USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 744 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 28 CYS SG : rot 91:sc= -0.971 USER MOD Set 1.2: A 32 MET CE :methyl -155:sc= -10.6! (180deg=-11!) USER MOD Set 2.1: A 24 MET CE :methyl -155:sc= -0.135 (180deg=-0.839) USER MOD Set 2.2: A 79 GLN : amide:sc=-0.00902 K(o=-0.14,f=-3.2!) USER MOD Set 3.1: A 11 GLN : amide:sc= -0.114 X(o=0.14,f=0.22) USER MOD Set 3.2: A 16 ASN : amide:sc= 0.258 K(o=0.14,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.0552 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 4 SER OG : rot 4:sc= 0.466 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.17 USER MOD Single : A 17 SER OG : rot 11:sc= 1.22 USER MOD Single : A 18 ASN : amide:sc= -0.205 K(o=-0.2,f=-1.9!) USER MOD Single : A 23 THR OG1 : rot -32:sc= 1.13 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.178 K(o=-0.18,f=-5.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.22) USER MOD Single : A 45 GLN : amide:sc= 0.274 K(o=0.27,f=-3.9!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 138:sc= 0.749 (180deg=-0.0716) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 158:sc= -2.14 (180deg=-4.22!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.487 USER MOD Single : A 72 THR OG1 : rot -160:sc= 0.0169 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0.48 (180deg=0.425) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 91 SER OG : rot -19:sc= 0.813 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.466 8.469 16.102 1.00 0.00 N ATOM 2 CA GLY A 1 -4.833 9.454 16.989 1.00 0.00 C ATOM 3 C GLY A 1 -3.337 9.442 16.761 1.00 0.00 C ATOM 4 O GLY A 1 -2.774 8.369 16.535 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.318 8.086 16.560 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.731 8.928 15.207 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.798 7.695 15.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.235 10.448 16.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.056 9.220 18.030 1.00 0.00 H new ATOM 8 N HIS A 2 -2.687 10.607 16.793 1.00 0.00 N ATOM 9 CA HIS A 2 -1.258 10.709 16.493 1.00 0.00 C ATOM 10 C HIS A 2 -0.571 11.835 17.283 1.00 0.00 C ATOM 11 O HIS A 2 0.247 12.585 16.741 1.00 0.00 O ATOM 12 CB HIS A 2 -1.051 10.817 14.966 1.00 0.00 C ATOM 13 CG HIS A 2 -1.796 11.929 14.258 1.00 0.00 C ATOM 14 ND1 HIS A 2 -1.997 12.004 12.896 1.00 0.00 N ATOM 15 CD2 HIS A 2 -2.385 13.032 14.820 1.00 0.00 C ATOM 16 CE1 HIS A 2 -2.693 13.125 12.640 1.00 0.00 C ATOM 17 NE2 HIS A 2 -2.937 13.787 13.783 1.00 0.00 N ATOM 0 H HIS A 2 -3.130 11.496 17.025 1.00 0.00 H new ATOM 0 HA HIS A 2 -0.765 9.797 16.829 1.00 0.00 H new ATOM 0 HB2 HIS A 2 0.014 10.945 14.775 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -1.344 9.869 14.515 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -2.416 13.273 15.872 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -3.010 13.446 11.659 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -3.432 14.674 13.876 1.00 0.00 H new ATOM 25 N ILE A 3 -0.965 12.032 18.541 1.00 0.00 N ATOM 26 CA ILE A 3 -0.407 13.062 19.408 1.00 0.00 C ATOM 27 C ILE A 3 -0.728 12.696 20.858 1.00 0.00 C ATOM 28 O ILE A 3 -1.873 12.830 21.292 1.00 0.00 O ATOM 29 CB ILE A 3 -0.889 14.472 18.980 1.00 0.00 C ATOM 30 CG1 ILE A 3 -0.352 15.554 19.935 1.00 0.00 C ATOM 31 CG2 ILE A 3 -2.409 14.594 18.785 1.00 0.00 C ATOM 32 CD1 ILE A 3 -0.543 16.978 19.399 1.00 0.00 C ATOM 0 H ILE A 3 -1.690 11.472 18.989 1.00 0.00 H new ATOM 0 HA ILE A 3 0.678 13.106 19.315 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.465 14.636 17.989 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.856 15.464 20.897 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.709 15.379 20.113 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.657 15.613 18.487 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.733 13.900 18.010 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.916 14.356 19.720 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.144 17.694 20.118 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.016 17.084 18.451 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.605 17.170 19.247 1.00 0.00 H new ATOM 44 N SER A 4 0.268 12.205 21.593 1.00 0.00 N ATOM 45 CA SER A 4 0.256 12.131 23.047 1.00 0.00 C ATOM 46 C SER A 4 1.679 12.291 23.565 1.00 0.00 C ATOM 47 O SER A 4 2.639 12.120 22.808 1.00 0.00 O ATOM 48 CB SER A 4 -0.294 10.792 23.542 1.00 0.00 C ATOM 49 OG SER A 4 -1.661 10.619 23.218 1.00 0.00 O ATOM 0 H SER A 4 1.126 11.839 21.180 1.00 0.00 H new ATOM 0 HA SER A 4 -0.390 12.927 23.418 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.286 9.980 23.105 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.168 10.727 24.623 1.00 0.00 H new ATOM 0 HG SER A 4 -1.967 11.376 22.676 1.00 0.00 H new ATOM 55 N GLY A 5 1.823 12.579 24.855 1.00 0.00 N ATOM 56 CA GLY A 5 3.104 12.767 25.504 1.00 0.00 C ATOM 57 C GLY A 5 3.002 13.823 26.595 1.00 0.00 C ATOM 58 O GLY A 5 1.921 14.350 26.871 1.00 0.00 O ATOM 0 H GLY A 5 1.030 12.689 25.487 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.442 11.824 25.934 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.850 13.067 24.768 1.00 0.00 H new ATOM 62 N ALA A 6 4.142 14.119 27.208 1.00 0.00 N ATOM 63 CA ALA A 6 4.330 15.173 28.197 1.00 0.00 C ATOM 64 C ALA A 6 5.675 15.863 27.929 1.00 0.00 C ATOM 65 O ALA A 6 6.528 15.940 28.811 1.00 0.00 O ATOM 66 CB ALA A 6 4.251 14.562 29.603 1.00 0.00 C ATOM 0 H ALA A 6 5.003 13.605 27.019 1.00 0.00 H new ATOM 0 HA ALA A 6 3.548 15.929 28.126 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.391 15.345 30.348 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.275 14.097 29.743 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.031 13.809 29.717 1.00 0.00 H new ATOM 72 N THR A 7 5.901 16.287 26.685 1.00 0.00 N ATOM 73 CA THR A 7 7.186 16.776 26.186 1.00 0.00 C ATOM 74 C THR A 7 6.963 17.945 25.211 1.00 0.00 C ATOM 75 O THR A 7 5.822 18.356 24.985 1.00 0.00 O ATOM 76 CB THR A 7 7.949 15.608 25.528 1.00 0.00 C ATOM 77 OG1 THR A 7 7.107 14.897 24.642 1.00 0.00 O ATOM 78 CG2 THR A 7 8.521 14.635 26.562 1.00 0.00 C ATOM 0 H THR A 7 5.170 16.300 25.974 1.00 0.00 H new ATOM 0 HA THR A 7 7.791 17.156 27.009 1.00 0.00 H new ATOM 0 HB THR A 7 8.779 16.050 24.977 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.609 14.161 24.233 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.049 13.830 26.051 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.213 15.165 27.216 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.709 14.216 27.156 1.00 0.00 H new ATOM 86 N SER A 8 8.046 18.499 24.654 1.00 0.00 N ATOM 87 CA SER A 8 7.981 19.509 23.599 1.00 0.00 C ATOM 88 C SER A 8 7.500 18.886 22.279 1.00 0.00 C ATOM 89 O SER A 8 7.396 17.663 22.154 1.00 0.00 O ATOM 90 CB SER A 8 9.354 20.178 23.421 1.00 0.00 C ATOM 91 OG SER A 8 9.830 20.674 24.661 1.00 0.00 O ATOM 0 H SER A 8 8.998 18.255 24.927 1.00 0.00 H new ATOM 0 HA SER A 8 7.260 20.272 23.891 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.065 19.459 23.013 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.277 20.994 22.702 1.00 0.00 H new ATOM 0 HG SER A 8 10.705 21.095 24.531 1.00 0.00 H new ATOM 97 N VAL A 9 7.267 19.723 21.264 1.00 0.00 N ATOM 98 CA VAL A 9 6.746 19.333 19.957 1.00 0.00 C ATOM 99 C VAL A 9 7.676 19.847 18.861 1.00 0.00 C ATOM 100 O VAL A 9 7.355 20.749 18.088 1.00 0.00 O ATOM 101 CB VAL A 9 5.250 19.688 19.860 1.00 0.00 C ATOM 102 CG1 VAL A 9 4.912 21.118 20.319 1.00 0.00 C ATOM 103 CG2 VAL A 9 4.619 19.435 18.483 1.00 0.00 C ATOM 0 H VAL A 9 7.443 20.725 21.335 1.00 0.00 H new ATOM 0 HA VAL A 9 6.752 18.253 19.809 1.00 0.00 H new ATOM 0 HB VAL A 9 4.802 18.986 20.564 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.840 21.288 20.219 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.204 21.244 21.361 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.452 21.836 19.701 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.565 19.713 18.509 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.134 20.033 17.731 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.709 18.379 18.230 1.00 0.00 H new ATOM 113 N ASP A 10 8.856 19.234 18.807 1.00 0.00 N ATOM 114 CA ASP A 10 9.832 19.468 17.737 1.00 0.00 C ATOM 115 C ASP A 10 10.596 18.196 17.347 1.00 0.00 C ATOM 116 O ASP A 10 11.736 18.227 16.900 