USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 983 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 81 THR OG1 : rot -44:sc= 1.03! USER MOD Set 1.2: A 83 THR OG1 : rot -106:sc= 0.137 USER MOD Set 2.1: A 37 LYS NZ :NH3+ -141:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -123:sc= 0 (180deg=0) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.564 (180deg=0.00841) USER MOD Single : A 5 THR OG1 : rot -86:sc= -12.1! USER MOD Single : A 7 LYS NZ :NH3+ -124:sc= -0.792 (180deg=-2.72!) USER MOD Single : A 11 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.3!) USER MOD Single : A 13 ASN : amide:sc= -15.7! C(o=-16!,f=-22!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -155:sc= -2.87! (180deg=-4.03!) USER MOD Single : A 21 MET CE :methyl 151:sc= -10.4! (180deg=-13!) USER MOD Single : A 24 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 0.0132 (180deg=-0.435) USER MOD Single : A 39 THR OG1 : rot 79:sc= -5.32 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.597 K(o=-0.6,f=-2.2!) USER MOD Single : A 45 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ -109:sc= 0.98 (180deg=-1.87!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 96:sc= 0.232! USER MOD Single : A 54 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.8!) USER MOD Single : A 57 ASN : amide:sc= -0.429 K(o=-0.43,f=-3.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0.114 USER MOD Single : A 71 SER OG : rot -27:sc= 0.458! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -171:sc= -0.191 (180deg=-0.457) USER MOD Single : A 87 ASN : amide:sc= 0.958 K(o=0.96,f=-3.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.934 F(o=-3!,f=-0.93) USER MOD Single : A 100 LYS NZ :NH3+ 156:sc=-0.00711 (180deg=-0.152) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 115 GLN : amide:sc= -4.16! C(o=-4.2!,f=-10!) USER MOD Single : A 116 THR OG1 : rot -30:sc= 0.852 USER MOD Single : A 117 TYR OH : rot 180:sc= 0.09 USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.00202 USER MOD Single : A 119 TYR OH : rot 180:sc= -0.936 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.471 8.921 2.920 1.00 0.00 N ATOM 2 CA ALA A 1 3.461 9.965 3.007 1.00 0.00 C ATOM 3 C ALA A 1 4.802 9.224 3.216 1.00 0.00 C ATOM 4 O ALA A 1 4.676 8.024 3.189 1.00 0.00 O ATOM 5 CB ALA A 1 2.986 10.755 4.210 1.00 0.00 C ATOM 0 H1 ALA A 1 2.005 8.961 1.991 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.931 7.996 3.038 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.761 9.052 3.669 1.00 0.00 H new ATOM 0 HA ALA A 1 3.591 10.633 2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.663 11.591 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.982 11.135 4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.971 10.108 5.087 1.00 0.00 H new ATOM 13 N PHE A 2 5.934 9.927 3.397 1.00 0.00 N ATOM 14 CA PHE A 2 7.262 9.245 3.610 1.00 0.00 C ATOM 15 C PHE A 2 7.961 8.791 2.319 1.00 0.00 C ATOM 16 O PHE A 2 8.653 7.792 2.202 1.00 0.00 O ATOM 17 CB PHE A 2 7.108 8.016 4.528 1.00 0.00 C ATOM 18 CG PHE A 2 8.162 7.844 5.585 1.00 0.00 C ATOM 19 CD1 PHE A 2 9.188 8.717 5.844 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.098 6.694 6.387 1.00 0.00 C ATOM 21 CE1 PHE A 2 10.079 8.424 6.855 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.979 6.398 7.396 1.00 0.00 C ATOM 23 CZ PHE A 2 10.012 7.284 7.654 1.00 0.00 C ATOM 0 H PHE A 2 5.977 10.946 3.403 1.00 0.00 H new ATOM 0 HA PHE A 2 7.889 10.009 4.070 1.00 0.00 H new ATOM 0 HB2 PHE A 2 6.136 8.074 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.098 7.122 3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 2 9.297 9.622 5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.299 5.993 6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.881 9.123 7.040 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.870 5.494 7.977 1.00 0.00 H new ATOM 0 HZ PHE A 2 10.732 7.100 8.438 1.00 0.00 H new ATOM 33 N ASP A 3 7.793 9.561 1.231 1.00 0.00 N ATOM 34 CA ASP A 3 8.379 9.296 -0.103 1.00 0.00 C ATOM 35 C ASP A 3 9.176 10.451 -0.579 1.00 0.00 C ATOM 36 O ASP A 3 9.087 11.519 0.055 1.00 0.00 O ATOM 37 CB ASP A 3 7.292 8.957 -1.135 1.00 0.00 C ATOM 38 CG ASP A 3 6.280 10.069 -1.097 1.00 0.00 C ATOM 39 OD1 ASP A 3 6.287 11.024 -0.315 1.00 0.00 O ATOM 40 OD2 ASP A 3 5.362 9.920 -1.996 1.00 0.00 O ATOM 0 H ASP A 3 7.230 10.411 1.251 1.00 0.00 H new ATOM 0 HA ASP A 3 9.039 8.435 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.724 8.863 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.823 8.002 -0.900 1.00 0.00 H new ATOM 45 N GLY A 4 9.957 10.297 -1.658 1.00 0.00 N ATOM 46 CA GLY A 4 10.683 11.483 -2.011 1.00 0.00 C ATOM 47 C GLY A 4 11.946 11.821 -1.187 1.00 0.00 C ATOM 48 O GLY A 4 12.662 10.888 -0.923 1.00 0.00 O ATOM 0 H GLY A 4 10.085 9.463 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.977 11.398 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.999 12.329 -1.940 1.00 0.00 H new ATOM 52 N THR A 5 12.007 13.087 -0.917 1.00 0.00 N ATOM 53 CA THR A 5 12.973 13.801 -0.147 1.00 0.00 C ATOM 54 C THR A 5 12.487 14.136 1.232 1.00 0.00 C ATOM 55 O THR A 5 11.307 13.979 1.446 1.00 0.00 O ATOM 56 CB THR A 5 13.428 15.052 -0.948 1.00 0.00 C ATOM 57 OG1 THR A 5 12.251 15.801 -0.930 1.00 0.00 O ATOM 58 CG2 THR A 5 13.718 14.700 -2.419 1.00 0.00 C ATOM 0 H THR A 5 11.292 13.720 -1.276 1.00 0.00 H new ATOM 0 HA THR A 5 13.837 13.157 0.019 1.00 0.00 H new ATOM 0 HB THR A 5 14.325 15.522 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.678 15.527 -1.676 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.034 15.597 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.510 13.952 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.816 14.301 -2.882 1.00 0.00 H new ATOM 66 N TRP A 6 13.474 14.537 1.975 1.00 0.00 N ATOM 67 CA TRP A 6 13.379 14.832 3.367 1.00 0.00 C ATOM 68 C TRP A 6 14.772 15.249 3.837 1.00 0.00 C ATOM 69 O TRP A 6 15.669 14.878 3.112 1.00 0.00 O ATOM 70 CB TRP A 6 13.270 13.380 3.937 1.00 0.00 C ATOM 71 CG TRP A 6 11.866 12.913 3.864 1.00 0.00 C ATOM 72 CD1 TRP A 6 11.497 11.656 3.495 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.606 13.533 4.064 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.156 11.443 3.443 1.00 0.00 N ATOM 75 CE2 TRP A 6 9.568 12.605 3.787 1.00 0.00 C ATOM 76 CE3 TRP A 6 10.206 14.800 4.443 1.00 0.00 C ATOM 77 CZ2 TRP A 6 8.225 12.892 3.861 1.00 0.00 C ATOM 78 CZ3 TRP A 6 8.862 15.082 4.520 1.00 0.00 C ATOM 79 CH2 TRP A 6 7.871 14.141 4.231 1.00 0.00 C ATOM 0 H TRP A 6 14.414 14.673 1.604 1.00 0.00 H new ATOM 0 HA TRP A 6 12.611 15.561 3.624 1.00 0.00 H new ATOM 0 HB2 TRP A 6 13.916 12.708 3.371 1.00 0.00 H new ATOM 0 HB3 TRP A 6 13.616 13.359 4.970 1.00 0.00 H new ATOM 0 HD1 TRP A 6 12.216 10.885 3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.686 10.573 3.192 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.939 15.559 4.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 7.480 12.145 3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.559 16.075 4.817 1.00 0.00 H new ATOM 0 HH2 TRP A 6 6.828 14.411 4.303 1.00 0.00 H new ATOM 90 N LYS A 7 14.839 15.886 4.974 1.00 0.00 N ATOM 91 CA LYS A 7 16.158 16.399 5.396 1.00 0.00 C ATOM 92 C LYS A 7 16.235 16.524 6.886 1.00 0.00 C ATOM 93 O LYS A 7 15.739 15.662 7.597 1.00 0.00 O ATOM 94 CB LYS A 7 16.326 17.725 4.624 1.00 0.00 C ATOM 95 CG LYS A 7 15.780 17.727 3.221 1.00 0.00 C ATOM 96 CD LYS A 7 16.192 18.771 2.197 1.00 0.00 C ATOM 97 CE LYS A 7 17.732 18.956 2.189 1.00 0.00 C ATOM 98 NZ LYS A 7 18.345 18.882 0.866 1.00 0.00 N ATOM 0 H LYS A 7 14.060 16.066 5.607 1.00 0.00 H new ATOM 0 HA LYS A 7 16.984 15.728 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.836 18.519 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.387 17.971 4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.017 16.754 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.695 17.782 3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.852 18.469 1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.708 19.721 2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.971 19.923 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.180 18.193 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.081 18.147 0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.619 18.646 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.773 19.800 0.630 1.00 0.00 H new ATOM 112 N VAL A 8 16.849 17.616 7.292 1.00 0.00 N ATOM 113 CA VAL A 8 16.945 17.901 8.684 1.00 0.00 C ATOM 114 C VAL A 8 17.073 19.427 8.857 1.00 0.00 C ATOM 115 O VAL A 8 18.089 19.916 9.290 1.00 0.00 O ATOM 116 CB VAL A 8 17.937 17.080 9.496 1.00 0.00 C ATOM 117 CG1 VAL A 8 18.095 17.666 10.902 1.00 0.00 C ATOM 118 CG2 VAL A 8 17.572 15.577 9.606 1.00 0.00 C ATOM 0 H VAL A 8 17.280 18.305 6.676 1.00 0.00 H new ATOM 0 HA VAL A 8 16.020 17.553 9.144 1.00 0.00 H new ATOM 0 HB VAL A 8 18.878 17.137 8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.808 17.066 11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.459 18.691 10.830 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.131 17.658 11.410 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.327 15.062 10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.599 15.473 10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.532 15.138 8.609 1.00 0.00 H new ATOM 128 N ASP A 9 15.990 20.065 8.464 1.00 0.00 N ATOM 129 CA ASP A 9 15.887 21.501 8.496 1.00 0.00 C ATOM 130 C ASP A 9 16.357 22.101 9.831 1.00 0.00 C ATOM 131 O ASP A 9 17.125 23.038 9.873 1.00 0.00 O ATOM 132 CB ASP A 9 14.377 21.805 8.431 1.00 0.00 C ATOM 133 CG ASP A 9 13.935 23.147 7.978 1.00 0.00 C ATOM 134 OD1 ASP A 9 14.779 24.095 8.324 1.00 0.00 O ATOM 135 OD2 ASP A 9 12.943 23.401 7.361 1.00 0.00 O ATOM 0 H ASP A 9 15.155 19.596 8.113 1.00 0.00 H new ATOM 0 HA ASP A 9 16.492 21.913 7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.920 21.067 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.965 21.641 9.426 1.00 0.00 H new ATOM 140 N ARG A 10 15.824 21.482 10.854 1.00 0.00 N ATOM 141 CA ARG A 10 16.155 21.915 12.183 1.00 0.00 C ATOM 142 C ARG A 10 16.630 20.700 12.917 1.00 0.00 C ATOM 143 O ARG A 10 16.348 19.576 12.437 1.00 0.00 O ATOM 144 CB ARG A 10 14.943 22.587 12.766 1.00 0.00 C ATOM 145 CG ARG A 10 13.581 22.231 12.161 1.00 0.00 C ATOM 146 CD ARG A 10 12.984 23.318 11.245 1.00 0.00 C ATOM 147 NE ARG A 10 11.617 22.943 10.891 1.00 0.00 N ATOM 148 CZ ARG A 10 10.670 23.834 10.516 1.00 0.00 C ATOM 149 NH1 ARG A 10 10.913 25.138 10.443 1.00 0.00 N ATOM 150 NH2 ARG A 10 9.463 23.402 10.212 1.00 0.00 N ATOM 0 H ARG A 10 15.176 20.697 10.795 1.00 0.00 H new ATOM 0 HA ARG A 10 16.954 22.655 12.235 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.909 22.357 13.831 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.080 23.665 12.677 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.681 21.308 11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.879 22.031 12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.990 24.283 11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.590 23.427 10.345 1.00 0.00 H new ATOM 0 HE ARG A 10 11.363 21.956 10.929 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.839 25.498 10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.174 25.779 10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.251 22.406 10.261 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.741 24.064 9.928 1.00 0.00 H new ATOM 164 N ASN A 11 17.323 20.855 14.010 1.00 0.00 N ATOM 165 CA ASN A 11 17.790 19.665 14.666 1.00 0.00 C ATOM 166 C ASN A 11 17.718 19.724 16.175 1.00 0.00 C ATOM 167 O ASN A 11 18.070 20.782 16.724 1.00 0.00 O ATOM 168 CB ASN A 11 19.241 19.377 14.217 1.00 0.00 C ATOM 169 CG ASN A 11 19.981 20.481 13.479 1.00 0.00 C ATOM 170 OD1 ASN A 11 19.702 21.670 13.580 1.00 0.00 O ATOM 171 ND2 ASN A 11 20.986 20.090 12.695 1.00 0.00 N ATOM 0 H ASN A 11 17.568 21.743 14.448 1.00 0.00 H new ATOM 0 HA ASN A 11 17.120 18.859 14.369 1.00 0.00 H new ATOM 0 HB2 ASN A 11 19.821 19.117 15.102 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.226 18.496 13.576 1.00 0.00 H new ATOM 0 HD21 ASN A 11 21.527 20.782 12.176 1.00 0.00 H new ATOM 0 HD22 ASN A 11 21.214 19.099 12.614 1.00 0.00 H new ATOM 178 N GLU A 12 17.283 18.624 16.708 1.00 0.00 N ATOM 179 CA GLU A 12 17.099 18.374 18.156 1.00 0.00 C ATOM 180 C GLU A 12 17.852 17.108 18.458 1.00 0.00 C ATOM 181 O GLU A 12 17.956 16.337 17.505 1.00 0.00 O ATOM 182 CB GLU A 12 15.591 18.398 18.442 1.00 0.00 C ATOM 183 CG GLU A 12 15.021 17.848 19.741 1.00 0.00 C ATOM 184 CD GLU A 12 15.875 17.824 20.987 1.00 0.00 C ATOM 185 OE1 GLU A 12 16.821 18.556 21.190 1.00 0.00 O ATOM 186 OE2 GLU A 12 15.534 16.957 21.889 1.00 0.00 O ATOM 0 H GLU A 12 17.026 17.817 16.139 1.00 0.00 H new ATOM 0 HA GLU A 12 17.508 19.126 18.831 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.271 19.438 18.370 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.105 17.858 17.629 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.125 18.424 19.972 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.700 16.824 19.547 1.00 0.00 H new ATOM 193 N ASN A 13 18.343 16.960 19.660 1.00 0.00 N ATOM 194 CA ASN A 13 19.191 15.899 20.193 1.00 0.00 C ATOM 195 C ASN A 13 20.515 15.921 19.402 1.00 0.00 C ATOM 196 O ASN A 13 21.557 15.816 20.015 1.00 0.00 O ATOM 197 CB ASN A 13 18.557 14.540 20.352 1.00 0.00 C ATOM 198 CG ASN A 13 18.530 14.178 21.837 1.00 0.00 C ATOM 199 OD1 ASN A 13 19.466 13.525 22.232 1.00 0.00 O ATOM 200 ND2 ASN A 13 17.496 14.676 22.473 1.00 0.00 N ATOM 0 H ASN A 13 18.141 17.654 20.380 1.00 0.00 H new ATOM 0 HA ASN A 13 19.386 16.116 21.243 1.00 0.00 H new ATOM 0 HB2 ASN A 13 17.545 14.546 19.947 1.00 0.00 H new ATOM 0 HB3 ASN A 13 19.120 13.793 19.792 1.00 0.00 H new ATOM 0 HD21 ASN A 13 17.395 14.528 23.477 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.793 15.211 21.963 1.00 0.00 H new ATOM 207 N TYR A 14 20.332 16.032 18.102 1.00 0.00 N ATOM 208 CA TYR A 14 21.397 16.196 17.101 1.00 0.00 C ATOM 209 C TYR A 14 22.795 15.798 17.477 1.00 0.00 C ATOM 210 O TYR A 14 23.119 14.699 17.939 1.00 0.00 O ATOM 211 CB TYR A 14 21.176 17.723 16.867 1.00 0.00 C ATOM 212 CG TYR A 14 21.062 18.339 18.195 1.00 0.00 C ATOM 213 CD1 TYR A 14 22.033 18.155 19.154 1.00 0.00 C ATOM 214 CD2 TYR A 14 19.880 18.908 18.583 1.00 0.00 C ATOM 215 CE1 TYR A 14 21.823 18.433 20.489 1.00 0.00 C ATOM 216 CE2 TYR A 14 19.654 19.195 19.915 1.00 0.00 C ATOM 217 CZ TYR A 14 20.612 18.965 20.880 1.00 0.00 C ATOM 218 OH TYR A 14 20.289 19.240 22.181 1.00 0.00 O ATOM 0 H TYR A 14 19.402 16.011 