USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 957 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 45 TYR OH : rot 103:sc= 1.03 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -120:sc= 1.15 (180deg=-0.339) USER MOD Set 2.1: A 86 ASN : amide:sc= 0.015 K(o=0.18,f=-3.6!) USER MOD Set 2.2: A 112 LYS NZ :NH3+ 148:sc= 0.162 (180deg=0) USER MOD Set 3.1: A 71 SER OG : rot -140:sc= 0.728 USER MOD Set 3.2: A 90 LYS NZ :NH3+ 154:sc= 1.14 (180deg=0) USER MOD Set 4.1: A 55 SER OG : rot -126:sc= 0.309 USER MOD Set 4.2: A 66 TYR OH : rot 180:sc= 0.0133 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= 0.199 K(o=0.2,f=-1.9!) USER MOD Single : A 42 SER OG : rot 129:sc= 1.3 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=2.81e-05 (180deg=0) USER MOD Single : A 47 SER OG : rot 129:sc= 0.431 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 57 ASN : amide:sc= -2.7! C(o=-2.7!,f=-14!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.06 USER MOD Single : A 64 ASN : amide:sc= -0.826! K(o=-0.83!,f=0) USER MOD Single : A 67 SER OG : rot -174:sc= -1.96! USER MOD Single : A 68 LYS NZ :NH3+ -123:sc= 1.34 (180deg=-0.57) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.144) USER MOD Single : A 76 TYR OH : rot 150:sc= -2.83! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -0.0224 (180deg=-0.231) USER MOD Single : A 84 MET CE :methyl 154:sc= -0.0416 (180deg=-1.06) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -6.94! C(o=-6.9!,f=-8!) USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= 0.208 (180deg=-0.136) USER MOD Single : A 106 LYS NZ :NH3+ 140:sc= 1.62 (180deg=1.19) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -174:sc= -7.46! (180deg=-7.81!) USER MOD Single : A 118 LYS NZ :NH3+ 179:sc= 0.332 (180deg=0.326) USER MOD Single : A 125 THR OG1 : rot 33:sc= 0.132 USER MOD Single : A 130 LYS NZ :NH3+ -159:sc= 0.9 (180deg=0.115!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 555 THR OG1 : rot -173:sc= 0.357 USER MOD Single : B 556 THR OG1 : rot -84:sc= 1.21 USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 563 SER OG : rot 180:sc= 0.00857 USER MOD Single : B 566 SER OG : rot 93:sc= 1.3 USER MOD Single : B 567 TYR OH : rot 30:sc= 0 USER MOD Single : B 569 ASN : amide:sc= -2.39 K(o=-2.4,f=-1.3) USER MOD Single : B 570 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -2.082 5.601 10.349 1.00 0.62 N ATOM 77 CA LYS A 34 -1.998 4.185 10.567 1.00 0.54 C ATOM 78 C LYS A 34 -0.828 3.607 9.777 1.00 0.43 C ATOM 79 O LYS A 34 -0.909 3.472 8.556 1.00 0.53 O ATOM 80 CB LYS A 34 -3.309 3.574 10.095 1.00 0.66 C ATOM 81 CG LYS A 34 -4.219 3.135 11.220 1.00 0.83 C ATOM 82 CD LYS A 34 -5.065 4.268 11.765 1.00 0.84 C ATOM 83 CE LYS A 34 -5.976 3.764 12.869 1.00 0.90 C ATOM 84 NZ LYS A 34 -6.694 4.869 13.555 1.00 1.23 N ATOM 0 HA LYS A 34 -1.833 3.963 11.621 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.836 4.301 9.477 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -3.091 2.715 9.461 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -4.872 2.339 10.863 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -3.617 2.716 12.026 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -4.421 5.059 12.149 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -5.661 4.703 10.963 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -6.702 3.068 12.449 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -5.387 3.208 13.598 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -7.304 4.477 14.301 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -6.004 5.521 13.980 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -7.278 5.384 12.866 1.00 1.23 H new ATOM 98 N GLU A 35 0.258 3.281 10.463 1.00 0.43 N ATOM 99 CA GLU A 35 1.461 2.826 9.788 1.00 0.48 C ATOM 100 C GLU A 35 1.345 1.358 9.366 1.00 0.40 C ATOM 101 O GLU A 35 1.306 0.444 10.194 1.00 0.55 O ATOM 102 CB GLU A 35 2.711 3.071 10.661 1.00 0.75 C ATOM 103 CG GLU A 35 2.879 2.156 11.873 1.00 1.06 C ATOM 104 CD GLU A 35 1.874 2.387 12.989 1.00 1.35 C ATOM 105 OE1 GLU A 35 1.141 3.401 12.922 1.00 1.83 O ATOM 106 OE2 GLU A 35 1.788 1.558 13.920 1.00 1.86 O ATOM 0 H GLU A 35 0.329 3.323 11.480 1.00 0.43 H new ATOM 0 HA GLU A 35 1.575 3.413 8.877 1.00 0.48 H new ATOM 0 HB2 GLU A 35 3.594 2.969 10.030 1.00 0.75 H new ATOM 0 HB3 GLU A 35 2.687 4.103 11.012 1.00 0.75 H new ATOM 0 HG2 GLU A 35 2.802 1.120 11.542 1.00 1.06 H new ATOM 0 HG3 GLU A 35 3.884 2.289 12.274 1.00 1.06 H new ATOM 113 N TRP A 36 1.253 1.139 8.065 1.00 0.28 N ATOM 114 CA TRP A 36 1.211 -0.203 7.515 1.00 0.25 C ATOM 115 C TRP A 36 2.613 -0.624 7.076 1.00 0.26 C ATOM 116 O TRP A 36 3.262 0.074 6.298 1.00 0.40 O ATOM 117 CB TRP A 36 0.272 -0.282 6.305 1.00 0.26 C ATOM 118 CG TRP A 36 -1.115 0.273 6.511 1.00 0.19 C ATOM 119 CD1 TRP A 36 -1.783 1.106 5.656 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.010 0.035 7.611 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.034 1.389 6.147 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.196 0.750 7.343 1.00 0.27 C ATOM 123 CE3 TRP A 36 -1.931 -0.708 8.790 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.288 0.741 8.203 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.018 -0.715 9.647 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.182 0.003 9.348 1.00 1.19 C ATOM 0 H TRP A 36 1.206 1.881 7.366 1.00 0.28 H new ATOM 0 HA TRP A 36 0.838 -0.870 8.293 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.736 0.250 5.474 1.00 0.26 H new ATOM 0 HB3 TRP A 36 0.184 -1.326 6.005 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.384 1.487 4.728 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -3.729 1.981 5.692 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.038 -1.267 9.029 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.186 1.296 7.975 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -2.967 -1.285 10.563 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.013 -0.027 10.037 1.00 1.19 H new ATOM 137 N HIS A 37 3.074 -1.755 7.580 1.00 0.25 N ATOM 138 CA HIS A 37 4.373 -2.296 7.187 1.00 0.25 C ATOM 139 C HIS A 37 4.244 -3.083 5.889 1.00 0.24 C ATOM 140 O HIS A 37 3.682 -4.174 5.883 1.00 0.30 O ATOM 141 CB HIS A 37 4.929 -3.200 8.291 1.00 0.29 C ATOM 142 CG HIS A 37 5.487 -2.454 9.466 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.807 -2.060 9.561 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.892 -2.036 10.606 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.993 -1.436 10.708 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.848 -1.405 11.360 1.00 0.56 N ATOM 0 H HIS A 37 2.571 -2.321 8.264 1.00 0.25 H new ATOM 0 HA HIS A 37 5.062 -1.465 7.032 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.136 -3.863 8.638 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.711 -3.832 7.870 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.525 -2.225 8.856 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.855 -2.174 10.874 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.927 -1.020 11.055 1.00 0.51 H new ATOM 155 N ILE A 38 4.754 -2.531 4.795 1.00 0.20 N ATOM 156 CA ILE A 38 4.580 -3.152 3.484 1.00 0.20 C ATOM 157 C ILE A 38 5.342 -4.469 3.387 1.00 0.21 C ATOM 158 O ILE A 38 6.505 -4.567 3.789 1.00 0.27 O ATOM 159 CB ILE A 38 5.010 -2.219 2.335 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.363 -0.847 2.510 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.602 -2.813 0.997 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.829 0.181 1.502 1.00 0.20 C ATOM 0 H ILE A 38 5.288 -1.662 4.787 1.00 0.20 H new ATOM 0 HA ILE A 38 3.513 -3.350 3.379 1.00 0.20 H new ATOM 0 HB ILE A 38 6.094 -2.110 2.358 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.281 -0.953 2.433 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.576 -0.480 3.514 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.911 -2.145 0.193 1.00 0.21 H new ATOM 0 HG22 ILE A 38 5.082 -3.783 0.868 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.520 -2.938 0.969 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.326 1.129 1.690 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.907 0.318 1.593 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.591 -0.163 0.495 1.00 0.20 H new ATOM 174 N VAL A 39 4.666 -5.471 2.850 1.00 0.19 N ATOM 175 CA VAL A 39 5.207 -6.818 2.750 1.00 0.18 C ATOM 176 C VAL A 39 5.311 -7.250 1.297 1.00 0.16 C ATOM 177 O VAL A 39 4.389 -7.034 0.523 1.00 0.18 O ATOM 178 CB VAL A 39 4.306 -7.816 3.499 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.756 -9.250 3.287 1.00 0.23 C ATOM 180 CG2 VAL A 39 4.254 -7.480 4.968 1.00 0.26 C ATOM 0 H VAL A 39 3.724 -5.374 2.470 1.00 0.19 H new ATOM 0 HA VAL A 39 6.201 -6.810 3.198 1.00 0.18 H new ATOM 0 HB VAL A 39 3.301 -7.729 3.086 1.00 0.20 H new ATOM 0 HG11 VAL A 39 4.094 -9.923 3.832 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.721 -9.489 2.224 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.776 -9.369 3.652 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.613 -8.196 5.482 1.00 0.26 H new ATOM 0 HG22 VAL A 39 5.259 -7.526 5.388 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.853 -6.475 5.097 1.00 0.26 H new ATOM 190 N PRO A 40 6.431 -7.857 0.907 1.00 0.14 N ATOM 191 CA PRO A 40 6.596 -8.401 -0.426 1.00 0.14 C ATOM 192 C PRO A 40 6.089 -9.837 -0.514 1.00 0.16 C ATOM 193 O PRO A 40 6.652 -10.746 0.097 1.00 0.28 O ATOM 194 CB PRO A 40 8.107 -8.344 -0.646 1.00 0.17 C ATOM 195 CG PRO A 40 8.734 -8.073 0.692 1.00 0.15 C ATOM 196 CD PRO A 40 7.633 -8.061 1.718 1.00 0.14 C ATOM 0 HA PRO A 40 6.029 -7.849 -1.176 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.472 -9.284 -1.060 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.364 -7.560 -1.359 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.472 -8.839 0.931 1.00 0.15 H new ATOM 0 HG3 PRO A 40 9.258 -7.118 0.682 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.590 -8.997 2.275 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.769 -7.262 2.447 1.00 0.14 H new ATOM 204 N VAL A 41 5.015 -10.031 -1.265 1.00 0.14 N ATOM 205 CA VAL A 41 4.404 -11.349 -1.398 1.00 0.16 C ATOM 206 C VAL A 41 5.015 -12.121 -2.563 1.00 0.18 C ATOM 207 O VAL A 41 5.406 -13.280 -2.424 1.00 0.23 O ATOM 208 CB VAL A 41 2.880 -11.259 -1.632 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.272 -12.649 -1.722 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.188 -10.448 -0.547 1.00 0.20 C ATOM 0 H VAL A 41 4.547 -9.294 -1.792 1.00 0.14 H new ATOM 0 HA VAL A 41 4.595 -11.868 -0.459 1.00 0.16 H new ATOM 0 HB VAL A 41 2.725 -10.742 -2.579 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.198 -12.566 -1.887 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.726 -13.192 -2.551 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.456 -13.187 -0.792 1.00 0.21 H new ATOM 0 HG21 VAL A 41 1.118 -10.409 -0.749 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.358 -10.917 0.422 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.592 -9.436 -0.536 1.00 0.20 H new ATOM 220 N SER A 42 5.096 -11.470 -3.714 1.00 0.19 N ATOM 221 CA SER A 42 5.488 -12.153 -4.933 1.00 0.25 C ATOM 222 C SER A 42 6.999 -12.147 -5.127 1.00 0.24 C ATOM 223 O SER A 42 7.694 -11.265 -4.617 1.00 0.35 O ATOM 224 CB SER A 42 4.793 -11.538 -6.149 1.00 0.34 C ATOM 225 OG SER A 42 4.967 -12.338 -7.308 1.00 1.08 O ATOM 0 H SER A 42 4.897 -10.476 -3.827 1.00 0.19 H new ATOM 0 HA SER A 42 5.171 -13.191 -4.835 1.00 0.25 H new ATOM 0 HB2 SER A 42 3.729 -11.423 -5.942 1.00 0.34 H new ATOM 0 HB3 SER A 42 5.192 -10.540 -6.331 1.00 0.34 H new ATOM 0 HG SER A 42 4.096 -12.503 -7.725 1.00 1.08 H new ATOM 231 N LYS A 43 7.479 -13.127 -5.867 1.00 0.28 N ATOM 232 CA LYS A 43 8.905 -13.363 -6.065 1.00 0.31 C ATOM 233 C LYS A 43 9.650 -12.094 -6.461 1.00 0.26 C ATOM 234 O LYS A 43 10.674 -11.744 -5.865 1.00 0.32 O ATOM 235 CB LYS A 43 9.085 -14.423 -7.157 1.00 0.42 C ATOM 236 CG LYS A 43 8.115 -15.581 -7.021 1.00 1.02 C ATOM 237 CD LYS A 43 6.899 -15.431 -7.929 1.00 1.41 C ATOM 238 CE LYS A 43 5.749 -16.303 -7.450 1.00 2.09 C ATOM 239 NZ LYS A 43 4.504 -16.081 -8.232 1.00 2.95 N ATOM 0 H LYS A 43 6.884 -13.795 -6.357 1.00 0.28 H new ATOM 0 HA LYS A 43 9.325 -13.705 -5.119 1.00 0.31 H new ATOM 0 HB2 LYS A 43 8.952 -13.957 -8.134 1.00 0.42 H new ATOM 0 HB3 LYS A 43 10.106 -14.804 -7.121 1.00 0.42 H new ATOM 0 HG2 LYS A 43 8.630 -16.512 -7.258 1.00 1.02 H new ATOM 0 HG3 LYS A 43 7.784 -15.655 -5.985 1.00 1.02 H new ATOM 0 HD2 LYS A 43 6.584 -14.388 -7.951 1.00 1.41 H new ATOM 0 HD3 LYS A 43 7.167 -15.705 -8.949 1.00 1.41 H new ATOM 0 HE2 LYS A 43 6.038 -17.352 -7.522 1.00 2.09 H new ATOM 0 HE3 LYS A 43 5.555 -16.097 -6.397 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 3.798 -16.799 -7.972 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 4.127 -15.134 -8.023 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 4.715 -16.154 -9.248 1.00 2.95 H new ATOM 253 N ASP A 44 9.092 -11.382 -7.423 1.00 0.23 N ATOM 254 CA ASP A 44 9.760 -10.214 -8.006 1.00 0.21 C ATOM 255 C ASP A 44 9.937 -9.088 -6.986 1.00 0.17 C ATOM 256 O ASP A 44 10.743 -8.181 -7.190 1.00 0.18 O ATOM 257 CB ASP A 44 8.979 -9.695 -9.216 1.00 0.25 C ATOM 258 CG ASP A 44 9.875 -9.041 -10.247 1.00 0.39 C ATOM 259 OD1 ASP A 44 11.073 -9.389 -10.303 1.00 0.44 O ATOM 260 OD2 ASP A 44 9.388 -8.175 -11.007 1.00 0.97 O ATOM 0 H ASP A 44 8.176 -11.586 -7.823 1.00 0.23 H new ATOM 0 HA ASP A 44 10.750 -10.539 -8.325 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.441 -10.522 -9.679 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.231 -8.976 -8.881 1.00 0.25 H new ATOM 265 N TYR A 45 9.188 -9.143 -5.892 1.00 0.15 N ATOM 266 CA TYR A 45 9.228 -8.085 -4.889 1.00 0.13 C ATOM 267 C TYR A 45 9.981 -8.531 -3.647 1.00 0.15 C ATOM 268 O TYR A 45 10.061 -7.792 -2.681 1.00 0.15 O ATOM 269 CB TYR A 45 7.812 -7.641 -4.502 1.00 0.12 C ATOM 270 CG TYR A 45 6.993 -7.148 -5.670 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.505 -8.030 -6.629 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.704 -5.797 -5.809 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.750 -7.567 -7.694 1.00 0.29 C ATOM 274 CE2 TYR A 45 5.951 -5.332 -6.867 1.00 0.25 C ATOM 275 CZ TYR A 45 5.492 -6.264 -7.837 1.00 0.27 C ATOM 276 OH TYR A 45 4.726 -5.745 -8.863 1.00 0.35 O ATOM 0 H TYR A 45 8.547 -9.907 -5.676 1.00 0.15 H new ATOM 0 HA TYR A 45 9.755 -7.240 -5.332 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.294 -8.477 -4.033 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.880 -6.849 -3.756 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.717 -9.085 -6.542 1.00 0.23 H new ATOM 0 HD2 TYR A 45 7.076 -5.097 -5.075 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.365 -8.269 -8.419 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.715 -4.282 -6.956 1.00 0.25 H new ATOM 0 HH TYR A 45 3.833 -5.524 -8.525 1.00 0.35 H new ATOM 286 N PHE A 46 10.567 -9.720 -3.675 1.00 