1.00 0.00 O ATOM 117 CB ASP A 10 10.756 20.662 18.021 1.00 0.00 C ATOM 118 CG ASP A 10 11.545 21.034 16.751 1.00 0.00 C ATOM 119 OD1 ASP A 10 10.895 21.147 15.683 1.00 0.00 O ATOM 120 OD2 ASP A 10 12.787 21.188 16.790 1.00 0.00 O ATOM 0 H ASP A 10 9.167 18.558 19.505 1.00 0.00 H new ATOM 0 HA ASP A 10 9.253 19.750 16.857 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.167 21.516 18.356 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.446 20.414 18.828 1.00 0.00 H new ATOM 125 N GLN A 11 9.956 17.037 17.475 1.00 0.00 N ATOM 126 CA GLN A 11 10.249 15.888 16.635 1.00 0.00 C ATOM 127 C GLN A 11 8.958 15.110 16.449 1.00 0.00 C ATOM 128 O GLN A 11 8.507 14.424 17.363 1.00 0.00 O ATOM 129 CB GLN A 11 11.341 14.972 17.222 1.00 0.00 C ATOM 130 CG GLN A 11 12.714 15.148 16.548 1.00 0.00 C ATOM 131 CD GLN A 11 13.505 13.838 16.458 1.00 0.00 C ATOM 132 OE1 GLN A 11 14.213 13.567 15.487 1.00 0.00 O ATOM 133 NE2 GLN A 11 13.428 12.984 17.459 1.00 0.00 N ATOM 0 H GLN A 11 9.222 16.872 18.164 1.00 0.00 H new ATOM 0 HA GLN A 11 10.640 16.247 15.683 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.440 15.174 18.289 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.026 13.933 17.122 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.572 15.551 15.545 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.296 15.881 17.106 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.845 13.198 18.268 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.952 12.109 17.425 1.00 0.00 H new ATOM 142 N ARG A 12 8.331 15.214 15.277 1.00 0.00 N ATOM 143 CA ARG A 12 7.250 14.295 14.917 1.00 0.00 C ATOM 144 C ARG A 12 7.760 12.857 14.985 1.00 0.00 C ATOM 145 O ARG A 12 7.156 12.029 15.663 1.00 0.00 O ATOM 146 CB ARG A 12 6.635 14.653 13.553 1.00 0.00 C ATOM 147 CG ARG A 12 7.628 14.651 12.378 1.00 0.00 C ATOM 148 CD ARG A 12 6.994 15.227 11.113 1.00 0.00 C ATOM 149 NE ARG A 12 7.953 16.065 10.378 1.00 0.00 N ATOM 150 CZ ARG A 12 8.185 17.363 10.603 1.00 0.00 C ATOM 151 NH1 ARG A 12 7.572 18.001 11.597 1.00 0.00 N ATOM 152 NH2 ARG A 12 9.047 18.008 9.831 1.00 0.00 N ATOM 0 H ARG A 12 8.549 15.915 14.569 1.00 0.00 H new ATOM 0 HA ARG A 12 6.438 14.393 15.637 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.834 13.947 13.335 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.179 15.641 13.624 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.510 15.235 12.643 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.966 13.632 12.186 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.649 14.415 10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.117 15.818 11.378 1.00 0.00 H new ATOM 0 HE ARG A 12 8.487 15.618 9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.917 17.500 12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.757 18.991 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.524 17.515 9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.234 18.998 9.991 1.00 0.00 H new ATOM 166 N SER A 13 8.880 12.577 14.321 1.00 0.00 N ATOM 167 CA SER A 13 9.483 11.265 14.213 1.00 0.00 C ATOM 168 C SER A 13 10.967 11.443 13.862 1.00 0.00 C ATOM 169 O SER A 13 11.379 12.515 13.401 1.00 0.00 O ATOM 170 CB SER A 13 8.787 10.463 13.098 1.00 0.00 C ATOM 171 OG SER A 13 7.402 10.742 12.947 1.00 0.00 O ATOM 0 H SER A 13 9.409 13.294 13.825 1.00 0.00 H new ATOM 0 HA SER A 13 9.378 10.727 15.155 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.291 10.667 12.153 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.910 9.399 13.302 1.00 0.00 H new ATOM 0 HG SER A 13 7.036 10.196 12.221 1.00 0.00 H new ATOM 177 N LEU A 14 11.730 10.352 13.960 1.00 0.00 N ATOM 178 CA LEU A 14 13.161 10.248 13.644 1.00 0.00 C ATOM 179 C LEU A 14 13.476 10.422 12.161 1.00 0.00 C ATOM 180 O LEU A 14 14.638 10.482 11.775 1.00 0.00 O ATOM 181 CB LEU A 14 13.667 8.861 14.087 1.00 0.00 C ATOM 182 CG LEU A 14 14.180 8.871 15.539 1.00 0.00 C ATOM 183 CD1 LEU A 14 13.553 7.722 16.326 1.00 0.00 C ATOM 184 CD2 LEU A 14 15.706 8.755 15.564 1.00 0.00 C ATOM 0 H LEU A 14 11.345 9.464 14.281 1.00 0.00 H new ATOM 0 HA LEU A 14 13.659 11.059 14.176 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.861 8.134 13.992 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.468 8.538 13.422 1.00 0.00 H new ATOM 0 HG LEU A 14 13.894 9.814 16.004 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.923 7.739 17.351 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.469 7.833 16.330 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.819 6.774 15.860 1.00 0.00 H new ATOM 0 HD21 LEU A 14 16.055 8.763 16.597 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.008 7.823 15.087 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.144 9.596 15.026 1.00 0.00 H new ATOM 196 N ILE A 15 12.459 10.468 11.308 1.00 0.00 N ATOM 197 CA ILE A 15 12.613 10.319 9.865 1.00 0.00 C ATOM 198 C ILE A 15 12.353 11.607 9.097 1.00 0.00 C ATOM 199 O ILE A 15 12.395 11.621 7.868 1.00 0.00 O ATOM 200 CB ILE A 15 11.798 9.124 9.371 1.00 0.00 C ATOM 201 CG1 ILE A 15 10.302 9.206 9.720 1.00 0.00 C ATOM 202 CG2 ILE A 15 12.405 7.851 10.000 1.00 0.00 C ATOM 203 CD1 ILE A 15 9.470 8.093 9.064 1.00 0.00 C ATOM 0 H ILE A 15 11.493 10.611 11.602 1.00 0.00 H new ATOM 0 HA ILE A 15 13.661 10.103 9.656 1.00 0.00 H new ATOM 0 HB ILE A 15 11.851 9.112 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.184 9.151 10.802 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.914 10.175 9.406 1.00 0.00 H new ATOM 0 HG21 ILE A 15 11.845 6.978 9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.446 7.754 9.692 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.354 7.922 11.086 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.424 8.205 9.348 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.561 8.162 7.980 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.834 7.121 9.398 1.00 0.00 H new ATOM 215 N ASN A 16 12.165 12.710 9.821 1.00 0.00 N ATOM 216 CA ASN A 16 11.830 14.018 9.278 1.00 0.00 C ATOM 217 C ASN A 16 12.837 14.578 8.262 1.00 0.00 C ATOM 218 O ASN A 16 12.580 15.635 7.690 1.00 0.00 O ATOM 219 CB ASN A 16 11.608 15.005 10.437 1.00 0.00 C ATOM 220 CG ASN A 16 12.895 15.291 11.196 1.00 0.00 C ATOM 221 OD1 ASN A 16 13.802 15.935 10.675 1.00 0.00 O ATOM 222 ND2 ASN A 16 13.034 14.784 12.411 1.00 0.00 N ATOM 0 H ASN A 16 12.246 12.713 10.838 1.00 0.00 H new ATOM 0 HA ASN A 16 10.914 13.885 8.703 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.203 15.938 10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.865 14.598 11.123 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.903 14.926 12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.273 14.251 12.831 1.00 0.00 H new ATOM 229 N SER A 17 13.969 13.917 8.014 1.00 0.00 N ATOM 230 CA SER A 17 14.867 14.179 6.892 1.00 0.00 C ATOM 231 C SER A 17 15.712 12.928 6.636 1.00 0.00 C ATOM 232 O SER A 17 16.940 13.007 6.573 1.00 0.00 O ATOM 233 CB SER A 17 15.736 15.431 7.123 1.00 0.00 C ATOM 234 OG SER A 17 14.991 16.632 7.032 1.00 0.00 O ATOM 0 H SER A 17 14.296 13.158 8.611 1.00 0.00 H new ATOM 0 HA SER A 17 14.274 14.397 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.202 15.370 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.542 15.451 6.389 1.00 0.00 H new ATOM 0 HG SER A 17 14.034 16.422 7.007 1.00 0.00 H new ATOM 240 N ASN A 18 15.087 11.746 6.545 1.00 0.00 N ATOM 241 CA ASN A 18 15.790 10.551 6.064 1.00 0.00 C ATOM 242 C ASN A 18 14.859 9.590 5.317 1.00 0.00 C ATOM 243 O ASN A 18 15.038 8.372 5.359 1.00 0.00 O ATOM 244 CB ASN A 18 16.535 9.847 7.211 1.00 0.00 C ATOM 245 CG ASN A 18 17.615 8.908 6.682 1.00 0.00 C ATOM 246 OD1 ASN A 18 17.991 8.956 5.514 1.00 0.00 O ATOM 247 ND2 ASN A 18 18.169 8.067 7.533 1.00 0.00 N ATOM 0 H ASN A 18 14.110 11.593 6.794 1.00 0.00 H new ATOM 0 HA ASN A 18 16.534 10.885 5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.988 10.593 7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.825 9.283 7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 18 18.918 7.448 7.223 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.849 8.036 8.501 1.00 0.00 H new ATOM 254 N VAL A 19 13.789 10.094 4.702 1.00 0.00 N ATOM 255 CA VAL A 19 12.926 9.263 3.866 1.00 0.00 C ATOM 256 C VAL A 19 13.551 9.206 2.470 1.00 0.00 C ATOM 257 O VAL A 19 13.891 10.256 1.907 1.00 0.00 O ATOM 258 CB VAL A 19 11.483 9.803 3.826 1.00 0.00 C ATOM 259 CG1 VAL