17.684 1.00 0.00 H new ATOM 0 HA TYR A 14 21.325 15.532 16.240 1.00 0.00 H new ATOM 0 HB2 TYR A 14 22.008 18.154 16.310 1.00 0.00 H new ATOM 0 HB3 TYR A 14 20.275 17.898 16.280 1.00 0.00 H new ATOM 0 HD1 TYR A 14 22.998 17.778 18.849 1.00 0.00 H new ATOM 0 HD2 TYR A 14 19.123 19.133 17.847 1.00 0.00 H new ATOM 0 HE1 TYR A 14 22.596 18.237 21.217 1.00 0.00 H new ATOM 0 HE2 TYR A 14 18.701 19.611 20.209 1.00 0.00 H new ATOM 0 HH TYR A 14 19.383 19.611 22.222 1.00 0.00 H new ATOM 228 N GLU A 15 23.757 16.708 17.358 1.00 0.00 N ATOM 229 CA GLU A 15 25.110 16.503 17.775 1.00 0.00 C ATOM 230 C GLU A 15 25.312 15.959 19.199 1.00 0.00 C ATOM 231 O GLU A 15 26.383 15.432 19.493 1.00 0.00 O ATOM 232 CB GLU A 15 25.912 17.833 17.720 1.00 0.00 C ATOM 233 CG GLU A 15 25.856 18.622 19.053 1.00 0.00 C ATOM 234 CD GLU A 15 26.056 20.084 18.904 1.00 0.00 C ATOM 235 OE1 GLU A 15 27.000 20.635 18.356 1.00 0.00 O ATOM 236 OE2 GLU A 15 25.089 20.782 19.447 1.00 0.00 O ATOM 0 H GLU A 15 23.595 17.631 16.955 1.00 0.00 H new ATOM 0 HA GLU A 15 25.460 15.746 17.073 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.952 17.616 17.475 1.00 0.00 H new ATOM 0 HB3 GLU A 15 25.519 18.456 16.917 1.00 0.00 H new ATOM 0 HG2 GLU A 15 24.890 18.445 19.526 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.618 18.229 19.727 1.00 0.00 H new ATOM 243 N LYS A 16 24.383 16.043 20.138 1.00 0.00 N ATOM 244 CA LYS A 16 24.609 15.505 21.495 1.00 0.00 C ATOM 245 C LYS A 16 24.458 13.993 21.404 1.00 0.00 C ATOM 246 O LYS A 16 25.187 13.183 21.916 1.00 0.00 O ATOM 247 CB LYS A 16 23.845 16.218 22.594 1.00 0.00 C ATOM 248 CG LYS A 16 24.507 15.920 23.950 1.00 0.00 C ATOM 249 CD LYS A 16 25.824 16.638 24.009 1.00 0.00 C ATOM 250 CE LYS A 16 26.150 17.348 25.318 1.00 0.00 C ATOM 251 NZ LYS A 16 27.382 16.904 25.968 1.00 0.00 N ATOM 0 H LYS A 16 23.468 16.473 20.000 1.00 0.00 H new ATOM 0 HA LYS A 16 25.622 15.718 21.835 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.837 17.292 22.409 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.806 15.888 22.603 1.00 0.00 H new ATOM 0 HG2 LYS A 16 23.862 16.246 24.766 1.00 0.00 H new ATOM 0 HG3 LYS A 16 24.656 14.847 24.071 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.616 15.917 23.805 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.848 17.374 23.206 1.00 0.00 H new ATOM 0 HE2 LYS A 16 26.223 18.418 25.126 1.00 0.00 H new ATOM 0 HE3 LYS A 16 25.319 17.204 26.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 27.523 17.440 26.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 27.313 15.890 26.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 28.188 17.066 25.331 1.00 0.00 H new ATOM 265 N PHE A 17 23.432 13.516 20.637 1.00 0.00 N ATOM 266 CA PHE A 17 23.119 12.111 20.359 1.00 0.00 C ATOM 267 C PHE A 17 24.301 11.463 19.598 1.00 0.00 C ATOM 268 O PHE A 17 24.616 10.276 19.559 1.00 0.00 O ATOM 269 CB PHE A 17 21.768 11.968 19.633 1.00 0.00 C ATOM 270 CG PHE A 17 21.732 12.215 18.161 1.00 0.00 C ATOM 271 CD1 PHE A 17 22.529 11.466 17.328 1.00 0.00 C ATOM 272 CD2 PHE A 17 20.909 13.177 17.612 1.00 0.00 C ATOM 273 CE1 PHE A 17 22.477 11.709 15.958 1.00 0.00 C ATOM 274 CE2 PHE A 17 20.857 13.425 16.251 1.00 0.00 C ATOM 275 CZ PHE A 17 21.663 12.675 15.405 1.00 0.00 C ATOM 0 H PHE A 17 22.776 14.149 20.179 1.00 0.00 H new ATOM 0 HA PHE A 17 22.998 11.569 21.297 1.00 0.00 H new ATOM 0 HB2 PHE A 17 21.399 10.958 19.811 1.00 0.00 H new ATOM 0 HB3 PHE A 17 21.062 12.653 20.104 1.00 0.00 H new ATOM 0 HD1 PHE A 17 23.182 10.705 17.728 1.00 0.00 H new ATOM 0 HD2 PHE A 17 20.281 13.759 18.270 1.00 0.00 H new ATOM 0 HE1 PHE A 17 23.099 11.117 15.302 1.00 0.00 H new ATOM 0 HE2 PHE A 17 20.202 14.187 15.855 1.00 0.00 H new ATOM 0 HZ PHE A 17 21.653 12.844 14.338 1.00 0.00 H new ATOM 285 N MET A 18 25.020 12.388 18.948 1.00 0.00 N ATOM 286 CA MET A 18 26.219 12.118 18.179 1.00 0.00 C ATOM 287 C MET A 18 27.369 11.990 19.155 1.00 0.00 C ATOM 288 O MET A 18 28.074 11.024 19.298 1.00 0.00 O ATOM 289 CB MET A 18 26.567 13.275 17.204 1.00 0.00 C ATOM 290 CG MET A 18 25.907 12.981 15.897 1.00 0.00 C ATOM 291 SD MET A 18 26.253 14.177 14.600 1.00 0.00 S ATOM 292 CE MET A 18 26.671 12.948 13.357 1.00 0.00 C ATOM 0 H MET A 18 24.765 13.376 18.950 1.00 0.00 H new ATOM 0 HA MET A 18 26.051 11.213 17.595 1.00 0.00 H new ATOM 0 HB2 MET A 18 26.219 14.228 17.602 1.00 0.00 H new ATOM 0 HB3 MET A 18 27.647 13.357 17.077 1.00 0.00 H new ATOM 0 HG2 MET A 18 26.224 11.995 15.558 1.00 0.00 H new ATOM 0 HG3 MET A 18 24.829 12.933 16.051 1.00 0.00 H new ATOM 0 HE1 MET A 18 27.332 13.393 12.613 1.00 0.00 H new ATOM 0 HE2 MET A 18 27.174 12.106 13.832 1.00 0.00 H new ATOM 0 HE3 MET A 18 25.760 12.598 12.870 1.00 0.00 H new ATOM 302 N GLU A 19 27.556 13.077 19.881 1.00 0.00 N ATOM 303 CA GLU A 19 28.611 13.236 20.852 1.00 0.00 C ATOM 304 C GLU A 19 28.829 12.043 21.789 1.00 0.00 C ATOM 305 O GLU A 19 29.940 11.593 22.019 1.00 0.00 O ATOM 306 CB GLU A 19 28.240 14.356 21.855 1.00 0.00 C ATOM 307 CG GLU A 19 29.434 14.976 22.612 1.00 0.00 C ATOM 308 CD GLU A 19 30.609 15.365 21.758 1.00 0.00 C ATOM 309 OE1 GLU A 19 30.398 15.781 20.544 1.00 0.00 O ATOM 310 OE2 GLU A 19 31.725 15.275 22.235 1.00 0.00 O ATOM 0 H GLU A 19 26.955 13.898 19.805 1.00 0.00 H new ATOM 0 HA GLU A 19 29.489 13.411 20.231 1.00 0.00 H new ATOM 0 HB2 GLU A 19 27.720 15.148 21.316 1.00 0.00 H new ATOM 0 HB3 GLU A 19 27.537 13.952 22.584 1.00 0.00 H new ATOM 0 HG2 GLU A 19 29.085 15.861 23.144 1.00 0.00 H new ATOM 0 HG3 GLU A 19 29.774 14.265 23.365 1.00 0.00 H new ATOM 317 N LYS A 20 27.691 11.611 22.334 1.00 0.00 N ATOM 318 CA LYS A 20 27.742 10.538 23.347 1.00 0.00 C ATOM 319 C LYS A 20 28.261 9.207 22.867 1.00 0.00 C ATOM 320 O LYS A 20 28.702 8.394 23.700 1.00 0.00 O ATOM 321 CB LYS A 20 26.398 10.490 24.091 1.00 0.00 C ATOM 322 CG LYS A 20 25.986 11.809 24.720 1.00 0.00 C ATOM 323 CD LYS A 20 27.077 12.246 25.676 1.00 0.00 C ATOM 324 CE LYS A 20 26.592 12.943 26.896 1.00 0.00 C ATOM 325 NZ LYS A 20 27.714 13.576 27.615 1.00 0.00 N ATOM 0 H LYS A 20 26.760 11.963 22.110 1.00 0.00 H new ATOM 0 HA LYS A 20 28.521 10.797 24.065 1.00 0.00 H new ATOM 0 HB2 LYS A 20 25.621 10.174 23.394 1.00 0.00 H new ATOM 0 HB3 LYS A 20 26.454 9.731 24.871 1.00 0.00 H new ATOM 0 HG2 LYS A 20 25.832 12.565 23.950 1.00 0.00 H new ATOM 0 HG3 LYS A 20 25.040 11.697 25.250 1.00 0.00 H new ATOM 0 HD2 LYS A 20 27.649 11.369 25.979 1.00 0.00 H new ATOM 0 HD3 LYS A 20 27.763 12.906 25.145 1.00 0.00 H new ATOM 0 HE2 LYS A 20 25.857 13.699 26.621 1.00 0.00 H new ATOM 0 HE3 LYS A 20 26.088 12.232 27.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 27.355 14.058 28.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 28.402 12.848 27.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 28.177 14.269 26.994 1.00 0.00 H new ATOM 339 N MET A 21 28.250 8.929 21.545 1.00 0.00 N ATOM 340 CA MET A 21 28.760 7.660 21.065 1.00 0.00 C ATOM 341 C MET A 21 30.270 7.725 20.762 1.00 0.00 C ATOM 342 O MET A 21 30.840 6.741 20.312 1.00 0.00 O ATOM 343 CB MET A 21 28.029 7.091 19.828 1.00 0.00 C ATOM 344 CG MET A 21 27.146 8.118 19.133 1.00 0.00 C ATOM 345 SD MET A 21 26.257 7.587 17.699 1.00 0.00 S ATOM 346 CE MET A 21 26.994 5.996 17.408 1.00 0.00 C ATOM 0 H MET A 21 27.901 9.557 20.822 1.00 0.00 H new ATOM 0 HA MET A 21 28.568 6.977 21.893 1.00 0.00 H new ATOM 0 HB2 MET A 21 28.766 6.715 19.119 1.00 0.00 H new ATOM 0 HB3 MET A 21 27.418 6.242 20.133 1.00 0.00 H new ATOM 0 HG2 MET A 21 26.423 8.488 19.860 1.00 0.00 H new ATOM 0 HG3 MET A 21 27.772 8.963 18.848 1.00 0.00 H new ATOM 0 HE1 MET A 21 26.268 5.341 16.926 1.00 0.00 H new ATOM 0 HE2 MET A 21 27.864 6.111 16.761 1.00 0.00 H new ATOM 0 HE3 MET A 21 27.303 5.559 18.358 1.00 0.00 H new ATOM 356 N GLY A 22 30.878 8.876 21.013 1.00 0.00 N ATOM 357 CA GLY A 22 32.297 9.174 20.809 1.00 0.00 C ATOM 358 C GLY A 22 32.507 10.242 19.733 1.00 0.00 C ATOM 359 O GLY A 22 33.656 10.514 19.400 1.00 0.00 O ATOM 0 H GLY A 22 30.368 9.676 21.386 1.00 0.00 H new ATOM 0 HA2 GLY A 22 32.735 9.513 21.748 1.00 0.00 H new ATOM 0 HA3 GLY A 22 32.822 8.263 20.523 1.00 0.00 H new ATOM 363 N ILE A 23 31.466 10.856 19.178 1.00 0.00 N ATOM 364 CA ILE A 23 31.618 11.880 18.151 1.00 0.00 C ATOM 365 C ILE A 23 32.536 12.959 18.691 1.00 0.00 C ATOM 366 O ILE A 23 32.118 13.661 19.626 1.00 0.00 O ATOM 367 CB ILE A 23 30.277 12.428 17.720 1.00 0.00 C ATOM 368 CG1 ILE A 23 29.604 11.522 16.709 1.00 0.00 C ATOM 369 CG2 ILE A 23 30.388 13.831 17.100 1.00 0.00 C ATOM 370 CD1 ILE A 23 30.037 10.087 16.845 1.00 0.00 C ATOM 0 H ILE A 23 30.497 10.658 19.427 1.00 0.00 H new ATOM 0 HA ILE A 23 32.064 11.450 17.254 1.00 0.00 H new ATOM 0 HB ILE A 23 29.680 12.484 18.630 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.523 11.585 16.832 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.832 11.873 15.703 1.00 0.00 H new ATOM 0 HG21 ILE A 23 29.397 14.179 16.807 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.813 14.519 17.831 1.00 0.00 H new ATOM 0 HG23 ILE A 23 31.032 13.791 16.222 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.526 9.480 16.098 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.114 10.016 16.695 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.785 9.724 17.841 1.00 0.00 H new ATOM 382 N ASN A 24 33.747 13.108 18.147 1.00 0.00 N ATOM 383 CA ASN A 24 34.653 14.125 18.638 1.00 0.00 C ATOM 384 C ASN A 24 34.342 15.543 18.237 1.00 0.00 C ATOM 385 O ASN A 24 33.411 15.767 17.485 1.00 0.00 O ATOM 386 CB ASN A 24 36.158 13.755 18.527 1.00 0.00 C ATOM 387 CG ASN A 24 36.468 12.544 19.380 1.00 0.00 C ATOM 388 OD1 ASN A 24 36.224 11.380 19.040 1.00 0.00 O ATOM 389 ND2 ASN A 24 37.034 12.777 20.568 1.00 0.00 N ATOM 0 H ASN A 24 34.110 12.543 17.379 1.00 0.00 H new ATOM 0 HA ASN A 24 34.438 14.123 19.707 1.00 0.00 H new ATOM 0 HB2 ASN A 24 36.413 13.550 17.487 1.00 0.00 H new ATOM 0 HB3 ASN A 24 36.771 14.598 18.845 1.00 0.00 H new ATOM 0 HD21 ASN A 24 37.261 11.998 21.186 1.00 0.00 H new ATOM 0 HD22 ASN A 24 37.239 13.734 20.857 1.00 0.00 H new ATOM 396 N VAL A 25 35.115 16.495 18.734 1.00 0.00 N ATOM 397 CA VAL A 25 34.873 17.896 18.391 1.00 0.00 C ATOM 398 C VAL A 25 35.182 18.362 16.975 1.00 0.00 C ATOM 399 O VAL A 25 34.666 19.399 16.520 1.00 0.00 O ATOM 400 CB VAL A 25 35.230 18.917 19.448 1.00 0.00 C ATOM 401 CG1 VAL A 25 34.651 18.482 20.798 1.00 0.00 C ATOM 402 CG2 VAL A 25 36.735 19.068 19.571 1.00 0.00 C ATOM 0 H VAL A 25 35.901 16.334 19.364 1.00 0.00 H new ATOM 0 HA VAL A 25 33.784 17.854 18.385 1.00 0.00 H new ATOM 0 HB VAL A 25 34.808 19.878 19.154 1.00 0.00 H new ATOM 0 HG11 VAL A 25 34.909 19.219 21.559 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.566 18.405 20.721 1.00 0.00 H new ATOM 0 HG13 VAL A 25 35.065 17.513 21.076 1.00 0.00 H new ATOM 0 HG21 VAL A 25 36.965 19.808 20.338 1.00 0.00 H new ATOM 0 HG22 VAL A 25 37.175 18.110 19.848 1.00 0.00 H new ATOM 0 HG23 VAL A 25 37.147 19.395 18.616 1.00 0.00 H new ATOM 412 N VAL A 26 36.009 17.660 16.204 1.00 0.00 N ATOM 413 CA VAL A 26 36.361 18.005 14.828 1.00 0.00 C ATOM 414 C VAL A 26 35.132 18.071 13.941 1.00 0.00 C ATOM 415 O VAL A 26 35.132 18.718 12.893 1.00 0.00 O ATOM 416 CB VAL A 26 37.423 17.106 14.233 1.00 0.00 C ATOM 417 CG1 VAL A 26 38.829 17.479 14.691 1.00 0.00 C ATOM 418 CG2 VAL A 26 37.186 15.692 14.698 1.00 0.00 C ATOM 0 H VAL A 26 36.467 16.809 16.529 1.00 0.00 H new ATOM 0 HA VAL A 26 36.803 19.000 14.874 1.00 0.00 H new ATOM 0 HB VAL A 26 37.355 17.213 13.150 1.00 0.00 H new ATOM 0 HG11 VAL A 26 39.552 16.803 14.235 1.00 0.00 H new ATOM 0 HG12 VAL A 26 39.050 18.503 14.390 1.00 0.00 H new ATOM 0 HG13 VAL A 26 38.892 17.398 15.776 1.00 0.00 H new ATOM 0 HG21 VAL A 26 37.947 15.037 14.274 1.00 0.00 H new ATOM 0 HG22 VAL A 26 37.239 15.653 15.786 1.00 0.00 H new ATOM 0 HG23 VAL A 26 36.200 15.362 14.371 1.00 0.00 H new ATOM 428 N LYS A 27 34.114 17.364 14.451 1.00 0.00 N ATOM 429 CA LYS A 27 32.815 17.270 13.878 1.00 0.00 C ATOM 430 C LYS A 27 32.033 18.555 14.262 1.00 0.00 C ATOM 431 O LYS A 27 31.196 19.039 13.505 1.00 0.00 O ATOM 432 CB LYS A 27 32.137 15.970 14.264 1.00 0.00 C ATOM 433 CG LYS A 27 31.653 15.160 13.046 1.00 0.00 C ATOM 434 CD LYS A 27 32.503 13.966 12.597 1.00 0.00 C ATOM 435 CE LYS A 27 33.991 14.094 12.922 1.00 0.00 C ATOM 436 NZ LYS A 27 34.924 13.151 12.254 1.00 0.00 N ATOM 0 H LYS A 27 34.204 16.827 15.314 1.00 0.00 H new ATOM 0 HA LYS A 27 32.861 17.226 12.790 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.831 15.363 14.845 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.287 16.188 14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.650 14.793 13.265 1.00 0.00 H new ATOM 0 HG3 LYS A 27 31.565 15.844 12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.117 13.062 13.069 1.00 0.00 H new ATOM 0 HD3 LYS A 27 32.388 13.838 11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.303 15.108 12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.111 13.979 13.