0.19 N ATOM 287 CA PHE A 46 11.283 -10.240 -2.505 1.00 0.23 C ATOM 288 C PHE A 46 12.429 -9.321 -2.067 1.00 0.22 C ATOM 289 O PHE A 46 12.973 -9.482 -0.976 1.00 0.26 O ATOM 290 CB PHE A 46 11.808 -11.656 -2.748 1.00 0.28 C ATOM 291 CG PHE A 46 10.830 -12.732 -2.362 1.00 0.36 C ATOM 292 CD1 PHE A 46 10.216 -12.722 -1.123 1.00 0.68 C ATOM 293 CD2 PHE A 46 10.527 -13.753 -3.249 1.00 0.68 C ATOM 294 CE1 PHE A 46 9.315 -13.712 -0.773 1.00 0.74 C ATOM 295 CE2 PHE A 46 9.629 -14.745 -2.905 1.00 0.76 C ATOM 296 CZ PHE A 46 9.025 -14.717 -1.635 1.00 0.57 C ATOM 0 H PHE A 46 10.565 -10.342 -4.484 1.00 0.19 H new ATOM 0 HA PHE A 46 10.555 -10.274 -1.695 1.00 0.23 H new ATOM 0 HB2 PHE A 46 12.060 -11.766 -3.803 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.730 -11.795 -2.184 1.00 0.28 H new ATOM 0 HD1 PHE A 46 10.442 -11.933 -0.421 1.00 0.68 H new ATOM 0 HD2 PHE A 46 10.998 -13.773 -4.220 1.00 0.68 H new ATOM 0 HE1 PHE A 46 8.838 -13.684 0.196 1.00 0.74 H new ATOM 0 HE2 PHE A 46 9.393 -15.534 -3.604 1.00 0.76 H new ATOM 0 HZ PHE A 46 8.332 -15.494 -1.348 1.00 0.57 H new ATOM 306 N SER A 47 12.788 -8.361 -2.910 1.00 0.19 N ATOM 307 CA SER A 47 13.875 -7.461 -2.612 1.00 0.23 C ATOM 308 C SER A 47 13.396 -6.167 -1.945 1.00 0.17 C ATOM 309 O SER A 47 14.217 -5.327 -1.602 1.00 0.20 O ATOM 310 CB SER A 47 14.615 -7.136 -3.903 1.00 0.31 C ATOM 311 OG SER A 47 13.716 -6.717 -4.918 1.00 1.19 O ATOM 0 H SER A 47 12.334 -8.192 -3.808 1.00 0.19 H new ATOM 0 HA SER A 47 14.539 -7.957 -1.904 1.00 0.23 H new ATOM 0 HB2 SER A 47 15.349 -6.352 -3.717 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.165 -8.014 -4.241 1.00 0.31 H new ATOM 0 HG SER A 47 14.026 -5.870 -5.301 1.00 1.19 H new ATOM 317 N ILE A 48 12.077 -6.007 -1.761 1.00 0.17 N ATOM 318 CA ILE A 48 11.518 -4.768 -1.189 1.00 0.15 C ATOM 319 C ILE A 48 12.234 -4.397 0.120 1.00 0.17 C ATOM 320 O ILE A 48 12.425 -5.239 0.996 1.00 0.20 O ATOM 321 CB ILE A 48 9.987 -4.884 -0.942 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.231 -5.128 -2.254 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.455 -3.629 -0.271 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.455 -3.934 -2.778 1.00 0.21 C ATOM 0 H ILE A 48 11.380 -6.713 -1.997 1.00 0.17 H new ATOM 0 HA ILE A 48 11.682 -3.977 -1.920 1.00 0.15 H new ATOM 0 HB ILE A 48 9.824 -5.737 -0.283 1.00 0.17 H new ATOM 0 HG12 ILE A 48 9.946 -5.440 -3.015 1.00 0.18 H new ATOM 0 HG13 ILE A 48 8.538 -5.957 -2.108 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.382 -3.731 -0.107 1.00 0.18 H new ATOM 0 HG22 ILE A 48 9.956 -3.488 0.686 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.644 -2.767 -0.910 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.955 -4.205 -3.708 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.711 -3.632 -2.041 1.00 0.21 H new ATOM 0 HD13 ILE A 48 9.141 -3.107 -2.962 1.00 0.21 H new ATOM 336 N PRO A 49 12.632 -3.112 0.230 1.00 0.16 N ATOM 337 CA PRO A 49 13.556 -2.595 1.255 1.00 0.19 C ATOM 338 C PRO A 49 13.244 -2.908 2.707 1.00 0.15 C ATOM 339 O PRO A 49 12.169 -3.383 3.074 1.00 0.21 O ATOM 340 CB PRO A 49 13.499 -1.077 1.081 1.00 0.26 C ATOM 341 CG PRO A 49 12.374 -0.820 0.165 1.00 0.17 C ATOM 342 CD PRO A 49 12.228 -2.041 -0.681 1.00 0.16 C ATOM 0 HA PRO A 49 14.520 -3.078 1.092 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.345 -0.579 2.038 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.433 -0.695 0.670 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.458 -0.622 0.722 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.568 0.058 -0.451 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.204 -2.171 -1.031 1.00 0.16 H new ATOM 0 HD3 PRO A 49 12.864 -2.000 -1.565 1.00 0.16 H new ATOM 350 N ASN A 50 14.248 -2.537 3.513 1.00 0.17 N ATOM 351 CA ASN A 50 14.342 -2.814 4.944 1.00 0.22 C ATOM 352 C ASN A 50 13.025 -2.610 5.682 1.00 0.22 C ATOM 353 O ASN A 50 12.651 -3.435 6.520 1.00 0.34 O ATOM 354 CB ASN A 50 15.411 -1.897 5.554 1.00 0.35 C ATOM 355 CG ASN A 50 15.718 -2.225 7.001 1.00 0.58 C ATOM 356 OD1 ASN A 50 15.103 -1.684 7.923 1.00 1.23 O ATOM 357 ND2 ASN A 50 16.688 -3.098 7.215 1.00 0.83 N ATOM 0 H ASN A 50 15.050 -2.012 3.165 1.00 0.17 H new ATOM 0 HA ASN A 50 14.607 -3.865 5.056 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.326 -1.975 4.968 1.00 0.35 H new ATOM 0 HB3 ASN A 50 15.076 -0.862 5.485 1.00 0.35 H new ATOM 0 HD21 ASN A 50 16.951 -3.345 8.169 1.00 0.83 H new ATOM 0 HD22 ASN A 50 17.174 -3.524 6.426 1.00 0.83 H new ATOM 364 N ASP A 51 12.333 -1.518 5.366 1.00 0.24 N ATOM 365 CA ASP A 51 11.108 -1.152 6.076 1.00 0.34 C ATOM 366 C ASP A 51 10.444 0.045 5.421 1.00 0.27 C ATOM 367 O ASP A 51 10.937 1.173 5.511 1.00 0.36 O ATOM 368 CB ASP A 51 11.394 -0.835 7.551 1.00 0.51 C ATOM 369 CG ASP A 51 10.150 -0.398 8.309 1.00 1.20 C ATOM 370 OD1 ASP A 51 9.260 -1.250 8.542 1.00 1.90 O ATOM 371 OD2 ASP A 51 10.045 0.800 8.648 1.00 1.23 O ATOM 0 H ASP A 51 12.599 -0.871 4.624 1.00 0.24 H new ATOM 0 HA ASP A 51 10.435 -2.008 6.026 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.817 -1.717 8.033 1.00 0.51 H new ATOM 0 HB3 ASP A 51 12.146 -0.048 7.610 1.00 0.51 H new ATOM 376 N LEU A 52 9.354 -0.213 4.724 1.00 0.22 N ATOM 377 CA LEU A 52 8.543 0.847 4.149 1.00 0.17 C ATOM 378 C LEU A 52 7.256 1.004 4.937 1.00 0.19 C ATOM 379 O LEU A 52 6.550 0.025 5.194 1.00 0.25 O ATOM 380 CB LEU A 52 8.206 0.546 2.692 1.00 0.18 C ATOM 381 CG LEU A 52 9.400 0.416 1.760 1.00 0.14 C ATOM 382 CD1 LEU A 52 8.945 -0.069 0.395 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.138 1.740 1.635 1.00 0.15 C ATOM 0 H LEU A 52 9.007 -1.154 4.540 1.00 0.22 H new ATOM 0 HA LEU A 52 9.117 1.772 4.194 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.634 -0.381 2.653 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.557 1.337 2.316 1.00 0.18 H new ATOM 0 HG LEU A 52 10.089 -0.315 2.183 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.808 -0.159 -0.265 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.463 -1.041 0.496 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.237 0.645 -0.027 1.00 0.17 H new ATOM 0 HD21 LEU A 52 10.988 1.621 0.963 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.463 2.497 1.235 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.493 2.053 2.617 1.00 0.15 H new ATOM 395 N LEU A 53 6.950 2.229 5.312 1.00 0.16 N ATOM 396 CA LEU A 53 5.718 2.503 6.026 1.00 0.18 C ATOM 397 C LEU A 53 4.702 3.144 5.099 1.00 0.17 C ATOM 398 O LEU A 53 4.906 4.241 4.580 1.00 0.17 O ATOM 399 CB LEU A 53 5.967 3.405 7.237 1.00 0.21 C ATOM 400 CG LEU A 53 6.797 2.778 8.354 1.00 0.26 C ATOM 401 CD1 LEU A 53 6.993 3.768 9.491 1.00 0.32 C ATOM 402 CD2 LEU A 53 6.132 1.506 8.859 1.00 0.30 C ATOM 0 H LEU A 53 7.533 3.047 5.136 1.00 0.16 H new ATOM 0 HA LEU A 53 5.322 1.553 6.386 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.469 4.311 6.898 1.00 0.21 H new ATOM 0 HB3 LEU A 53 5.004 3.709 7.648 1.00 0.21 H new ATOM 0 HG LEU A 53 7.777 2.518 7.954 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.587 3.304 10.279 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.511 4.652 9.119 1.00 0.32 H new ATOM 0 HD13 LEU A 53 6.022 4.058 9.892 1.00 0.32 H new ATOM 0 HD21 LEU A 53 6.736 1.071 9.655 1.00 0.30 H new ATOM 0 HD22 LEU A 53 5.140 1.742 9.244 1.00 0.30 H new ATOM 0 HD23 LEU A 53 6.043 0.792 8.040 1.00 0.30 H new ATOM 414 N TRP A 54 3.609 2.446 4.897 1.00 0.18 N ATOM 415 CA TRP A 54 2.517 2.935 4.086 1.00 0.20 C ATOM 416 C TRP A 54 1.388 3.399 4.988 1.00 0.23 C ATOM 417 O TRP A 54 1.097 2.768 5.997 1.00 0.28 O ATOM 418 CB TRP A 54 2.028 1.813 3.164 1.00 0.22 C ATOM 419 CG TRP A 54 0.927 2.204 2.227 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.337 2.593 2.560 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.975 2.199 0.796 1.00 0.24 C ATOM 422 NE1 TRP A 54 -1.060 2.868 1.432 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.283 2.623 0.338 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.963 1.888 -0.142 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.583 2.741 -1.011 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.659 2.003 -1.485 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.393 2.429 -1.903 1.00 0.35 C ATOM 0 H TRP A 54 3.451 1.519 5.292 1.00 0.18 H new ATOM 0 HA TRP A 54 2.855 3.775 3.478 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.872 1.449 2.578 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.684 0.981 3.779 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.713 2.672 3.569 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -2.024 3.202 1.412 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.943 1.565 0.176 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.558 3.069 -1.341 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 2.409 1.761 -2.223 1.00 0.41 H new ATOM 0 HH2 TRP A 54 0.187 2.512 -2.960 1.00 0.35 H new ATOM 438 N SER A 55 0.769 4.506 4.642 1.00 0.26 N ATOM 439 CA SER A 55 -0.417 4.948 5.339 1.00 0.33 C ATOM 440 C SER A 55 -1.265 5.801 4.416 1.00 0.25 C ATOM 441 O SER A 55 -0.828 6.859 3.966 1.00 0.22 O ATOM 442 CB SER A 55 -0.033 5.730 6.602 1.00 0.44 C ATOM 443 OG SER A 55 0.932 6.731 6.318 1.00 1.11 O ATOM 0 H SER A 55 1.068 5.117 3.882 1.00 0.26 H new ATOM 0 HA SER A 55 -0.998 4.078 5.643 1.00 0.33 H new ATOM 0 HB2 SER A 55 -0.923 6.191 7.031 1.00 0.44 H new ATOM 0 HB3 SER A 55 0.362 5.043 7.351 1.00 0.44 H new ATOM 0 HG SER A 55 1.706 6.615 6.907 1.00 1.11 H new ATOM 449 N PHE A 56 -2.457 5.331 4.084 1.00 0.30 N ATOM 450 CA PHE A 56 -3.364 6.156 3.315 1.00 0.28 C ATOM 451 C PHE A 56 -3.897 7.226 4.244 1.00 0.27 C ATOM 452 O PHE A 56 -4.547 6.904 5.236 1.00 0.39 O ATOM 453 CB PHE A 56 -4.562 5.363 2.777 1.00 0.40 C ATOM 454 CG PHE A 56 -4.285 3.954 2.313 1.00 0.30 C ATOM 455 CD1 PHE A 56 -4.045 2.949 3.229 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.221 3.647 0.959 1.00 0.34 C ATOM 457 CE1 PHE A 56 -3.749 1.663 2.809 1.00 0.30 C ATOM 458 CE2 PHE A 56 -3.931 2.364 0.535 1.00 0.34 C ATOM 459 CZ PHE A 56 -3.856 1.341 1.454 1.00 0.27 C ATOM 0 H PHE A 56 -2.810 4.406 4.329 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.821 6.564 2.463 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -5.322 5.322 3.558 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -4.992 5.918 1.943 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -4.089 3.168 4.286 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.400 4.422 0.228 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -3.438 0.915 3.523 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -3.764 2.164 -0.513 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.879 0.310 1.133 1.00 0.27 H new ATOM 469 N ASN A 57 -3.654 8.482 3.936 1.00 0.24 N ATOM 470 CA ASN A 57 -4.188 9.556 4.752 1.00 0.31 C ATOM 471 C ASN A 57 -5.603 9.843 4.293 1.00 0.33 C ATOM 472 O ASN A 57 -5.826 10.601 3.350 1.00 0.41 O ATOM 473 CB ASN A 57 -3.317 10.819 4.667 1.00 0.45 C ATOM 474 CG ASN A 57 -3.739 11.888 5.663 1.00 1.09 C ATOM 475 OD1 ASN A 57 -4.896 11.956 6.068 1.00 2.12 O ATOM 476 ND2 ASN A 57 -2.807 12.745 6.049 1.00 1.16 N ATOM 0 H ASN A 57 -3.097 8.784 3.137 1.00 0.24 H new ATOM 0 HA ASN A 57 -4.189 9.248 5.798 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -2.276 10.551 4.847 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -3.372 11.226 3.657 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -3.040 13.492 6.703 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -1.855 12.659 5.692 1.00 1.16 H new ATOM 483 N THR A 58 -6.554 9.248 4.988 1.00 0.34 N ATOM 484 CA THR A 58 -7.952 9.311 4.610 1.00 0.40 C ATOM 485 C THR A 58 -8.603 10.590 5.118 1.00 0.48 C ATOM 486 O THR A 58 -9.821 10.766 5.055 1.00 0.61 O ATOM 487 CB THR A 58 -8.675 8.076 5.159 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.358 7.906 6.549 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.254 6.839 4.380 1.00 0.48 C ATOM 0 H THR A 58 -6.377 8.706 5.834 1.00 0.34 H new ATOM 0 HA THR A 58 -8.026 9.321 3.523 1.00 0.40 H new ATOM 0 HB THR A 58 -9.751 8.216 5.050 1.00 0.40 H new ATOM 0 HG1 THR A 58 -8.823 7.117 6.897 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.772 5.966 4.776 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.510 6.967 3.328 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.178 6.697 4.477 1.00 0.48 H new ATOM 497 N THR A 59 -7.762 11.477 5.612 1.00 0.50 N ATOM 498 CA THR A 59 -8.176 12.765 6.095 1.00 0.63 C ATOM 499 C THR A 59 -8.120 13.787 4.960 1.00 0.67 C ATOM 500 O THR A 59 -8.958 14.684 4.866 1.00 0.77 O ATOM 501 CB THR A 59 -7.244 13.184 7.239 1.00 0.74 C ATOM 502 OG1 THR A 59 -7.299 12.226 8.288 1.00 0.86 O ATOM 503 CG2 THR A 59 -7.587 14.558 7.766 1.00 0.90 C ATOM 0 H THR A 59 -6.758 11.314 5.687 1.00 0.50 H new ATOM 0 HA THR A 59 -9.201 12.715 6.461 1.00 0.63 H new ATOM 0 HB THR A 59 -6.229 13.228 6.843 1.00 0.74 H new ATOM 0 HG1 THR A 59 -6.700 12.500 9.013 1.00 0.86 H new ATOM 0 HG21 THR A 59 -6.904 14.818 8.575 1.00 0.90 H new ATOM 0 HG22 THR A 59 -7.494 15.289 6.963 1.00 0.90 H new ATOM 0 HG23 THR A 59 -8.611 14.559 8.141 1.00 0.90 H new ATOM 511 N ASN A 60 -7.128 13.620 4.092 1.00 0.65 N ATOM 512 CA ASN A 60 -6.950 14.488 2.932 1.00 0.74 C ATOM 513 C ASN A 60 -7.003 13.649 1.663 1.00 0.72 C ATOM 514 O ASN A 60 -6.591 14.088 0.590 1.00 0.84 O ATOM 515 CB ASN A 60 -5.597 15.209 3.009 1.00 0.86 C ATOM 516 CG ASN A 60 -5.454 16.101 4.231 1.00 1.17 C ATOM 517 OD1 ASN A 60 -6.422 16.696 4.707 1.00 1.99 O ATOM 518 ND2 ASN A 60 -4.238 16.195 4.753 1.00 1.69 N ATOM 0 H ASN A 60 -6.427 12.883 4.171 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.747 15.232 2.920 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -4.799 14.467 3.015 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -5.464 15.812 2.111 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -4.080 16.775 5.577 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -3.461 15.687 4.330 1.00 1.69 H new ATOM 525 N LYS A 61 -7.549 12.439 1.830 1.00 0.64 N ATOM 526 CA LYS A 61 -7.508 11.364 0.833 1.00 0.66 C ATOM 527 C LYS A 61 -6.213 11.355 0.020 1.00 0.65 C ATOM 528 O LYS A 61 -6.222 11.310 -1.211 1.00 0.94 O ATOM 529 CB LYS A 61 -8.738 11.356 -0.058 1.00 0.84 C ATOM 530 CG LYS A 61 -9.020 12.647 -0.745 1.00 0.96 C ATOM 531 CD LYS A 61 -10.393 12.598 -1.347 1.00 0.99 C ATOM 532 CE LYS A 61 -10.835 13.939 -1.891 1.00 1.06 C ATOM 533 NZ LYS A 61 -12.199 13.874 -2.478 1.00 1.65 N ATOM 0 H LYS A 61 -8.043 12.174 2.682 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.520 10.433 1.399 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -8.618 10.578 -0.812 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -9.604 11.085 0.545 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -8.950 13.472 -0.036 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -8.276 12.829 -1.521 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -10.408 11.861 -2.150 