A 19 10.523 8.702 3.365 1.00 0.00 C ATOM 260 CG2 VAL A 19 11.005 10.300 5.196 1.00 0.00 C ATOM 0 H VAL A 19 13.501 11.070 4.767 1.00 0.00 H new ATOM 0 HA VAL A 19 12.854 8.258 4.283 1.00 0.00 H new ATOM 0 HB VAL A 19 11.485 10.642 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.506 9.093 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.807 8.366 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.572 7.863 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.983 10.670 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.036 9.479 5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.655 11.105 5.538 1.00 0.00 H new ATOM 270 N GLY A 20 13.693 8.002 1.915 1.00 0.00 N ATOM 271 CA GLY A 20 14.091 7.780 0.540 1.00 0.00 C ATOM 272 C GLY A 20 13.673 6.379 0.123 1.00 0.00 C ATOM 273 O GLY A 20 12.485 6.050 0.206 1.00 0.00 O ATOM 0 H GLY A 20 13.528 7.137 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.626 8.521 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.170 7.897 0.437 1.00 0.00 H new ATOM 277 N PHE A 21 14.636 5.568 -0.312 1.00 0.00 N ATOM 278 CA PHE A 21 14.521 4.152 -0.664 1.00 0.00 C ATOM 279 C PHE A 21 15.731 3.436 -0.063 1.00 0.00 C ATOM 280 O PHE A 21 16.820 4.019 -0.052 1.00 0.00 O ATOM 281 CB PHE A 21 14.551 3.962 -2.196 1.00 0.00 C ATOM 282 CG PHE A 21 13.215 4.071 -2.916 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.453 5.252 -2.852 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.709 2.970 -3.632 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.161 5.302 -3.397 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.431 3.030 -4.217 1.00 0.00 C ATOM 287 CZ PHE A 21 10.647 4.185 -4.078 1.00 0.00 C ATOM 0 H PHE A 21 15.589 5.909 -0.437 1.00 0.00 H new ATOM 0 HA PHE A 21 13.580 3.754 -0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.229 4.703 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.976 2.982 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.867 6.130 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.305 2.075 -3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.564 6.196 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.053 2.186 -4.774 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.651 4.216 -4.493 1.00 0.00 H new ATOM 297 N VAL A 22 15.555 2.200 0.413 1.00 0.00 N ATOM 298 CA VAL A 22 16.643 1.334 0.885 1.00 0.00 C ATOM 299 C VAL A 22 16.409 -0.088 0.348 1.00 0.00 C ATOM 300 O VAL A 22 15.263 -0.481 0.075 1.00 0.00 O ATOM 301 CB VAL A 22 16.694 1.395 2.435 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.630 0.385 3.117 1.00 0.00 C ATOM 303 CG2 VAL A 22 17.135 2.796 2.897 1.00 0.00 C ATOM 0 H VAL A 22 14.636 1.764 0.483 1.00 0.00 H new ATOM 0 HA VAL A 22 17.613 1.667 0.515 1.00 0.00 H new ATOM 0 HB VAL A 22 15.677 1.143 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.585 0.519 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.318 -0.628 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.652 0.547 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.167 2.827 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 22 18.126 3.015 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.425 3.539 2.534 1.00 0.00 H new ATOM 313 N THR A 23 17.495 -0.855 0.200 1.00 0.00 N ATOM 314 CA THR A 23 17.471 -2.218 -0.305 1.00 0.00 C ATOM 315 C THR A 23 17.144 -3.195 0.842 1.00 0.00 C ATOM 316 O THR A 23 17.455 -2.932 2.007 1.00 0.00 O ATOM 317 CB THR A 23 18.828 -2.522 -0.984 1.00 0.00 C ATOM 318 OG1 THR A 23 19.265 -1.438 -1.792 1.00 0.00 O ATOM 319 CG2 THR A 23 18.780 -3.742 -1.905 1.00 0.00 C ATOM 0 H THR A 23 18.433 -0.531 0.436 1.00 0.00 H new ATOM 0 HA THR A 23 16.689 -2.341 -1.054 1.00 0.00 H new ATOM 0 HB THR A 23 19.510 -2.705 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.487 -0.978 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.762 -3.901 -2.350 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.496 -4.622 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.047 -3.573 -2.694 1.00 0.00 H new ATOM 327 N MET A 24 16.548 -4.349 0.534 1.00 0.00 N ATOM 328 CA MET A 24 16.343 -5.444 1.462 1.00 0.00 C ATOM 329 C MET A 24 16.893 -6.729 0.865 1.00 0.00 C ATOM 330 O MET A 24 17.182 -6.822 -0.334 1.00 0.00 O ATOM 331 CB MET A 24 14.862 -5.634 1.810 1.00 0.00 C ATOM 332 CG MET A 24 14.172 -4.407 2.406 1.00 0.00 C ATOM 333 SD MET A 24 13.527 -4.498 4.103 1.00 0.00 S ATOM 334 CE MET A 24 12.567 -6.016 4.012 1.00 0.00 C ATOM 0 H MET A 24 16.186 -4.545 -0.399 1.00 0.00 H new ATOM 0 HA MET A 24 16.872 -5.199 2.383 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.328 -5.929 0.907 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.774 -6.460 2.516 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.880 -3.579 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.341 -4.146 1.751 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.781 -5.995 4.766 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.118 -6.104 3.022 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.219 -6.870 4.192 1.00 0.00 H new ATOM 344 N ILE A 25 16.991 -7.739 1.719 1.00 0.00 N ATOM 345 CA ILE A 25 17.666 -8.994 1.434 1.00 0.00 C ATOM 346 C ILE A 25 16.678 -10.123 1.714 1.00 0.00 C ATOM 347 O ILE A 25 15.945 -10.092 2.711 1.00 0.00 O ATOM 348 CB ILE A 25 18.949 -9.131 2.287 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.864 -7.883 2.301 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.763 -10.376 1.888 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.515 -7.529 0.959 1.00 0.00 C ATOM 0 H ILE A 25 16.590 -7.705 2.656 1.00 0.00 H new ATOM 0 HA ILE A 25 17.982 -9.033 0.392 1.00 0.00 H new ATOM 0 HB ILE A 25 18.580 -9.241 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.278 -7.028 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.652 -8.040 3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.657 -10.440 2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.156 -11.270 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.053 -10.301 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.135 -6.640 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.134 -8.361 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.739 -7.334 0.219 1.00 0.00 H new ATOM 363 N LEU A 26 16.662 -11.112 0.821 1.00 0.00 N ATOM 364 CA LEU A 26 15.946 -12.369 1.007 1.00 0.00 C ATOM 365 C LEU A 26 16.928 -13.531 1.174 1.00 0.00 C ATOM 366 O LEU A 26 17.938 -13.587 0.468 1.00 0.00 O ATOM 367 CB LEU A 26 15.009 -12.612 -0.196 1.00 0.00 C ATOM 368 CG LEU A 26 13.545 -12.222 0.056 1.00 0.00 C ATOM 369 CD1 LEU A 26 12.986 -13.055 1.172 1.00 0.00 C ATOM 370 CD2 LEU A 26 13.351 -10.732 0.392 1.00 0.00 C ATOM 0 H LEU A 26 17.157 -11.059 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 26 15.347 -12.307 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.381 -12.048 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.051 -13.667 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 26 13.013 -12.408 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.947 -12.776 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.038 -14.109 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.567 -12.885 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.292 -10.531 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.912 -10.486 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.711 -10.122 -0.437 1.00 0.00 H new ATOM 382 N GLN A 27 16.590 -14.489 2.048 1.00 0.00 N ATOM 383 CA GLN A 27 17.329 -15.721 2.291 1.00 0.00 C ATOM 384 C GLN A 27 16.319 -16.864 2.311 1.00 0.00 C ATOM 385 O GLN A 27 15.428 -16.900 3.168 1.00 0.00 O ATOM 386 CB GLN A 27 18.120 -15.646 3.606 1.00 0.00 C ATOM 387 CG GLN A 27 19.383 -14.787 3.538 1.00 0.00 C ATOM 388 CD GLN A 27 20.606 -15.559 3.048 1.00 0.00 C ATOM 389 OE1 GLN A 27 20.671 -15.920 1.774 1.00 0.00 O flip ATOM 390 NE2 GLN A 27 21.536 -15.811 3.812 1.00 0.00 N flip ATOM 0 H GLN A 27 15.754 -14.416 2.628 1.00 0.00 H new ATOM 0 HA GLN A 27 18.064 -15.884 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.468 -15.251 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.399 -16.656 3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.205 -13.941 2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.591 -14.378 4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 27 21.482 -15.531 4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 27 22.362 -16.300 