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.822 13.635 12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.101 12.337 12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.503 12.819 11.363 1.00 0.00 H new ATOM 595 N LYS A 37 19.711 15.571 3.425 1.00 0.00 N ATOM 596 CA LYS A 37 18.468 15.097 2.835 1.00 0.00 C ATOM 597 C LYS A 37 18.403 13.623 3.254 1.00 0.00 C ATOM 598 O LYS A 37 18.998 12.826 2.501 1.00 0.00 O ATOM 599 CB LYS A 37 18.441 15.251 1.340 1.00 0.00 C ATOM 600 CG LYS A 37 17.034 15.462 0.787 1.00 0.00 C ATOM 601 CD LYS A 37 17.065 15.368 -0.742 1.00 0.00 C ATOM 602 CE LYS A 37 18.178 16.151 -1.378 1.00 0.00 C ATOM 603 NZ LYS A 37 17.979 16.458 -2.801 1.00 0.00 N ATOM 0 HA LYS A 37 17.609 15.674 3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.067 16.097 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.876 14.363 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.356 14.712 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.654 16.436 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.160 14.321 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.113 15.722 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.303 17.087 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.107 15.591 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.884 16.368 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.289 15.794 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.623 17.430 -2.900 1.00 0.00 H new ATOM 617 N LEU A 38 17.764 13.279 4.365 1.00 0.00 N ATOM 618 CA LEU A 38 17.616 11.875 4.741 1.00 0.00 C ATOM 619 C LEU A 38 17.117 11.281 3.430 1.00 0.00 C ATOM 620 O LEU A 38 17.702 10.264 3.074 1.00 0.00 O ATOM 621 CB LEU A 38 16.429 11.577 5.659 1.00 0.00 C ATOM 622 CG LEU A 38 16.439 10.344 6.570 1.00 0.00 C ATOM 623 CD1 LEU A 38 15.527 9.282 5.927 1.00 0.00 C ATOM 624 CD2 LEU A 38 17.809 9.777 6.769 1.00 0.00 C ATOM 0 H LEU A 38 17.344 13.942 5.016 1.00 0.00 H new ATOM 0 HA LEU A 38 18.535 11.530 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.291 12.448 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.544 11.502 5.027 1.00 0.00 H new ATOM 0 HG LEU A 38 16.083 10.641 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.512 8.389 6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.516 9.678 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.907 9.026 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.751 8.907 7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 38 18.224 9.480 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 38 18.452 10.530 7.224 1.00 0.00 H new ATOM 636 N THR A 39 16.170 11.989 2.906 1.00 0.00 N ATOM 637 CA THR A 39 15.443 11.743 1.636 1.00 0.00 C ATOM 638 C THR A 39 14.815 10.386 1.719 1.00 0.00 C ATOM 639 O THR A 39 15.431 9.511 2.307 1.00 0.00 O ATOM 640 CB THR A 39 16.387 11.801 0.410 1.00 0.00 C ATOM 641 OG1 THR A 39 17.353 12.768 0.706 1.00 0.00 O ATOM 642 CG2 THR A 39 15.705 12.231 -0.894 1.00 0.00 C ATOM 0 H THR A 39 15.833 12.833 3.370 1.00 0.00 H new ATOM 0 HA THR A 39 14.691 12.520 1.504 1.00 0.00 H new ATOM 0 HB THR A 39 16.778 10.797 0.246 1.00 0.00 H new ATOM 0 HG1 THR A 39 18.024 12.386 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 39 16.438 12.245 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.910 11.527 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.282 13.228 -0.772 1.00 0.00 H new ATOM 650 N ILE A 40 13.649 10.095 1.177 1.00 0.00 N ATOM 651 CA ILE A 40 13.121 8.728 1.283 1.00 0.00 C ATOM 652 C ILE A 40 12.329 8.237 0.102 1.00 0.00 C ATOM 653 O ILE A 40 11.276 8.710 -0.243 1.00 0.00 O ATOM 654 CB ILE A 40 12.292 8.537 2.549 1.00 0.00 C ATOM 655 CG1 ILE A 40 13.153 8.740 3.822 1.00 0.00 C ATOM 656 CG2 ILE A 40 11.630 7.142 2.642 1.00 0.00 C ATOM 657 CD1 ILE A 40 12.291 8.774 5.098 1.00 0.00 C ATOM 0 H ILE A 40 13.057 10.755 0.672 1.00 0.00 H new ATOM 0 HA ILE A 40 14.025 8.119 1.318 1.00 0.00 H new ATOM 0 HB ILE A 40 11.508 9.292 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.884 7.935 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.713 9.671 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.056 7.073 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.966 6.997 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.401 6.372 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.933 8.918 5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.578 9.596 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.751 7.832 5.198 1.00 0.00 H new ATOM 669 N THR A 41 12.849 7.203 -0.570 1.00 0.00 N ATOM 670 CA THR A 41 12.186 6.612 -1.724 1.00 0.00 C ATOM 671 C THR A 41 11.829 5.185 -1.336 1.00 0.00 C ATOM 672 O THR A 41 12.578 4.222 -1.502 1.00 0.00 O ATOM 673 CB THR A 41 12.932 6.578 -3.035 1.00 0.00 C ATOM 674 OG1 THR A 41 13.785 7.657 -3.164 1.00 0.00 O ATOM 675 CG2 THR A 41 11.904 6.656 -4.161 1.00 0.00 C ATOM 0 H THR A 41 13.735 6.760 -0.327 1.00 0.00 H new ATOM 0 HA THR A 41 11.341 7.267 -1.935 1.00 0.00 H new ATOM 0 HB THR A 41 13.522 5.662 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.253 7.603 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.416 6.633 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.224 5.807 -4.092 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.338 7.583 -4.073 1.00 0.00 H new ATOM 683 N GLN A 42 10.656 5.007 -0.798 1.00 0.00 N ATOM 684 CA GLN A 42 10.238 3.692 -0.405 1.00 0.00 C ATOM 685 C GLN A 42 10.162 2.741 -1.570 1.00 0.00 C ATOM 686 O GLN A 42 9.793 3.119 -2.685 1.00 0.00 O ATOM 687 CB GLN A 42 8.808 3.901 0.157 1.00 0.00 C ATOM 688 CG GLN A 42 7.709 4.268 -0.835 1.00 0.00 C ATOM 689 CD GLN A 42 6.774 5.371 -0.314 1.00 0.00 C ATOM 690 OE1 GLN A 42 6.918 5.985 0.784 1.00 0.00 O ATOM 691 NE2 GLN A 42 5.764 5.626 -1.160 1.00 0.00 N ATOM 0 H GLN A 42 9.978 5.748 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 42 10.943 3.258 0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.509 2.985 0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.855 4.685 0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.165 4.597 -1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.121 3.379 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.687 5.106 -2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.073 6.340 -0.929 1.00 0.00 H new ATOM 700 N GLU A 43 10.508 1.522 -1.311 1.00 0.00 N ATOM 701 CA GLU A 43 10.528 0.410 -2.261 1.00 0.00 C ATOM 702 C GLU A 43 9.956 -0.758 -1.494 1.00 0.00 C ATOM 703 O GLU A 43 9.354 -0.466 -0.459 1.00 0.00 O ATOM 704 CB GLU A 43 11.959 0.229 -2.788 1.00 0.00 C ATOM 705 CG GLU A 43 12.143 0.415 -4.299 1.00 0.00 C ATOM 706 CD GLU A 43 12.299 -0.988 -4.776 1.00 0.00 C ATOM 707 OE1 GLU A 43 11.198 -1.652 -4.773 1.00 0.00 O ATOM 708 OE2 GLU A 43 13.343 -1.473 -5.130 1.00 0.00 O ATOM 0 H GLU A 43 10.806 1.238 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 43 9.931 0.555 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.608 0.937 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.301 -0.771 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.284 0.906 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.018 1.023 -4.530 1.00 0.00 H new ATOM 715 N GLY A 44 10.134 -1.987 -1.978 1.00 0.00 N ATOM 716 CA GLY A 44 9.618 -3.169 -1.311 1.00 0.00 C ATOM 717 C GLY A 44 10.265 -3.204 0.072 1.00 0.00 C ATOM 718 O GLY A 44 11.309 -3.790 0.338 1.00 0.00 O ATOM 0 H GLY A 44 10.639 -2.185 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.532 -3.126 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.860 -4.070 -1.875 1.00 0.00 H new ATOM 722 N ASN A 45 9.567 -2.519 0.981 1.00 0.00 N ATOM 723 CA ASN A 45 9.896 -2.353 2.376 1.00 0.00 C ATOM 724 C ASN A 45 11.130 -1.425 2.411 1.00 0.00 C ATOM 725 O ASN A 45 10.949 -0.284 2.819 1.00 0.00 O ATOM 726 CB ASN A 45 10.156 -3.729 3.019 1.00 0.00 C ATOM 727 CG ASN A 45 9.056 -4.713 2.614 1.00 0.00 C ATOM 728 OD1 ASN A 45 9.147 -5.432 1.581 1.00 0.00 O ATOM 729 ND2 ASN A 45 8.003 -4.757 3.422 1.00 0.00 N ATOM 0 H ASN A 45 8.702 -2.039 0.733 1.00 0.00 H new ATOM 0 HA ASN A 45 9.086 -1.907 2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.128 -4.108 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.187 -3.632 4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.229 -5.389 3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.968 -4.159 4.248 1.00 0.00 H new ATOM 736 N LYS A 46 12.287 -1.892 2.025 1.00 0.00 N ATOM 737 CA LYS A 46 13.496 -1.092 1.999 1.00 0.00 C ATOM 738 C LYS A 46 13.183 0.282 1.443 1.00 0.00 C ATOM 739 O LYS A 46 12.196 0.569 0.740 1.00 0.00 O ATOM 740 CB LYS A 46 14.506 -1.621 0.962 1.00 0.00 C ATOM 741 CG LYS A 46 15.124 -0.615 0.000 1.00 0.00 C ATOM 742 CD LYS A 46 14.197 -0.116 -1.124 1.00 0.00 C ATOM 743 CE LYS A 46 14.890 -0.124 -2.472 1.00 0.00 C ATOM 744 NZ LYS A 46 14.899 -1.454 -3.116 1.00 0.00 N ATOM 0 H LYS A 46 12.425 -2.853 1.714 1.00 0.00 H new ATOM 0 HA LYS A 46 13.880 -1.104 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.316 -2.110 1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.008 -2.389 0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.467 0.246 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.006 -1.067 -0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.309 -0.746 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.860 0.895 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.395 0.588 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.917 0.219 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.864 -1.840 -3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.262 -2.094 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.577 -1.365 -4.101 1.00 0.00 H new ATOM 758 N PHE A 47 14.141 1.166 1.751 1.00 0.00 N ATOM 759 CA PHE A 47 14.002 2.494 1.209 1.00 0.00 C ATOM 760 C PHE A 47 15.321 3.223 1.026 1.00 0.00 C ATOM 761 O PHE A 47 16.079 3.584 1.892 1.00 0.00 O ATOM 762 CB PHE A 47 13.052 3.352 2.107 1.00 0.00 C ATOM 763 CG PHE A 47 13.277 3.283 3.578 1.00 0.00 C ATOM 764 CD1 PHE A 47 12.815 2.106 4.218 1.00 0.00 C ATOM 765 CD2 PHE A 47 13.877 4.214 4.382 1.00 0.00 C ATOM 766 CE1 PHE A 47 12.942 1.862 5.582 1.00 0.00 C ATOM 767 CE2 PHE A 47 14.028 4.009 5.750 1.00 0.00 C ATOM 768 CZ PHE A 47 13.562 2.837 6.347 1.00 0.00 C ATOM 0 H PHE A 47 14.961 0.992 2.332 1.00 0.00 H new ATOM 0 HA PHE A 47 13.574 2.365 0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 47 13.141 4.393 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 47 12.025 3.046 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.335 1.353 3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 47 14.242 5.131 3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.572 0.950 6.026 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.510 4.763 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.685 2.689 7.410 1.00 0.00 H new ATOM 778 N THR A 48 15.601 3.433 -0.254 1.00 0.00 N ATOM 779 CA THR A 48 16.758 4.068 -0.759 1.00 0.00 C ATOM 780 C THR A 48 16.713 5.413 -0.173 1.00 0.00 C ATOM 781 O THR A 48 16.083 6.327 -0.727 1.00 0.00 O ATOM 782 CB THR A 48 16.777 4.225 -2.313 1.00 0.00 C ATOM 783 OG1 THR A 48 16.789 2.952 -2.917 1.00 0.00 O ATOM 784 CG2 THR A 48 17.920 5.096 -2.822 1.00 0.00 C ATOM 0 H THR A 48 14.968 3.135 -0.996 1.00 0.00 H new ATOM 0 HA THR A 48 17.636 3.473 -0.509 1.00 0.00 H new ATOM 0 HB THR A 48 15.867 4.753 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 48 16.799 3.053 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.872 5.161 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 48 17.835 6.095 -2.394 1.00 0.00 H new ATOM 0 HG23 THR A 48 18.872 4.655 -2.527 1.00 0.00 H new ATOM 792 N VAL A 49 17.378 5.555 0.953 1.00 0.00 N ATOM 793 CA VAL A 49 17.370 6.891 1.589 1.00 0.00 C ATOM 794 C VAL A 49 18.628 7.515 1.017 1.00 0.00 C ATOM 795 O VAL A 49 19.573 6.770 0.759 1.00 0.00 O ATOM 796 CB VAL A 49 17.509 6.887 3.087 1.00 0.00 C ATOM 797 CG1 VAL A 49 17.025 5.558 3.701 1.00 0.00 C ATOM 798 CG2 VAL A 49 18.970 7.081 3.511 1.00 0.00 C ATOM 0 H VAL A 49 17.904 4.827 1.436 1.00 0.00 H new ATOM 0 HA VAL A 49 16.423 7.395 1.396 1.00 0.00 H new ATOM 0 HB VAL A 49 16.894 7.711 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 49 17.141 5.594 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.975 5.404 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 49 17.616 4.735 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.037 7.073 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.577 6.272 3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 49 19.335 8.035 3.132 1.00 0.00 H new ATOM 808 N LYS A 50 18.646 8.806 0.831 1.00 0.00 N ATOM 809 CA LYS A 50 19.840 9.420 0.296 1.00 0.00 C ATOM 810 C LYS A 50 20.792 9.568 1.442 1.00 0.00 C ATOM 811 O LYS A 50 21.404 8.516 1.734 1.00 0.00 O ATOM 812 CB LYS A 50 19.659 10.771 -0.342 1.00 0.00 C ATOM 813 CG LYS A 50 19.337 10.744 -1.798 1.00 0.00 C ATOM 814 CD LYS A 50 19.098 12.168 -2.232 1.00 0.00 C ATOM 815 CE LYS A 50 19.244 12.164 -3.704 1.00 0.00 C ATOM 816 NZ LYS A 50 18.698 13.420 -4.207 1.00 0.00 N ATOM 0 H LYS A 50 17.875 9.442 1.033 1.00 0.00 H new ATOM 0 HA LYS A 50 20.191 8.774 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.862 11.299 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.572 11.349 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.157 10.302 -2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.454 10.132 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.105 12.506 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.816 12.845 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.293 12.063 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.715 11.316 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.947 13.220 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.304 13.969 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.454 13.968 -4.666 1.00 0.00 H new ATOM 830 N GLU A 51 20.895 10.751 2.019 1.00 0.00 N ATOM 831 CA GLU A 51 21.772 11.072 3.117 1.00 0.00 C ATOM 832 C GLU A 51 22.931 11.897 2.611 1.00 0.00 C ATOM 833 O GLU A 51 24.075 11.429 2.669 1.00 0.00 O ATOM 834 CB GLU A 51 22.379 9.862 3.775 1.00 0.00 C ATOM 835 CG GLU A 51 23.061 10.141 5.100 1.00 0.00 C ATOM 836 CD GLU A 51 23.475 8.862 5.745 1.00 0.00 C ATOM 837 OE1 GLU A 51 22.579 8.052 6.362 1.00 0.00 O ATOM 838 OE2 GLU A 51 24.651 8.632 5.666 1.00 0.00 O ATOM 0 H GLU A 51 20.339 11.550 1.715 1.00 0.00 H new ATOM 0 HA GLU A 51 21.153 11.600 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.597 9.120 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.105 9.420 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.933 10.776 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.384 10.686 5.758 1.00 0.00 H new ATOM 845 N SER A 52 22.735 13.089 2.118 1.00 0.00 N ATOM 846 CA SER A 52 23.821 13.922 1.619 1.00 0.00 C ATOM 847 C SER A 52 23.870 15.115 2.548 1.00 0.00 C ATOM 848 O SER A 52 22.996 15.996 2.472 1.00 0.00 O ATOM 849 CB SER A 52 23.512 14.407 0.244 1.00 0.00 C ATOM 850 OG SER A 52 22.849 13.364 -0.462 1.00 0.00 O ATOM 0 H SER A 52 21.815 13.523 2.046 1.00 0.00 H new ATOM 0 HA SER A 52 24.760 13.369 1.584 1.00 0.00 H new ATOM 0 HB2 SER A 52 22.882 15.295 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 52 24.429 14.692 -0.273 1.00 0.00 H new ATOM 0 HG SER A 52 22.636 13.667 -1.369 1.00 0.00 H new ATOM 856 N SER A 53 24.864 15.166 3.421 1.00 0.00 N ATOM 857 CA SER A 53 24.982 16.261 4.357 1.00 0.00 C ATOM 858 C SER A 53 26.062 17.233 3.990 1.00 0.00 C ATOM 859 O SER A 53 26.841 17.562 4.876 1.00 0.00 O ATOM 860 CB SER A 53 25.322 15.695 5.748 1.00 0.00 C ATOM 861 OG SER A 53 26.330 14.725 5.638 1.00 0.00 O ATOM 0 H SER A 53 25.597 14.461 3.497 1.00 0.00 H new ATOM 0 HA SER A 53 24.029 16.789 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 53 25.650 16.499 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 53 24.432 15.257 6.199 1.00 0.00 H new ATOM 0 HG SER A 53 27.202 15.138 5.809 1.00 0.00 H new ATOM 867 N ASN A 54 26.161 17.701 2.773 1.00 0.00 N ATOM 868 CA ASN A 54 27.239 18.655 2.455 1.00 0.00 C ATOM 869 C ASN A 54 28.629 18.082 2.641 1.00 0.00 C ATOM 870 O ASN A 54 29.584 18.860 2.583 1.00 0.00 O ATOM 871 CB ASN A 54 27.088 19.914 3.337 1.00 0.00 C ATOM 872 CG ASN A 54 27.697 21.158 2.760 1.00 