 1.00 32.22 H new ATOM 0 HB3 SER A 97 29.028 7.994 22.830 1.00 32.22 H new ATOM 0 HG SER A 97 28.056 5.918 22.471 1.00 2.34 H new ATOM 1191 N ALA A 98 27.857 11.472 21.625 1.00 20.11 N ATOM 1192 CA ALA A 98 28.552 12.733 21.855 1.00 34.51 C ATOM 1193 C ALA A 98 28.215 13.302 23.229 1.00 53.32 C ATOM 1194 O ALA A 98 27.160 13.907 23.419 1.00 75.44 O ATOM 1195 CB ALA A 98 28.201 13.735 20.765 1.00 30.23 C ATOM 0 H ALA A 98 26.939 11.570 21.192 1.00 20.11 H new ATOM 0 HA ALA A 98 29.624 12.540 21.824 1.00 34.51 H new ATOM 0 HB1 ALA A 98 28.727 14.672 20.949 1.00 30.23 H new ATOM 0 HB2 ALA A 98 28.498 13.337 19.795 1.00 30.23 H new ATOM 0 HB3 ALA A 98 27.126 13.915 20.769 1.00 30.23 H new ATOM 1201 N MET A 99 29.118 13.105 24.184 1.00 54.12 N ATOM 1202 CA MET A 99 28.915 13.600 25.540 1.00 1.44 C ATOM 1203 C MET A 99 29.726 14.870 25.782 1.00 31.45 C ATOM 1204 O MET A 99 30.742 15.102 25.128 1.00 75.43 O ATOM 1205 CB MET A 99 29.306 12.529 26.561 1.00 54.42 C ATOM 1206 CG MET A 99 28.165 11.592 26.925 1.00 45.25 C ATOM 1207 SD MET A 99 28.507 10.625 28.407 1.00 4.25 S ATOM 1208 CE MET A 99 28.232 11.852 29.683 1.00 53.22 C ATOM 0 H MET A 99 29.997 12.606 24.044 1.00 54.12 H new ATOM 0 HA MET A 99 27.858 13.837 25.659 1.00 1.44 H new ATOM 0 HB2 MET A 99 30.134 11.943 26.162 1.00 54.42 H new ATOM 0 HB3 MET A 99 29.668 13.016 27.466 1.00 54.42 H new ATOM 0 HG2 MET A 99 27.256 12.174 27.077 1.00 45.25 H new ATOM 0 HG3 MET A 99 27.975 10.917 26.091 1.00 45.25 H new ATOM 0 HE1 MET A 99 29.073 11.850 30.377 1.00 53.22 H new ATOM 0 HE2 MET A 99 28.140 12.837 29.226 1.00 53.22 H new ATOM 0 HE3 MET A 99 27.315 11.616 30.224 1.00 53.22 H new ATOM 1218 N GLU A 100 29.270 15.687 26.726 1.00 12.14 N ATOM 1219 CA GLU A 100 29.954 16.933 27.053 1.00 55.04 C ATOM 1220 C GLU A 100 31.430 16.683 27.345 1.00 62.12 C ATOM 1221 O GLU A 100 32.303 17.366 26.810 1.00 11.14 O ATOM 1222 CB GLU A 100 29.291 17.604 28.257 1.00 15.22 C ATOM 1223 CG GLU A 100 29.249 16.726 29.497 1.00 51.24 C ATOM 1224 CD GLU A 100 28.035 16.998 30.364 1.00 40.22 C ATOM 1225 OE1 GLU A 100 26.936 16.518 30.015 1.00 44.10 O ATOM 1226 OE2 GLU A 100 28.184 17.691 31.392 1.00 45.41 O ATOM 0 H GLU A 100 28.431 15.509 27.277 1.00 12.14 H new ATOM 0 HA GLU A 100 29.879 17.595 26.191 1.00 55.04 H new ATOM 0 HB2 GLU A 100 29.828 18.523 28.491 1.00 15.22 H new ATOM 0 HB3 GLU A 100 28.273 17.889 27.989 1.00 15.22 H new ATOM 0 HG2 GLU A 100 29.248 15.678 29.196 1.00 51.24 H new ATOM 0 HG3 GLU A 100 30.153 16.889 30.083 1.00 51.24 H new TER 1233 GLU A 100