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -11.105 12.263 -0.593 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -10.818 14.679 -1.091 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -10.128 14.274 -2.650 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -12.466 14.812 -2.840 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -12.209 13.186 -3.258 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -12.878 13.579 -1.747 1.00 1.65 H new ATOM 547 N SER A 62 -5.098 11.366 0.734 1.00 0.41 N ATOM 548 CA SER A 62 -3.785 11.351 0.120 1.00 0.38 C ATOM 549 C SER A 62 -2.956 10.207 0.673 1.00 0.35 C ATOM 550 O SER A 62 -2.986 9.927 1.861 1.00 0.50 O ATOM 551 CB SER A 62 -3.070 12.675 0.366 1.00 0.47 C ATOM 552 OG SER A 62 -3.186 13.077 1.721 1.00 1.28 O ATOM 0 H SER A 62 -5.081 11.386 1.754 1.00 0.41 H new ATOM 0 HA SER A 62 -3.909 11.210 -0.954 1.00 0.38 H new ATOM 0 HB2 SER A 62 -2.017 12.577 0.102 1.00 0.47 H new ATOM 0 HB3 SER A 62 -3.491 13.444 -0.282 1.00 0.47 H new ATOM 0 HG SER A 62 -2.717 13.928 1.851 1.00 1.28 H new ATOM 558 N ILE A 63 -2.217 9.556 -0.192 1.00 0.36 N ATOM 559 CA ILE A 63 -1.368 8.449 0.218 1.00 0.33 C ATOM 560 C ILE A 63 -0.104 8.990 0.866 1.00 0.35 C ATOM 561 O ILE A 63 0.453 9.978 0.400 1.00 0.54 O ATOM 562 CB ILE A 63 -0.956 7.566 -0.984 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.179 7.148 -1.809 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.198 6.336 -0.505 1.00 0.39 C ATOM 565 CD1 ILE A 63 -3.044 6.132 -1.112 1.00 1.11 C ATOM 0 H ILE A 63 -2.182 9.770 -1.189 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.939 7.842 0.921 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.301 8.156 -1.625 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -2.777 8.031 -2.034 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -1.844 6.738 -2.762 1.00 0.37 H new ATOM 0 HG21 ILE A 63 0.084 5.726 -1.363 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.699 6.647 0.030 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -0.834 5.753 0.161 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -3.892 5.878 -1.748 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -2.460 5.234 -0.911 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -3.407 6.547 -0.172 1.00 1.11 H new ATOM 577 N ASN A 64 0.322 8.377 1.955 1.00 0.25 N ATOM 578 CA ASN A 64 1.595 8.715 2.574 1.00 0.25 C ATOM 579 C ASN A 64 2.456 7.471 2.711 1.00 0.21 C ATOM 580 O ASN A 64 2.230 6.647 3.597 1.00 0.24 O ATOM 581 CB ASN A 64 1.394 9.340 3.951 1.00 0.34 C ATOM 582 CG ASN A 64 1.238 10.854 3.933 1.00 0.57 C ATOM 583 OD1 ASN A 64 1.603 11.528 4.896 1.00 1.22 O ATOM 584 ND2 ASN A 64 0.715 11.408 2.848 1.00 0.53 N ATOM 0 H ASN A 64 -0.196 7.639 2.432 1.00 0.25 H new ATOM 0 HA ASN A 64 2.093 9.441 1.931 1.00 0.25 H new ATOM 0 HB2 ASN A 64 0.509 8.900 4.411 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.244 9.081 4.583 1.00 0.34 H new ATOM 0 HD21 ASN A 64 0.605 12.421 2.795 1.00 0.53 H new ATOM 0 HD22 ASN A 64 0.422 10.822 2.067 1.00 0.53 H new ATOM 591 N VAL A 65 3.423 7.328 1.827 1.00 0.20 N ATOM 592 CA VAL A 65 4.351 6.214 1.894 1.00 0.18 C ATOM 593 C VAL A 65 5.720 6.734 2.277 1.00 0.20 C ATOM 594 O VAL A 65 6.321 7.514 1.541 1.00 0.25 O ATOM 595 CB VAL A 65 4.467 5.461 0.555 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.176 4.131 0.748 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.105 5.257 -0.080 1.00 0.19 C ATOM 0 H VAL A 65 3.588 7.970 1.052 1.00 0.20 H new ATOM 0 HA VAL A 65 3.969 5.515 2.638 1.00 0.18 H new ATOM 0 HB VAL A 65 5.062 6.073 -0.123 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.248 3.615 -0.209 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.177 4.306 1.142 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.612 3.517 1.450 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.220 4.723 -1.023 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.474 4.675 0.592 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.641 6.226 -0.266 1.00 0.19 H new ATOM 607 N TYR A 66 6.208 6.317 3.424 1.00 0.19 N ATOM 608 CA TYR A 66 7.462 6.830 3.931 1.00 0.21 C ATOM 609 C TYR A 66 8.283 5.751 4.607 1.00 0.21 C ATOM 610 O TYR A 66 7.759 4.809 5.183 1.00 0.24 O ATOM 611 CB TYR A 66 7.219 7.989 4.902 1.00 0.27 C ATOM 612 CG TYR A 66 6.120 7.730 5.915 1.00 0.31 C ATOM 613 CD1 TYR A 66 4.797 8.056 5.639 1.00 0.33 C ATOM 614 CD2 TYR A 66 6.411 7.160 7.147 1.00 0.40 C ATOM 615 CE1 TYR A 66 3.797 7.821 6.566 1.00 0.43 C ATOM 616 CE2 TYR A 66 5.417 6.922 8.077 1.00 0.50 C ATOM 617 CZ TYR A 66 4.093 7.255 7.763 1.00 0.51 C ATOM 618 OH TYR A 66 3.119 7.021 8.712 1.00 0.63 O ATOM 0 H TYR A 66 5.757 5.625 4.023 1.00 0.19 H new ATOM 0 HA TYR A 66 8.030 7.194 3.074 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.146 8.203 5.434 1.00 0.27 H new ATOM 0 HB3 TYR A 66 6.967 8.882 4.329 1.00 0.27 H new ATOM 0 HD1 TYR A 66 4.546 8.499 4.687 1.00 0.33 H new ATOM 0 HD2 TYR A 66 7.432 6.898 7.383 1.00 0.40 H new ATOM 0 HE1 TYR A 66 2.777 8.089 6.336 1.00 0.43 H new ATOM 0 HE2 TYR A 66 5.658 6.484 9.035 1.00 0.50 H new ATOM 0 HH TYR A 66 3.525 6.608 9.503 1.00 0.63 H new ATOM 628 N SER A 67 9.576 5.906 4.508 1.00 0.21 N ATOM 629 CA SER A 67 10.523 5.061 5.197 1.00 0.24 C ATOM 630 C SER A 67 11.574 5.954 5.821 1.00 0.28 C ATOM 631 O SER A 67 11.397 7.174 5.864 1.00 0.30 O ATOM 632 CB SER A 67 11.174 4.039 4.256 1.00 0.26 C ATOM 633 OG SER A 67 12.105 4.651 3.373 1.00 0.29 O ATOM 0 H SER A 67 10.011 6.632 3.939 1.00 0.21 H new ATOM 0 HA SER A 67 10.001 4.487 5.962 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.680 3.274 4.845 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.401 3.535 3.676 1.00 0.26 H new ATOM 0 HG SER A 67 12.429 3.988 2.728 1.00 0.29 H new ATOM 639 N LYS A 68 12.648 5.367 6.312 1.00 0.33 N ATOM 640 CA LYS A 68 13.737 6.141 6.885 1.00 0.38 C ATOM 641 C LYS A 68 14.332 7.077 5.818 1.00 0.36 C ATOM 642 O LYS A 68 15.026 8.042 6.135 1.00 0.42 O ATOM 643 CB LYS A 68 14.837 5.207 7.413 1.00 0.47 C ATOM 644 CG LYS A 68 14.365 3.830 7.880 1.00 0.63 C ATOM 645 CD LYS A 68 13.218 3.896 8.879 1.00 1.00 C ATOM 646 CE LYS A 68 12.866 2.507 9.388 1.00 1.58 C ATOM 647 NZ LYS A 68 11.573 2.476 10.123 1.00 2.03 N ATOM 0 H LYS A 68 12.792 4.357 6.327 1.00 0.33 H new ATOM 0 HA LYS A 68 13.344 6.733 7.712 1.00 0.38 H new ATOM 0 HB2 LYS A 68 15.580 5.070 6.628 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.340 5.701 8.245 1.00 0.47 H new ATOM 0 HG2 LYS A 68 14.051 3.248 7.014 1.00 0.63 H new ATOM 0 HG3 LYS A 68 15.203 3.300 8.333 1.00 0.63 H new ATOM 0 HD2 LYS A 68 13.495 4.536 9.717 1.00 1.00 H new ATOM 0 HD3 LYS A 68 12.345 4.348 8.408 1.00 1.00 H new ATOM 0 HE2 LYS A 68 12.817 1.817 8.545 1.00 1.58 H new ATOM 0 HE3 LYS A 68 13.661 2.153 10.044 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 11.727 2.102 11.081 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 11.186 3.439 10.185 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 10.901 1.865 9.617 1.00 2.03 H new ATOM 661 N CYS A 69 14.028 6.789 4.551 1.00 0.36 N ATOM 662 CA CYS A 69 14.645 7.488 3.432 1.00 0.37 C ATOM 663 C CYS A 69 13.609 8.003 2.422 1.00 0.41 C ATOM 664 O CYS A 69 13.639 9.176 2.045 1.00 0.74 O ATOM 665 CB CYS A 69 15.625 6.548 2.740 1.00 0.38 C ATOM 666 SG CYS A 69 16.883 5.843 3.856 1.00 0.38 S ATOM 0 H CYS A 69 13.355 6.073 4.278 1.00 0.36 H new ATOM 0 HA CYS A 69 15.167 8.360 3.826 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.067 5.734 2.276 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.127 7.088 1.937 1.00 0.38 H new ATOM 671 N ILE A 70 12.694 7.137 1.985 1.00 0.25 N ATOM 672 CA ILE A 70 11.723 7.513 0.956 1.00 0.22 C ATOM 673 C ILE A 70 10.519 8.203 1.589 1.00 0.23 C ATOM 674 O ILE A 70 10.136 7.887 2.715 1.00 0.27 O ATOM 675 CB ILE A 70 11.265 6.292 0.126 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.504 6.741 -1.115 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.408 5.344 0.949 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.493 5.702 -2.198 1.00 0.23 C ATOM 0 H ILE A 70 12.605 6.179 2.323 1.00 0.25 H new ATOM 0 HA ILE A 70 12.217 8.208 0.277 1.00 0.22 H new ATOM 0 HB ILE A 70 12.161 5.753 -0.182 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.478 6.982 -0.839 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.954 7.656 -1.500 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.105 4.498 0.332 1.00 0.22 H new ATOM 0 HG22 ILE A 70 10.982 4.983 1.803 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.522 5.870 1.304 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.937 6.078 -3.057 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.517 5.479 -2.498 1.00 0.23 H new ATOM 0 HD13 ILE A 70 10.018 4.794 -1.827 1.00 0.23 H new ATOM 690 N SER A 71 9.940 9.153 0.871 1.00 0.24 N ATOM 691 CA SER A 71 8.843 9.955 1.393 1.00 0.28 C ATOM 692 C SER A 71 7.928 10.392 0.258 1.00 0.29 C ATOM 693 O SER A 71 8.270 11.297 -0.500 1.00 0.39 O ATOM 694 CB SER A 71 9.400 11.193 2.093 1.00 0.42 C ATOM 695 OG SER A 71 10.426 10.853 3.012 1.00 1.12 O ATOM 0 H SER A 71 10.214 9.389 -0.083 1.00 0.24 H new ATOM 0 HA SER A 71 8.275 9.354 2.103 1.00 0.28 H new ATOM 0 HB2 SER A 71 9.791 11.887 1.350 1.00 0.42 H new ATOM 0 HB3 SER A 71 8.596 11.708 2.618 1.00 0.42 H new ATOM 0 HG SER A 71 10.334 11.398 3.821 1.00 1.12 H new ATOM 701 N GLY A 72 6.776 9.756 0.127 1.00 0.30 N ATOM 702 CA GLY A 72 5.914 10.061 -0.988 1.00 0.42 C ATOM 703 C GLY A 72 4.462 10.219 -0.625 1.00 0.31 C ATOM 704 O GLY A 72 3.897 9.424 0.126 1.00 0.40 O ATOM 0 H GLY A 72 6.427 9.042 0.766 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.261 10.981 -1.459 1.00 0.42 H new ATOM 0 HA3 GLY A 72 6.006 9.268 -1.731 1.00 0.42 H new ATOM 708 N LYS A 73 3.870 11.264 -1.165 1.00 0.24 N ATOM 709 CA LYS A 73 2.451 11.493 -1.060 1.00 0.23 C ATOM 710 C LYS A 73 1.783 11.103 -2.374 1.00 0.21 C ATOM 711 O LYS A 73 2.454 10.987 -3.392 1.00 0.27 O ATOM 712 CB LYS A 73 2.196 12.965 -0.748 1.00 0.35 C ATOM 713 CG LYS A 73 2.747 13.911 -1.781 1.00 1.00 C ATOM 714 CD LYS A 73 1.686 14.876 -2.242 1.00 0.70 C ATOM 715 CE LYS A 73 0.747 14.206 -3.211 1.00 0.43 C ATOM 716 NZ LYS A 73 -0.217 15.162 -3.812 1.00 0.64 N ATOM 0 H LYS A 73 4.367 11.982 -1.692 1.00 0.24 H new ATOM 0 HA LYS A 73 2.033 10.887 -0.256 1.00 0.23 H new ATOM 0 HB2 LYS A 73 1.122 13.126 -0.658 1.00 0.35 H new ATOM 0 HB3 LYS A 73 2.637 13.203 0.220 1.00 0.35 H new ATOM 0 HG2 LYS A 73 3.590 14.462 -1.363 1.00 1.00 H new ATOM 0 HG3 LYS A 73 3.126 13.346 -2.633 1.00 1.00 H new ATOM 0 HD2 LYS A 73 1.127 15.248 -1.383 1.00 0.70 H new ATOM 0 HD3 LYS A 73 2.153 15.739 -2.717 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.325 13.729 -4.003 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.200 13.416 -2.696 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 -0.690 14.714 -4.623 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.927 15.431 -3.102 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 0.291 16.011 -4.133 1.00 0.64 H new ATOM 730 N ALA A 74 0.477 10.904 -2.356 1.00 0.21 N ATOM 731 CA ALA A 74 -0.254 10.551 -3.568 1.00 0.22 C ATOM 732 C ALA A 74 -1.719 10.919 -3.438 1.00 0.26 C ATOM 733 O ALA A 74 -2.227 11.044 -2.335 1.00 0.41 O ATOM 734 CB ALA A 74 -0.122 9.059 -3.858 1.00 0.23 C ATOM 0 H ALA A 74 -0.101 10.980 -1.519 1.00 0.21 H new ATOM 0 HA ALA A 74 0.178 11.113 -4.396 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.674 8.815 -4.766 1.00 0.23 H new ATOM 0 HB2 ALA A 74 0.930 8.806 -3.994 1.00 0.23 H new ATOM 0 HB3 ALA A 74 -0.527 8.489 -3.022 1.00 0.23 H new ATOM 740 N VAL A 75 -2.383 11.123 -4.556 1.00 0.28 N ATOM 741 CA VAL A 75 -3.830 11.241 -4.566 1.00 0.33 C ATOM 742 C VAL A 75 -4.383 10.003 -5.240 1.00 0.29 C ATOM 743 O VAL A 75 -3.883 9.594 -6.290 1.00 0.29 O ATOM 744 CB VAL A 75 -4.315 12.494 -5.316 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.819 12.661 -5.178 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.586 13.736 -4.831 1.00 0.80 C ATOM 0 H VAL A 75 -1.945 11.211 -5.473 1.00 0.28 H new ATOM 0 HA VAL A 75 -4.181 11.335 -3.538 1.00 0.33 H new ATOM 0 HB VAL A 75 -4.085 12.361 -6.373 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -6.137 13.554 -5.717 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -6.322 11.788 -5.594 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -6.079 12.762 -4.124 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.948 14.607 -5.377 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.771 13.874 -3.766 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -2.516 13.620 -5.002 1.00 0.80 H new ATOM 756 N TYR A 76 -5.389 9.393 -4.649 1.00 0.29 N ATOM 757 CA TYR A 76 -5.830 8.096 -5.125 1.00 0.25 C ATOM 758 C TYR A 76 -7.147 8.151 -5.884 1.00 0.29 C ATOM 759 O TYR A 76 -7.976 9.043 -5.686 1.00 0.42 O ATOM 760 CB TYR A 76 -5.894 7.060 -3.993 1.00 0.29 C ATOM 761 CG TYR A 76 -6.649 7.467 -2.749 1.00 0.38 C ATOM 762 CD1 TYR A 76 -8.029 7.588 -2.782 1.00 0.46 C ATOM 763 CD2 TYR A 76 -5.990 7.777 -1.565 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.737 8.002 -1.671 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.691 8.200 -0.450 1.00 0.56 C ATOM 766 CZ TYR A 76 -8.007 8.119 -0.413 1.00 0.64 C ATOM 767 OH TYR A 76 -8.768 8.745 0.591 1.00 0.75 O ATOM 0 H TYR A 76 -5.909 9.764 -3.854 1.00 0.29 H new ATOM 0 HA TYR A 76 -5.071 7.774 -5.838 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.350 6.152 -4.387 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.874 6.806 -3.705 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.560 7.354 -3.693 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -4.915 7.686 -1.515 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.791 8.230 -1.731 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.156 8.600 0.398 1.00 0.56 H new ATOM 0 HH TYR A 76 -8.498 8.402 1.468 1.00 0.75 H new ATOM 777 N SER A 77 -7.301 7.182 -6.772 1.00 0.25 N ATOM 778 CA SER A 77 -8.496 7.022 -7.579 1.00 0.29 C ATOM 779 C SER A 77 -8.827 5.537 -7.682 1.00 0.23 C ATOM 780 O SER A 77 -7.972 4.690 -7.411 1.00 0.26 O ATOM 781 CB SER A 77 -8.278 7.608 -8.967 1.00 0.39 C ATOM 782 OG SER A 77 -7.709 8.905 -8.891 1.00 0.98 O ATOM 0 H SER A 77 -6.588 6.475 -6.954 1.00 0.25 H new ATOM 0 HA SER A 77 -9.326 7.552 -7.111 1.00 0.29 H new ATOM 0 HB2 SER A 77 -7.623 6.954 -9.542 1.00 0.39 H new ATOM 0 HB3 SER A 77 -9.229 7.655 -9.498 1.00 0.39 H new ATOM 0 HG SER A 77 -7.578 9.258 -9.796 1.00 0.98 H new ATOM 788 N PHE A 78 -10.056 5.217 -8.061 1.00 0.20 N ATOM 789 CA PHE A 78 -10.483 3.827 -8.148 1.00 0.20 C ATOM 790 C PHE A 78 -11.053 3.504 -9.520 1.00 0.22 C ATOM 791 O PHE A 78 -11.839 4.272 -10.073 1.00 0.28 O ATOM 792 CB PHE A 78 -11.532 3.520 -7.078 1.00 0.24 C ATOM 793 CG PHE A 78 -10.996 3.564 -5.679 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.396 2.449 -5.126 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.094 4.719 -4.921 1.00 0.37 C ATOM 