0.00 C ATOM 873 OD1 ASN A 54 27.755 21.256 1.539 1.00 0.00 O ATOM 874 ND2 ASN A 54 28.152 22.114 3.567 1.00 0.00 N ATOM 0 H ASN A 54 25.543 17.460 1.998 1.00 0.00 H new ATOM 0 HA ASN A 54 27.136 18.899 1.398 1.00 0.00 H new ATOM 0 HB2 ASN A 54 26.027 20.093 3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 54 27.544 19.718 4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 54 28.564 22.960 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 54 28.088 22.000 4.579 1.00 0.00 H new ATOM 881 N PHE A 55 28.710 16.791 2.849 1.00 0.00 N ATOM 882 CA PHE A 55 29.945 16.064 3.051 1.00 0.00 C ATOM 883 C PHE A 55 29.896 14.611 3.299 1.00 0.00 C ATOM 884 O PHE A 55 30.947 14.042 3.519 1.00 0.00 O ATOM 885 CB PHE A 55 30.797 16.616 4.201 1.00 0.00 C ATOM 886 CG PHE A 55 30.302 16.323 5.553 1.00 0.00 C ATOM 887 CD1 PHE A 55 29.097 15.709 5.833 1.00 0.00 C ATOM 888 CD2 PHE A 55 31.105 16.687 6.649 1.00 0.00 C ATOM 889 CE1 PHE A 55 28.700 15.459 7.151 1.00 0.00 C ATOM 890 CE2 PHE A 55 30.723 16.448 7.955 1.00 0.00 C ATOM 891 CZ PHE A 55 29.520 15.832 8.210 1.00 0.00 C ATOM 0 H PHE A 55 27.886 16.191 2.884 1.00 0.00 H new ATOM 0 HA PHE A 55 30.367 16.221 2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 55 31.806 16.214 4.108 1.00 0.00 H new ATOM 0 HB3 PHE A 55 30.873 17.697 4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 55 28.449 15.417 5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 55 32.053 17.170 6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 55 27.754 14.975 7.346 1.00 0.00 H new ATOM 0 HE2 PHE A 55 31.366 16.743 8.771 1.00 0.00 H new ATOM 0 HZ PHE A 55 29.214 15.639 9.228 1.00 0.00 H new ATOM 901 N ARG A 56 28.748 13.972 3.271 1.00 0.00 N ATOM 902 CA ARG A 56 28.617 12.541 3.487 1.00 0.00 C ATOM 903 C ARG A 56 27.761 11.983 2.373 1.00 0.00 C ATOM 904 O ARG A 56 27.191 10.924 2.567 1.00 0.00 O ATOM 905 CB ARG A 56 27.794 12.256 4.731 1.00 0.00 C ATOM 906 CG ARG A 56 28.116 10.911 5.359 1.00 0.00 C ATOM 907 CD ARG A 56 29.520 10.808 5.921 1.00 0.00 C ATOM 908 NE ARG A 56 29.545 9.902 7.068 1.00 0.00 N ATOM 909 CZ ARG A 56 30.612 9.779 7.852 1.00 0.00 C ATOM 910 NH1 ARG A 56 31.700 10.504 7.591 1.00 0.00 N ATOM 911 NH2 ARG A 56 30.684 8.978 8.893 1.00 0.00 N ATOM 0 H ARG A 56 27.858 14.439 3.094 1.00 0.00 H new ATOM 0 HA ARG A 56 29.620 12.119 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 56 27.968 13.044 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 56 26.735 12.287 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 56 27.401 10.716 6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 56 27.978 10.131 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 56 30.201 10.448 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 56 29.872 11.795 6.221 1.00 0.00 H new ATOM 0 HE ARG A 56 28.716 9.345 7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 56 31.708 11.144 6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 56 32.525 10.418 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 56 29.885 8.397 9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.539 8.938 9.448 1.00 0.00 H new ATOM 925 N ASN A 57 27.761 12.748 1.330 1.00 0.00 N ATOM 926 CA ASN A 57 27.073 12.539 0.106 1.00 0.00 C ATOM 927 C ASN A 57 27.038 11.058 -0.180 1.00 0.00 C ATOM 928 O ASN A 57 28.056 10.443 -0.523 1.00 0.00 O ATOM 929 CB ASN A 57 27.838 13.285 -0.998 1.00 0.00 C ATOM 930 CG ASN A 57 27.079 13.274 -2.312 1.00 0.00 C ATOM 931 OD1 ASN A 57 26.155 12.456 -2.497 1.00 0.00 O ATOM 932 ND2 ASN A 57 27.455 14.161 -3.213 1.00 0.00 N ATOM 0 H ASN A 57 28.295 13.617 1.317 1.00 0.00 H new ATOM 0 HA ASN A 57 26.050 12.911 0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 57 28.013 14.315 -0.687 1.00 0.00 H new ATOM 0 HB3 ASN A 57 28.816 12.824 -1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 57 26.983 14.202 -4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 57 28.218 14.806 -3.006 1.00 0.00 H new ATOM 939 N ILE A 58 25.847 10.490 -0.029 1.00 0.00 N ATOM 940 CA ILE A 58 25.730 9.089 -0.276 1.00 0.00 C ATOM 941 C ILE A 58 24.254 8.699 -0.211 1.00 0.00 C ATOM 942 O ILE A 58 23.368 9.474 0.168 1.00 0.00 O ATOM 943 CB ILE A 58 26.472 8.262 0.747 1.00 0.00 C ATOM 944 CG1 ILE A 58 27.132 7.009 0.212 1.00 0.00 C ATOM 945 CG2 ILE A 58 25.584 7.858 1.914 1.00 0.00 C ATOM 946 CD1 ILE A 58 28.600 7.015 0.598 1.00 0.00 C ATOM 0 H ILE A 58 24.991 10.968 0.252 1.00 0.00 H new ATOM 0 HA ILE A 58 26.162 8.893 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 58 27.263 8.937 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 58 26.641 6.124 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 58 27.029 6.964 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 58 26.162 7.265 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 58 25.207 8.752 2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 58 24.745 7.267 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 58 29.081 6.115 0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 58 29.085 7.894 0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 58 28.691 7.041 1.684 1.00 0.00 H new ATOM 958 N ASP A 59 24.053 7.469 -0.597 1.00 0.00 N ATOM 959 CA ASP A 59 22.723 6.892 -0.613 1.00 0.00 C ATOM 960 C ASP A 59 22.830 5.688 0.267 1.00 0.00 C ATOM 961 O ASP A 59 23.955 5.147 0.358 1.00 0.00 O ATOM 962 CB ASP A 59 22.336 6.430 -2.036 1.00 0.00 C ATOM 963 CG ASP A 59 23.410 5.882 -2.913 1.00 0.00 C ATOM 964 OD1 ASP A 59 24.162 4.943 -2.416 1.00 0.00 O ATOM 965 OD2 ASP A 59 23.530 6.337 -4.043 1.00 0.00 O ATOM 0 H ASP A 59 24.792 6.839 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 59 21.972 7.611 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 59 21.563 5.668 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.886 7.278 -2.551 1.00 0.00 H new ATOM 970 N VAL A 60 21.766 5.222 0.922 1.00 0.00 N ATOM 971 CA VAL A 60 21.836 4.082 1.768 1.00 0.00 C ATOM 972 C VAL A 60 20.594 3.254 1.654 1.00 0.00 C ATOM 973 O VAL A 60 19.580 3.654 2.263 1.00 0.00 O ATOM 974 CB VAL A 60 21.982 4.544 3.227 1.00 0.00 C ATOM 975 CG1 VAL A 60 22.150 3.324 4.121 1.00 0.00 C ATOM 976 CG2 VAL A 60 23.205 5.395 3.415 1.00 0.00 C ATOM 0 H VAL A 60 20.839 5.643 0.865 1.00 0.00 H new ATOM 0 HA VAL A 60 22.693 3.481 1.464 1.00 0.00 H new ATOM 0 HB VAL A 60 21.091 5.119 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.254 3.644 5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 60 21.276 2.680 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 60 23.041 2.773 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 60 23.277 5.704 4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 60 24.092 4.822 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 60 23.135 6.278 2.779 1.00 0.00 H new ATOM 986 N VAL A 61 20.585 2.155 0.941 1.00 0.00 N ATOM 987 CA VAL A 61 19.337 1.367 0.872 1.00 0.00 C ATOM 988 C VAL A 61 19.104 0.809 2.236 1.00 0.00 C ATOM 989 O VAL A 61 20.116 0.425 2.841 1.00 0.00 O ATOM 990 CB VAL A 61 19.524 0.296 -0.173 1.00 0.00 C ATOM 991 CG1 VAL A 61 18.219 -0.492 -0.351 1.00 0.00 C ATOM 992 CG2 VAL A 61 19.970 0.957 -1.495 1.00 0.00 C ATOM 0 H VAL A 61 21.376 1.782 0.416 1.00 0.00 H new ATOM 0 HA VAL A 61 18.467 1.957 0.585 1.00 0.00 H new ATOM 0 HB VAL A 61 20.295 -0.407 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.360 -1.264 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 61 17.943 -0.957 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 61 17.426 0.185 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 61 20.108 0.190 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.207 1.663 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.910 1.486 -1.338 1.00 0.00 H new ATOM 1002 N PHE A 62 17.920 0.738 2.767 1.00 0.00 N ATOM 1003 CA PHE A 62 17.796 0.218 4.091 1.00 0.00 C ATOM 1004 C PHE A 62 17.210 -1.158 4.211 1.00 0.00 C ATOM 1005 O PHE A 62 17.737 -1.942 5.046 1.00 0.00 O ATOM 1006 CB PHE A 62 16.851 1.154 4.898 1.00 0.00 C ATOM 1007 CG PHE A 62 17.458 2.357 5.580 1.00 0.00 C ATOM 1008 CD1 PHE A 62 18.664 2.902 5.174 1.00 0.00 C ATOM 1009 CD2 PHE A 62 16.780 2.911 6.632 1.00 0.00 C ATOM 1010 CE1 PHE A 62 19.175 3.998 5.836 1.00 0.00 C ATOM 1011 CE2 PHE A 62 17.263 4.009 7.313 1.00 0.00 C ATOM 1012 CZ PHE A 62 18.475 4.565 6.919 1.00 0.00 C ATOM 0 H PHE A 62 17.050 1.025 2.318 1.00 0.00 H new ATOM 0 HA PHE A 62 18.820 0.163 4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 62 16.075 1.510 4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 62 16.356 0.552 5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 62 19.202 2.471 4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.840 2.476 6.938 1.00 0.00 H new ATOM 0 HE1 PHE A 62 20.117 4.424 5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.709 4.430 8.139 1.00 0.00 H new ATOM 0 HZ PHE A 62 18.876 5.423 7.438 1.00 0.00 H new ATOM 1022 N GLU A 63 16.183 -1.488 3.483 1.00 0.00 N ATOM 1023 CA GLU A 63 15.573 -2.818 3.679 1.00 0.00 C ATOM 1024 C GLU A 63 15.163 -2.753 5.152 1.00 0.00 C ATOM 1025 O GLU A 63 15.218 -3.741 5.907 1.00 0.00 O ATOM 1026 CB GLU A 63 16.421 -4.039 3.347 1.00 0.00 C ATOM 1027 CG GLU A 63 15.868 -4.851 2.128 1.00 0.00 C ATOM 1028 CD GLU A 63 15.706 -6.322 2.402 1.00 0.00 C ATOM 1029 OE1 GLU A 63 16.824 -6.977 2.347 1.00 0.00 O ATOM 1030 OE2 GLU A 63 14.592 -6.782 2.647 1.00 0.00 O ATOM 0 H GLU A 63 15.748 -0.900 2.772 1.00 0.00 H new ATOM 0 HA GLU A 63 14.761 -2.982 2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 63 17.441 -3.719 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.469 -4.690 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.903 -4.437 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.541 -4.721 1.281 1.00 0.00 H new ATOM 1037 N LEU A 64 14.746 -1.544 5.572 1.00 0.00 N ATOM 1038 CA LEU A 64 14.359 -1.308 6.920 1.00 0.00 C ATOM 1039 C LEU A 64 15.589 -1.569 7.826 1.00 0.00 C ATOM 1040 O LEU A 64 16.573 -0.864 7.647 1.00 0.00 O ATOM 1041 CB LEU A 64 13.199 -2.199 7.353 1.00 0.00 C ATOM 1042 CG LEU A 64 11.857 -2.082 6.594 1.00 0.00 C ATOM 1043 CD1 LEU A 64 11.106 -0.875 7.190 1.00 0.00 C ATOM 1044 CD2 LEU A 64 12.002 -1.941 5.097 1.00 0.00 C ATOM 0 H LEU A 64 14.678 -0.726 4.967 1.00 0.00 H new ATOM 0 HA LEU A 64 14.016 -0.277 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.531 -3.235 7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.003 -1.999 8.406 1.00 0.00 H new ATOM 0 HG LEU A 64 11.303 -3.012 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.149 -0.755 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.934 -1.043 8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.703 0.027 7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.015 -1.865 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.577 -1.043 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.520 -2.813 4.698 1.00 0.00 H new ATOM 1056 N GLY A 65 15.507 -2.510 8.744 1.00 0.00 N ATOM 1057 CA GLY A 65 16.619 -2.793 9.675 1.00 0.00 C ATOM 1058 C GLY A 65 17.405 -4.033 9.294 1.00 0.00 C ATOM 1059 O GLY A 65 16.794 -4.990 8.831 1.00 0.00 O ATOM 0 H GLY A 65 14.687 -3.102 8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.292 -1.936 9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.221 -2.916 10.682 1.00 0.00 H new ATOM 1063 N VAL A 66 18.714 -3.971 9.502 1.00 0.00 N ATOM 1064 CA VAL A 66 19.592 -5.073 9.184 1.00 0.00 C ATOM 1065 C VAL A 66 20.920 -4.789 9.911 1.00 0.00 C ATOM 1066 O VAL A 66 21.759 -4.151 9.317 1.00 0.00 O ATOM 1067 CB VAL A 66 19.863 -5.043 7.684 1.00 0.00 C ATOM 1068 CG1 VAL A 66 18.738 -5.739 6.953 1.00 0.00 C ATOM 1069 CG2 VAL A 66 19.973 -3.612 7.129 1.00 0.00 C ATOM 0 H VAL A 66 19.188 -3.157 9.894 1.00 0.00 H new ATOM 0 HA VAL A 66 19.163 -6.032 9.473 1.00 0.00 H new ATOM 0 HB VAL A 66 20.817 -5.547 7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.932 -5.717 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 66 18.671 -6.774 7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 66 17.798 -5.229 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 66 20.166 -3.651 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.040 -3.079 7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 66 20.791 -3.091 7.626 1.00 0.00 H new ATOM 1079 N ASP A 67 20.990 -5.279 11.118 1.00 0.00 N ATOM 1080 CA ASP A 67 22.129 -5.138 11.979 1.00 0.00 C ATOM 1081 C ASP A 67 23.394 -4.669 11.330 1.00 0.00 C ATOM 1082 O ASP A 67 24.345 -5.399 11.043 1.00 0.00 O ATOM 1083 CB ASP A 67 22.295 -6.389 12.888 1.00 0.00 C ATOM 1084 CG ASP A 67 21.052 -6.831 13.588 1.00 0.00 C ATOM 1085 OD1 ASP A 67 20.785 -6.217 14.705 1.00 0.00 O ATOM 1086 OD2 ASP A 67 20.332 -7.710 13.146 1.00 0.00 O ATOM 0 H ASP A 67 20.227 -5.806 11.543 1.00 0.00 H new ATOM 0 HA ASP A 67 21.902 -4.290 12.625 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.664 -7.215 12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.059 -6.177 13.636 1.00 0.00 H new ATOM 1091 N PHE A 68 23.364 -3.354 11.081 1.00 0.00 N ATOM 1092 CA PHE A 68 24.463 -2.662 10.435 1.00 0.00 C ATOM 1093 C PHE A 68 25.773 -2.771 11.162 1.00 0.00 C ATOM 1094 O PHE A 68 26.653 -3.485 10.704 1.00 0.00 O ATOM 1095 CB PHE A 68 24.111 -1.158 10.142 1.00 0.00 C ATOM 1096 CG PHE A 68 23.122 -0.996 9.047 1.00 0.00 C ATOM 1097 CD1 PHE A 68 23.497 -1.191 7.705 1.00 0.00 C ATOM 1098 CD2 PHE A 68 21.790 -0.649 9.276 1.00 0.00 C ATOM 1099 CE1 PHE A 68 22.536 -1.029 6.698 1.00 0.00 C ATOM 1100 CE2 PHE A 68 20.831 -0.486 8.282 1.00 0.00 C ATOM 1101 CZ PHE A 68 21.232 -0.683 6.980 1.00 0.00 C ATOM 0 H PHE A 68 22.578 -2.751 11.324 1.00 0.00 H new ATOM 0 HA PHE A 68 24.603 -3.181 9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 68 23.718 -0.699 11.049 1.00 0.00 H new ATOM 0 HB3 PHE A 68 25.023 -0.621 9.882 1.00 0.00 H new ATOM 0 HD1 PHE A 68 24.512 -1.462 7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 68 21.481 -0.496 10.300 1.00 0.00 H new ATOM 0 HE1 PHE A 68 22.826 -1.180 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 68 19.813 -0.216 8.522 1.00 0.00 H new ATOM 0 HZ PHE A 68 20.521 -0.566 6.175 1.00 0.00 H new ATOM 1111 N ALA A 69 25.826 -2.047 12.258 1.00 0.00 N ATOM 1112 CA ALA A 69 26.990 -1.971 13.135 1.00 0.00 C ATOM 1113 C ALA A 69 27.990 -1.002 12.485 1.00 0.00 C ATOM 1114 O ALA A 69 29.187 -1.214 12.421 1.00 0.00 O ATOM 1115 CB ALA A 69 27.593 -3.337 13.323 1.00 0.00 C ATOM 0 H ALA A 69 25.043 -1.477 12.579 1.00 0.00 H new ATOM 0 HA ALA A 69 26.711 -1.609 14.124 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.460 -3.265 13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 69 26.854 -4.002 13.770 1.00 0.00 H new ATOM 0 HB3 ALA A 69 27.902 -3.735 12.356 1.00 0.00 H