3.466 1.00 0.00 H new ATOM 399 N CYS A 28 16.492 -17.790 1.369 1.00 0.00 N ATOM 400 CA CYS A 28 15.647 -18.956 1.178 1.00 0.00 C ATOM 401 C CYS A 28 16.500 -20.220 1.237 1.00 0.00 C ATOM 402 O CYS A 28 17.563 -20.298 0.612 1.00 0.00 O ATOM 403 CB CYS A 28 14.947 -18.826 -0.171 1.00 0.00 C ATOM 404 SG CYS A 28 16.132 -18.364 -1.466 1.00 0.00 S ATOM 0 H CYS A 28 17.256 -17.742 0.695 1.00 0.00 H new ATOM 0 HA CYS A 28 14.896 -19.022 1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.467 -19.770 -0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.159 -18.075 -0.107 1.00 0.00 H new ATOM 0 HG CYS A 28 16.619 -19.439 -2.012 1.00 0.00 H new ATOM 410 N SER A 29 16.028 -21.214 1.997 1.00 0.00 N ATOM 411 CA SER A 29 16.764 -22.454 2.267 1.00 0.00 C ATOM 412 C SER A 29 16.838 -23.432 1.072 1.00 0.00 C ATOM 413 O SER A 29 17.123 -24.613 1.291 1.00 0.00 O ATOM 414 CB SER A 29 16.149 -23.119 3.517 1.00 0.00 C ATOM 415 OG SER A 29 17.102 -23.625 4.436 1.00 0.00 O ATOM 0 H SER A 29 15.113 -21.180 2.447 1.00 0.00 H new ATOM 0 HA SER A 29 17.805 -22.187 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.519 -22.391 4.028 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.500 -23.935 3.198 1.00 0.00 H new ATOM 0 HG SER A 29 16.638 -24.028 5.199 1.00 0.00 H new ATOM 421 N ILE A 30 16.534 -22.987 -0.154 1.00 0.00 N ATOM 422 CA ILE A 30 16.572 -23.741 -1.409 1.00 0.00 C ATOM 423 C ILE A 30 16.973 -22.795 -2.546 1.00 0.00 C ATOM 424 O ILE A 30 16.933 -21.572 -2.387 1.00 0.00 O ATOM 425 CB ILE A 30 15.231 -24.451 -1.733 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.976 -23.560 -1.648 1.00 0.00 C ATOM 427 CG2 ILE A 30 15.045 -25.672 -0.824 1.00 0.00 C ATOM 428 CD1 ILE A 30 13.011 -23.708 -2.822 1.00 0.00 C ATOM 0 H ILE A 30 16.234 -22.023 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 30 17.311 -24.534 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 30 15.318 -24.743 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.444 -23.792 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.290 -22.518 -1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.100 -26.162 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.866 -26.371 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.036 -25.352 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.158 -23.045 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.522 -23.446 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.663 -24.739 -2.879 1.00 0.00 H new ATOM 440 N GLU A 31 17.328 -23.366 -3.695 1.00 0.00 N ATOM 441 CA GLU A 31 17.560 -22.645 -4.934 1.00 0.00 C ATOM 442 C GLU A 31 16.328 -21.836 -5.308 1.00 0.00 C ATOM 443 O GLU A 31 15.205 -22.331 -5.225 1.00 0.00 O ATOM 444 CB GLU A 31 17.896 -23.665 -6.030 1.00 0.00 C ATOM 445 CG GLU A 31 18.437 -23.029 -7.320 1.00 0.00 C ATOM 446 CD GLU A 31 18.644 -24.049 -8.451 1.00 0.00 C ATOM 447 OE1 GLU A 31 17.800 -24.958 -8.620 1.00 0.00 O ATOM 448 OE2 GLU A 31 19.636 -23.946 -9.201 1.00 0.00 O ATOM 0 H GLU A 31 17.465 -24.373 -3.787 1.00 0.00 H new ATOM 0 HA GLU A 31 18.391 -21.949 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.634 -24.369 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.000 -24.240 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.745 -22.257 -7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.385 -22.535 -7.105 1.00 0.00 H new ATOM 455 N MET A 32 16.548 -20.612 -5.766 1.00 0.00 N ATOM 456 CA MET A 32 15.631 -19.832 -6.574 1.00 0.00 C ATOM 457 C MET A 32 16.029 -20.018 -8.044 1.00 0.00 C ATOM 458 O MET A 32 16.827 -19.241 -8.577 1.00 0.00 O ATOM 459 CB MET A 32 15.613 -18.351 -6.159 1.00 0.00 C ATOM 460 CG MET A 32 14.759 -18.113 -4.915 1.00 0.00 C ATOM 461 SD MET A 32 14.263 -16.387 -4.729 1.00 0.00 S ATOM 462 CE MET A 32 15.873 -15.687 -4.422 1.00 0.00 C ATOM 0 H MET A 32 17.417 -20.114 -5.572 1.00 0.00 H new ATOM 0 HA MET A 32 14.611 -20.184 -6.422 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.633 -18.016 -5.968 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.229 -17.749 -6.982 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.868 -18.739 -4.966 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.317 -18.424 -4.032 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.765 -14.760 -3.859 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.473 -16.393 -3.847 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.367 -15.480 -5.371 1.00 0.00 H new ATOM 472 N PRO A 33 15.544 -21.071 -8.727 1.00 0.00 N ATOM 473 CA PRO A 33 15.743 -21.219 -10.162 1.00 0.00 C ATOM 474 C PRO A 33 15.033 -20.131 -10.975 1.00 0.00 C ATOM 475 O PRO A 33 15.327 -19.964 -12.162 1.00 0.00 O ATOM 476 CB PRO A 33 15.200 -22.607 -10.495 1.00 0.00 C ATOM 477 CG PRO A 33 14.163 -22.864 -9.413 1.00 0.00 C ATOM 478 CD PRO A 33 14.788 -22.197 -8.200 1.00 0.00 C ATOM 0 HA PRO A 33 16.796 -21.112 -10.423 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.755 -22.634 -11.489 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.989 -23.359 -10.479 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.196 -22.427 -9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.999 -23.929 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.024 -21.863 -7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.436 -22.888 -7.662 1.00 0.00 H new ATOM 486 N ASN A 34 14.110 -19.397 -10.353 1.00 0.00 N ATOM 487 CA ASN A 34 13.347 -18.277 -10.877 1.00 0.00 C ATOM 488 C ASN A 34 13.147 -17.273 -9.752 1.00 0.00 C ATOM 489 O ASN A 34 13.269 -17.629 -8.582 1.00 0.00 O ATOM 490 CB ASN A 34 11.970 -18.731 -11.371 1.00 0.00 C ATOM 491 CG ASN A 34 11.133 -19.366 -10.260 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.601 -18.689 -9.391 1.00 0.00 O ATOM 493 ND2 ASN A 34 11.042 -20.684 -10.228 1.00 0.00 N ATOM 0 H ASN A 34 13.859 -19.593 -9.384 1.00 0.00 H new ATOM 0 HA ASN A 34 13.891 -17.839 -11.714 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.434 -17.875 -11.782 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.096 -19.448 -12.182 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.526 -21.141 -9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.487 -21.244 -10.955 1.00 0.00 H new ATOM 500 N ILE A 35 12.817 -16.043 -10.129 1.00 0.00 N ATOM 501 CA ILE A 35 12.555 -14.934 -9.223 1.00 0.00 C ATOM 502 C ILE A 35 11.147 -14.989 -8.604 1.00 0.00 C ATOM 503 O ILE A 35 10.937 -14.409 -7.541 1.00 0.00 O ATOM 504 CB ILE A 35 12.832 -13.631 -10.008 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.993 -12.430 -9.066 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.807 -13.379 -11.128 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.671 -11.231 -9.739 1.00 0.00 C ATOM 0 H ILE A 35 12.721 -15.783 -11.111 1.00 0.00 H new ATOM 0 HA ILE A 35 13.216 -14.988 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 35 13.787 -13.765 -10.516 1.00 0.00 H new ATOM 0 HG12 ILE A 35 12.012 -12.128 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.578 -12.732 -8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.053 -12.451 -11.644 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.833 -14.206 -11.837 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.809 -13.301 -10.697 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.757 -10.413 -9.024 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.665 -11.520 -10.081 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.074 -10.906 -10.591 1.00 0.00 H new ATOM 519 N SER A 36 10.185 -15.693 -9.219 1.00 0.00 N ATOM 520 CA SER A 36 8.820 -15.822 -8.705 1.00 0.00 C ATOM 521 C SER A 36 8.813 -16.373 -7.278 1.00 0.00 C ATOM 522 O SER A 36 7.971 -15.951 -6.492 1.00 0.00 O ATOM 523 CB SER A 36 7.974 -16.690 -9.649 1.00 0.00 C ATOM 524 OG SER A 36 6.650 -16.864 -9.197 1.00 0.00 O ATOM 0 H SER A 36 10.338 -16.192 -10.095 1.00 0.00 H new ATOM 0 HA SER A 36 8.373 -14.829 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.957 -16.232 -10.638 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.447 -17.666 -9.758 1.00 0.00 H new ATOM 0 HG SER A 36 6.157 -17.422 -9.835 1.00 0.00 H new ATOM 530 N TYR A 37 9.762 -17.241 -6.914 1.00 0.00 N ATOM 531 CA TYR A 37 9.886 -17.820 -5.580 1.00 0.00 C ATOM 532 C TYR A 37 9.740 -16.768 -4.474 1.00 0.00 C ATOM 533 O TYR A 37 8.837 -16.882 -3.651 1.00 0.00 O ATOM 534 CB TYR A 37 11.218 -18.580 -5.481 1.00 0.00 C ATOM 535 CG TYR A 37 11.084 -20.084 -5.628 