796 CE1 PHE A 78 -9.903 2.480 -3.840 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.602 4.757 -3.634 1.00 0.47 C ATOM 798 CZ PHE A 78 -10.005 3.636 -3.093 1.00 0.50 C ATOM 0 H PHE A 78 -10.773 5.898 -8.312 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.602 3.206 -7.984 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.349 4.236 -7.167 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -11.952 2.532 -7.266 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.313 1.543 -5.708 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.560 5.598 -5.342 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.438 1.602 -3.417 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.683 5.662 -3.050 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.618 3.664 -2.085 1.00 0.50 H new ATOM 808 N ASN A 79 -10.646 2.366 -10.066 1.00 0.21 N ATOM 809 CA ASN A 79 -11.205 1.875 -11.318 1.00 0.23 C ATOM 810 C ASN A 79 -11.582 0.409 -11.168 1.00 0.26 C ATOM 811 O ASN A 79 -10.709 -0.448 -11.055 1.00 0.31 O ATOM 812 CB ASN A 79 -10.207 2.037 -12.466 1.00 0.31 C ATOM 813 CG ASN A 79 -10.800 1.643 -13.807 1.00 0.45 C ATOM 814 OD1 ASN A 79 -11.998 1.809 -14.044 1.00 0.77 O ATOM 815 ND2 ASN A 79 -9.973 1.106 -14.691 1.00 0.59 N ATOM 0 H ASN A 79 -9.929 1.764 -9.660 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.093 2.462 -11.552 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.873 3.074 -12.510 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.326 1.426 -12.267 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.322 0.814 -15.604 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -8.987 0.984 -14.459 1.00 0.59 H new ATOM 822 N ALA A 80 -12.885 0.133 -11.152 1.00 0.28 N ATOM 823 CA ALA A 80 -13.403 -1.230 -10.995 1.00 0.38 C ATOM 824 C ALA A 80 -12.839 -1.908 -9.742 1.00 0.46 C ATOM 825 O ALA A 80 -12.571 -3.111 -9.738 1.00 0.95 O ATOM 826 CB ALA A 80 -13.097 -2.059 -12.236 1.00 0.45 C ATOM 0 H ALA A 80 -13.611 0.843 -11.247 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.484 -1.163 -10.873 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -13.487 -3.068 -12.105 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.566 -1.599 -13.106 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -12.018 -2.104 -12.387 1.00 0.45 H new ATOM 832 N GLY A 81 -12.650 -1.129 -8.684 1.00 0.24 N ATOM 833 CA GLY A 81 -12.128 -1.673 -7.446 1.00 0.21 C ATOM 834 C GLY A 81 -10.617 -1.583 -7.353 1.00 0.21 C ATOM 835 O GLY A 81 -10.043 -1.784 -6.284 1.00 0.31 O ATOM 0 H GLY A 81 -12.849 -0.129 -8.662 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.571 -1.140 -6.605 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.431 -2.716 -7.357 1.00 0.21 H new ATOM 839 N LYS A 82 -9.966 -1.288 -8.471 1.00 0.19 N ATOM 840 CA LYS A 82 -8.525 -1.131 -8.484 1.00 0.20 C ATOM 841 C LYS A 82 -8.135 0.210 -7.883 1.00 0.20 C ATOM 842 O LYS A 82 -8.578 1.263 -8.347 1.00 0.26 O ATOM 843 CB LYS A 82 -7.979 -1.244 -9.907 1.00 0.23 C ATOM 844 CG LYS A 82 -8.098 -2.637 -10.494 1.00 0.26 C ATOM 845 CD LYS A 82 -7.401 -3.657 -9.612 1.00 0.23 C ATOM 846 CE LYS A 82 -7.348 -5.027 -10.266 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.479 -5.036 -11.472 1.00 1.32 N ATOM 0 H LYS A 82 -10.416 -1.154 -9.377 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.091 -1.930 -7.883 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.512 -0.542 -10.548 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.931 -0.946 -9.910 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.150 -2.902 -10.602 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.661 -2.654 -11.492 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.388 -3.318 -9.396 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -7.923 -3.730 -8.658 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -6.978 -5.758 -9.547 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -8.356 -5.335 -10.543 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -6.265 -6.018 -11.738 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -6.970 -4.564 -12.257 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -5.593 -4.532 -11.265 1.00 1.32 H new ATOM 861 N PHE A 83 -7.315 0.155 -6.854 1.00 0.16 N ATOM 862 CA PHE A 83 -6.877 1.339 -6.140 1.00 0.16 C ATOM 863 C PHE A 83 -5.586 1.880 -6.743 1.00 0.16 C ATOM 864 O PHE A 83 -4.599 1.157 -6.886 1.00 0.17 O ATOM 865 CB PHE A 83 -6.711 0.990 -4.646 1.00 0.15 C ATOM 866 CG PHE A 83 -5.674 1.791 -3.906 1.00 0.16 C ATOM 867 CD1 PHE A 83 -5.993 3.014 -3.345 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.377 1.309 -3.774 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.037 3.745 -2.669 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.418 2.036 -3.095 1.00 0.22 C ATOM 871 CZ PHE A 83 -3.752 3.255 -2.544 1.00 0.22 C ATOM 0 H PHE A 83 -6.931 -0.716 -6.487 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.625 2.127 -6.232 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.672 1.126 -4.150 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.456 -0.067 -4.564 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -6.997 3.400 -3.436 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.116 0.355 -4.207 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.294 4.701 -2.237 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.413 1.652 -2.997 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.006 3.828 -2.013 1.00 0.22 H new ATOM 881 N MET A 84 -5.615 3.153 -7.119 1.00 0.19 N ATOM 882 CA MET A 84 -4.478 3.797 -7.763 1.00 0.19 C ATOM 883 C MET A 84 -4.106 5.072 -7.042 1.00 0.24 C ATOM 884 O MET A 84 -4.956 5.704 -6.434 1.00 0.44 O ATOM 885 CB MET A 84 -4.819 4.124 -9.210 1.00 0.22 C ATOM 886 CG MET A 84 -5.456 2.971 -9.929 1.00 0.21 C ATOM 887 SD MET A 84 -5.931 3.365 -11.611 1.00 0.25 S ATOM 888 CE MET A 84 -6.400 1.726 -12.116 1.00 0.23 C ATOM 0 H MET A 84 -6.421 3.764 -6.987 1.00 0.19 H new ATOM 0 HA MET A 84 -3.633 3.110 -7.728 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.493 4.980 -9.236 1.00 0.22 H new ATOM 0 HB3 MET A 84 -3.910 4.418 -9.736 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.762 2.131 -9.942 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.338 2.648 -9.375 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.132 1.789 -12.921 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.520 1.188 -12.467 1.00 0.23 H new ATOM 0 HE3 MET A 84 -6.836 1.195 -11.270 1.00 0.23 H new ATOM 898 N GLY A 85 -2.842 5.454 -7.130 1.00 0.19 N ATOM 899 CA GLY A 85 -2.385 6.664 -6.479 1.00 0.23 C ATOM 900 C GLY A 85 -1.174 7.259 -7.155 1.00 0.30 C ATOM 901 O GLY A 85 -0.121 6.638 -7.172 1.00 0.61 O ATOM 0 H GLY A 85 -2.121 4.946 -7.643 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -3.192 7.397 -6.474 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -2.146 6.445 -5.438 1.00 0.23 H new ATOM 905 N ASN A 86 -1.307 8.454 -7.717 1.00 0.27 N ATOM 906 CA ASN A 86 -0.176 9.098 -8.381 1.00 0.30 C ATOM 907 C ASN A 86 0.728 9.746 -7.342 1.00 0.24 C ATOM 908 O ASN A 86 0.301 10.638 -6.604 1.00 0.23 O ATOM 909 CB ASN A 86 -0.649 10.133 -9.400 1.00 0.41 C ATOM 910 CG ASN A 86 0.443 10.514 -10.383 1.00 0.58 C ATOM 911 OD1 ASN A 86 1.625 10.537 -10.049 1.00 1.51 O ATOM 912 ND2 ASN A 86 0.054 10.787 -11.615 1.00 0.93 N ATOM 0 H ASN A 86 -2.173 8.992 -7.728 1.00 0.27 H new ATOM 0 HA ASN A 86 0.387 8.337 -8.921 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.505 9.737 -9.947 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -0.991 11.026 -8.876 1.00 0.41 H new ATOM 0 HD21 ASN A 86 0.744 11.027 -12.326 1.00 0.93 H new ATOM 0 HD22 ASN A 86 -0.937 10.758 -11.855 1.00 0.93 H new ATOM 919 N PHE A 87 1.978 9.309 -7.298 1.00 0.23 N ATOM 920 CA PHE A 87 2.861 9.648 -6.197 1.00 0.20 C ATOM 921 C PHE A 87 3.739 10.858 -6.458 1.00 0.22 C ATOM 922 O PHE A 87 4.029 11.229 -7.596 1.00 0.30 O ATOM 923 CB PHE A 87 3.759 8.466 -5.848 1.00 0.24 C ATOM 924 CG PHE A 87 3.053 7.376 -5.107 1.00 0.20 C ATOM 925 CD1 PHE A 87 2.968 7.412 -3.727 1.00 0.23 C ATOM 926 CD2 PHE A 87 2.469 6.326 -5.787 1.00 0.23 C ATOM 927 CE1 PHE A 87 2.310 6.417 -3.036 1.00 0.27 C ATOM 928 CE2 PHE A 87 1.810 5.324 -5.105 1.00 0.27 C ATOM 929 CZ PHE A 87 1.727 5.367 -3.725 1.00 0.28 C ATOM 0 H PHE A 87 2.402 8.719 -8.014 1.00 0.23 H new ATOM 0 HA PHE A 87 2.200 9.898 -5.367 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.179 8.056 -6.766 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.595 8.821 -5.245 1.00 0.24 H new ATOM 0 HD1 PHE A 87 3.422 8.228 -3.185 1.00 0.23 H new ATOM 0 HD2 PHE A 87 2.529 6.289 -6.865 1.00 0.23 H new ATOM 0 HE1 PHE A 87 2.249 6.456 -1.958 1.00 0.27 H new ATOM 0 HE2 PHE A 87 1.359 4.507 -5.648 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.210 4.586 -3.188 1.00 0.28 H new ATOM 939 N ASN A 88 4.134 11.457 -5.352 1.00 0.21 N ATOM 940 CA ASN A 88 5.179 12.461 -5.303 1.00 0.26 C ATOM 941 C ASN A 88 6.166 12.037 -4.236 1.00 0.27 C ATOM 942 O ASN A 88 6.026 12.398 -3.066 1.00 0.42 O ATOM 943 CB ASN A 88 4.623 13.834 -4.955 1.00 0.34 C ATOM 944 CG ASN A 88 5.701 14.907 -4.924 1.00 1.15 C ATOM 945 OD1 ASN A 88 6.692 14.831 -5.650 1.00 2.02 O ATOM 946 ND2 ASN A 88 5.522 15.911 -4.078 1.00 1.66 N ATOM 0 H ASN A 88 3.727 11.254 -4.439 1.00 0.21 H new ATOM 0 HA ASN A 88 5.652 12.537 -6.282 1.00 0.26 H new ATOM 0 HB2 ASN A 88 3.861 14.110 -5.684 1.00 0.34 H new ATOM 0 HB3 ASN A 88 4.132 13.788 -3.983 1.00 0.34 H new ATOM 0 HD21 ASN A 88 6.218 16.654 -4.013 1.00 1.66 H new ATOM 0 HD22 ASN A 88 4.688 15.941 -3.491 1.00 1.66 H new ATOM 953 N VAL A 89 7.129 11.236 -4.632 1.00 0.24 N ATOM 954 CA VAL A 89 8.033 10.614 -3.680 1.00 0.24 C ATOM 955 C VAL A 89 9.413 11.247 -3.720 1.00 0.30 C ATOM 956 O VAL A 89 9.973 11.484 -4.790 1.00 0.34 O ATOM 957 CB VAL A 89 8.214 9.103 -3.935 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.282 8.347 -2.631 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.111 8.530 -4.820 1.00 0.25 C ATOM 0 H VAL A 89 7.310 10.997 -5.607 1.00 0.24 H new ATOM 0 HA VAL A 89 7.569 10.768 -2.706 1.00 0.24 H new ATOM 0 HB VAL A 89 9.157 8.981 -4.468 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.410 7.284 -2.833 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.126 8.709 -2.044 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.359 8.502 -2.072 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.282 7.464 -4.971 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.144 8.678 -4.338 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.117 9.038 -5.784 1.00 0.25 H new ATOM 969 N LYS A 90 9.947 11.506 -2.545 1.00 0.33 N ATOM 970 CA LYS A 90 11.342 11.873 -2.401 1.00 0.41 C ATOM 971 C LYS A 90 12.107 10.595 -2.100 1.00 0.33 C ATOM 972 O LYS A 90 11.625 9.746 -1.346 1.00 0.35 O ATOM 973 CB LYS A 90 11.538 12.934 -1.300 1.00 0.54 C ATOM 974 CG LYS A 90 12.151 12.418 -0.005 1.00 0.99 C ATOM 975 CD LYS A 90 12.539 13.567 0.916 1.00 1.48 C ATOM 976 CE LYS A 90 13.384 13.096 2.092 1.00 2.27 C ATOM 977 NZ LYS A 90 12.575 12.401 3.127 1.00 2.81 N ATOM 0 H LYS A 90 9.430 11.469 -1.666 1.00 0.33 H new ATOM 0 HA LYS A 90 11.716 12.330 -3.317 1.00 0.41 H new ATOM 0 HB2 LYS A 90 12.172 13.729 -1.692 1.00 0.54 H new ATOM 0 HB3 LYS A 90 10.571 13.381 -1.072 1.00 0.54 H new ATOM 0 HG2 LYS A 90 11.440 11.766 0.502 1.00 0.99 H new ATOM 0 HG3 LYS A 90 13.031 11.816 -0.231 1.00 0.99 H new ATOM 0 HD2 LYS A 90 13.093 14.315 0.349 1.00 1.48 H new ATOM 0 HD3 LYS A 90 11.637 14.053 1.289 1.00 1.48 H new ATOM 0 HE2 LYS A 90 14.162 12.424 1.731 1.00 2.27 H new ATOM 0 HE3 LYS A 90 13.886 13.953 2.542 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 13.180 11.739 3.653 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 12.176 13.102 3.784 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 11.803 11.876 2.669 1.00 2.81 H new ATOM 991 N GLU A 91 13.269 10.434 -2.696 1.00 0.41 N ATOM 992 CA GLU A 91 13.909 9.132 -2.714 1.00 0.44 C ATOM 993 C GLU A 91 15.423 9.240 -2.741 1.00 0.46 C ATOM 994 O GLU A 91 16.000 10.169 -3.304 1.00 0.62 O ATOM 995 CB GLU A 91 13.435 8.348 -3.924 1.00 0.72 C ATOM 996 CG GLU A 91 13.686 6.860 -3.859 1.00 0.52 C ATOM 997 CD GLU A 91 13.567 6.214 -5.224 1.00 1.20 C ATOM 998 OE1 GLU A 91 13.875 6.896 -6.227 1.00 1.68 O ATOM 999 OE2 GLU A 91 13.190 5.031 -5.310 1.00 1.57 O ATOM 0 H GLU A 91 13.786 11.176 -3.169 1.00 0.41 H new ATOM 0 HA GLU A 91 13.630 8.615 -1.796 1.00 0.44 H new ATOM 0 HB2 GLU A 91 12.365 8.516 -4.050 1.00 0.72 H new ATOM 0 HB3 GLU A 91 13.927 8.746 -4.811 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.681 6.676 -3.454 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.973 6.400 -3.175 1.00 0.52 H new ATOM 1006 N VAL A 92 16.032 8.265 -2.111 1.00 0.45 N ATOM 1007 CA VAL A 92 17.478 8.159 -1.993 1.00 0.43 C ATOM 1008 C VAL A 92 17.955 6.893 -2.700 1.00 0.41 C ATOM 1009 O VAL A 92 17.166 5.989 -2.951 1.00 0.40 O ATOM 1010 CB VAL A 92 17.907 8.092 -0.517 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.341 9.254 0.253 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.479 6.789 0.102 1.00 0.40 C ATOM 0 H VAL A 92 15.531 7.503 -1.654 1.00 0.45 H new ATOM 0 HA VAL A 92 17.923 9.042 -2.451 1.00 0.43 H new ATOM 0 HB VAL A 92 18.995 8.150 -0.475 1.00 0.44 H new ATOM 0 HG11 VAL A 92 17.656 9.188 1.294 1.00 0.53 H new ATOM 0 HG12 VAL A 92 17.704 10.187 -0.178 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.253 9.229 0.201 1.00 0.53 H new ATOM 0 HG21 VAL A 92 17.792 6.762 1.146 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.394 6.699 0.046 1.00 0.40 H new ATOM 0 HG23 VAL A 92 17.940 5.961 -0.437 1.00 0.40 H new ATOM 1022 N ASP A 93 19.219 6.834 -3.050 1.00 0.44 N ATOM 1023 CA ASP A 93 19.789 5.616 -3.584 1.00 0.45 C ATOM 1024 C ASP A 93 20.730 5.007 -2.560 1.00 0.46 C ATOM 1025 O ASP A 93 21.419 5.724 -1.833 1.00 0.57 O ATOM 1026 CB ASP A 93 20.511 5.909 -4.894 1.00 0.56 C ATOM 1027 CG ASP A 93 21.857 6.578 -4.705 1.00 1.17 C ATOM 1028 OD1 ASP A 93 21.899 7.822 -4.634 1.00 1.78 O ATOM 1029 OD2 ASP A 93 22.882 5.867 -4.650 1.00 1.83 O ATOM 0 H ASP A 93 19.873 7.613 -2.975 1.00 0.44 H new ATOM 0 HA ASP A 93 18.996 4.898 -3.793 1.00 0.45 H new ATOM 0 HB2 ASP A 93 20.651 4.976 -5.439 1.00 0.56 H new ATOM 0 HB3 ASP A 93 19.880 6.548 -5.512 1.00 0.56 H new ATOM 1034 N GLY A 94 20.731 3.687 -2.469 1.00 0.42 N ATOM 1035 CA GLY A 94 21.570 3.027 -1.494 1.00 0.43 C ATOM 1036 C GLY A 94 20.794 2.565 -0.274 1.00 0.40 C ATOM 1037 O GLY A 94 21.161 1.582 0.366 1.00 0.48 O ATOM 0 H GLY A 94 20.169 3.064 -3.049 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.054 2.168 -1.959 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.361 3.708 -1.180 1.00 0.43 H new ATOM 1041 N CYS A 95 19.707 3.258 0.036 1.00 0.33 N ATOM 1042 CA CYS A 95 18.891 2.931 1.204 1.00 0.31 C ATOM 1043 C CYS A 95 17.941 1.814 0.829 1.00 0.27 C ATOM 1044 O CYS A 95 17.616 0.940 1.630 1.00 0.32 O ATOM 1045 CB CYS A 95 18.116 4.168 