new ATOM 1121 N TYR A 70 27.380 0.094 12.007 1.00 0.00 N ATOM 1122 CA TYR A 70 28.125 1.144 11.353 1.00 0.00 C ATOM 1123 C TYR A 70 27.909 2.403 12.142 1.00 0.00 C ATOM 1124 O TYR A 70 26.761 2.757 12.276 1.00 0.00 O ATOM 1125 CB TYR A 70 27.593 1.448 9.925 1.00 0.00 C ATOM 1126 CG TYR A 70 27.948 2.838 9.415 1.00 0.00 C ATOM 1127 CD1 TYR A 70 29.181 3.401 9.672 1.00 0.00 C ATOM 1128 CD2 TYR A 70 27.038 3.610 8.659 1.00 0.00 C ATOM 1129 CE1 TYR A 70 29.518 4.682 9.206 1.00 0.00 C ATOM 1130 CE2 TYR A 70 27.383 4.878 8.204 1.00 0.00 C ATOM 1131 CZ TYR A 70 28.622 5.463 8.455 1.00 0.00 C ATOM 1132 OH TYR A 70 28.995 6.703 8.027 1.00 0.00 O ATOM 0 H TYR A 70 26.376 0.262 12.068 1.00 0.00 H new ATOM 0 HA TYR A 70 29.166 0.825 11.291 1.00 0.00 H new ATOM 0 HB2 TYR A 70 27.992 0.706 9.234 1.00 0.00 H new ATOM 0 HB3 TYR A 70 26.509 1.337 9.921 1.00 0.00 H new ATOM 0 HD1 TYR A 70 29.905 2.842 10.246 1.00 0.00 H new ATOM 0 HD2 TYR A 70 26.061 3.210 8.431 1.00 0.00 H new ATOM 0 HE1 TYR A 70 30.496 5.080 9.432 1.00 0.00 H new ATOM 0 HE2 TYR A 70 26.657 5.435 7.630 1.00 0.00 H new ATOM 0 HH TYR A 70 28.261 7.109 7.521 1.00 0.00 H new ATOM 1142 N SER A 71 29.011 2.988 12.605 1.00 0.00 N ATOM 1143 CA SER A 71 28.901 4.196 13.370 1.00 0.00 C ATOM 1144 C SER A 71 28.030 5.223 12.665 1.00 0.00 C ATOM 1145 O SER A 71 28.322 5.566 11.521 1.00 0.00 O ATOM 1146 CB SER A 71 30.221 4.888 13.637 1.00 0.00 C ATOM 1147 OG SER A 71 30.500 6.012 12.858 1.00 0.00 O ATOM 0 H SER A 71 29.961 2.645 12.462 1.00 0.00 H new ATOM 0 HA SER A 71 28.469 3.862 14.314 1.00 0.00 H new ATOM 0 HB2 SER A 71 30.246 5.184 14.686 1.00 0.00 H new ATOM 0 HB3 SER A 71 31.022 4.164 13.491 1.00 0.00 H new ATOM 0 HG SER A 71 30.027 5.943 12.002 1.00 0.00 H new ATOM 1153 N LEU A 72 27.022 5.646 13.372 1.00 0.00 N ATOM 1154 CA LEU A 72 26.036 6.595 12.975 1.00 0.00 C ATOM 1155 C LEU A 72 26.661 7.660 12.091 1.00 0.00 C ATOM 1156 O LEU A 72 26.100 8.008 11.029 1.00 0.00 O ATOM 1157 CB LEU A 72 25.428 7.228 14.245 1.00 0.00 C ATOM 1158 CG LEU A 72 24.733 8.551 14.050 1.00 0.00 C ATOM 1159 CD1 LEU A 72 25.684 9.727 13.820 1.00 0.00 C ATOM 1160 CD2 LEU A 72 23.726 8.406 12.912 1.00 0.00 C ATOM 0 H LEU A 72 26.860 5.304 14.319 1.00 0.00 H new ATOM 0 HA LEU A 72 25.251 6.103 12.401 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.715 6.524 14.673 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.223 7.361 14.978 1.00 0.00 H new ATOM 0 HG LEU A 72 24.220 8.798 14.979 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.106 10.642 13.689 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.344 9.835 14.681 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.280 9.543 12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.213 9.355 12.757 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.248 8.122 11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 72 22.997 7.637 13.167 1.00 0.00 H new ATOM 1172 N ALA A 73 27.830 8.151 12.563 1.00 0.00 N ATOM 1173 CA ALA A 73 28.610 9.168 11.889 1.00 0.00 C ATOM 1174 C ALA A 73 29.881 9.580 12.627 1.00 0.00 C ATOM 1175 O ALA A 73 29.826 10.555 13.390 1.00 0.00 O ATOM 1176 CB ALA A 73 27.795 10.413 11.466 1.00 0.00 C ATOM 0 H ALA A 73 28.249 7.835 13.438 1.00 0.00 H new ATOM 0 HA ALA A 73 28.925 8.664 10.975 1.00 0.00 H new ATOM 0 HB1 ALA A 73 28.452 11.126 10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 73 27.001 10.113 10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 73 27.357 10.878 12.349 1.00 0.00 H new ATOM 1182 N ASP A 74 30.945 8.823 12.362 1.00 0.00 N ATOM 1183 CA ASP A 74 32.291 8.960 12.906 1.00 0.00 C ATOM 1184 C ASP A 74 32.501 8.574 14.347 1.00 0.00 C ATOM 1185 O ASP A 74 33.610 8.724 14.874 1.00 0.00 O ATOM 1186 CB ASP A 74 32.928 10.291 12.622 1.00 0.00 C ATOM 1187 CG ASP A 74 33.517 10.337 11.213 1.00 0.00 C ATOM 1188 OD1 ASP A 74 34.414 9.502 10.820 1.00 0.00 O ATOM 1189 OD2 ASP A 74 33.131 11.232 10.352 1.00 0.00 O ATOM 0 H ASP A 74 30.881 8.039 11.712 1.00 0.00 H new ATOM 0 HA ASP A 74 32.810 8.188 12.337 1.00 0.00 H new ATOM 0 HB2 ASP A 74 32.187 11.082 12.734 1.00 0.00 H new ATOM 0 HB3 ASP A 74 33.713 10.484 13.353 1.00 0.00 H new ATOM 1194 N GLY A 75 31.475 8.070 15.038 1.00 0.00 N ATOM 1195 CA GLY A 75 31.576 7.662 16.451 1.00 0.00 C ATOM 1196 C GLY A 75 32.123 6.225 16.575 1.00 0.00 C ATOM 1197 O GLY A 75 33.323 6.034 16.511 1.00 0.00 O ATOM 0 H GLY A 75 30.547 7.931 14.637 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.230 8.351 16.986 1.00 0.00 H new ATOM 0 HA3 GLY A 75 30.595 7.723 16.922 1.00 0.00 H new ATOM 1201 N THR A 76 31.232 5.289 16.746 1.00 0.00 N ATOM 1202 CA THR A 76 31.684 3.926 16.865 1.00 0.00 C ATOM 1203 C THR A 76 30.712 2.930 16.219 1.00 0.00 C ATOM 1204 O THR A 76 31.225 2.004 15.599 1.00 0.00 O ATOM 1205 CB THR A 76 31.983 3.570 18.333 1.00 0.00 C ATOM 1206 OG1 THR A 76 33.260 3.022 18.380 1.00 0.00 O ATOM 1207 CG2 THR A 76 31.064 2.471 18.841 1.00 0.00 C ATOM 0 H THR A 76 30.224 5.432 16.805 1.00 0.00 H new ATOM 0 HA THR A 76 32.617 3.845 16.308 1.00 0.00 H new ATOM 0 HB THR A 76 31.861 4.474 18.930 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.481 2.786 19.305 1.00 0.00 H new ATOM 0 HG21 THR A 76 31.305 2.247 19.880 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.028 2.802 18.772 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.199 1.575 18.236 1.00 0.00 H new ATOM 1215 N GLU A 77 29.401 3.131 16.366 1.00 0.00 N ATOM 1216 CA GLU A 77 28.514 2.123 15.726 1.00 0.00 C ATOM 1217 C GLU A 77 27.060 2.525 15.642 1.00 0.00 C ATOM 1218 O GLU A 77 26.623 3.652 15.759 1.00 0.00 O ATOM 1219 CB GLU A 77 28.607 0.823 16.568 1.00 0.00 C ATOM 1220 CG GLU A 77 29.223 -0.337 15.788 1.00 0.00 C ATOM 1221 CD GLU A 77 30.666 -0.618 16.070 1.00 0.00 C ATOM 1222 OE1 GLU A 77 31.284 -0.329 17.044 1.00 0.00 O ATOM 1223 OE2 GLU A 77 31.265 -1.265 15.089 1.00 0.00 O ATOM 0 H GLU A 77 28.951 3.897 16.867 1.00 0.00 H new ATOM 0 HA GLU A 77 28.857 2.004 14.698 1.00 0.00 H new ATOM 0 HB2 GLU A 77 29.203 1.014 17.460 1.00 0.00 H new ATOM 0 HB3 GLU A 77 27.610 0.541 16.906 1.00 0.00 H new ATOM 0 HG2 GLU A 77 28.648 -1.239 16.000 1.00 0.00 H new ATOM 0 HG3 GLU A 77 29.113 -0.133 14.723 1.00 0.00 H new ATOM 1230 N LEU A 78 26.217 1.521 15.418 1.00 0.00 N ATOM 1231 CA LEU A 78 24.772 1.591 15.329 1.00 0.00 C ATOM 1232 C LEU A 78 24.285 0.275 14.661 1.00 0.00 C ATOM 1233 O LEU A 78 23.787 0.197 13.537 1.00 0.00 O ATOM 1234 CB LEU A 78 24.264 2.769 14.477 1.00 0.00 C ATOM 1235 CG LEU A 78 23.561 3.865 15.304 1.00 0.00 C ATOM 1236 CD1 LEU A 78 22.965 4.854 14.290 1.00 0.00 C ATOM 1237 CD2 LEU A 78 22.361 3.327 16.042 1.00 0.00 C ATOM 0 H LEU A 78 26.557 0.569 15.285 1.00 0.00 H new ATOM 0 HA LEU A 78 24.385 1.733 16.338 1.00 0.00 H new ATOM 0 HB2 LEU A 78 25.105 3.211 13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 78 23.571 2.392 13.725 1.00 0.00 H new ATOM 0 HG LEU A 78 24.283 4.285 16.005 1.00 0.00 H new ATOM 0 HD11 LEU A 78 22.452 5.656 14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 78 23.764 5.276 13.680 1.00 0.00 H new ATOM 0 HD13 LEU A 78 22.255 4.333 13.648 1.00 0.00 H new ATOM 0 HD21 LEU A 78 21.894 4.130 16.612 1.00 0.00 H new ATOM 0 HD22 LEU A 78 21.643 2.926 15.326 1.00 0.00 H new ATOM 0 HD23 LEU A 78 22.677 2.536 16.722 1.00 0.00 H new ATOM 1249 N THR A 79 24.483 -0.749 15.455 1.00 0.00 N ATOM 1250 CA THR A 79 24.150 -2.142 15.145 1.00 0.00 C ATOM 1251 C THR A 79 22.738 -2.487 15.643 1.00 0.00 C ATOM 1252 O THR A 79 22.504 -3.009 16.735 1.00 0.00 O ATOM 1253 CB THR A 79 25.039 -3.273 15.750 1.00 0.00 C ATOM 1254 OG1 THR A 79 24.551 -4.504 15.303 1.00 0.00 O ATOM 1255 CG2 THR A 79 25.249 -3.174 17.270 1.00 0.00 C ATOM 0 H THR A 79 24.899 -0.642 16.380 1.00 0.00 H new ATOM 0 HA THR A 79 24.293 -2.144 14.064 1.00 0.00 H new ATOM 0 HB THR A 79 26.059 -3.153 15.384 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.099 -5.227 15.673 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.878 -3.999 17.605 1.00 0.00 H new ATOM 0 HG22 THR A 79 25.734 -2.228 17.509 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.284 -3.225 17.775 1.00 0.00 H new ATOM 1263 N GLY A 80 21.791 -2.172 14.794 1.00 0.00 N ATOM 1264 CA GLY A 80 20.400 -2.444 15.130 1.00 0.00 C ATOM 1265 C GLY A 80 19.650 -2.627 13.814 1.00 0.00 C ATOM 1266 O GLY A 80 20.159 -2.952 12.752 1.00 0.00 O ATOM 0 H GLY A 80 21.943 -1.737 13.884 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.320 -3.339 15.747 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.974 -1.622 15.705 1.00 0.00 H new ATOM 1270 N THR A 81 18.363 -2.395 13.937 1.00 0.00 N ATOM 1271 CA THR A 81 17.463 -2.517 12.782 1.00 0.00 C ATOM 1272 C THR A 81 16.342 -1.515 12.784 1.00 0.00 C ATOM 1273 O THR A 81 15.266 -1.547 13.354 1.00 0.00 O ATOM 1274 CB THR A 81 16.824 -3.921 12.764 1.00 0.00 C ATOM 1275 OG1 THR A 81 15.409 -3.928 12.684 1.00 0.00 O ATOM 1276 CG2 THR A 81 17.348 -4.771 13.935 1.00 0.00 C ATOM 0 H THR A 81 17.907 -2.123 14.808 1.00 0.00 H new ATOM 0 HA THR A 81 18.083 -2.335 11.904 1.00 0.00 H new ATOM 0 HB THR A 81 17.142 -4.382 11.829 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.044 -3.253 13.294 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.885 -5.757 13.904 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.430 -4.875 13.853 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.101 -4.283 14.878 1.00 0.00 H new ATOM 1284 N TRP A 82 16.631 -0.453 12.049 1.00 0.00 N ATOM 1285 CA TRP A 82 15.724 0.647 11.896 1.00 0.00 C ATOM 1286 C TRP A 82 14.554 -0.021 11.120 1.00 0.00 C ATOM 1287 O TRP A 82 14.821 -0.451 9.993 1.00 0.00 O ATOM 1288 CB TRP A 82 16.101 1.811 10.979 1.00 0.00 C ATOM 1289 CG TRP A 82 17.496 2.189 10.739 1.00 0.00 C ATOM 1290 CD1 TRP A 82 18.642 1.507 10.674 1.00 0.00 C ATOM 1291 CD2 TRP A 82 17.910 3.538 10.493 1.00 0.00 C ATOM 1292 NE1 TRP A 82 19.704 2.344 10.417 1.00 0.00 N ATOM 1293 CE2 TRP A 82 19.322 3.648 10.289 1.00 0.00 C ATOM 1294 CE3 TRP A 82 17.243 4.773 10.404 1.00 0.00 C ATOM 1295 CZ2 TRP A 82 20.003 4.820 10.035 1.00 0.00 C ATOM 1296 CZ3 TRP A 82 17.879 5.952 10.154 1.00 0.00 C ATOM 1297 CH2 TRP A 82 19.246 5.966 9.974 1.00 0.00 C ATOM 0 H TRP A 82 17.510 -0.340 11.543 1.00 0.00 H new ATOM 0 HA TRP A 82 15.598 1.082 12.887 1.00 0.00 H new ATOM 0 HB2 TRP A 82 15.660 1.599 10.005 1.00 0.00 H new ATOM 0 HB3 TRP A 82 15.598 2.695 11.371 1.00 0.00 H new ATOM 0 HD1 TRP A 82 18.725 0.438 10.806 1.00 0.00 H new ATOM 0 HE1 TRP A 82 20.669 2.025 10.332 1.00 0.00 H new ATOM 0 HE3 TRP A 82 16.172 4.788 10.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 21.073 4.837 9.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 17.315 6.871 10.097 1.00 0.00 H new ATOM 0 HH2 TRP A 82 19.738 6.907 9.779 1.00 0.00 H new ATOM 1308 N THR A 83 13.364 -0.104 11.661 1.00 0.00 N ATOM 1309 CA THR A 83 12.286 -0.744 10.884 1.00 0.00 C ATOM 1310 C THR A 83 10.981 -0.040 11.137 1.00 0.00 C ATOM 1311 O THR A 83 10.286 -0.197 12.128 1.00 0.00 O ATOM 1312 CB THR A 83 12.095 -2.211 11.238 1.00 0.00 C ATOM 1313 OG1 THR A 83 13.135 -2.598 12.101 1.00 0.00 O ATOM 1314 CG2 THR A 83 12.031 -3.197 10.059 1.00 0.00 C ATOM 0 H THR A 83 13.106 0.238 12.587 1.00 0.00 H new ATOM 0 HA THR A 83 12.582 -0.674 9.837 1.00 0.00 H new ATOM 0 HB THR A 83 11.109 -2.269 11.699 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.776 -3.155 11.612 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.893 -4.209 10.438 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.195 -2.935 9.411 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.960 -3.146 9.491 1.00 0.00 H new ATOM 1322 N MET A 84 10.610 0.799 10.178 1.00 0.00 N ATOM 1323 CA MET A 84 9.369 1.519 10.360 1.00 0.00 C ATOM 1324 C MET A 84 8.263 0.496 10.382 1.00 0.00 C ATOM 1325 O MET A 84 8.449 -0.705 10.278 1.00 0.00 O ATOM 1326 CB MET A 84 9.334 2.443 9.117 1.00 0.00 C ATOM 1327 CG MET A 84 8.805 1.764 7.853 1.00 0.00 C ATOM 1328 SD MET A 84 8.030 2.856 6.619 1.00 0.00 S ATOM 1329 CE MET A 84 9.433 3.532 5.749 1.00 0.00 C ATOM 0 H MET A 84 11.120 0.988 9.315 1.00 0.00 H new ATOM 0 HA MET A 84 9.267 2.101 11.276 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.712 3.310 9.339 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.341 2.814 8.924 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.632 1.239 7.375 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.076 1.009 8.149 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.099 4.328 5.084 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.147 3.935 6.467 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.911 2.747 5.164 1.00 0.00 H new ATOM 1339 N GLU A 85 7.049 1.010 10.504 1.00 0.00 N ATOM 1340 CA GLU A 85 5.898 0.120 10.516 1.00 0.00 C ATOM 1341 C GLU A 85 4.888 0.729 9.617 1.00 0.00 C ATOM 1342 O GLU A 85 3.738 0.256 9.591 1.00 0.00 O ATOM 1343 CB GLU A 85 5.327 0.147 11.955 1.00 0.00 C ATOM 1344 CG GLU A 85 4.792 -1.220 12.354 1.00 0.00 C ATOM 1345 CD GLU A 85 3.334 -1.355 12.690 1.00 0.00 C ATOM 1346 OE1 GLU A 85 2.561 -0.415 12.690 1.00 0.00 O ATOM 1347 OE2 GLU A 85 2.990 -2.576 12.981 1.00 0.00 O ATOM 0 H GLU A 85 6.838 2.004 10.593 1.00 0.00 H new ATOM 0 HA GLU A 85 6.151 -0.895 10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.105 0.455 12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.529 0.887 12.020 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.008 -1.910 11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.363 -1.559 13.218 1.00 0.00 H new ATOM 1354 N GLY A 86 5.221 1.755 8.866 1.00 0.00 N ATOM 1355 CA GLY A 86 4.281 2.402 7.971 1.00 0.00 C ATOM 1356 C GLY A 86 3.979 3.644 8.782 1.00 0.00 C ATOM 1357 O GLY A 86 4.074 4.758 8.310 1.00 0.00 O ATOM 0 H GLY A 86 6.154 2.167 8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.718 2.632 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.394 1.796 7.786 1.00 0.00 H new ATOM 1361 N ASN A 87 3.610 3.440 10.033 1.00 0.00 N ATOM 1362 CA ASN A 87 3.306 4.557 10.896 1.00 0.00 C ATOM 1363 C ASN A 87 4.539 5.396 11.256 1.00 0.00 C ATOM 1364 O ASN A 87 4.421 6.603 11.211 1.00 0.00 O ATOM 1365 CB ASN A 87 2.228 4.381 11.935 1.00 0.00 C ATOM 1366 CG ASN A 87 2.484 3.058 12.600 1.00 0.00 C ATOM 1367 OD1 ASN A 87 3.274 2.898 13.534 1.00 0.00 O ATOM 1368 ND2 ASN A 87 1.789 2.059 12.102 1.00 0.00 N ATOM 0 H ASN A 87 3.515 2.522 10.467 1.00 0.00 H new ATOM 0 HA ASN A 87 2.724 5.225 10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.255 5.192 12.663 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.240 4.399 11.475 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.896 1.121 12.488 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.143 2.222 11.329 1.00 0.00 H new ATOM 1375 N LYS A 88 5.637 4.760 11.588 1.00 0.00 N ATOM 1376 CA LYS A 88 6.823 5.461 11.923 1.00 0.00 C ATOM 1377 C LYS A 88 8.040 4.539 11.744 1.00 0.00 C ATOM 1378 O LYS A 88 7.873 3.399 12.078 1.00 0.00 O ATOM 1379 CB LYS A 88 7.031 5.777 13.392 1.00 0.00 C ATOM 1380 CG LYS A 88 6.933 4.644 14.386 1.00 0.00 C ATOM 1381 CD LYS A 88 6.284 5.246 15.625 1.00 0.00 C ATOM 1382 CE LYS A 88 4.784 5.296 15.426 1.00 0.00 C ATOM 1383 NZ LYS A 88 4.018 4.547 16.431 1.00 0.00 N ATOM 0 H LYS A 88 5.719 3.744 11.629 1.00 0.00 H new ATOM 0 HA LYS A 88 6.730 6.353 11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.017 6.230 13.499 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.300 6.534 13.677 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.335 3.824 13.989 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.918 4.238 14.617 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.527 4.649 16.504 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.673 6.248 15.803 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.461 6.337 15.441 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.547 4.903 14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.002 4.630 16.