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.482 -20.833 -4.598 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.582 -20.738 -6.769 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.413 -22.233 -4.688 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.510 -22.142 -6.871 1.00 0.00 C ATOM 540 CZ TYR A 37 10.954 -22.896 -5.811 1.00 0.00 C ATOM 541 OH TYR A 37 10.934 -24.257 -5.851 1.00 0.00 O ATOM 0 H TYR A 37 10.482 -17.567 -7.559 1.00 0.00 H new ATOM 0 HA TYR A 37 9.066 -18.522 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.894 -18.209 -6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.680 -18.359 -4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.072 -20.329 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.021 -20.162 -7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.946 -22.802 -3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.878 -22.641 -7.756 1.00 0.00 H new ATOM 0 HH TYR A 37 11.341 -24.566 -6.687 1.00 0.00 H new ATOM 551 N ALA A 38 10.574 -15.722 -4.469 1.00 0.00 N ATOM 552 CA ALA A 38 10.487 -14.702 -3.426 1.00 0.00 C ATOM 553 C ALA A 38 9.197 -13.884 -3.524 1.00 0.00 C ATOM 554 O ALA A 38 8.610 -13.544 -2.495 1.00 0.00 O ATOM 555 CB ALA A 38 11.697 -13.775 -3.502 1.00 0.00 C ATOM 0 H ALA A 38 11.304 -15.563 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 38 10.476 -15.217 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.625 -13.018 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.609 -14.355 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.723 -13.289 -4.477 1.00 0.00 H new ATOM 561 N TRP A 39 8.755 -13.566 -4.747 1.00 0.00 N ATOM 562 CA TRP A 39 7.510 -12.836 -4.958 1.00 0.00 C ATOM 563 C TRP A 39 6.331 -13.575 -4.344 1.00 0.00 C ATOM 564 O TRP A 39 5.482 -12.920 -3.750 1.00 0.00 O ATOM 565 CB TRP A 39 7.236 -12.606 -6.445 1.00 0.00 C ATOM 566 CG TRP A 39 8.095 -11.568 -7.099 1.00 0.00 C ATOM 567 CD1 TRP A 39 9.003 -11.777 -8.078 1.00 0.00 C ATOM 568 CD2 TRP A 39 8.116 -10.131 -6.841 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.571 -10.576 -8.450 1.00 0.00 N ATOM 570 CE2 TRP A 39 9.064 -9.530 -7.715 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.426 -9.274 -5.957 1.00 0.00 C ATOM 572 CZ2 TRP A 39 9.319 -8.152 -7.694 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.664 -7.888 -5.930 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.609 -7.326 -6.804 1.00 0.00 C ATOM 0 H TRP A 39 9.248 -13.807 -5.607 1.00 0.00 H new ATOM 0 HA TRP A 39 7.627 -11.869 -4.468 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.370 -13.550 -6.973 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.191 -12.319 -6.565 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.247 -12.739 -8.505 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.278 -10.476 -9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.695 -9.694 -5.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.057 -7.726 -8.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.122 -7.258 -5.240 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.790 -6.261 -6.793 1.00 0.00 H new ATOM 585 N LYS A 40 6.255 -14.902 -4.497 1.00 0.00 N ATOM 586 CA LYS A 40 5.167 -15.705 -3.953 1.00 0.00 C ATOM 587 C LYS A 40 5.062 -15.492 -2.456 1.00 0.00 C ATOM 588 O LYS A 40 3.978 -15.195 -1.961 1.00 0.00 O ATOM 589 CB LYS A 40 5.371 -17.195 -4.250 1.00 0.00 C ATOM 590 CG LYS A 40 5.054 -17.552 -5.698 1.00 0.00 C ATOM 591 CD LYS A 40 5.096 -19.066 -5.894 1.00 0.00 C ATOM 592 CE LYS A 40 5.205 -19.360 -7.389 1.00 0.00 C ATOM 593 NZ LYS A 40 4.665 -20.684 -7.733 1.00 0.00 N ATOM 0 H LYS A 40 6.952 -15.446 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 40 4.242 -15.385 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.403 -17.468 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.737 -17.784 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.068 -17.171 -5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.772 -17.073 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.946 -19.493 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.198 -19.526 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.669 -18.594 -7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.250 -19.305 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.759 -20.842 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.193 -21.418 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.661 -20.729 -7.467 1.00 0.00 H new ATOM 607 N GLU A 41 6.182 -15.639 -1.754 1.00 0.00 N ATOM 608 CA GLU A 41 6.230 -15.536 -0.308 1.00 0.00 C ATOM 609 C GLU A 41 5.790 -14.145 0.141 1.00 0.00 C ATOM 610 O GLU A 41 4.916 -14.019 0.998 1.00 0.00 O ATOM 611 CB GLU A 41 7.666 -15.836 0.166 1.00 0.00 C ATOM 612 CG GLU A 41 7.621 -16.818 1.339 1.00 0.00 C ATOM 613 CD GLU A 41 7.216 -18.251 0.977 1.00 0.00 C ATOM 614 OE1 GLU A 41 7.178 -18.643 -0.212 1.00 0.00 O ATOM 615 OE2 GLU A 41 6.926 -19.040 1.900 1.00 0.00 O ATOM 0 H GLU A 41 7.087 -15.835 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 41 5.546 -16.260 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.250 -16.257 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.161 -14.913 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.604 -16.843 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.922 -16.437 2.084 1.00 0.00 H new ATOM 622 N LEU A 42 6.390 -13.103 -0.443 1.00 0.00 N ATOM 623 CA LEU A 42 6.083 -11.710 -0.137 1.00 0.00 C ATOM 624 C LEU A 42 4.608 -11.408 -0.395 1.00 0.00 C ATOM 625 O LEU A 42 3.968 -10.763 0.432 1.00 0.00 O ATOM 626 CB LEU A 42 7.014 -10.795 -0.951 1.00 0.00 C ATOM 627 CG LEU A 42 8.441 -10.783 -0.366 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.471 -10.336 -1.403 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.531 -9.852 0.846 1.00 0.00 C ATOM 0 H LEU A 42 7.114 -13.210 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 42 6.258 -11.521 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.046 -11.134 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.614 -9.781 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 42 8.662 -11.806 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.464 -10.340 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.453 -11.020 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.231 -9.329 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.548 -9.863 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.269 -8.838 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.841 -10.192 1.618 1.00 0.00 H new ATOM 641 N LYS A 43 4.053 -11.901 -1.504 1.00 0.00 N ATOM 642 CA LYS A 43 2.654 -11.697 -1.859 1.00 0.00 C ATOM 643 C LYS A 43 1.698 -12.451 -0.925 1.00 0.00 C ATOM 644 O LYS A 43 0.551 -12.029 -0.771 1.00 0.00 O ATOM 645 CB LYS A 43 2.442 -12.116 -3.322 1.00 0.00 C ATOM 646 CG LYS A 43 2.908 -11.030 -4.316 1.00 0.00 C ATOM 647 CD LYS A 43 2.734 -11.508 -5.759 1.00 0.00 C ATOM 648 CE LYS A 43 3.164 -10.409 -6.734 1.00 0.00 C ATOM 649 NZ LYS A 43 2.740 -10.679 -8.119 1.00 0.00 N ATOM 0 H LYS A 43 4.570 -12.458 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 43 2.421 -10.639 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.987 -13.040 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.386 -12.328 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.335 -10.116 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.954 -10.786 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.328 -12.406 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.693 -11.777 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.745 -9.457 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.249 -10.307 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.760 -9.795 -8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.386 -11.369 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.774 -11.063 -8.118 1.00 0.00 H new ATOM 663 N GLU A 44 2.140 -13.536 -0.293 1.00 0.00 N ATOM 664 CA GLU A 44 1.372 -14.273 0.711 1.00 0.00 C ATOM 665 C GLU A 44 1.327 -13.540 2.061 1.00 0.00 C ATOM 666 O GLU A 44 0.575 -13.947 2.944 1.00 0.00 O ATOM 667 CB GLU A 44 1.983 -15.679 0.875 1.00 0.00 C ATOM 668 CG GLU A 44 1.019 -16.824 0.526 1.00 0.00 C ATOM 669 CD GLU A 44 0.044 -17.210 1.659 1.00 0.00 C ATOM 670 OE1 GLU A 44 0.413 -18.060 2.508 1.00 0.00 O ATOM 671 OE2 GLU A 44 -1.116 -16.743 1.649 1.00 0.00 O ATOM 0 H GLU A 44 3.062 -13.937 