1.658 1.00 0.33 C ATOM 1046 SG CYS A 95 17.143 3.947 3.181 1.00 0.42 S ATOM 0 H CYS A 95 19.367 4.053 -0.505 1.00 0.33 H new ATOM 0 HA CYS A 95 19.525 2.607 2.029 1.00 0.31 H new ATOM 0 HB2 CYS A 95 18.821 4.985 1.810 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.444 4.472 0.856 1.00 0.33 H new ATOM 1051 N PHE A 96 17.516 1.861 -0.416 1.00 0.24 N ATOM 1052 CA PHE A 96 16.755 0.787 -1.019 1.00 0.23 C ATOM 1053 C PHE A 96 17.714 -0.016 -1.891 1.00 0.24 C ATOM 1054 O PHE A 96 17.322 -0.581 -2.909 1.00 0.23 O ATOM 1055 CB PHE A 96 15.613 1.350 -1.880 1.00 0.24 C ATOM 1056 CG PHE A 96 15.013 2.622 -1.348 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.628 3.814 -1.630 1.00 0.30 C ATOM 1058 CD2 PHE A 96 13.868 2.638 -0.563 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.133 5.004 -1.144 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.365 3.826 -0.080 1.00 0.24 C ATOM 1061 CZ PHE A 96 14.006 5.009 -0.366 1.00 0.31 C ATOM 0 H PHE A 96 17.689 2.648 -1.041 1.00 0.24 H new ATOM 0 HA PHE A 96 16.311 0.159 -0.247 1.00 0.23 H new ATOM 0 HB2 PHE A 96 15.987 1.531 -2.888 1.00 0.24 H new ATOM 0 HB3 PHE A 96 14.829 0.597 -1.962 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.516 3.820 -2.244 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.367 1.710 -0.329 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.633 5.932 -1.376 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.469 3.829 0.522 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.621 5.940 0.022 1.00 0.31 H new ATOM 1071 N MET A 97 18.984 -0.039 -1.471 1.00 0.27 N ATOM 1072 CA MET A 97 20.068 -0.632 -2.246 1.00 0.29 C ATOM 1073 C MET A 97 19.913 -0.318 -3.727 1.00 0.31 C ATOM 1074 O MET A 97 19.896 0.849 -4.124 1.00 0.40 O ATOM 1075 CB MET A 97 20.119 -2.143 -2.022 1.00 0.29 C ATOM 1076 CG MET A 97 20.243 -2.532 -0.564 1.00 0.33 C ATOM 1077 SD MET A 97 20.628 -4.276 -0.345 1.00 0.45 S ATOM 1078 CE MET A 97 20.601 -4.381 1.436 1.00 1.22 C ATOM 0 H MET A 97 19.285 0.356 -0.580 1.00 0.27 H new ATOM 0 HA MET A 97 21.007 -0.197 -1.904 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.217 -2.595 -2.435 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.964 -2.556 -2.573 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.022 -1.930 -0.096 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.310 -2.302 -0.050 1.00 0.33 H new ATOM 0 HE1 MET A 97 20.822 -5.403 1.744 1.00 1.22 H new ATOM 0 HE2 MET A 97 21.350 -3.707 1.852 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.615 -4.097 1.802 1.00 1.22 H new ATOM 1088 N ASP A 98 19.782 -1.363 -4.526 1.00 0.30 N ATOM 1089 CA ASP A 98 19.472 -1.215 -5.940 1.00 0.31 C ATOM 1090 C ASP A 98 18.240 -2.018 -6.290 1.00 0.26 C ATOM 1091 O ASP A 98 17.331 -1.524 -6.953 1.00 0.25 O ATOM 1092 CB ASP A 98 20.643 -1.664 -6.819 1.00 0.40 C ATOM 1093 CG ASP A 98 21.827 -0.719 -6.773 1.00 1.01 C ATOM 1094 OD1 ASP A 98 21.809 0.303 -7.488 1.00 1.64 O ATOM 1095 OD2 ASP A 98 22.800 -1.011 -6.042 1.00 1.19 O ATOM 0 H ASP A 98 19.886 -2.330 -4.218 1.00 0.30 H new ATOM 0 HA ASP A 98 19.286 -0.158 -6.130 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.966 -2.655 -6.502 1.00 0.40 H new ATOM 0 HB3 ASP A 98 20.300 -1.755 -7.850 1.00 0.40 H new ATOM 1100 N ALA A 99 18.181 -3.243 -5.795 1.00 0.24 N ATOM 1101 CA ALA A 99 17.120 -4.147 -6.184 1.00 0.24 C ATOM 1102 C ALA A 99 15.875 -3.878 -5.364 1.00 0.20 C ATOM 1103 O ALA A 99 14.753 -4.166 -5.782 1.00 0.20 O ATOM 1104 CB ALA A 99 17.566 -5.591 -6.051 1.00 0.28 C ATOM 0 H ALA A 99 18.850 -3.629 -5.129 1.00 0.24 H new ATOM 0 HA ALA A 99 16.880 -3.972 -7.233 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.752 -6.252 -6.349 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.429 -5.766 -6.693 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.838 -5.794 -5.015 1.00 0.28 H new ATOM 1110 N GLN A 100 16.086 -3.320 -4.189 1.00 0.18 N ATOM 1111 CA GLN A 100 14.992 -2.939 -3.319 1.00 0.16 C ATOM 1112 C GLN A 100 14.281 -1.739 -3.913 1.00 0.14 C ATOM 1113 O GLN A 100 13.062 -1.615 -3.841 1.00 0.13 O ATOM 1114 CB GLN A 100 15.508 -2.584 -1.938 1.00 0.19 C ATOM 1115 CG GLN A 100 16.589 -3.514 -1.443 1.00 0.23 C ATOM 1116 CD GLN A 100 16.753 -3.456 0.051 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.488 -2.627 0.581 1.00 0.83 O ATOM 1118 NE2 GLN A 100 16.072 -4.341 0.741 1.00 1.27 N ATOM 0 H GLN A 100 17.013 -3.119 -3.813 1.00 0.18 H new ATOM 0 HA GLN A 100 14.303 -3.778 -3.229 1.00 0.16 H new ATOM 0 HB2 GLN A 100 15.895 -1.565 -1.954 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.677 -2.598 -1.233 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.351 -4.535 -1.741 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.534 -3.255 -1.920 1.00 0.23 H new ATOM 0 HE21 GLN A 100 15.473 -5.012 0.260 1.00 1.27 H new ATOM 0 HE22 GLN A 100 16.142 -4.358 1.758 1.00 1.27 H new ATOM 1127 N LYS A 101 15.076 -0.850 -4.481 1.00 0.16 N ATOM 1128 CA LYS A 101 14.563 0.297 -5.210 1.00 0.17 C ATOM 1129 C LYS A 101 13.701 -0.171 -6.374 1.00 0.17 C ATOM 1130 O LYS A 101 12.580 0.291 -6.554 1.00 0.17 O ATOM 1131 CB LYS A 101 15.714 1.152 -5.734 1.00 0.23 C ATOM 1132 CG LYS A 101 15.240 2.423 -6.387 1.00 0.28 C ATOM 1133 CD LYS A 101 16.382 3.224 -6.986 1.00 0.50 C ATOM 1134 CE LYS A 101 15.960 4.653 -7.286 1.00 1.21 C ATOM 1135 NZ LYS A 101 14.575 4.730 -7.829 1.00 1.85 N ATOM 0 H LYS A 101 16.094 -0.902 -4.450 1.00 0.16 H new ATOM 0 HA LYS A 101 13.958 0.898 -4.532 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.383 1.399 -4.910 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.294 0.573 -6.453 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.520 2.181 -7.169 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.718 3.034 -5.651 1.00 0.28 H new ATOM 0 HD2 LYS A 101 17.226 3.230 -6.296 1.00 0.50 H new ATOM 0 HD3 LYS A 101 16.723 2.744 -7.903 1.00 0.50 H new ATOM 0 HE2 LYS A 101 16.024 5.248 -6.375 1.00 1.21 H new ATOM 0 HE3 LYS A 101 16.654 5.092 -8.003 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 14.425 5.661 -8.267 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 14.440 3.986 -8.543 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 13.891 4.597 -7.057 1.00 1.85 H new ATOM 1149 N ILE A 102 14.257 -1.075 -7.169 1.00 0.17 N ATOM 1150 CA ILE A 102 13.502 -1.769 -8.207 1.00 0.18 C ATOM 1151 C ILE A 102 12.192 -2.324 -7.656 1.00 0.15 C ATOM 1152 O ILE A 102 11.135 -2.143 -8.255 1.00 0.15 O ATOM 1153 CB ILE A 102 14.329 -2.921 -8.789 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.628 -2.364 -9.360 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.543 -3.671 -9.861 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.657 -3.422 -9.675 1.00 0.25 C ATOM 0 H ILE A 102 15.238 -1.348 -7.115 1.00 0.17 H new ATOM 0 HA ILE A 102 13.278 -1.045 -8.991 1.00 0.18 H new ATOM 0 HB ILE A 102 14.559 -3.632 -7.996 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.405 -1.805 -10.269 1.00 0.23 H new ATOM 0 HG13 ILE A 102 16.054 -1.657 -8.648 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.152 -4.483 -10.258 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.632 -4.081 -9.425 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.283 -2.986 -10.668 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.553 -2.950 -10.077 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.910 -3.965 -8.765 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.252 -4.116 -10.411 1.00 0.25 H new ATOM 1168 N ALA A 103 12.275 -2.997 -6.513 1.00 0.13 N ATOM 1169 CA ALA A 103 11.097 -3.518 -5.825 1.00 0.11 C ATOM 1170 C ALA A 103 10.067 -2.419 -5.606 1.00 0.10 C ATOM 1171 O ALA A 103 8.866 -2.628 -5.749 1.00 0.10 O ATOM 1172 CB ALA A 103 11.496 -4.104 -4.485 1.00 0.11 C ATOM 0 H ALA A 103 13.156 -3.196 -6.039 1.00 0.13 H new ATOM 0 HA ALA A 103 10.656 -4.295 -6.450 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.611 -4.490 -3.979 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.208 -4.914 -4.640 1.00 0.11 H new ATOM 0 HB3 ALA A 103 11.956 -3.329 -3.871 1.00 0.11 H new ATOM 1178 N ILE A 104 10.569 -1.245 -5.272 1.00 0.10 N ATOM 1179 CA ILE A 104 9.741 -0.094 -4.973 1.00 0.11 C ATOM 1180 C ILE A 104 9.183 0.520 -6.246 1.00 0.12 C ATOM 1181 O ILE A 104 8.039 0.973 -6.281 1.00 0.13 O ATOM 1182 CB ILE A 104 10.565 0.928 -4.178 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.788 0.396 -2.780 1.00 0.14 C ATOM 1184 CG2 ILE A 104 9.920 2.299 -4.121 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.291 1.443 -1.838 1.00 0.17 C ATOM 0 H ILE A 104 11.570 -1.063 -5.200 1.00 0.10 H new ATOM 0 HA ILE A 104 8.890 -0.410 -4.369 1.00 0.11 H new ATOM 0 HB ILE A 104 11.515 1.060 -4.696 1.00 0.11 H new ATOM 0 HG12 ILE A 104 9.853 -0.012 -2.397 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.503 -0.426 -2.818 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.552 2.975 -3.545 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.801 2.687 -5.132 1.00 0.15 H new ATOM 0 HG23 ILE A 104 8.943 2.222 -3.645 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.433 1.005 -0.850 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.241 1.834 -2.202 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.566 2.254 -1.775 1.00 0.17 H new ATOM 1197 N ASP A 105 9.996 0.516 -7.292 1.00 0.13 N ATOM 1198 CA ASP A 105 9.540 0.910 -8.620 1.00 0.16 C ATOM 1199 C ASP A 105 8.373 0.034 -9.024 1.00 0.14 C ATOM 1200 O ASP A 105 7.335 0.509 -9.488 1.00 0.17 O ATOM 1201 CB ASP A 105 10.660 0.734 -9.632 1.00 0.21 C ATOM 1202 CG ASP A 105 10.222 1.057 -11.045 1.00 0.36 C ATOM 1203 OD1 ASP A 105 10.157 2.253 -11.396 1.00 0.53 O ATOM 1204 OD2 ASP A 105 9.947 0.115 -11.817 1.00 0.44 O ATOM 0 H ASP A 105 10.978 0.244 -7.248 1.00 0.13 H new ATOM 0 HA ASP A 105 9.237 1.957 -8.596 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.496 1.377 -9.359 1.00 0.21 H new ATOM 0 HB3 ASP A 105 11.022 -0.293 -9.593 1.00 0.21 H new ATOM 1209 N LYS A 106 8.575 -1.253 -8.815 1.00 0.13 N ATOM 1210 CA LYS A 106 7.549 -2.256 -9.036 1.00 0.13 C ATOM 1211 C LYS A 106 6.308 -1.949 -8.204 1.00 0.12 C ATOM 1212 O LYS A 106 5.199 -1.888 -8.730 1.00 0.14 O ATOM 1213 CB LYS A 106 8.096 -3.633 -8.656 1.00 0.14 C ATOM 1214 CG LYS A 106 9.189 -4.135 -9.569 1.00 0.16 C ATOM 1215 CD LYS A 106 10.075 -5.160 -8.874 1.00 0.18 C ATOM 1216 CE LYS A 106 10.961 -5.887 -9.867 1.00 0.22 C ATOM 1217 NZ LYS A 106 11.931 -6.799 -9.206 1.00 0.29 N ATOM 0 H LYS A 106 9.461 -1.635 -8.485 1.00 0.13 H new ATOM 0 HA LYS A 106 7.270 -2.247 -10.090 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.479 -3.591 -7.637 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.276 -4.351 -8.659 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.744 -4.582 -10.458 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.798 -3.295 -9.904 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.694 -4.662 -8.128 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.453 -5.881 -8.343 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.337 -6.461 -10.553 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.505 -5.157 -10.466 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 12.009 -7.679 -9.754 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 12.862 -6.338 -9.156 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.601 -7.018 -8.244 1.00 0.29 H new ATOM 1231 N LEU A 107 6.513 -1.717 -6.910 1.00 0.10 N ATOM 1232 CA LEU A 107 5.422 -1.478 -5.975 1.00 0.11 C ATOM 1233 C LEU A 107 4.638 -0.215 -6.330 1.00 0.10 C ATOM 1234 O LEU A 107 3.415 -0.250 -6.393 1.00 0.11 O ATOM 1235 CB LEU A 107 5.986 -1.409 -4.536 1.00 0.13 C ATOM 1236 CG LEU A 107 5.746 -0.111 -3.750 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.325 -0.027 -3.219 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.745 0.006 -2.612 1.00 0.15 C ATOM 0 H LEU A 107 7.439 -1.690 -6.483 1.00 0.10 H new ATOM 0 HA LEU A 107 4.718 -2.307 -6.041 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.558 -2.233 -3.966 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.061 -1.580 -4.586 1.00 0.13 H new ATOM 0 HG LEU A 107 5.888 0.723 -4.437 1.00 0.11 H new ATOM 0 HD11 LEU A 107 4.197 0.905 -2.669 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.623 -0.057 -4.052 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.135 -0.869 -2.554 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.564 0.930 -2.063 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.631 -0.844 -1.939 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.757 0.016 -3.016 1.00 0.15 H new ATOM 1250 N PHE A 108 5.336 0.877 -6.592 1.00 0.10 N ATOM 1251 CA PHE A 108 4.675 2.153 -6.851 1.00 0.11 C ATOM 1252 C PHE A 108 3.940 2.162 -8.188 1.00 0.12 C ATOM 1253 O PHE A 108 2.897 2.804 -8.325 1.00 0.14 O ATOM 1254 CB PHE A 108 5.666 3.313 -6.763 1.00 0.12 C ATOM 1255 CG PHE A 108 5.917 3.771 -5.349 1.00 0.12 C ATOM 1256 CD1 PHE A 108 4.989 3.531 -4.348 1.00 0.15 C ATOM 1257 CD2 PHE A 108 7.092 4.432 -5.021 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.232 3.943 -3.049 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.336 4.846 -3.728 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.355 4.630 -2.741 1.00 0.14 C ATOM 0 H PHE A 108 6.355 0.910 -6.632 1.00 0.10 H new ATOM 0 HA PHE A 108 3.923 2.285 -6.073 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.611 3.010 -7.214 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.288 4.151 -7.348 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.068 3.018 -4.583 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.826 4.625 -5.789 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.517 3.713 -2.273 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.268 5.330 -3.476 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.499 5.012 -1.741 1.00 0.14 H new ATOM 1270 N SER A 109 4.465 1.444 -9.170 1.00 0.13 N ATOM 1271 CA SER A 109 3.794 1.324 -10.456 1.00 0.14 C ATOM 1272 C SER A 109 2.538 0.468 -10.309 1.00 0.14 C ATOM 1273 O SER A 109 1.564 0.652 -11.035 1.00 0.16 O ATOM 1274 CB SER A 109 4.745 0.718 -11.495 1.00 0.17 C ATOM 1275 OG SER A 109 4.140 0.648 -12.776 1.00 1.14 O ATOM 0 H SER A 109 5.348 0.938 -9.102 1.00 0.13 H new ATOM 0 HA SER A 109 3.500 2.316 -10.799 1.00 0.14 H new ATOM 0 HB2 SER A 109 5.653 1.319 -11.553 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.043 -0.281 -11.177 1.00 0.17 H new ATOM 0 HG SER A 109 4.772 0.259 -13.416 1.00 1.14 H new ATOM 1281 N MET A 110 2.560 -0.448 -9.342 1.00 0.13 N ATOM 1282 CA MET A 110 1.429 -1.340 -9.090 1.00 0.14 C ATOM 1283 C MET A 110 0.170 -0.578 -8.741 1.00 0.14 C ATOM 1284 O MET A 110 -0.871 -0.794 -9.355 1.00 0.16 O ATOM 1285 CB MET A 110 1.723 -2.273 -7.933 1.00 0.13 C ATOM 1286 CG MET A 110 2.719 -3.366 -8.222 1.00 0.17 C ATOM 1287 SD MET A 110 2.714 -4.579 -6.903 1.00 0.23 S ATOM 1288 CE MET A 110 2.347 -3.517 -5.513 1.00 0.14 C ATOM 0 H MET A 110 3.353 -0.592 -8.717 1.00 0.13 H new ATOM 0 