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.296 3.545 16.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.213 4.935 17.376 1.00 0.00 H new ATOM 1397 N LEU A 89 9.095 5.162 11.276 1.00 0.00 N ATOM 1398 CA LEU A 89 10.368 4.488 11.127 1.00 0.00 C ATOM 1399 C LEU A 89 10.794 4.141 12.568 1.00 0.00 C ATOM 1400 O LEU A 89 9.997 4.123 13.498 1.00 0.00 O ATOM 1401 CB LEU A 89 11.369 5.511 10.510 1.00 0.00 C ATOM 1402 CG LEU A 89 12.151 5.088 9.274 1.00 0.00 C ATOM 1403 CD1 LEU A 89 13.440 5.896 9.123 1.00 0.00 C ATOM 1404 CD2 LEU A 89 12.548 3.611 9.338 1.00 0.00 C ATOM 0 H LEU A 89 9.099 6.141 10.989 1.00 0.00 H new ATOM 0 HA LEU A 89 10.329 3.602 10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.812 6.414 10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.088 5.783 11.283 1.00 0.00 H new ATOM 0 HG LEU A 89 11.490 5.266 8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.973 5.568 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.197 6.955 9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.070 5.743 9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.104 3.345 8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.172 3.440 10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.651 2.996 9.405 1.00 0.00 H new ATOM 1416 N VAL A 90 12.086 3.856 12.768 1.00 0.00 N ATOM 1417 CA VAL A 90 12.572 3.583 14.082 1.00 0.00 C ATOM 1418 C VAL A 90 14.026 3.970 14.269 1.00 0.00 C ATOM 1419 O VAL A 90 14.402 4.119 15.450 1.00 0.00 O ATOM 1420 CB VAL A 90 12.408 2.091 14.483 1.00 0.00 C ATOM 1421 CG1 VAL A 90 12.438 1.991 16.001 1.00 0.00 C ATOM 1422 CG2 VAL A 90 11.051 1.606 14.053 1.00 0.00 C ATOM 0 H VAL A 90 12.790 3.814 12.031 1.00 0.00 H new ATOM 0 HA VAL A 90 11.954 4.202 14.732 1.00 0.00 H new ATOM 0 HB VAL A 90 13.202 1.506 14.019 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.324 0.949 16.299 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.389 2.373 16.372 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.622 2.580 16.421 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.933 0.559 14.333 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.280 2.202 14.542 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.955 1.705 12.972 1.00 0.00 H new ATOM 1432 N GLY A 91 14.854 4.129 13.243 1.00 0.00 N ATOM 1433 CA GLY A 91 16.209 4.448 13.473 1.00 0.00 C ATOM 1434 C GLY A 91 17.023 3.235 13.952 1.00 0.00 C ATOM 1435 O GLY A 91 17.992 2.856 13.303 1.00 0.00 O ATOM 0 H GLY A 91 14.590 4.038 12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.649 4.838 12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 91 16.271 5.241 14.218 1.00 0.00 H new ATOM 1439 N LYS A 92 16.556 2.752 15.057 1.00 0.00 N ATOM 1440 CA LYS A 92 17.135 1.638 15.781 1.00 0.00 C ATOM 1441 C LYS A 92 18.605 1.884 16.014 1.00 0.00 C ATOM 1442 O LYS A 92 19.178 2.857 15.572 1.00 0.00 O ATOM 1443 CB LYS A 92 16.815 0.263 15.289 1.00 0.00 C ATOM 1444 CG LYS A 92 15.386 -0.034 15.771 1.00 0.00 C ATOM 1445 CD LYS A 92 15.197 0.180 17.272 1.00 0.00 C ATOM 1446 CE LYS A 92 14.352 -0.930 17.839 1.00 0.00 C ATOM 1447 NZ LYS A 92 15.199 -2.092 18.139 1.00 0.00 N ATOM 0 H LYS A 92 15.724 3.131 15.510 1.00 0.00 H new ATOM 0 HA LYS A 92 16.621 1.621 16.742 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.879 0.212 14.202 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.521 -0.468 15.685 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.688 0.604 15.229 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.134 -1.065 15.524 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.166 0.204 17.771 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.720 1.143 17.455 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.849 -0.591 18.745 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.575 -1.208 17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.613 -2.857 18.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.659 -2.421 17.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.925 -1.822 18.833 1.00 0.00 H new ATOM 1461 N PHE A 93 19.112 0.933 16.775 1.00 0.00 N ATOM 1462 CA PHE A 93 20.498 1.054 17.218 1.00 0.00 C ATOM 1463 C PHE A 93 20.920 -0.010 18.223 1.00 0.00 C ATOM 1464 O PHE A 93 20.331 -1.084 18.293 1.00 0.00 O ATOM 1465 CB PHE A 93 20.253 2.269 18.190 1.00 0.00 C ATOM 1466 CG PHE A 93 19.149 1.775 19.136 1.00 0.00 C ATOM 1467 CD1 PHE A 93 19.364 0.907 20.189 1.00 0.00 C ATOM 1468 CD2 PHE A 93 17.814 2.118 18.913 1.00 0.00 C ATOM 1469 CE1 PHE A 93 18.405 0.352 21.008 1.00 0.00 C ATOM 1470 CE2 PHE A 93 16.814 1.590 19.711 1.00 0.00 C ATOM 1471 CZ PHE A 93 17.097 0.691 20.774 1.00 0.00 C ATOM 0 H PHE A 93 18.615 0.100 17.091 1.00 0.00 H new ATOM 0 HA PHE A 93 21.204 1.063 16.388 1.00 0.00 H new ATOM 0 HB2 PHE A 93 21.159 2.531 18.737 1.00 0.00 H new ATOM 0 HB3 PHE A 93 19.941 3.160 17.644 1.00 0.00 H new ATOM 0 HD1 PHE A 93 20.390 0.635 20.391 1.00 0.00 H new ATOM 0 HD2 PHE A 93 17.560 2.799 18.114 1.00 0.00 H new ATOM 0 HE1 PHE A 93 18.674 -0.325 21.805 1.00 0.00 H new ATOM 0 HE2 PHE A 93 15.788 1.870 19.520 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.302 0.285 21.382 1.00 0.00 H new ATOM 1481 N LYS A 94 21.889 0.515 18.930 1.00 0.00 N ATOM 1482 CA LYS A 94 22.639 0.056 20.092 1.00 0.00 C ATOM 1483 C LYS A 94 24.074 0.200 19.660 1.00 0.00 C ATOM 1484 O LYS A 94 24.813 -0.774 19.554 1.00 0.00 O ATOM 1485 CB LYS A 94 22.382 -1.355 20.498 1.00 0.00 C ATOM 1486 CG LYS A 94 21.247 -1.236 21.464 1.00 0.00 C ATOM 1487 CD LYS A 94 21.105 -2.319 22.496 1.00 0.00 C ATOM 1488 CE LYS A 94 19.763 -2.989 22.481 1.00 0.00 C ATOM 1489 NZ LYS A 94 19.927 -4.347 23.024 1.00 0.00 N ATOM 0 H LYS A 94 22.233 1.436 18.659 1.00 0.00 H new ATOM 0 HA LYS A 94 22.351 0.635 20.969 1.00 0.00 H new ATOM 0 HB2 LYS A 94 22.118 -1.978 19.643 1.00 0.00 H new ATOM 0 HB3 LYS A 94 23.259 -1.806 20.962 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.346 -0.284 21.985 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.320 -1.191 20.892 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.878 -3.069 22.332 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.278 -1.893 23.484 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.048 -2.423 23.078 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.369 -3.030 21.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.008 -4.834 23.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.600 -4.878 22.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.289 -4.290 23.997 1.00 0.00 H new ATOM 1503 N ARG A 95 24.380 1.446 19.400 1.00 0.00 N ATOM 1504 CA ARG A 95 25.681 1.757 18.906 1.00 0.00 C ATOM 1505 C ARG A 95 26.767 1.420 19.912 1.00 0.00 C ATOM 1506 O ARG A 95 27.029 2.264 20.723 1.00 0.00 O ATOM 1507 CB ARG A 95 25.819 3.226 18.456 1.00 0.00 C ATOM 1508 CG ARG A 95 25.452 4.252 19.487 1.00 0.00 C ATOM 1509 CD ARG A 95 23.941 4.529 19.426 1.00 0.00 C ATOM 1510 NE ARG A 95 23.522 5.904 19.539 1.00 0.00 N ATOM 1511 CZ ARG A 95 24.096 6.933 20.171 1.00 0.00 C ATOM 1512 NH1 ARG A 95 25.248 6.872 20.870 1.00 0.00 N ATOM 1513 NH2 ARG A 95 23.546 8.161 20.197 1.00 0.00 N ATOM 0 H ARG A 95 23.754 2.242 19.522 1.00 0.00 H new ATOM 0 HA ARG A 95 25.813 1.128 18.025 1.00 0.00 H new ATOM 0 HB2 ARG A 95 26.850 3.398 18.147 1.00 0.00 H new ATOM 0 HB3 ARG A 95 25.193 3.379 17.577 1.00 0.00 H new ATOM 0 HG2 ARG A 95 25.727 3.898 20.481 1.00 0.00 H new ATOM 0 HG3 ARG A 95 26.008 5.173 19.312 1.00 0.00 H new ATOM 0 HD2 ARG A 95 23.563 4.136 18.482 1.00 0.00 H new ATOM 0 HD3 ARG A 95 23.460 3.962 20.223 1.00 0.00 H new ATOM 0 HE ARG A 95 22.649 6.127 19.061 1.00 0.00 H new ATOM 0 HH11 ARG A 95 25.752 5.989 20.946 1.00 0.00 H new ATOM 0 HH12 ARG A 95 25.615 7.709 21.322 1.00 0.00 H new ATOM 0 HH21 ARG A 95 22.659 8.333 19.723 1.00 0.00 H new ATOM 0 HH22 ARG A 95 24.016 8.920 20.691 1.00 0.00 H new ATOM 1527 N VAL A 96 27.302 0.259 19.783 1.00 0.00 N ATOM 1528 CA VAL A 96 28.394 -0.268 20.539 1.00 0.00 C ATOM 1529 C VAL A 96 29.066 0.682 21.505 1.00 0.00 C ATOM 1530 O VAL A 96 29.341 0.212 22.619 1.00 0.00 O ATOM 1531 CB VAL A 96 29.445 -0.738 19.528 1.00 0.00 C ATOM 1532 CG1 VAL A 96 30.546 -1.467 20.307 1.00 0.00 C ATOM 1533 CG2 VAL A 96 28.809 -1.595 18.447 1.00 0.00 C ATOM 0 H VAL A 96 26.962 -0.407 19.089 1.00 0.00 H new ATOM 0 HA VAL A 96 27.976 -1.055 21.167 1.00 0.00 H new ATOM 0 HB VAL A 96 29.890 0.107 19.002 1.00 0.00 H new ATOM 0 HG11 VAL A 96 31.312 -1.815 19.614 1.00 0.00 H new ATOM 0 HG12 VAL A 96 30.993 -0.784 21.030 1.00 0.00 H new ATOM 0 HG13 VAL A 96 30.116 -2.320 20.832 1.00 0.00 H new ATOM 0 HG21 VAL A 96 29.574 -1.917 17.741 1.00 0.00 H new ATOM 0 HG22 VAL A 96 28.344 -2.470 18.902 1.00 0.00 H new ATOM 0 HG23 VAL A 96 28.051 -1.014 17.921 1.00 0.00 H new ATOM 1543 N ASP A 97 29.316 1.948 21.133 1.00 0.00 N ATOM 1544 CA ASP A 97 29.915 2.940 22.081 1.00 0.00 C ATOM 1545 C ASP A 97 29.342 2.720 23.482 1.00 0.00 C ATOM 1546 O ASP A 97 30.036 2.867 24.502 1.00 0.00 O ATOM 1547 CB ASP A 97 29.716 4.407 21.726 1.00 0.00 C ATOM 1548 CG ASP A 97 30.285 5.359 22.776 1.00 0.00 C ATOM 1549 OD1 ASP A 97 31.544 5.603 22.648 1.00 0.00 O ATOM 1550 OD2 ASP A 97 29.586 5.847 23.666 1.00 0.00 O ATOM 0 H ASP A 97 29.122 2.318 20.202 1.00 0.00 H new ATOM 0 HA ASP A 97 30.987 2.754 22.022 1.00 0.00 H new ATOM 0 HB2 ASP A 97 30.190 4.610 20.765 1.00 0.00 H new ATOM 0 HB3 ASP A 97 28.651 4.604 21.604 1.00 0.00 H new ATOM 1555 N ASN A 98 28.086 2.347 23.442 1.00 0.00 N ATOM 1556 CA ASN A 98 27.266 2.051 24.584 1.00 0.00 C ATOM 1557 C ASN A 98 25.883 1.537 24.336 1.00 0.00 C ATOM 1558 O ASN A 98 25.011 1.698 25.202 1.00 0.00 O ATOM 1559 CB ASN A 98 27.272 3.362 25.457 1.00 0.00 C ATOM 1560 CG ASN A 98 26.541 3.347 26.767 1.00 0.00 C ATOM 1561 OD1 ASN A 98 25.308 3.747 26.839 1.00 0.00 O flip ATOM 1562 ND2 ASN A 98 27.132 2.926 27.823 1.00 0.00 N flip ATOM 0 H ASN A 98 27.584 2.237 22.561 1.00 0.00 H new ATOM 0 HA ASN A 98 27.700 1.188 25.089 1.00 0.00 H new ATOM 0 HB2 ASN A 98 28.311 3.622 25.659 1.00 0.00 H new ATOM 0 HB3 ASN A 98 26.854 4.166 24.852 1.00 0.00 H new ATOM 0 HD21 ASN A 98 28.101 2.610 27.774 1.00 0.00 H new ATOM 0 HD22 ASN A 98 26.634 2.907 28.713 1.00 0.00 H new ATOM 1569 N GLY A 99 25.649 0.923 23.161 1.00 0.00 N ATOM 1570 CA GLY A 99 24.299 0.443 22.905 1.00 0.00 C ATOM 1571 C GLY A 99 23.271 1.601 22.940 1.00 0.00 C ATOM 1572 O GLY A 99 22.241 1.403 23.584 1.00 0.00 O ATOM 0 H GLY A 99 26.334 0.759 22.423 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.264 -0.047 21.932 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.030 -0.306 23.649 1.00 0.00 H new ATOM 1576 N LYS A 100 23.548 2.756 22.283 1.00 0.00 N ATOM 1577 CA LYS A 100 22.554 3.801 22.385 1.00 0.00 C ATOM 1578 C LYS A 100 21.284 3.657 21.506 1.00 0.00 C ATOM 1579 O LYS A 100 21.256 2.693 20.794 1.00 0.00 O ATOM 1580 CB LYS A 100 23.093 5.192 22.211 1.00 0.00 C ATOM 1581 CG LYS A 100 23.622 5.814 23.510 1.00 0.00 C ATOM 1582 CD LYS A 100 25.063 5.296 23.576 1.00 0.00 C ATOM 1583 CE LYS A 100 26.187 6.295 23.751 1.00 0.00 C ATOM 1584 NZ LYS A 100 26.329 6.762 25.117 1.00 0.00 N ATOM 0 H LYS A 100 24.380 2.960 21.729 1.00 0.00 H new ATOM 0 HA LYS A 100 22.242 3.649 23.418 1.00 0.00 H new ATOM 0 HB2 LYS A 100 23.896 5.172 21.475 1.00 0.00 H new ATOM 0 HB3 LYS A 100 22.306 5.829 21.807 1.00 0.00 H new ATOM 0 HG2 LYS A 100 23.585 6.903 23.481 1.00 0.00 H new ATOM 0 HG3 LYS A 100 23.039 5.499 24.375 1.00 0.00 H new ATOM 0 HD2 LYS A 100 25.121 4.585 24.400 1.00 0.00 H new ATOM 0 HD3 LYS A 100 25.256 4.738 22.660 1.00 0.00 H new ATOM 0 HE2 LYS A 100 27.123 5.838 23.431 1.00 0.00 H new ATOM 0 HE3 LYS A 100 26.010 7.150 23.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 27.302 7.095 25.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 25.665 7.544 25.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 26.122 5.983 25.774 1.00 0.00 H new ATOM 1598 N GLU A 101 20.373 4.617 21.633 1.00 0.00 N ATOM 1599 CA GLU A 101 19.186 4.511 20.801 1.00 0.00 C ATOM 1600 C GLU A 101 18.792 5.766 20.000 1.00 0.00 C ATOM 1601 O GLU A 101 17.726 6.253 20.223 1.00 0.00 O ATOM 1602 CB GLU A 101 18.055 3.826 21.536 1.00 0.00 C ATOM 1603 CG GLU A 101 18.543 2.731 22.523 1.00 0.00 C ATOM 1604 CD GLU A 101 18.990 3.254 23.870 1.00 0.00 C ATOM 1605 OE1 GLU A 101 18.454 4.210 24.428 1.00 0.00 O ATOM 1606 OE2 GLU A 101 19.987 2.619 24.395 1.00 0.00 O ATOM 0 H GLU A 101 20.424 5.422 22.257 1.00 0.00 H new ATOM 0 HA GLU A 101 19.470 3.849 19.983 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.482 4.573 22.086 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.378 3.376 20.810 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.738 2.012 22.676 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.371 2.190 22.065 1.00 0.00 H new ATOM 1613 N LEU A 102 19.738 6.052 19.148 1.00 0.00 N ATOM 1614 CA LEU A 102 19.600 7.159 18.234 1.00 0.00 C ATOM 1615 C LEU A 102 18.165 6.988 17.772 1.00 0.00 C ATOM 1616 O LEU A 102 17.463 7.905 18.080 1.00 0.00 O ATOM 1617 CB LEU A 102 20.499 6.899 16.984 1.00 0.00 C ATOM 1618 CG LEU A 102 21.811 7.627 17.208 1.00 0.00 C ATOM 1619 CD1 LEU A 102 23.041 6.844 16.852 1.00 0.00 C ATOM 1620 CD2 LEU A 102 21.688 8.898 16.372 1.00 0.00 C ATOM 0 H LEU A 102 20.614 5.536 19.065 1.00 0.00 H new ATOM 0 HA LEU A 102 19.853 8.126 18.669 1.00 0.00 H new ATOM 0 HB2 LEU A 102 20.671 5.831 16.851 1.00 0.00 H new ATOM 0 HB3 LEU A 102 20.010 7.259 16.079 1.00 0.00 H new ATOM 0 HG LEU A 102 21.955 7.819 18.271 1.00 0.00 H new ATOM 0 HD11 LEU A 102 23.927 7.449 17.047 1.00 0.00 H new ATOM 0 HD12 LEU A 102 23.082 5.936 17.454 1.00 0.00 H new ATOM 0 HD13 LEU A 102 23.009 6.577 15.796 1.00 0.00 H new ATOM 0 HD21 LEU A 102 22.597 9.490 16.474 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.544 8.632 15.325 1.00 0.00 H new ATOM 0 HD23 LEU A 102 20.835 9.481 16.719 1.00 0.00 H new ATOM 1632 N ILE A 103 17.903 5.869 17.153 1.00 0.00 N ATOM 1633 CA ILE A 103 16.483 5.652 16.807 1.00 0.00 C ATOM 1634 C ILE A 103 16.015 6.757 15.895 1.00 0.00 C ATOM 1635 O ILE A 103 14.940 7.329 15.933 1.00 0.00 O ATOM 1636 CB ILE A 103 15.762 5.798 18.169 1.00 0.00 C ATOM 1637 CG1 ILE A 103 15.762 4.480 18.872 1.00 0.00 C ATOM 1638 CG2 ILE A 103 14.302 6.230 18.033 1.00 0.00 C ATOM 1639 CD1 ILE A 103 14.933 3.437 18.122 1.00 0.00 C ATOM 0 H ILE A 103 18.567 5.141 16.888 1.00 0.00 H new ATOM 0 HA ILE A 103 16.302 4.699 16.309 1.00 0.00 H new ATOM 0 HB ILE A 103 16.304 6.566 18.721 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.787 4.124 18.976 1.00 0.00 H new ATOM 0 HG13 ILE A 103 15.364 4.605 19.879 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.854 6.314 19.023 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.254 7.196 17.530 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.756 5.489 17.449 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.958 2.493 18.666 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.902 3.781 18.041 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.347 3.292 17.124 1.00 0.00 H new ATOM 1651 N ALA A 104 16.894 7.124 14.953 1.00 0.00 N ATOM 1652 CA ALA A 104 16.566 8.123 13.936 1.00 0.00 C ATOM 1653 C ALA A 104 15.393 7.473 13.205 1.00 0.00 C ATOM 1654 O ALA A 104 15.645 6.833 12.203 1.00 0.00 O ATOM 1655 CB ALA A 104 17.672 8.382 12.931 1.00 0.00 C ATOM 0 H ALA A 104 17.837 6.742 14.877 1.00 0.00 H new ATOM 0 HA ALA A 104 16.374 9.092 14.397 1.00 0.00 H new ATOM 0 HB1 ALA A 104 17.344 9.135 12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 104 18.560 8.739 13.452 1.00 0.00 H new ATOM 0 HB3 ALA A 104 17.908 7.458 12.403 1.00 0.00 H new ATOM 1661 N VAL A 105 14.238 7.678 13.756 1.00 0.00 N ATOM 1662 CA VAL A 105 12.962 7.162 13.274 1.00 0.00 C ATOM 1663 C VAL A 105 12.678 8.026 12.037 1.00 0.00 C ATOM 1664 O VAL A 105 13.514 7.919 11.142 1.00 0.00 O ATOM 1665 CB VAL A 105 11.873 7.296 14.311 1.00 0.00 C ATOM 1666 CG1 VAL A 105 10.481 6.773 13.902 1.00 0.00 C ATOM 1667 CG2 VAL A 105 12.209 6.617 15.642 1.00 0.00 C ATOM 0 H VAL A 105 14.137 8.239 14.602 1.00 0.00 H new ATOM 0 HA VAL A 105 12.995 6.096 13.049 1.00 0.00 H new ATOM 0 HB VAL A 105 11.826 8.380 14.414 1.00 0.00 H new ATOM 0 HG11 VAL A 105 9.781 6.921 14.724 1.00 0.00 H new ATOM 0 HG12 VAL A 105 10.131 7.317 13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 105 10.546 5.710 13.668 1.00 0.00 H new ATOM 0 HG21 VAL A 105 11.382 6.754 16.339 1.00 0.00 H new ATOM 0 HG22 VAL A 105 12.372 5.552 15.476 1.00 0.00 H new ATOM 0 HG23 VAL A 105 13.113 7.061 16.059 1.00 0.00 H new ATOM 1677 N ARG A 106 11.622 8.799 12.024 1.00 0.00 N ATOM 1678 CA ARG A 106 11.198 9.681 10.966 1.00 0.00 C ATOM 1679 C ARG A 106 9.661 9.637 10.923 1.00 0.00 C ATOM 1680 O ARG A 106 9.174 10.389 10.114 1.00 0.00 O ATOM 1681 CB ARG A 106 11.625 9.375 9.588 1.00 0.00 C ATOM 1682 CG ARG A 106 12.424 10.546 9.070 1.00 0.00 C ATOM 1683 CD ARG A 106 13.882 10.357 8.797 1.00 0.00 C ATOM 1684 NE ARG A 106 14.551 11.609 9.156 1.00 0.00 N ATOM 1685 CZ ARG A 106 15.663 11.750 9.850 1.00 0.00 C ATOM 1686 NH1 ARG A 106 16.374 10.767 10.336 1.00 0.00 N ATOM 1687 NH2 ARG A 106 16.068 13.007 10.048 1.00 0.00 N ATOM 0 H ARG A 106 10.984 8.830 12.819 1.00 0.00 H new ATOM 0 HA ARG A 106 11.664 10.632 11.222 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.227 8.466 9.570 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.758 9.196 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.956 10.882 8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.325 11.358 9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.279 9.527 9.381 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.050 10.118 7.747 1.00 0.00 H new ATOM 0 HE ARG A 106 14.107 12.469 8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.078 9.802 10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.224 10.965 10.863 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.525 13.783 9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 106 16.921 13.191 10.577 1.00 0.00 H new ATOM 1701 N GLU A 107 9.144 8.772 11.736 1.00 0.00 N ATOM 1702 CA GLU A 107 7.726 8.590 11.981 1.00 0.00 C ATOM 1703 C GLU A 107 6.854 9.126 10.848 1.00 0.00 C ATOM 1704 O GLU A 107 6.126 8.361 10.248 1.00 0.00 O ATOM 1705 CB GLU A 107 7.528 9.579 13.182 1.00 0.00 C ATOM 1706 CG GLU A 107 7.437 8.845 14.526 1.00 0.00 C ATOM 1707 CD GLU A 107 6.141 8.960 15.351 1.00 0.00 C ATOM 1708 OE1 GLU A 107 5.057 9.212 14.859 1.00 0.00 O ATOM 1709 OE2 GLU A 107 6.329 8.758 16.645 1.00 0.00 O ATOM 0 H GLU A 107 9.721 8.133 12.283 1.00 0.00 H new ATOM 0 HA GLU A 107 7.461 7.542 12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.358 10.285 13.210 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.620 10.161 13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.614 7.786 14.336 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.258 9.198 15.151 1.00 0.00 H new ATOM 1716 N ILE A 108 7.018 10.429 10.670 1.00 0.00 N ATOM 1717 CA ILE A 108 6.352 11.243 9.672 1.00 0.00 C ATOM 1718 C ILE A 108 4.886 11.371 9.978 1.00 0.00 C ATOM 1719 O ILE A 108 4.232 10.342 10.178 1.00 0.00 O ATOM 1720 CB ILE A 108 6.590 10.577 8.305 1.00 0.00 C ATOM 1721 CG1 ILE A 108 6.588 11.763 7.347 1.00 0.00 C ATOM 1722 CG2 ILE A 108 5.469 9.674 7.840 1.00 0.00 C ATOM 1723 CD1 ILE A 108 7.086 11.381 5.985 1.00 0.00 C ATOM 0 H ILE A 108 7.655 10.973 11.252 1.00 0.00 H new ATOM 0 HA ILE A 108 6.755 12.256 9.668 1.00 0.00 H new ATOM 0 HB ILE A 108 7.489 9.962 8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.577 12.162 7.265 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.213 12.559 7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.723 9.249 6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.326 8.870 8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.549 10.252 7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.069 12.254 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.107 11.006 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.445 10.604 5.568 1.00 0.00 H new ATOM 1735 N SER A 109 4.386 12.587 10.028 1.00 0.00 N ATOM 1736 CA SER A 109 2.963 12.738 10.323 1.00 0.00 C ATOM 1737 C SER A 109 2.646 14.179 10.266 1.00 0.00 C ATOM 1738 O SER A 109 3.017 15.022 11.046 1.00 0.00 O ATOM 1739 CB SER A 109 2.685 12.195 11.713 1.00 0.00 C ATOM 1740 OG SER A 109 1.438 12.602 12.206 1.00 0.00 O ATOM 0 H SER A 109 4.906 13.451 9.878 1.00 0.00 H new ATOM 0 HA SER A 109 2.351 12.191 9.606 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.726 11.106 11.689 1.00 0.00 H new ATOM 0 HB3 SER A 109 3.468 12.528 12.394 1.00 0.00 H new ATOM 0 HG SER A 109 1.302 12.228 13.101 1.00 0.00 H new ATOM 1746 N GLY A 110 1.847 14.499 9.242 1.00 0.00 N ATOM 1747 CA GLY A 110 1.392 15.834 8.992 1.00 0.00 C ATOM 1748 C GLY A 110 2.516 16.703 8.492 1.00 0.00 C ATOM 1749 O GLY A 110 2.903 17.642 9.177 1.00 0.00 O ATOM 0 H GLY A 110 1.505 13.816 8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.587 15.816 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.979 16.258 9.907 1.00 0.00 H new ATOM 1753 N ASN A 111 2.998 16.361 7.313 1.00 0.00 N ATOM 1754 CA ASN A 111 4.083 17.096 6.691 1.00 0.00 C ATOM 1755 C ASN A 111 5.222 17.248 7.731 1.00 0.00 C ATOM 1756 O ASN A 111 5.647 18.334 8.045 1.00 0.00 O ATOM 1757 CB ASN A 111 3.746 18.407 5.971 1.00 0.00 C ATOM 1758 CG ASN A 111 2.426 18.312 5.194 1.00 0.00 C ATOM 1759 OD1 ASN A 111 1.622 19.273 5.219 1.00 0.00 O ATOM 1760 ND2 ASN A 111 2.164 17.224 4.517 1.00 0.00 N ATOM 0 H ASN A 111 2.653 15.574 6.764 1.00 0.00 H new ATOM 0 HA ASN A 111 4.398 16.493 5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.680 19.215 6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.553 18.662 5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.291 17.146 3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.833 16.454 4.511 1.00 0.00 H new ATOM 1767 N GLU A 112 5.670 16.086 8.231 1.00 0.00 N ATOM 1768 CA GLU A 112 6.719 16.033 9.208 1.00 0.00 C ATOM 1769 C GLU A 112 7.756 15.000 8.692 1.00 0.00 C ATOM 1770 O GLU A 112 7.738 14.677 7.524 1.00 0.00 O ATOM 1771 CB GLU A 112 6.159 15.447 10.551 1.00 0.00 C ATOM 1772 CG GLU A 112 6.196 16.423 11.735 1.00 0.00 C ATOM 1773 CD GLU A 112 5.972 17.910 11.494 1.00 0.00 C ATOM 1774 OE1 GLU A 112 5.176 18.330 10.691 1.00 0.00 O ATOM 1775 OE2 GLU A 112 6.728 18.660 12.252 1.00 0.00 O ATOM 0 H GLU A 112 5.305 15.173 7.959 1.00 0.00 H new ATOM 0 HA GLU A 112 7.136 17.028 9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.129 15.127 10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.732 14.557 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.445 16.093 12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.168 16.314 12.217 1.00 0.00 H new ATOM 1782 N LEU A 113 8.539 14.573 9.654 1.00 0.00 N ATOM 1783 CA LEU A 113 9.564 13.531 9.577 1.00 0.00 C ATOM 1784 C LEU A 113 9.818 13.243 11.078 1.00 0.00 C ATOM 1785 O LEU A 113 9.909 12.117 11.516 1.00 0.00 O ATOM 1786 CB LEU A 113 10.797 13.863 8.755 1.00 0.00 C ATOM 1787 CG LEU A 113 10.636 13.400 7.295 1.00 0.00 C ATOM 1788 CD1 LEU A 113 11.998 13.373 6.674 1.00 0.00 C ATOM 1789 CD2 LEU A 113 10.032 12.015 7.320 1.00 0.00 C ATOM 0 H LEU A 113 8.480 14.971 10.591 1.00 0.00 H new ATOM 0 HA LEU A 113 9.240 12.656 9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.975 14.938 8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.671 13.384 9.197 1.00 0.00 H new ATOM 0 HG LEU A 113 9.992 14.064 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.918 13.048 5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.434 14.371 6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.635 12.680 7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.904 11.655 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.693 11.339 7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.062 12.050 7.817 1.00 0.00 H new ATOM 1801 N ILE A 114 9.904 14.239 11.899 1.00 0.00 N ATOM 1802 CA ILE A 114 10.027 13.986 13.286 1.00 0.00 C ATOM 1803 C ILE A 114 11.184 13.108 13.668 1.00 0.00 C ATOM 1804 O ILE A 114 11.217 12.838 14.891 1.00 0.00 O ATOM 1805 CB ILE A 114 8.820 13.179 13.784 1.00 0.00 C ATOM 1806 CG1 ILE A 114 7.642 12.883 12.899 1.00 0.00 C ATOM 1807 CG2 ILE A 114 8.477 13.772 15.159 1.00 0.00 C ATOM 1808 CD1 ILE A 114 6.354 13.717 13.164 1.00 0.00 C ATOM 0 H ILE A 114 9.891 15.223 11.631 1.00 0.00 H new ATOM 0 HA ILE A 114 10.137 14.982 13.715 1.00 0.00 H new ATOM 0 HB ILE A 114 9.142 12.138 13.811 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.944 13.040 11.863 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.393 11.827 13.002 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.621 13.244 15.579 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.333 13.664 15.825 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.234 14.829 15.049 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.574 13.415 12.465 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.013 13.545 14.185 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.572 14.776 13.028 1.00 0.00 H new ATOM 1820 N GLN A 115 12.043 12.747 12.730 1.00 0.00 N ATOM 1821 CA GLN A 115 13.255 11.980 12.948 1.00 0.00 C ATOM 1822 C GLN A 115 13.178 11.175 14.211 1.00 0.00 C ATOM 1823 O GLN A 115 13.119 9.953 14.109 1.00 0.00 O ATOM 1824 CB GLN A 115 14.297 13.126 13.014 1.00 0.00 C ATOM 1825 CG GLN A 115 14.063 14.205 11.938 1.00 0.00 C ATOM 1826 CD GLN A 115 15.100 15.285 12.116 1.00 0.00 C ATOM 1827 OE1 GLN A 115 14.872 16.395 11.642 1.00 0.00 O ATOM 1828 NE2 GLN A 115 16.221 15.043 12.774 1.00 0.00 N ATOM 0 H GLN A 115 11.907 12.993 11.750 1.00 0.00 H new ATOM 0 HA GLN A 115 13.476 11.227 12.192 1.00 0.00 H new ATOM 0 HB2 GLN A 115 14.261 13.588 14.000 1.00 0.00 H new ATOM 0 HB3 GLN A 115 15.297 12.710 12.894 1.00 0.00 H new ATOM 0 HG2 GLN A 115 14.136 13.769 10.942 1.00 0.00 H new ATOM 0 HG3 GLN A 115 13.060 14.622 12.031 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.395 14.116 13.161 1.00 0.00 H new ATOM 0 HE22 GLN A 115 16.912 15.784 12.894 1.00 0.00 H new ATOM 1837 N THR A 116 13.157 11.759 15.389 1.00 0.00 N ATOM 1838 CA THR A 116 12.986 11.140 16.678 1.00 0.00 C ATOM 1839 C THR A 116 14.133 10.340 17.171 1.00 0.00 C ATOM 1840 O THR A 116 13.865 9.257 17.696 1.00 0.00 O ATOM 1841 CB THR A 116 11.805 10.134 16.568 1.00 0.00 C ATOM 1842 OG1 THR A 116 10.760 10.611 15.766 1.00 0.00 O ATOM 1843 CG2 THR A 116 11.239 9.839 17.941 1.00 0.00 C ATOM 0 H THR A 116 13.270 12.769 15.472 1.00 0.00 H new ATOM 0 HA THR A 116 12.840 11.968 17.371 1.00 0.00 H new ATOM 0 HB THR A 116 12.214 9.234 16.108 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.730 11.589 15.815 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.413 9.134 17.850 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.017 9.407 18.570 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.879 10.763 18.392 1.00 0.00 H new ATOM 1851 N TYR A 117 15.373 10.814 17.047 1.00 0.00 N ATOM 1852 CA TYR A 117 16.423 9.929 17.511 1.00 0.00 C ATOM 1853 C TYR A 117 16.512 10.058 19.043 1.00 0.00 C ATOM 1854 O TYR A 117 17.052 11.003 19.615 1.00 0.00 O ATOM 1855 CB TYR A 117 17.813 10.438 17.094 1.00 0.00 C ATOM 1856 CG TYR A 117 18.111 10.813 15.669 1.00 0.00 C ATOM 1857 CD1 TYR A 117 17.148 11.064 14.685 1.00 0.00 C ATOM 1858 CD2 TYR A 117 19.421 10.935 15.186 1.00 0.00 C ATOM 1859 CE1 TYR A 117 17.459 11.392 13.348 1.00 0.00 C ATOM 1860 CE2 TYR A 117 19.756 11.265 13.860 1.00 0.00 C ATOM 1861 CZ TYR A 117 18.788 11.501 12.904 1.00 0.00 C ATOM 1862 OH TYR A 117 19.128 11.817 11.615 1.00 0.00 O ATOM 0 H TYR A 117 15.653 11.718 16.667 1.00 0.00 H new ATOM 0 HA TYR A 117 16.194 8.937 17.121 1.00 0.00 H new ATOM 0 HB2 TYR A 117 18.027 11.315 17.705 1.00 0.00 H new ATOM 0 HB3 TYR A 117 18.532 9.669 17.377 1.00 0.00 H new ATOM 0 HD1 TYR A 117 16.107 11.003 14.965 1.00 0.00 H new ATOM 0 HD2 TYR A 117 20.230 10.764 15.880 1.00 0.00 H new ATOM 0 HE1 TYR A 117 16.655 11.564 12.648 1.00 0.00 H new ATOM 0 HE2 TYR A 117 20.797 11.336 13.583 