HA MET A 110 1.277 -1.899 -10.013 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.092 -1.681 -7.095 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.788 -2.732 -7.612 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.475 -3.848 -9.169 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.716 -2.939 -8.329 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.411 -4.092 -4.589 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.065 -2.698 -5.481 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.340 -3.113 -5.620 1.00 0.14 H new ATOM 1298 N LEU A 111 0.259 0.308 -7.747 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.922 1.030 -7.295 1.00 0.15 C ATOM 1300 C LEU A 111 -1.469 1.825 -8.453 1.00 0.17 C ATOM 1301 O LEU A 111 -2.657 1.823 -8.728 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.640 2.018 -6.153 1.00 0.17 C ATOM 1303 CG LEU A 111 0.303 1.582 -5.023 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.173 0.097 -4.707 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.739 1.963 -5.348 1.00 0.15 C ATOM 0 H LEU A 111 1.120 0.537 -7.251 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.622 0.282 -6.923 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.230 2.927 -6.594 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.596 2.285 -5.702 1.00 0.17 H new ATOM 0 HG LEU A 111 0.006 2.117 -4.121 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.859 -0.165 -3.902 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.849 -0.121 -4.398 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.416 -0.487 -5.595 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.392 1.646 -4.535 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.045 1.473 -6.272 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.810 3.044 -5.470 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.560 2.474 -9.152 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.912 3.368 -10.231 1.00 0.22 C ATOM 1319 C LYS A 112 -1.466 2.603 -11.424 1.00 0.21 C ATOM 1320 O LYS A 112 -2.196 3.164 -12.242 1.00 0.24 O ATOM 1321 CB LYS A 112 0.314 4.176 -10.627 1.00 0.29 C ATOM 1322 CG LYS A 112 0.687 5.226 -9.597 1.00 0.36 C ATOM 1323 CD LYS A 112 1.818 6.103 -10.076 1.00 0.47 C ATOM 1324 CE LYS A 112 1.365 6.970 -11.229 1.00 1.22 C ATOM 1325 NZ LYS A 112 2.430 7.906 -11.682 1.00 1.82 N ATOM 0 H LYS A 112 0.443 2.395 -8.986 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.697 4.043 -9.890 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.157 3.500 -10.771 1.00 0.29 H new ATOM 0 HB3 LYS A 112 0.128 4.663 -11.584 1.00 0.29 H new ATOM 0 HG2 LYS A 112 -0.183 5.844 -9.376 1.00 0.36 H new ATOM 0 HG3 LYS A 112 0.975 4.737 -8.667 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.170 6.731 -9.258 1.00 0.47 H new ATOM 0 HD3 LYS A 112 2.659 5.484 -10.388 1.00 0.47 H new ATOM 0 HE2 LYS A 112 1.064 6.335 -12.062 1.00 1.22 H new ATOM 0 HE3 LYS A 112 0.486 7.541 -10.929 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 2.337 8.068 -12.705 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 2.335 8.811 -11.178 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 3.363 7.494 -11.480 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.120 1.323 -11.519 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.649 0.469 -12.568 1.00 0.22 C ATOM 1341 C ASP A 113 -2.973 -0.104 -12.106 1.00 0.21 C ATOM 1342 O ASP A 113 -3.792 -0.583 -12.894 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.665 -0.653 -12.851 1.00 0.25 C ATOM 1344 CG ASP A 113 -0.985 -1.412 -14.126 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -1.032 -0.783 -15.205 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -1.175 -2.643 -14.062 1.00 0.46 O ATOM 0 H ASP A 113 -0.475 0.857 -10.880 1.00 0.20 H new ATOM 0 HA ASP A 113 -1.799 1.044 -13.482 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.340 -0.238 -12.924 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.663 -1.348 -12.011 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.151 -0.044 -10.803 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.389 -0.434 -10.180 1.00 0.17 C ATOM 1353 C GLY A 114 -4.222 -1.647 -9.297 1.00 0.15 C ATOM 1354 O GLY A 114 -4.390 -2.781 -9.749 1.00 0.18 O ATOM 0 H GLY A 114 -2.438 0.278 -10.149 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.773 0.396 -9.587 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.131 -0.646 -10.950 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.889 -1.414 -8.038 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.733 -2.493 -7.084 1.00 0.12 C ATOM 1360 C VAL A 115 -5.004 -2.601 -6.255 1.00 0.12 C ATOM 1361 O VAL A 115 -5.565 -1.594 -5.840 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.492 -2.276 -6.171 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.867 -2.079 -4.716 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.508 -3.416 -6.322 1.00 0.14 C ATOM 0 H VAL A 115 -3.722 -0.484 -7.655 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.566 -3.424 -7.626 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.014 -1.354 -6.502 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.964 -1.932 -4.124 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.509 -1.204 -4.621 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.398 -2.960 -4.355 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.648 -3.243 -5.674 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -1.990 -4.353 -6.042 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.175 -3.475 -7.358 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.486 -3.803 -6.050 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.681 -3.990 -5.262 1.00 0.13 C ATOM 1376 C VAL A 116 -6.349 -4.617 -3.918 1.00 0.10 C ATOM 1377 O VAL A 116 -5.647 -5.625 -3.834 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.739 -4.819 -6.022 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.164 -6.128 -6.517 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -8.983 -5.047 -5.165 1.00 0.23 C ATOM 0 H VAL A 116 -5.073 -4.661 -6.415 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.114 -3.007 -5.078 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.041 -4.244 -6.897 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -7.935 -6.687 -7.047 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.332 -5.928 -7.192 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.810 -6.714 -5.669 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.710 -5.634 -5.727 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.706 -5.585 -4.258 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.422 -4.086 -4.897 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.823 -3.965 -2.874 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.642 -4.429 -1.511 1.00 0.11 C ATOM 1392 C LEU A 117 -7.642 -5.551 -1.249 1.00 0.12 C ATOM 1393 O LEU A 117 -8.838 -5.346 -1.435 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.862 -3.254 -0.547 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.760 -2.169 -0.494 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.814 -2.230 -1.686 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.396 -0.786 -0.402 1.00 0.24 C ATOM 0 H LEU A 117 -7.348 -3.093 -2.947 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.633 -4.811 -1.358 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.801 -2.769 -0.814 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -6.986 -3.659 0.457 1.00 0.15 H new ATOM 0 HG LEU A 117 -5.162 -2.364 0.396 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -4.063 -1.446 -1.595 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.322 -3.203 -1.711 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.379 -2.085 -2.607 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.614 -0.028 -0.365 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -7.025 -0.616 -1.276 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -7.004 -0.724 0.501 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.144 -6.727 -0.834 1.00 0.14 N ATOM 1410 CA LYS A 118 -7.945 -7.959 -0.720 1.00 0.18 C ATOM 1411 C LYS A 118 -7.035 -9.172 -0.850 1.00 0.22 C ATOM 1412 O LYS A 118 -5.937 -9.075 -1.395 1.00 0.27 O ATOM 1413 CB LYS A 118 -9.044 -8.064 -1.795 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.439 -7.705 -1.290 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.500 -7.892 -2.363 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.425 -6.819 -3.431 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.256 -7.165 -4.618 1.00 0.80 N ATOM 0 H LYS A 118 -6.168 -6.852 -0.566 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.430 -7.926 0.255 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.789 -7.407 -2.627 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -9.060 -9.081 -2.186 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.683 -8.325 -0.427 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.446 -6.669 -0.950 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.379 -8.872 -2.825 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.488 -7.876 -1.902 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.761 -5.868 -3.016 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.388 -6.684 -3.739 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -12.194 -6.400 -5.320 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -11.909 -8.051 -5.038 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.247 -7.286 -4.325 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.494 -10.305 -0.345 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.748 -11.539 -0.487 1.00 0.38 C ATOM 1433 C GLY A 119 -7.379 -12.686 0.275 1.00 0.53 C ATOM 1434 O GLY A 119 -7.162 -12.827 1.481 1.00 0.85 O ATOM 0 H GLY A 119 -8.374 -10.394 0.163 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -6.682 -11.801 -1.543 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -5.729 -11.387 -0.132 1.00 0.38 H new ATOM 1519 N THR A 125 -6.109 -7.391 7.855 1.00 0.54 N ATOM 1520 CA THR A 125 -4.876 -7.022 7.183 1.00 0.40 C ATOM 1521 C THR A 125 -5.160 -6.643 5.734 1.00 0.29 C ATOM 1522 O THR A 125 -6.041 -7.217 5.095 1.00 0.34 O ATOM 1523 CB THR A 125 -3.839 -8.164 7.235 1.00 0.39 C ATOM 1524 OG1 THR A 125 -3.662 -8.614 8.585 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.506 -7.697 6.686 1.00 0.37 C ATOM 0 HA THR A 125 -4.457 -6.163 7.706 1.00 0.40 H new ATOM 0 HB THR A 125 -4.210 -8.987 6.624 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.511 -8.537 9.069 1.00 0.51 H new ATOM 0 HG21 THR A 125 -1.787 -8.515 6.731 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.630 -7.379 5.651 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.140 -6.860 7.281 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.420 -5.670 5.226 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.619 -5.193 3.870 1.00 0.15 C ATOM 1535 C ILE A 126 -3.619 -5.857 2.932 1.00 0.14 C ATOM 1536 O ILE A 126 -2.424 -5.889 3.212 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.472 -3.659 3.785 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.116 -3.004 5.019 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.123 -3.150 2.510 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.142 -1.488 4.997 1.00 0.16 C ATOM 0 H ILE A 126 -3.675 -5.195 5.735 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.633 -5.455 3.569 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.414 -3.397 3.765 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.139 -3.369 5.114 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.577 -3.331 5.908 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.017 -2.067 2.455 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.639 -3.607 1.647 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.181 -3.411 2.513 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.614 -1.119 5.907 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.122 -1.107 4.937 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.708 -1.146 4.130 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.102 -6.394 1.824 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.238 -7.116 0.902 1.00 0.12 C ATOM 1554 C LEU A 127 -3.220 -6.414 -0.448 1.00 0.11 C ATOM 1555 O LEU A 127 -4.250 -5.944 -0.918 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.698 -8.573 0.766 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.937 -9.296 2.095 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.444 -10.710 1.863 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.661 -9.326 2.913 1.00 0.20 C ATOM 0 H LEU A 127 -5.081 -6.345 1.541 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.222 -7.125 1.296 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.620 -8.596 0.185 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.949 -9.125 0.198 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.700 -8.747 2.647 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.605 -11.201 2.823 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.383 -10.674 1.311 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.707 -11.271 1.288 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.845 -9.843 3.855 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.884 -9.851 2.357 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.335 -8.306 3.116 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.046 -6.334 -1.052 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.854 -5.571 -2.289 1.00 0.11 C ATOM 1573 C ILE A 128 -1.685 -6.500 -3.496 1.00 0.13 C ATOM 1574 O ILE A 128 -0.670 -7.194 -3.627 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.617 -4.644 -2.183 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.773 -3.652 -1.033 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.381 -3.902 -3.480 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.400 -2.706 -0.888 1.00 0.12 C ATOM 0 H ILE A 128 -1.201 -6.790 -0.708 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.748 -4.964 -2.432 1.00 0.11 H new ATOM 0 HB ILE A 128 0.249 -5.275 -1.982 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.682 -3.070 -1.186 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -0.901 -4.204 -0.102 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.493 -3.259 -3.377 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.212 -4.619 -4.284 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.254 -3.293 -3.715 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.221 -2.030 -0.052 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.309 -3.279 -0.703 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.516 -2.127 -1.804 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.664 -6.487 -4.394 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.679 -7.400 -5.517 1.00 0.19 C ATOM 1592 C GLU A 129 -2.944 -6.657 -6.832 1.00 0.17 C ATOM 1593 O GLU A 129 -3.763 -5.741 -6.886 1.00 0.19 O ATOM 1594 CB GLU A 129 -3.752 -8.469 -5.278 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.486 -8.883 -6.537 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.381 -10.090 -6.335 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -4.904 -11.232 -6.494 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -6.571 -9.901 -6.007 1.00 0.71 O ATOM 0 H GLU A 129 -3.459 -5.848 -4.360 1.00 0.15 H new ATOM 0 HA GLU A 129 -1.701 -7.874 -5.601 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.285 -9.348 -4.834 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.474 -8.092 -4.554 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -5.089 -8.046 -6.890 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -3.759 -9.104 -7.318 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.232 -7.057 -7.877 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.483 -6.587 -9.237 1.00 0.21 C ATOM 1607 C LYS A 130 -1.745 -7.502 -10.204 1.00 0.29 C ATOM 1608 O LYS A 130 -0.746 -8.102 -9.824 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.136 -5.084 -9.448 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.672 -4.663 -9.276 1.00 0.19 C ATOM 1611 CD LYS A 130 0.179 -4.999 -10.477 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.155 -4.078 -11.628 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.673 -4.344 -12.837 1.00 0.39 N ATOM 0 H LYS A 130 -1.460 -7.720 -7.807 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.554 -6.639 -9.432 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.450 -4.805 -10.454 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.738 -4.499 -8.752 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.627 -3.589 -9.093 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.259 -5.154 -8.395 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.234 -4.905 -10.221 1.00 0.25 H new ATOM 0 HD3 LYS A 130 0.013 -6.035 -10.771 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.209 -4.190 -11.883 1.00 0.25 H new ATOM 0 HE3 LYS A 130 -0.011 -3.044 -11.314 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 0.674 -3.503 -13.449 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 1.648 -4.563 -12.549 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 0.276 -5.152 -13.359 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.279 -7.637 -11.418 1.00 0.38 N ATOM 1628 CA ASP A 131 -1.787 -8.594 -12.434 1.00 0.49 C ATOM 1629 C ASP A 131 -2.410 -9.963 -12.232 1.00 0.47 C ATOM 1630 O ASP A 131 -2.121 -10.895 -12.979 1.00 0.52 O ATOM 1631 CB ASP A 131 -0.254 -8.754 -12.463 1.00 0.55 C ATOM 1632 CG ASP A 131 0.488 -7.490 -12.828 1.00 0.76 C ATOM 1633 OD1 ASP A 131 0.137 -6.869 -13.853 1.00 1.03 O ATOM 1634 OD2 ASP A 131 1.424 -7.103 -12.099 1.00 1.13 O ATOM 0 H ASP A 131 -3.074 -7.083 -11.736 1.00 0.38 H new ATOM 0 HA ASP A 131 -2.087 -8.165 -13.390 1.00 0.49 H new ATOM 0 HB2 ASP A 131 0.084 -9.092 -11.484 1.00 0.55 H new ATOM 0 HB3 ASP A 131 0.006 -9.535 -13.177 1.00 0.55 H new ATOM 1639 N GLY A 132 -3.264 -10.085 -11.227 1.00 0.48 N ATOM 1640 CA GLY A 132 -3.915 -11.355 -10.962 1.00 0.51 C ATOM 1641 C GLY A 132 -3.263 -12.132 -9.832 1.00 0.45 C ATOM 1642 O GLY A 132 -3.427 -13.350 -9.729 1.00 0.52 O ATOM 0 H GLY A 132 -3.519 -9.330 -10.590 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -4.962 -11.176 -10.716 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -3.900 -11.961 -11.868 1.00 0.51 H new ATOM 1646 N GLU A 133 -2.514 -11.432 -8.990 1.00 0.47 N ATOM 1647 CA GLU A 133 -1.894 -12.043 -7.823 1.00 0.45 C ATOM 1648 C GLU A 133 -1.473 -10.969 -6.842 1.00 0.33 C ATOM 1649 O GLU A 133 -1.214 -9.824 -7.224 1.00 0.30 O ATOM 1650 CB GLU A 133 -0.671 -12.886 -8.193 1.00 0.54 C ATOM 1651 CG GLU A 133 0.577 -12.066 -8.446 1.00 0.56 C ATOM 1652 CD GLU A 133 1.745 -12.898 -8.939 1.00 0.76 C ATOM 1653 OE1 GLU A 133 1.827 -13.149 -10.158 1.00 1.31 O ATOM 1654 OE2 GLU A 133 2.592 -13.297 -8.107 1.00 1.24 O ATOM 0 H GLU A 133 -2.321 -10.436 -9.095 1.00 0.47 H new ATOM 0 HA GLU A 133 -2.636 -12.702 -7.372 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -0.473 -13.595 -7.390 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -0.899 -13.470 -9.085 1.00 0.54 H new ATOM 0 HG2 GLU A 133 0.354 -11.293 -9.181 1.00 0.56 H new ATOM 0 HG3 GLU A 133 0.864 -11.558 -7.525 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.443 -11.333 -5.581 1.00 0.32 N ATOM 1662 CA VAL A 134 -0.936 -10.445 -4.552 1.00 0.24 C ATOM 1663 C VAL A 134 0.583 -10.488 -4.567 1.00 0.22 C ATOM 1664 O VAL A 134 1.190 -11.558 -4.622 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.463 -10.802 -3.141 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.186 -12.248 -2.831 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -0.865 -9.894 -2.078 1.00 0.21 C ATOM 0 H VAL A 134 -1.764 -12.239 -5.239 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.293 -9.439 -4.774 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.542 -10.645 -3.133 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.562 -12.485 -1.836 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.684 -12.880 -3.567 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.112 -12.428 -2.865 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.257 -10.172 -1.100 1.00 0.21 H new ATOM 0 HG22 VAL A 134 0.220 -9.999 -2.078 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.129 -8.859 -2.293 1.00 0.21 H new ATOM 1677 N LYS A 135 1.195 -9.325 -4.562 1.00 0.19 N ATOM 1678 CA LYS A 135 2.641 -9.238 -4.589 1.00 0.21 C ATOM 1679 C LYS A 135 3.147 -8.327 -3.494 1.00 0.17 C ATOM 1680 O LYS A 135 4.352 -8.219 -3.270 1.00 0.18 O ATOM 1681 CB LYS A 135 3.132 -8.747 -5.950 1.00 0.29 C ATOM 1682 CG LYS A 135 2.302 -7.624 -6.537 1.00 0.34 C ATOM 1683 CD LYS A 135 1.289 -8.152 -7.530 1.00 0.29 C ATOM 1684 CE LYS A 135 1.975 -8.686 -8.781 1.00 0.52 C ATOM 1685 NZ LYS A 135 2.572 -7.600 -9.610 1.00 1.03 N ATOM 0 H LYS A 135 0.715 -8.425 -4.539 1.00 0.19 H new ATOM 0 HA LYS A 135 3.037 -10.239 -4.418 1.00 0.21 H new ATOM 0 HB2 LYS A 135 4.164 -8.409 -5.852 1.00 0.29 H new ATOM 0 HB3 LYS A 135 3.136 -9.585 -6.647 1.00 0.29 H new ATOM 0 HG2 LYS A 135 1.787 -7.092 -5.737 1.00 0.34 H new ATOM 0 HG3 LYS A 135 2.956 -6.904 -7.029 1.00 0.34 H new ATOM 0 HD2 LYS A 135 0.701 -8.945 -7.068 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.595 -7.358 -7.803 1.00 0.29 H new ATOM 0 HE2 LYS A 135 2.756 -9.389 -8.492 1.00 0.52 H new ATOM 0 HE3 LYS A 135 1.252 -9.241 -9.380 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 2.140 -7.608 -10.556 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 2.396 -6.681 -9.157 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 3.597 -7.753 -9.696 1.00 1.03 H new ATOM 1699 N LEU A 136 2.222 -7.688 -2.801 1.00 0.14 N ATOM 1700 CA LEU A 136 2.568 -6.769 -1.744 1.00 0.14 C ATOM 1701 C LEU A 136 1.495 -6.817 -0.668 1.00 0.14 C ATOM 1702 O LEU A 136 0.412 -7.345 -0.903 1.00 0.14 O ATOM 1703 CB LEU A 136 2.666 -5.365 -2.320 1.00 0.14 C ATOM 1704 CG LEU A 136 3.745 -4.476 -1.719 1.00 0.13 C ATOM 1705 CD1 LEU A 136 5.130 -5.095 -1.886 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.684 -3.112 -2.374 1.00 0.14 C ATOM 0 H LEU A 136 1.219 -7.793 -2.957 1.00 0.14 H new ATOM 0 HA LEU A 136 3.526 -7.046 -1.305 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.843 -5.444 -3.393 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.702 -4.872 -2.192 1.00 0.14 H new ATOM 0 HG LEU A 136 3.564 -4.374 -0.649 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.879 -4.436 -1.446 1.00 0.16 H new ATOM 0 HD12 LEU A 136 5.159 -6.062 -1.385 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.343 -5.230 -2.946 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.454 -2.469 -1.948 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.850 -3.216 -3.446 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.704 -2.668 -2.199 1.00 0.14 H new ATOM 1718 N LYS A 137 1.790 -6.307 0.512 1.00 0.17 N ATOM 1719 CA LYS A 137 0.785 -6.205 1.557 1.00 0.20 C ATOM 1720 C LYS A 137 0.993 -4.973 2.397 1.00 0.18 C ATOM 1721 O LYS A 137 2.063 -4.372 2.387 1.00 0.22 O ATOM 1722 CB LYS A 137 0.822 -7.379 2.519 1.00 0.31 C ATOM 1723 CG LYS A 137 1.064 -8.735 1.902 1.00 0.35 C ATOM 1724 CD LYS A 137 0.521 -9.812 2.807 1.00 0.28 C ATOM 1725 CE LYS A 137 1.034 -9.639 4.225 1.00 0.31 C ATOM 1726 NZ LYS A 137 0.112 -10.224 5.235 1.00 0.76 N ATOM 0 H LYS A 137 2.712 -5.958 0.772 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.168 -6.177 1.029 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.602 -7.194 3.257 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.125 -7.411 3.058 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.583 -8.791 0.925 1.00 0.35 H new ATOM 0 HG3 LYS A 137 2.131 -8.886 1.741 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.569 -9.780 2.804 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.812 -10.792 2.428 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.013 -10.110 4.315 1.00 0.31 H new ATOM 0 HE3 LYS A 137 1.170 -8.578 4.433 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 0.505 -10.081 6.187 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 -0.815 -9.758 5.170 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 0.001 -11.242 5.055 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.049 -4.615 3.116 1.00 0.18 N ATOM 1741 CA LEU A 138 0.068 -3.705 4.227 1.00 0.20 C ATOM 1742 C LEU A 138 0.009 -4.531 5.497 1.00 0.21 C ATOM 1743 O LEU A 138 -0.942 -5.284 5.697 1.00 0.22 O ATOM 1744 CB LEU A 138 -1.041 -2.641 4.221 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.103 -1.716 2.989 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.286 -1.283 2.532 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.858 -2.376 1.850 1.00 0.17 C ATOM 0 H LEU A 138 -0.998 -4.948 2.945 1.00 0.18 H new ATOM 0 HA LEU A 138 1.011 -3.163 4.157 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -2.001 -3.149 4.314 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.922 -2.019 5.108 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.645 -0.819 3.289 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.196 -0.633 1.662 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.783 -0.744 3.339 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.873 -2.163 2.268 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.887 -1.702 0.994 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.355 -3.301 1.567 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.876 -2.600 2.170 1.00 0.17 H new ATOM 1759 N ILE A 139 1.052 -4.409 6.318 1.00 0.27 N ATOM 1760 CA ILE A 139 1.212 -5.148 7.567 1.00 0.30 C ATOM 1761 C ILE A 139 1.847 -6.526 7.327 1.00 0.37 C ATOM 1762 O ILE A 139 1.677 -7.115 6.261 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.101 -5.321 8.349 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.893 -4.021 8.422 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.214 -5.787 9.740 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.299 -4.226 8.895 1.00 0.41 C ATOM 0 H ILE A 139 1.829 -3.776 6.126 1.00 0.27 H new ATOM 0 HA ILE A 139 1.878 -4.538 8.177 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.712 -6.056 7.825 1.00 0.27 H new ATOM 0 HG12 ILE A 139 -0.386 -3.329 9.094 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.910 -3.555 7.437 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.713 -5.912 10.300 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.741 -6.740 9.694 1.00 0.35 H new ATOM 0 HG23 ILE A 139 0.842 -5.048 10.238 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.816 -3.267 8.927 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.819 -4.895 8.210 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.287 -4.665 9.892 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.192 -7.026 2.926 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.515 -8.146 2.295 1.00 0.33 C ATOM 1849 C GLU B 554 -13.288 -8.546 3.125 1.00 0.35 C ATOM 1850 O GLU B 554 -13.025 -7.925 4.156 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.141 -7.726 0.874 1.00 0.32 C ATOM 1852 CG GLU B 554 -13.673 -8.848 -0.021 1.00 0.29 C ATOM 1853 CD GLU B 554 -14.511 -10.100 0.104 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -15.609 -10.131 -0.485 1.00 0.65 O ATOM 1855 OE2 GLU B 554 -14.085 -11.050 0.791 1.00 0.63 O ATOM 0 HA GLU B 554 -15.161 -9.023 2.244 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -15.006 -7.250 0.412 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.355 -6.973 0.929 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -13.691 -8.509 -1.057 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -12.637 -9.087 0.219 1.00 0.29 H new ATOM 1862 N THR B 555 -12.567 -9.582 2.682 1.00 0.33 N ATOM 1863 CA THR B 555 -11.349 -10.056 3.344 1.00 0.35 C ATOM 1864 C THR B 555 -10.458 -8.884 3.732 1.00 0.34 C ATOM 1865 O THR B 555 -9.911 -8.820 4.832 1.00 0.45 O ATOM 1866 CB THR B 555 -10.578 -11.028 2.415 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.299 -11.340 2.963 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.398 -10.448 1.018 1.00 0.30 C ATOM 0 H THR B 555 -12.814 -10.117 1.850 1.00 0.33 H new ATOM 0 HA THR B 555 -11.635 -10.587 4.252 1.00 0.35 H new ATOM 0 HB THR B 555 -11.174 -11.937 2.338 1.00 0.36 H new ATOM 0 HG1 THR B 555 -8.787 -11.871 2.317 1.00 0.45 H new ATOM 0 HG21 THR B 555 -9.853 -11.159 0.396 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.375 -10.254 0.576 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.837 -9.516 1.081 1.00 0.30 H new ATOM 1876 N THR B 556 -10.360 -7.948 2.820 1.00 0.26 N ATOM 1877 CA THR B 556 -9.694 -6.700 3.062 1.00 0.23 C ATOM 1878 C THR B 556 -10.572 -5.592 2.533 1.00 0.21 C ATOM 1879 O THR B 556 -10.932 -4.661 3.249 1.00 0.22 O ATOM 1880 CB THR B 556 -8.349 -6.635 2.333 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.473 -7.669 2.790 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.709 -5.281 2.536 1.00 0.20 C ATOM 0 H THR B 556 -10.746 -8.036 1.880 1.00 0.26 H new ATOM 0 HA THR B 556 -9.514 -6.600 4.132 1.00 0.23 H new ATOM 0 HB THR B 556 -8.529 -6.784 1.268 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.015 -7.374 3.604 1.00 0.24 H new ATOM 0 HG21 THR B 556 -6.753 -5.248 2.013 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.366 -4.505 2.142 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.546 -5.112 3.600 1.00 0.20 H new ATOM 1890 N LEU B 557 -10.936 -5.757 1.265 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.752 -4.807 0.540 1.00 0.19 C ATOM 1892 C LEU B 557 -10.973 -3.531 0.282 1.00 0.17 C ATOM 1893 O LEU B 557 -9.756 -3.576 0.171 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.049 -4.507 1.284 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.281 -4.453 0.402 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.042 -3.183 0.707 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -13.897 -4.556 -1.075 1.00 0.20 C ATOM 0 H LEU B 557 -10.665 -6.569 0.710 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.018 -5.253 -0.418 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.199 -5.268 2.049 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -12.945 -3.553 1.800 1.00 0.21 H new ATOM 0 HG LEU B 557 -14.928 -5.305 0.612 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -15.931 -3.132 0.079 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.338 -3.179 1.756 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.406 -2.321 0.507 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.797 -4.515 -1.689 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.240 -3.727 -1.339 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.380 -5.499 -1.252 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.695 -2.411 0.203 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.122 -1.093 -0.080 1.00 0.18 C ATOM 1911 C LEU B 558 -11.078 -0.866 -1.579 1.00 0.19 C ATOM 1912 O LEU B 558 -10.030 -0.606 -2.169 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.734 -0.900 0.562 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.710 -0.692 2.085 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.648 -1.644 2.791 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.304 -0.880 2.620 1.00 0.16 C ATOM 0 H LEU B 558 -12.706 -2.394 0.335 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.769 -0.342 0.375 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.124 -1.772 0.326 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.256 -0.040 0.092 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.044 0.327 2.281 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.604 -1.468 3.866 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.666 -1.481 2.438 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.351 -2.671 2.579 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.302 -0.730 3.700 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -7.961 -1.889 2.394 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.637 -0.156 2.152 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.254 -0.970 -2.175 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.426 -0.781 -3.608 1.00 0.21 C ATOM 1930 C GLU B 559 -13.119 0.541 -3.876 1.00 0.24 C ATOM 1931 O GLU B 559 -13.326 0.945 -5.021 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.227 -1.932 -4.200 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.431 -3.206 -4.331 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.249 -4.331 -4.914 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.284 -4.690 -4.320 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.856 -4.871 -5.966 1.00 0.38 O ATOM 0 H GLU B 559 -13.118 -1.188 -1.679 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.445 -0.765 -4.083 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.099 -2.119 -3.573 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.598 -1.640 -5.183 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.561 -3.026 -4.963 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -12.057 -3.501 -3.351 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.477 1.190 -2.789 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.043 2.527 -2.812 1.00 0.31 C ATOM 1945 C ASP B 560 -13.446 3.296 -1.664 1.00 0.25 C ATOM 1946 O ASP B 560 -12.981 2.683 -0.708 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.565 2.523 -2.650 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.294 1.839 -3.781 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.528 2.488 -4.821 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -16.667 0.659 -3.627 1.00 0.95 O ATOM 0 H ASP B 560 -13.383 0.801 -1.851 1.00 0.25 H new ATOM 0 HA ASP B 560 -13.816 2.978 -3.778 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.820 2.028 -1.713 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -15.916 3.552 -2.573 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.459 4.609 -1.730 1.00 0.26 N ATOM 1956 CA GLU B 561 -12.923 5.406 -0.644 1.00 0.26 C ATOM 1957 C GLU B 561 -13.722 5.139 0.626 1.00 0.26 C ATOM 1958 O GLU B 561 -13.159 4.868 1.685 1.00 0.29 O ATOM 1959 CB GLU B 561 -12.978 6.887 -0.989 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.332 7.764 0.062 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.706 9.218 -0.101 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -12.187 9.872 -1.022 1.00 0.69 O ATOM 1963 OE2 GLU B 561 -13.547 9.705 0.684 1.00 0.68 O ATOM 0 H GLU B 561 -13.830 5.145 -2.514 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.881 5.128 -0.484 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.481 7.050 -1.946 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -14.018 7.187 -1.115 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.632 7.422 1.053 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.249 7.660 0.004 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.041 5.178 0.484 1.00 0.30 N ATOM 1971 CA LYS B 562 -15.969 4.968 1.589 1.00 0.39 C ATOM 1972 C LYS B 562 -15.625 3.712 2.385 1.00 0.34 C ATOM 1973 O LYS B 562 -15.551 3.750 3.607 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.391 4.841 1.037 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.475 4.782 2.105 1.00 0.74 C ATOM 1976 CD LYS B 562 -18.483 6.034 2.964 1.00 1.73 C ATOM 1977 CE LYS B 562 -19.572 5.975 4.019 1.00 2.39 C ATOM 1978 NZ LYS B 562 -19.513 7.140 4.938 1.00 3.03 N ATOM 0 H LYS B 562 -15.501 5.358 -0.409 1.00 0.30 H new ATOM 0 HA LYS B 562 -15.893 5.824 2.260 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.590 5.688 0.380 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.451 3.941 0.425 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -19.448 4.660 1.630 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -18.317 3.908 2.737 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -17.513 6.152 3.447 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -18.633 6.909 2.332 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -20.547 5.944 3.533 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -19.472 5.054 4.593 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -20.273 7.064 5.644 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -18.592 7.155 5.420 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -19.633 8.018 4.394 1.00 3.03 H new ATOM 1992 N SER B 563 -15.369 2.618 1.683 1.00 0.27 N ATOM 1993 CA SER B 563 -15.089 1.343 2.328 1.00 0.24 C ATOM 1994 C SER B 563 -13.615 1.217 2.680 1.00 0.21 C ATOM 1995 O SER B 563 -13.230 0.407 3.519 1.00 0.20 O ATOM 1996 CB SER B 563 -15.528 0.194 1.417 1.00 0.27 C ATOM 1997 OG SER B 563 -15.006 0.352 0.106 1.00 0.91 O ATOM 0 H SER B 563 -15.349 2.587 0.664 1.00 0.27 H new ATOM 0 HA SER B 563 -15.654 1.294 3.259 1.00 0.24 H new ATOM 0 HB2 SER B 563 -15.190 -0.754 1.834 1.00 0.27 H new ATOM 0 HB3 SER B 563 -16.616 0.154 1.376 1.00 0.27 H new ATOM 0 HG SER B 563 -15.300 -0.396 -0.455 1.00 0.91 H new ATOM 2003 N LEU B 564 -12.801 2.035 2.040 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.369 2.017 2.244 1.00 0.19 C ATOM 2005 C LEU B 564 -11.073 2.669 3.576 1.00 0.21 C ATOM 2006 O LEU B 564 -10.389 2.115 4.433 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.679 2.798 1.131 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.228 2.408 0.826 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.655 3.308 -0.234 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.335 2.479 2.040 1.00 0.18 C ATOM 0 H LEU B 564 -13.116 2.730 1.364 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.002 0.991 2.233 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.264 2.682 0.218 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.701 3.856 1.391 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.258 1.374 0.483 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.624 3.018 -0.439 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.246 3.218 -1.146 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.679 4.341 0.114 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.321 2.192 1.763 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.331 3.497 2.429 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.708 1.799 2.806 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.646 3.846 3.754 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.422 4.624 4.949 1.00 0.26 C ATOM 2024 C VAL B 565 -12.186 4.038 6.114 1.00 0.28 C ATOM 2025 O VAL B 565 -11.703 4.064 7.236 1.00 0.32 O ATOM 2026 CB VAL B 565 -11.805 6.099 4.729 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.331 6.514 3.359 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.304 6.337 4.870 1.00 0.30 C ATOM 0 H VAL B 565 -12.273 4.282 3.078 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.358 4.587 5.183 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.324 6.702 5.499 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.593 7.557 3.184 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.249 6.396 3.297 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.808 5.888 2.604 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.522 7.392 4.706 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -13.839 5.737 4.133 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.625 6.052 5.872 1.00 0.30 H new ATOM 2038 N SER B 566 -13.355 3.468 5.836 1.00 0.28 N ATOM 2039 CA SER B 566 -14.133 2.780 6.856 1.00 0.30 C ATOM 2040 C SER B 566 -13.337 1.618 7.427 1.00 0.30 C ATOM 2041 O SER B 566 -13.576 1.160 8.543 1.00 0.35 O ATOM 2042 CB SER B 566 -15.440 2.275 6.261 1.00 0.31 C ATOM 2043 OG SER B 566 -16.338 3.348 6.032 1.00 0.75 O ATOM 0 H SER B 566 -13.783 3.470 4.910 1.00 0.28 H new ATOM 0 HA SER B 566 -14.357 3.481 7.660 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.241 1.755 5.324 1.00 0.31 H new ATOM 0 HB3 SER B 566 -15.896 1.551 6.936 1.00 0.31 H new ATOM 0 HG SER B 566 -16.228 3.677 5.115 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.372 1.172 6.652 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.531 0.061 7.037 1.00 0.25 C ATOM 2051 C TYR B 567 -10.231 0.566 7.648 1.00 0.26 C ATOM 2052 O TYR B 567 -9.623 -0.102 8.472 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.256 -0.785 5.808 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.422 -2.011 6.060 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -11.006 -3.183 6.514 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.050 -1.987 5.867 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.240 -4.303 6.766 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.277 -3.101 6.116 1.00 0.25 C ATOM 2059 CZ TYR B 567 -8.890 -4.283 6.481 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.111 -5.371 6.810 1.00 0.29 O ATOM 0 H TYR B 567 -12.149 1.569 5.739 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.036 -0.544 7.790 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.208 -1.093 5.376 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -10.753 -0.167 5.064 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.074 -3.220 6.673 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.579 -1.081 5.516 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.694 -5.189 7.184 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.202 -3.050 6.026 1.00 0.25 H new ATOM 0 HH TYR B 567 -8.654 -6.186 6.773 1.00 0.29 H new ATOM 2070 N LEU B 568 -9.808 1.745 7.213 1.00 0.26 N ATOM 2071 CA LEU B 568 -8.583 2.365 7.701 1.00 0.29 C ATOM 2072 C LEU B 568 -8.777 3.115 9.005 1.00 0.35 C ATOM 2073 O LEU B 568 -7.858 3.212 9.816 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.080 3.342 6.670 1.00 0.28 C ATOM 2075 CG LEU B 568 -6.989 2.835 5.758 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.261 1.410 5.301 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -6.925 3.765 4.587 1.00 0.26 C ATOM 0 H LEU B 568 -10.303 2.298 6.513 1.00 0.26 H new ATOM 0 HA LEU B 568 -7.870 1.560 7.880 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -8.923 3.658 6.055 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -7.712 4.228 7.187 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.037 2.812 6.289 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.455 1.078 4.646 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.317 0.754 6.170 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.206 1.376 4.759 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.146 3.433 3.901 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -7.885 3.768 4.072 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -6.697 4.773 4.935 1.00 0.26 H new ATOM 2089 N ASN B 569 -9.948 3.695 9.186 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.207 4.458 10.399 1.00 0.46 C ATOM 2091 C ASN B 569 -10.709 3.544 11.508 1.00 0.50 C ATOM 2092 O ASN B 569 -10.362 3.745 12.670 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.190 5.618 10.150 1.00 0.52 C ATOM 2094 CG ASN B 569 -12.661 5.224 10.193 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -13.453 5.850 10.891 1.00 0.68 O ATOM 2096 ND2 ASN B 569 -13.051 4.238 9.408 1.00 0.44 N ATOM 0 H ASN B 569 -10.724 3.657 8.525 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.263 4.902 10.717 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -11.013 6.393 10.896 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -10.974 6.057 9.176 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -14.036 3.976 9.369 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -12.367 3.737 8.840 1.00 0.44 H new ATOM 2103 N TYR B 570 -11.482 2.526 11.104 1.00 0.50 N ATOM 2104 CA TYR B 570 -12.116 1.544 11.996 1.00 0.59 C ATOM 2105 C TYR B 570 -12.292 2.046 13.431 1.00 0.90 C ATOM 2106 O TYR B 570 -11.498 1.663 14.310 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.380 0.188 11.953 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.877 0.236 12.156 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -9.026 0.634 11.134 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.308 -0.142 13.366 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.661 0.661 11.310 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -7.940 -0.121 13.549 1.00 0.87 C ATOM 2113 CZ TYR B 570 -7.120 0.284 12.519 1.00 0.79 C ATOM 2114 OH TYR B 570 -5.754 0.310 12.697 1.00 1.04 O ATOM 2115 OXT TYR B 570 -13.242 2.824 13.671 1.00 1.66 O ATOM 0 H TYR B 570 -11.690 2.358 10.120 1.00 0.50 H new ATOM 0 HA TYR B 570 -13.125 1.395 11.610 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.809 -0.459 12.718 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.581 -0.281 10.990 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.443 0.928 10.182 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -9.947 -0.458 14.177 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -7.017 0.977 10.503 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.515 -0.421 14.495 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.537 0.016 13.606 1.00 1.04 H new