1.00 0.00 H new ATOM 0 HH TYR A 117 20.104 11.839 11.530 1.00 0.00 H new ATOM 1872 N THR A 118 15.959 9.069 19.685 1.00 0.00 N ATOM 1873 CA THR A 118 15.908 9.123 21.154 1.00 0.00 C ATOM 1874 C THR A 118 16.900 8.194 21.755 1.00 0.00 C ATOM 1875 O THR A 118 16.539 7.099 22.195 1.00 0.00 O ATOM 1876 CB THR A 118 14.526 8.803 21.766 1.00 0.00 C ATOM 1877 OG1 THR A 118 13.589 9.433 20.880 1.00 0.00 O ATOM 1878 CG2 THR A 118 14.420 9.413 23.121 1.00 0.00 C ATOM 0 H THR A 118 15.548 8.240 19.256 1.00 0.00 H new ATOM 0 HA THR A 118 16.138 10.162 21.391 1.00 0.00 H new ATOM 0 HB THR A 118 14.353 7.732 21.871 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.677 9.274 21.201 1.00 0.00 H new ATOM 0 HG21 THR A 118 13.443 9.184 23.548 1.00 0.00 H new ATOM 0 HG22 THR A 118 15.201 9.008 23.764 1.00 0.00 H new ATOM 0 HG23 THR A 118 14.538 10.494 23.044 1.00 0.00 H new ATOM 1886 N TYR A 119 18.195 8.573 21.812 1.00 0.00 N ATOM 1887 CA TYR A 119 19.269 7.746 22.267 1.00 0.00 C ATOM 1888 C TYR A 119 19.199 7.438 23.744 1.00 0.00 C ATOM 1889 O TYR A 119 19.920 6.505 24.096 1.00 0.00 O ATOM 1890 CB TYR A 119 20.667 8.298 21.869 1.00 0.00 C ATOM 1891 CG TYR A 119 21.232 9.352 22.742 1.00 0.00 C ATOM 1892 CD1 TYR A 119 21.979 8.949 23.857 1.00 0.00 C ATOM 1893 CD2 TYR A 119 21.033 10.705 22.467 1.00 0.00 C ATOM 1894 CE1 TYR A 119 22.526 9.893 24.704 1.00 0.00 C ATOM 1895 CE2 TYR A 119 21.578 11.649 23.307 1.00 0.00 C ATOM 1896 CZ TYR A 119 22.310 11.224 24.407 1.00 0.00 C ATOM 1897 OH TYR A 119 22.847 12.160 25.244 1.00 0.00 O ATOM 0 H TYR A 119 18.504 9.502 21.526 1.00 0.00 H new ATOM 0 HA TYR A 119 19.137 6.799 21.743 1.00 0.00 H new ATOM 0 HB2 TYR A 119 21.369 7.464 21.842 1.00 0.00 H new ATOM 0 HB3 TYR A 119 20.602 8.693 20.855 1.00 0.00 H new ATOM 0 HD1 TYR A 119 22.127 7.898 24.055 1.00 0.00 H new ATOM 0 HD2 TYR A 119 20.458 11.008 21.605 1.00 0.00 H new ATOM 0 HE1 TYR A 119 23.103 9.600 25.569 1.00 0.00 H new ATOM 0 HE2 TYR A 119 21.439 12.702 23.114 1.00 0.00 H new ATOM 0 HH TYR A 119 22.621 13.057 24.920 1.00 0.00 H new ATOM 1907 N GLU A 120 18.408 8.123 24.544 1.00 0.00 N ATOM 1908 CA GLU A 120 18.411 7.758 25.969 1.00 0.00 C ATOM 1909 C GLU A 120 17.470 8.626 26.728 1.00 0.00 C ATOM 1910 O GLU A 120 17.571 9.069 27.845 1.00 0.00 O ATOM 1911 CB GLU A 120 19.895 7.862 26.393 1.00 0.00 C ATOM 1912 CG GLU A 120 20.162 8.889 27.511 1.00 0.00 C ATOM 1913 CD GLU A 120 20.009 8.365 28.917 1.00 0.00 C ATOM 1914 OE1 GLU A 120 19.349 7.387 29.279 1.00 0.00 O ATOM 1915 OE2 GLU A 120 20.669 9.053 29.774 1.00 0.00 O ATOM 0 H GLU A 120 17.789 8.887 24.271 1.00 0.00 H new ATOM 0 HA GLU A 120 18.047 6.752 26.176 1.00 0.00 H new ATOM 0 HB2 GLU A 120 20.235 6.882 26.727 1.00 0.00 H new ATOM 0 HB3 GLU A 120 20.493 8.127 25.521 1.00 0.00 H new ATOM 0 HG2 GLU A 120 21.174 9.275 27.393 1.00 0.00 H new ATOM 0 HG3 GLU A 120 19.482 9.731 27.379 1.00 0.00 H new ATOM 1922 N GLY A 121 16.378 8.931 26.026 1.00 0.00 N ATOM 1923 CA GLY A 121 15.432 9.866 26.619 1.00 0.00 C ATOM 1924 C GLY A 121 15.722 11.264 26.073 1.00 0.00 C ATOM 1925 O GLY A 121 15.373 12.254 26.674 1.00 0.00 O ATOM 0 H GLY A 121 16.138 8.569 25.103 1.00 0.00 H new ATOM 0 HA2 GLY A 121 14.410 9.572 26.382 1.00 0.00 H new ATOM 0 HA3 GLY A 121 15.522 9.858 27.705 1.00 0.00 H new ATOM 1929 N VAL A 122 16.412 11.226 24.912 1.00 0.00 N ATOM 1930 CA VAL A 122 16.929 12.345 24.179 1.00 0.00 C ATOM 1931 C VAL A 122 16.674 12.126 22.660 1.00 0.00 C ATOM 1932 O VAL A 122 17.588 11.688 22.004 1.00 0.00 O ATOM 1933 CB VAL A 122 18.447 12.398 24.522 1.00 0.00 C ATOM 1934 CG1 VAL A 122 18.950 13.745 24.977 1.00 0.00 C ATOM 1935 CG2 VAL A 122 18.715 11.476 25.726 1.00 0.00 C ATOM 0 H VAL A 122 16.623 10.340 24.452 1.00 0.00 H new ATOM 0 HA VAL A 122 16.450 13.289 24.440 1.00 0.00 H new ATOM 0 HB VAL A 122 18.949 12.119 23.595 1.00 0.00 H new ATOM 0 HG11 VAL A 122 20.017 13.681 25.192 1.00 0.00 H new ATOM 0 HG12 VAL A 122 18.782 14.481 24.191 1.00 0.00 H new ATOM 0 HG13 VAL A 122 18.416 14.048 25.878 1.00 0.00 H new ATOM 0 HG21 VAL A 122 19.775 11.504 25.977 1.00 0.00 H new ATOM 0 HG22 VAL A 122 18.131 11.815 26.581 1.00 0.00 H new ATOM 0 HG23 VAL A 122 18.429 10.455 25.473 1.00 0.00 H new ATOM 1945 N GLU A 123 15.472 12.446 22.249 1.00 0.00 N ATOM 1946 CA GLU A 123 14.965 12.393 20.916 1.00 0.00 C ATOM 1947 C GLU A 123 15.521 13.514 20.058 1.00 0.00 C ATOM 1948 O GLU A 123 15.496 14.623 20.574 1.00 0.00 O ATOM 1949 CB GLU A 123 13.447 12.809 20.914 1.00 0.00 C ATOM 1950 CG GLU A 123 12.824 12.507 19.517 1.00 0.00 C ATOM 1951 CD GLU A 123 11.368 12.756 19.264 1.00 0.00 C ATOM 1952 OE1 GLU A 123 10.874 13.434 20.278 1.00 0.00 O ATOM 1953 OE2 GLU A 123 10.609 12.457 18.359 1.00 0.00 O ATOM 0 H GLU A 123 14.766 12.779 22.905 1.00 0.00 H new ATOM 0 HA GLU A 123 15.199 11.389 20.562 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.909 12.263 21.689 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.350 13.870 21.145 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.382 13.089 18.783 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.013 11.455 19.301 1.00 0.00 H new ATOM 1960 N ALA A 124 15.944 13.134 18.871 1.00 0.00 N ATOM 1961 CA ALA A 124 16.584 14.015 17.885 1.00 0.00 C ATOM 1962 C ALA A 124 15.773 14.145 16.632 1.00 0.00 C ATOM 1963 O ALA A 124 15.631 13.300 15.790 1.00 0.00 O ATOM 1964 CB ALA A 124 18.000 13.523 17.593 1.00 0.00 C ATOM 0 H ALA A 124 15.854 12.172 18.543 1.00 0.00 H new ATOM 0 HA ALA A 124 16.644 15.016 18.312 1.00 0.00 H new ATOM 0 HB1 ALA A 124 18.470 14.180 16.861 1.00 0.00 H new ATOM 0 HB2 ALA A 124 18.584 13.528 18.513 1.00 0.00 H new ATOM 0 HB3 ALA A 124 17.958 12.509 17.196 1.00 0.00 H new ATOM 1970 N LYS A 125 15.179 15.347 16.543 1.00 0.00 N ATOM 1971 CA LYS A 125 14.310 15.642 15.410 1.00 0.00 C ATOM 1972 C LYS A 125 14.295 17.112 15.180 1.00 0.00 C ATOM 1973 O LYS A 125 15.340 17.743 15.450 1.00 0.00 O ATOM 1974 CB LYS A 125 12.873 15.100 15.671 1.00 0.00 C ATOM 1975 CG LYS A 125 12.810 14.320 16.991 1.00 0.00 C ATOM 1976 CD LYS A 125 12.726 15.335 18.166 1.00 0.00 C ATOM 1977 CE LYS A 125 11.652 16.425 18.034 1.00 0.00 C ATOM 1978 NZ LYS A 125 11.105 16.801 19.331 1.00 0.00 N ATOM 0 H LYS A 125 15.284 16.102 17.221 1.00 0.00 H new ATOM 0 HA LYS A 125 14.691 15.147 14.517 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.167 15.930 15.701 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.569 14.453 14.848 1.00 0.00 H new ATOM 0 HG2 LYS A 125 11.943 13.660 16.999 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.692 13.689 17.099 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.543 14.781 19.087 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.697 15.819 18.273 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.082 17.303 17.552 1.00 0.00 H new ATOM 0 HE3 LYS A 125 10.849 16.068 17.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.383 17.539 19.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 10.673 15.968 19.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.868 17.165 19.937 1.00 0.00 H new ATOM 1992 N ARG A 126 13.224 17.682 14.696 1.00 0.00 N ATOM 1993 CA ARG A 126 13.010 19.138 14.475 1.00 0.00 C ATOM 1994 C ARG A 126 12.305 19.121 13.138 1.00 0.00 C ATOM 1995 O ARG A 126 11.380 19.885 13.028 1.00 0.00 O ATOM 1996 CB ARG A 126 14.183 20.041 14.573 1.00 0.00 C ATOM 1997 CG ARG A 126 14.561 20.272 16.009 1.00 0.00 C ATOM 1998 CD ARG A 126 13.726 21.436 16.517 1.00 0.00 C ATOM 1999 NE ARG A 126 13.862 21.486 17.967 1.00 0.00 N ATOM 2000 CZ ARG A 126 14.153 22.552 18.696 1.00 0.00 C ATOM 2001 NH1 ARG A 126 14.354 23.715 18.131 1.00 0.00 N ATOM 2002 NH2 ARG A 126 14.248 22.465 20.021 1.00 0.00 N ATOM 0 H ARG A 126 12.411 17.132 14.420 1.00 0.00 H new ATOM 0 HA ARG A 126 12.444 19.599 15.285 1.00 0.00 H new ATOM 0 HB2 ARG A 126 15.027 19.608 14.035 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.955 20.994 14.095 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.375 19.378 16.604 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.624 20.496 16.095 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.063 22.371 16.070 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.681 21.307 16.236 1.00 0.00 H new ATOM 0 HE ARG A 126 13.718 20.611 18.471 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.287 23.808 17.117 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.578 24.529 18.704 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.096 21.570 20.486 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.473 23.294 20.572 1.00 0.00 H new ATOM 2016 N ILE A 127 12.795 18.258 12.273 1.00 0.00 N ATOM 2017 CA ILE A 127 12.267 17.960 10.984 1.00 0.00 C ATOM 2018 C ILE A 127 13.117 18.308 9.829 1.00 0.00 C ATOM 2019 O ILE A 127 14.007 19.151 9.910 1.00 0.00 O ATOM 2020 CB ILE A 127 10.840 18.527 10.728 1.00 0.00 C ATOM 2021 CG1 ILE A 127 9.858 17.662 11.509 1.00 0.00 C ATOM 2022 CG2 ILE A 127 10.362 18.580 9.275 1.00 0.00 C ATOM 2023 CD1 ILE A 127 10.233 17.228 12.920 1.00 0.00 C ATOM 0 H ILE A 127 13.633 17.714 12.480 1.00 0.00 H new ATOM 0 HA ILE A 127 12.227 16.872 11.041 1.00 0.00 H new ATOM 0 HB ILE A 127 10.886 19.569 11.044 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.914 18.204 11.569 1.00 0.00 H new ATOM 0 HG13 ILE A 127 9.672 16.761 10.924 1.00 0.00 H new ATOM 0 HG21 ILE A 127 9.355 18.995 9.238 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.035 19.210 8.693 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.355 17.573 8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.431 16.620 13.339 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.153 16.644 12.889 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.384 18.109 13.544 1.00 0.00 H new ATOM 2035 N PHE A 128 12.725 17.589 8.750 1.00 0.00 N ATOM 2036 CA PHE A 128 13.158 17.590 7.436 1.00 0.00 C ATOM 2037 C PHE A 128 13.188 18.947 6.716 1.00 0.00 C ATOM 2038 O PHE A 128 12.502 19.874 7.111 1.00 0.00 O ATOM 2039 CB PHE A 128 12.109 16.787 6.605 1.00 0.00 C ATOM 2040 CG PHE A 128 10.722 17.439 6.428 1.00 0.00 C ATOM 2041 CD1 PHE A 128 10.509 18.632 5.777 1.00 0.00 C ATOM 2042 CD2 PHE A 128 9.585 16.825 6.924 1.00 0.00 C ATOM 2043 CE1 PHE A 128 9.277 19.247 5.583 1.00 0.00 C ATOM 2044 CE2 PHE A 128 8.351 17.413 6.749 1.00 0.00 C ATOM 2045 CZ PHE A 128 8.163 18.620 6.083 1.00 0.00 C ATOM 0 H PHE A 128 11.977 16.905 8.863 1.00 0.00 H new ATOM 0 HA PHE A 128 14.175 17.202 7.490 1.00 0.00 H new ATOM 0 HB2 PHE A 128 12.527 16.602 5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 128 11.971 15.815 7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.378 19.137 5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.665 15.884 7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 128 9.199 20.187 5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.484 16.910 7.150 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.178 19.047 5.964 1.00 0.00 H new ATOM 2055 N LYS A 129 13.966 18.832 5.646 1.00 0.00 N ATOM 2056 CA LYS A 129 14.194 19.822 4.646 1.00 0.00 C ATOM 2057 C LYS A 129 13.514 19.330 3.374 1.00 0.00 C ATOM 2058 O LYS A 129 13.809 19.901 2.361 1.00 0.00 O ATOM 2059 CB LYS A 129 15.507 20.491 4.439 1.00 0.00 C ATOM 2060 CG LYS A 129 15.996 21.268 5.661 1.00 0.00 C ATOM 2061 CD LYS A 129 16.965 22.362 5.290 1.00 0.00 C ATOM 2062 CE LYS A 129 16.245 23.673 4.967 1.00 0.00 C ATOM 2063 NZ LYS A 129 16.920 24.913 5.351 1.00 0.00 N ATOM 0 H LYS A 129 14.484 17.974 5.458 1.00 0.00 H new ATOM 0 HA LYS A 129 13.756 20.722 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 129 16.251 19.739 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 129 15.429 21.173 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 129 15.141 21.703 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 129 16.476 20.581 6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 129 17.663 22.523 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 129 17.554 22.049 4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.064 23.704 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.270 23.653 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.332 25.727 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.069 24.923 6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.839 24.972 4.867 1.00 0.00 H new ATOM 2077 N LYS A 130 12.633 18.352 3.558 1.00 0.00 N ATOM 2078 CA LYS A 130 11.984 17.780 2.450 1.00 0.00 C ATOM 2079 C LYS A 130 12.198 18.558 1.169 1.00 0.00 C ATOM 2080 O LYS A 130 12.085 19.804 1.045 1.00 0.00 O ATOM 2081 CB LYS A 130 10.483 17.539 2.534 1.00 0.00 C ATOM 2082 CG LYS A 130 9.739 17.462 1.165 1.00 0.00 C ATOM 2083 CD LYS A 130 9.058 18.733 0.715 1.00 0.00 C ATOM 2084 CE LYS A 130 7.560 18.545 0.523 1.00 0.00 C ATOM 2085 NZ LYS A 130 6.825 18.777 1.793 1.00 0.00 N ATOM 0 H LYS A 130 12.374 17.962 4.464 1.00 0.00 H new ATOM 0 HA LYS A 130 12.473 16.806 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.312 16.608 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.037 18.338 3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 130 10.456 17.166 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 130 8.990 16.672 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 130 9.233 19.517 1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 130 9.503 19.070 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.199 19.234 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.360 17.536 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 5.806 18.642 1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.155 18.103 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 6.999 19.748 2.122 1.00 0.00 H new ATOM 2099 N GLU A 131 12.428 17.689 0.184 1.00 0.00 N ATOM 2100 CA GLU A 131 12.789 18.197 -1.187 1.00 0.00 C ATOM 2101 C GLU A 131 12.063 17.582 -2.345 1.00 0.00 C ATOM 2102 O GLU A 131 12.620 17.200 -3.370 1.00 0.00 O ATOM 2103 CB GLU A 131 14.326 18.259 -1.067 1.00 0.00 C ATOM 2104 CG GLU A 131 15.345 18.951 -1.986 1.00 0.00 C ATOM 2105 CD GLU A 131 15.212 20.490 -1.995 1.00 0.00 C ATOM 2106 OE1 GLU A 131 14.522 21.058 -1.077 1.00 0.00 O ATOM 2107 OE2 GLU A 131 15.808 21.133 -2.930 1.00 0.00 O ATOM 2108 OXT GLU A 131 11.139 18.712 -1.823 1.00 0.00 O ATOM 0 H GLU A 131 12.380 16.674 0.276 1.00 0.00 H new ATOM 0 HA GLU A 131 12.413 19.176 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 131 14.511 18.681 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 131 14.645 17.217 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 131 16.352 18.682 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 131 15.221 18.576 -3.002 1.00 0.00 H new