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 44 0.341 -14.352 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.867 -15.756 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.318 -15.801 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.440 -16.539 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.603 -17.703 0.252 1.00 0.00 H new ATOM 678 N GLN A 45 2.136 -12.493 2.251 1.00 0.00 N ATOM 679 CA GLN A 45 2.290 -11.780 3.520 1.00 0.00 C ATOM 680 C GLN A 45 1.831 -10.329 3.447 1.00 0.00 C ATOM 681 O GLN A 45 1.037 -9.882 4.271 1.00 0.00 O ATOM 682 CB GLN A 45 3.772 -11.821 3.909 1.00 0.00 C ATOM 683 CG GLN A 45 4.170 -13.215 4.396 1.00 0.00 C ATOM 684 CD GLN A 45 4.251 -13.289 5.917 1.00 0.00 C ATOM 685 OE1 GLN A 45 5.288 -13.616 6.480 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.177 -12.964 6.614 1.00 0.00 N ATOM 0 H GLN A 45 2.717 -12.109 1.506 1.00 0.00 H new ATOM 0 HA GLN A 45 1.661 -12.272 4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.385 -11.542 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.967 -11.088 4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.445 -13.945 4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.135 -13.486 3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.319 -12.693 6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.205 -12.984 7.633 1.00 0.00 H new ATOM 695 N LEU A 46 2.383 -9.596 2.483 1.00 0.00 N ATOM 696 CA LEU A 46 2.171 -8.169 2.277 1.00 0.00 C ATOM 697 C LEU A 46 0.998 -7.930 1.307 1.00 0.00 C ATOM 698 O LEU A 46 0.632 -6.792 0.998 1.00 0.00 O ATOM 699 CB LEU A 46 3.468 -7.595 1.677 1.00 0.00 C ATOM 700 CG LEU A 46 4.775 -7.843 2.469 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.953 -7.346 1.629 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.740 -7.200 3.850 1.00 0.00 C ATOM 0 H LEU A 46 3.018 -10.000 1.795 1.00 0.00 H new ATOM 0 HA LEU A 46 1.927 -7.683 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.593 -8.011 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.341 -6.519 1.561 1.00 0.00 H new ATOM 0 HG LEU A 46 4.889 -8.912 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.883 -7.513 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.982 -7.890 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.835 -6.281 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.678 -7.400 4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.605 -6.123 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.912 -7.616 4.424 1.00 0.00 H new ATOM 714 N GLY A 47 0.416 -9.009 0.786 1.00 0.00 N ATOM 715 CA GLY A 47 -0.641 -9.001 -0.200 1.00 0.00 C ATOM 716 C GLY A 47 -0.094 -9.088 -1.615 1.00 0.00 C ATOM 717 O GLY A 47 1.038 -8.696 -1.899 1.00 0.00 O ATOM 0 H GLY A 47 0.688 -9.953 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.314 -9.839 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.230 -8.090 -0.094 1.00 0.00 H new ATOM 721 N GLU A 48 -0.924 -9.600 -2.521 1.00 0.00 N ATOM 722 CA GLU A 48 -0.518 -9.959 -3.872 1.00 0.00 C ATOM 723 C GLU A 48 -0.087 -8.758 -4.706 1.00 0.00 C ATOM 724 O GLU A 48 0.730 -8.872 -5.618 1.00 0.00 O ATOM 725 CB GLU A 48 -1.665 -10.698 -4.559 1.00 0.00 C ATOM 726 CG GLU A 48 -1.395 -12.196 -4.680 1.00 0.00 C ATOM 727 CD GLU A 48 -2.414 -12.792 -5.634 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.592 -12.906 -5.225 1.00 0.00 O ATOM 729 OE2 GLU A 48 -2.063 -13.028 -6.808 1.00 0.00 O ATOM 0 H GLU A 48 -1.910 -9.778 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 48 0.357 -10.604 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.585 -10.541 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.823 -10.278 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.384 -12.370 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.466 -12.674 -3.703 1.00 0.00 H new ATOM 736 N GLU A 49 -0.624 -7.599 -4.365 1.00 0.00 N ATOM 737 CA GLU A 49 -0.408 -6.345 -5.055 1.00 0.00 C ATOM 738 C GLU A 49 0.937 -5.677 -4.746 1.00 0.00 C ATOM 739 O GLU A 49 1.230 -4.607 -5.289 1.00 0.00 O ATOM 740 CB GLU A 49 -1.579 -5.408 -4.704 1.00 0.00 C ATOM 741 CG GLU A 49 -1.822 -5.304 -3.177 1.00 0.00 C ATOM 742 CD GLU A 49 -2.008 -3.880 -2.660 1.00 0.00 C ATOM 743 OE1 GLU A 49 -2.961 -3.197 -3.097 1.00 0.00 O ATOM 744 OE2 GLU A 49 -1.208 -3.458 -1.797 1.00 0.00 O ATOM 0 H GLU A 49 -1.249 -7.506 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.370 -6.555 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.377 -4.415 -5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.486 -5.769 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.707 -5.888 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.979 -5.759 -2.656 1.00 0.00 H new ATOM 751 N ILE A 50 1.766 -6.287 -3.891 1.00 0.00 N ATOM 752 CA ILE A 50 3.016 -5.680 -3.459 1.00 0.00 C ATOM 753 C ILE A 50 3.932 -5.341 -4.640 1.00 0.00 C ATOM 754 O ILE A 50 4.714 -4.393 -4.558 1.00 0.00 O ATOM 755 CB ILE A 50 3.691 -6.573 -2.400 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.806 -5.827 -1.649 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.252 -7.873 -2.989 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.281 -4.662 -0.814 1.00 0.00 C ATOM 0 H ILE A 50 1.586 -7.206 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 50 2.797 -4.721 -2.989 1.00 0.00 H new ATOM 0 HB ILE A 50 2.902 -6.835 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.330 -6.527 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.535 -5.453 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.715 -8.461 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.443 -8.447 -3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.997 -7.637 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.113 -4.174 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.781 -3.944 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.574 -5.035 -0.073 1.00 0.00 H new ATOM 770 N ASP A 51 3.820 -6.065 -5.760 1.00 0.00 N ATOM 771 CA ASP A 51 4.662 -5.829 -6.925 1.00 0.00 C ATOM 772 C ASP A 51 4.482 -4.434 -7.528 1.00 0.00 C ATOM 773 O ASP A 51 5.445 -3.905 -8.090 1.00 0.00 O ATOM 774 CB ASP A 51 4.603 -6.965 -7.960 1.00 0.00 C ATOM 775 CG ASP A 51 3.319 -7.195 -8.761 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.411 -6.340 -8.773 1.00 0.00 O ATOM 777 OD2 ASP A 51 3.249 -8.280 -9.394 1.00 0.00 O ATOM 0 H ASP A 51 3.148 -6.823 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 51 5.686 -5.844 -6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.407 -6.796 -8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.832 -7.894 -7.437 1.00 0.00 H new ATOM 782 N SER A 52 3.353 -3.755 -7.300 1.00 0.00 N ATOM 783 CA SER A 52 3.187 -2.362 -7.709 1.00 0.00 C ATOM 784 C SER A 52 4.075 -1.423 -6.871 1.00 0.00 C ATOM 785 O SER A 52 4.608 -0.444 -7.398 1.00 0.00 O ATOM 786 CB SER A 52 1.699 -1.989 -7.626 1.00 0.00 C ATOM 787 OG SER A 52 1.410 -0.801 -8.346 1.00 0.00 O ATOM 0 H SER A 52 2.539 -4.153 -6.832 1.00 0.00 H new ATOM 0 HA SER A 52 3.515 -2.243 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.097 -2.808 -8.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.415 -1.859 -6.582 1.00 0.00 H new ATOM 0 HG SER A 52 0.454 -0.597 -8.271 1.00 0.00 H new ATOM 793 N LYS A 53 4.295 -1.722 -5.585 1.00 0.00 N ATOM 794 CA LYS A 53 4.990 -0.826 -4.656 1.00 0.00 C ATOM 795 C LYS A 53 6.522 -0.947 -4.769 1.00 0.00 C ATOM 796 O LYS A 53 7.237 -0.168 -4.133 1.00 0.00 O ATOM 797 CB LYS A 53 4.528 -1.098 -3.200 1.00 0.00 C ATOM 798 CG LYS A 53 3.086 -0.682 -2.830 1.00 0.00 C ATOM 799 CD LYS A 53 2.008 -1.730 -3.156 1.00 0.00 C ATOM 800 CE LYS A 53 0.561 -1.233 -3.019 1.00 0.00 C ATOM 801 NZ LYS A 53 0.119 -0.965 -1.632 1.00 0.00 N ATOM 0 H LYS A 53 3.994 -2.598 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 53 4.727 0.196 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.633 -2.165 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.212 -0.583 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.049 -0.463 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.844 0.243 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.161 -2.082 -4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.146 -2.588 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.450 -0.319 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.105 -1.975 -3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.433 -0.084 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.472 -1.753 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.951 -0.870 -1.015 1.00 0.00 H new ATOM 815 N VAL A 54 7.065 -1.917 -5.512 1.00 0.00 N ATOM 816 CA VAL A 54 8.468 -2.347 -5.398 1.00 0.00 C ATOM 817 C VAL A 54 9.263 -1.938 -6.654 1.00 0.00 C ATOM 818 O VAL A 54 8.688 -1.653 -7.712 1.00 0.00 O ATOM 819 CB VAL A 54 8.484 -3.864 -5.086 1.00 0.00 C ATOM 820 CG1 VAL A 54 9.886 -4.482 -4.979 1.00 0.00 C ATOM 821 CG2 VAL A 54 7.788 -4.192 -3.759 1.00 0.00 C ATOM 0 H VAL A 54 6.540 -2.433 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 54 8.977 -1.844 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 54 7.960 -4.288 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.799 -5.546 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.415 -4.349 -5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.440 -3.990 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.825 -5.267 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.295 -3.675 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.748 -3.868 -3.804 1.00 0.00 H new ATOM 831 N LYS A 55 10.598 -1.866 -6.555 1.00 0.00 N ATOM 832 CA LYS A 55 11.514 -1.661 -7.689 1.00 0.00 C ATOM 833 C LYS A 55 11.829 -2.979 -8.414 1.00 0.00 C ATOM 834 O LYS A 55 11.160 -3.990 -8.211 1.00 0.00 O ATOM 835 CB LYS A 55 12.803 -0.962 -7.208 1.00 0.00 C ATOM 836 CG LYS A 55 12.638 0.433 -6.583 1.00 0.00 C ATOM 837 CD LYS A 55 12.064 1.516 -7.510 1.00 0.00 C ATOM 838 CE LYS A 55 12.841 1.650 -8.825 1.00 0.00 C ATOM 839 NZ LYS A 55 12.025 1.360 -10.022 1.00 0.00 N ATOM 0 H LYS A 55 11.084 -1.951 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 55 11.018 -1.015 -8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.288 -1.608 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.481 -0.877 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.989 0.346 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.611 0.767 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.023 1.283 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.072 2.474 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.238 2.662 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.695 0.973 -8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.610 1.469 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.666 0.385 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.224 2.022 -10.065 1.00 0.00 H new ATOM 853 N GLY A 56 12.804 -2.961 -9.319 1.00 0.00 N ATOM 854 CA GLY A 56 13.301 -4.109 -10.045 1.00 0.00 C ATOM 855 C GLY A 56 14.063 -4.985 -9.067 1.00 0.00 C ATOM 856 O GLY A 56 15.168 -4.635 -8.654 1.00 0.00 O ATOM 0 H GLY A 56 13.288 -2.099 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.476 -4.664 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.951 -3.793 -10.861 1.00 0.00 H new ATOM 860 N MET A 57 13.418 -6.056 -8.614 1.00 0.00 N ATOM 861 CA MET A 57 14.049 -7.134 -7.851 1.00 0.00 C ATOM 862 C MET A 57 15.142 -7.798 -8.704 1.00 0.00 C ATOM 863 O MET A 57 14.957 -8.007 -9.909 1.00 0.00 O ATOM 864 CB MET A 57 12.961 -8.123 -7.394 1.00 0.00 C ATOM 865 CG MET A 57 13.430 -9.200 -6.401 1.00 0.00 C ATOM 866 SD MET A 57 12.156 -10.408 -5.933 1.00 0.00 S ATOM 867 CE MET A 57 10.980 -9.382 -5.002 1.00 0.00 C ATOM 0 H MET A 57 12.421 -6.204 -8.769 1.00 0.00 H new ATOM 0 HA MET A 57 14.538 -6.747 -6.957 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.149 -7.559 -6.936 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.549 -8.617 -8.274 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.275 -9.734 -6.837 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.795 -8.709 -5.499 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.003 -9.864 -4.995 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.333 -9.262 -3.978 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.898 -8.403 -5.474 1.00 0.00 H new ATOM 877 N VAL A 58 16.275 -8.141 -8.088 1.00 0.00 N ATOM 878 CA VAL A 58 17.440 -8.729 -8.749 1.00 0.00 C ATOM 879 C VAL A 58 17.984 -9.886 -7.909 1.00 0.00 C ATOM 880 O VAL A 58 17.691 -9.995 -6.718 1.00 0.00 O ATOM 881 CB VAL A 58 18.501 -7.638 -9.033 1.00 0.00 C ATOM 882 CG1 VAL A 58 17.949 -6.489 -9.886 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.118 -7.029 -7.769 1.00 0.00 C ATOM 0 H VAL A 58 16.410 -8.013 -7.085 1.00 0.00 H new ATOM 0 HA VAL A 58 17.151 -9.143 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 58 19.278 -8.172 -9.580 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.734 -5.752 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.605 -6.880 -10.844 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.115 -6.018 -9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.852 -6.273 -8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.335 -6.568 -7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.607 -7.812 -7.190 1.00 0.00 H new ATOM 893 N PHE A 59 18.768 -10.770 -8.524 1.00 0.00 N ATOM 894 CA PHE A 59 19.412 -11.876 -7.824 1.00 0.00 C ATOM 895 C PHE A 59 20.637 -11.386 -7.058 1.00 0.00 C ATOM 896 O PHE A 59 21.332 -10.481 -7.524 1.00 0.00 O ATOM 897 CB PHE A 59 19.771 -12.963 -8.839 1.00 0.00 C ATOM 898 CG PHE A 59 18.654 -13.968 -9.048 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.631 -13.754 -9.997 1.00 0.00 C ATOM 900 CD2 PHE A 59 18.625 -15.122 -8.246 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.589 -14.683 -10.150 1.00 0.00 C ATOM 902 CE2 PHE A 59 17.568 -16.039 -8.389 1.00 0.00 C ATOM 903 CZ PHE A 59 16.547 -15.818 -9.329 1.00 0.00 C ATOM 0 H PHE A 59 18.974 -10.738 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 59 18.728 -12.299 -7.088 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.016 -12.496 -9.793 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.666 -13.487 -8.502 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.650 -12.866 -10.612 1.00 0.00 H new ATOM 0 HD2 PHE A 59 19.409 -15.303 -7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.824 -14.524 -10.896 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.541 -16.923 -7.769 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.732 -16.521 -9.418 1.00 0.00 H new ATOM 913 N LEU A 60 20.908 -12.018 -5.911 1.00 0.00 N ATOM 914 CA LEU A 60 22.139 -11.851 -5.138 1.00 0.00 C ATOM 915 C LEU A 60 23.278 -12.598 -5.846 1.00 0.00 C ATOM 916 O LEU A 60 23.061 -13.313 -6.833 1.00 0.00 O ATOM 917 CB LEU A 60 21.936 -12.425 -3.713 1.00 0.00 C ATOM 918 CG LEU A 60 21.009 -11.583 -2.813 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.762 -12.312 -1.491 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.562 -10.196 -2.489 1.00 0.00 C ATOM 0 H LEU A 60 20.257 -12.678 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 60 22.390 -10.793 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.526 -13.432 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.908 -12.515 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 60 20.087 -11.451 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.106 -11.711 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.292 -13.275 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.712 -12.470 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 60 20.856 -9.662 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.515 -10.296 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 60 21.710 -9.638 -3.414 1.00 0.00 H new ATOM 932 N LYS A 61 24.479 -12.546 -5.257 1.00 0.00 N ATOM 933 CA LYS A 61 25.662 -13.313 -5.662 1.00 0.00 C ATOM 934 C LYS A 61 25.460 -14.824 -5.739 1.00 0.00 C ATOM 935 O LYS A 61 26.345 -15.538 -6.211 1.00 0.00 O ATOM 936 CB LYS A 61 26.829 -13.011 -4.706 1.00 0.00 C ATOM 937 CG LYS A 61 26.533 -13.410 -3.245 1.00 0.00 C ATOM 938 CD LYS A 61 27.766 -13.393 -2.328 1.00 0.00 C ATOM 939 CE LYS A 61 28.149 -14.828 -1.954 1.00 0.00 C ATOM 940 NZ LYS A 61 29.114 -14.884 -0.840 1.00 0.00 N ATOM 0 H LYS A 61 24.660 -11.944 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 61 25.879 -12.988 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.718 -13.541 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.058 -11.946 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 61 25.782 -12.732 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.099 -14.410 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.599 -12.903 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.554 -12.816 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.250 -15.381 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.576 -15.325 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 29.340 -15.876 -0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.984 -14.381 -1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 28.700 -14.434 0.001 1.00 0.00 H new ATOM 954 N GLY A 62 24.358 -15.340 -5.217 1.00 0.00 N ATOM 955 CA GLY A 62 24.052 -16.754 -5.178 1.00 0.00 C ATOM 956 C GLY A 62 22.597 -16.976 -5.544 1.00 0.00 C ATOM 957 O GLY A 62 21.796 -16.042 -5.616 1.00 0.00 O ATOM 0 H GLY A 62 23.630 -14.763 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.697 -17.294 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.251 -17.151 -4.182 1.00 0.00 H new ATOM 961 N LYS A 63 22.260 -18.242 -5.771 1.00 0.00 N ATOM 962 CA LYS A 63 20.925 -18.666 -6.178 1.00 0.00 C ATOM 963 C LYS A 63 20.018 -18.846 -4.960 1.00 0.00 C ATOM 964 O LYS A 63 18.896 -19.308 -5.129 1.00 0.00 O ATOM 965 CB LYS A 63 21.006 -19.964 -7.005 1.00 0.00 C ATOM 966 CG LYS A 63 21.821 -19.812 -8.300 1.00 0.00 C ATOM 967 CD LYS A 63 21.943 -21.137 -9.061 1.00 0.00 C ATOM 968 CE LYS A 63 22.822 -20.933 -10.301 1.00 0.00 C ATOM 969 NZ LYS A 63 23.099 -22.199 -11.008 1.00 0.00 N ATOM 0 H LYS A 63 22.919 -19.015 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 63 20.489 -17.888 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.452 -20.749 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.997 -20.290 -7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.348 -19.068 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 63 22.817 -19.439 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.377 -21.901 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.956 -21.492 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.329 -20.240 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.764 -20.472 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.696 -22.010 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 23.593 -22.853 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 22.203 -22.628 -11.317 1.00 0.00 H new ATOM 983 N LEU A 64 20.480 -18.542 -3.742 1.00 0.00 N ATOM 984 CA LEU A 64 19.785 -18.838 -2.486 1.00 0.00 C ATOM 985 C LEU A 64 19.324 -17.541 -1.800 1.00 0.00 C ATOM 986 O LEU A 64 19.073 -17.525 -0.589 1.00 0.00 O ATOM 987 CB LEU A 64 20.659 -19.705 -1.553 1.00 0.00 C ATOM 988 CG LEU A 64 21.503 -20.812 -2.225 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.506 -21.384 -1.220 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.604 -21.921 -2.776 1.00 0.00 C ATOM 0 H LEU A 64 21.373 -18.070 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 64 18.894 -19.421 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.334 -19.045 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.008 -20.174 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 64 22.050 -20.375 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.098 -22.164 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.166 -20.589 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.969 -21.807 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.219 -22.689 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.030 -22.363 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.921 -21.502 -3.515 1.00 0.00 H new ATOM 1002 N GLY A 65 19.229 -16.441 -2.553 1.00 0.00 N ATOM 1003 CA GLY A 65 18.565 -15.226 -2.132 1.00 0.00 C ATOM 1004 C GLY A 65 18.466 -14.244 -3.298 1.00 0.00 C ATOM 1005 O GLY A 65 19.108 -14.409 -4.335 1.00 0.00 O ATOM 0 H GLY A 65 19.624 -16.380 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.568 -15.459 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.115 -14.770 -1.309 1.00 0.00 H new ATOM 1009 N VAL A 66 17.656 -13.211 -3.127 1.00 0.00 N ATOM 1010 CA VAL A 66 17.461 -12.110 -4.067 1.00 0.00 C ATOM 1011 C VAL A 66 17.395 -10.826 -3.225 1.00 0.00 C ATOM 1012 O VAL A 66 17.317 -10.898 -1.992 1.00 0.00 O ATOM 1013 CB VAL A 66 16.238 -12.356 -4.983 1.00 0.00 C ATOM 1014 CG1 VAL A 66 16.448 -13.272 -6.189 1.00 0.00 C ATOM 1015 CG2 VAL A 66 14.878 -12.442 -4.279 1.00 0.00 C ATOM 0 H VAL A 66 17.086 -13.110 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 66 18.286 -12.019 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 66 16.159 -11.395 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.515 -13.360 -6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 66 17.218 -12.852 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.761 -14.258 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.096 -12.616 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.890 -13.264 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.680 -11.507 -3.755 1.00 0.00 H new ATOM 1025 N CYS A 67 17.421 -9.661 -3.862 1.00 0.00 N ATOM 1026 CA CYS A 67 17.253 -8.374 -3.203 1.00 0.00 C ATOM 1027 C CYS A 67 16.341 -7.478 -4.040 1.00 0.00 C ATOM 1028 O CYS A 67 16.112 -7.724 -5.228 1.00 0.00 O ATOM 1029 CB CYS A 67 18.621 -7.721 -2.952 1.00 0.00 C ATOM 1030 SG CYS A 67 19.670 -7.741 -4.433 1.00 0.00 S ATOM 0 H CYS A 67 17.562 -9.585 -4.869 1.00 0.00 H new ATOM 0 HA CYS A 67 16.779 -8.521 -2.233 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.476 -6.691 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.129 -8.244 -2.142 1.00 0.00 H new ATOM 0 HG CYS A 67 20.810 -7.176 -4.165 1.00 0.00 H new ATOM 1036 N PHE A 68 15.804 -6.437 -3.413 1.00 0.00 N ATOM 1037 CA PHE A 68 15.074 -5.369 -4.096 1.00 0.00 C ATOM 1038 C PHE A 68 15.134 -4.073 -3.293 1.00 0.00 C ATOM 1039 O PHE A 68 15.520 -4.085 -2.125 1.00 0.00 O ATOM 1040 CB PHE A 68 13.611 -5.773 -4.320 1.00 0.00 C ATOM 1041 CG PHE A 68 12.824 -6.069 -3.060 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.150 -5.042 -2.375 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.768 -7.382 -2.573 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.394 -5.337 -1.228 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.007 -7.676 -1.433 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.313 -6.657 -0.764 1.00 0.00 C ATOM 0 H PHE A 68 15.863 -6.307 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 68 15.548 -5.205 -5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.109 -4.973 -4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.588 -6.656 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.214 -4.024 -2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.312 -8.168 -3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.876 -4.547 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.955 -8.691 -1.068 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.718 -6.889 0.107 1.00 0.00 H new ATOM 1056 N ASP A 69 14.672 -2.974 -3.892 1.00 0.00 N ATOM 1057 CA ASP A 69 14.528 -1.659 -3.263 1.00 0.00 C ATOM 1058 C ASP A 69 13.040 -1.329 -3.128 1.00 0.00 C ATOM 1059 O ASP A 69 12.227 -1.696 -3.991 1.00 0.00 O ATOM 1060 CB ASP A 69 15.239 -0.575 -4.085 1.00 0.00 C ATOM 1061 CG ASP A 69 16.752 -0.620 -3.903 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.217 -0.278 -2.800 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.449 -1.025 -4.858 1.00 0.00 O ATOM 0 H ASP A 69 14.376 -2.975 -4.868 1.00 0.00 H new ATOM 0 HA ASP A 69 14.991 -1.686 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.997 -0.703 -5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 69 14.867 0.406 -3.789 1.00 0.00 H new ATOM 1068 N VAL A 70 12.672 -0.619 -2.061 1.00 0.00 N ATOM 1069 CA VAL A 70 11.333 -0.089 -1.821 1.00 0.00 C ATOM 1070 C VAL A 70 11.444 1.310 -1.222 1.00 0.00 C ATOM 1071 O VAL A 70 12.499 1.650 -0.673 1.00 0.00 O ATOM 1072 CB VAL A 70 10.518 -0.989 -0.860 1.00 0.00 C ATOM 1073 CG1 VAL A 70 9.849 -2.112 -1.637 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.283 -1.546 0.342 1.00 0.00 C ATOM 0 H VAL A 70 13.325 -0.389 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 70 10.811 -0.058 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 70 9.773 -0.326 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.279 -2.739 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.179 -1.688 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.610 -2.715 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.615 -2.161 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.118 -2.153 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.662 -0.722 0.946 1.00 0.00 H new ATOM 1084 N PRO A 71 10.355 2.101 -1.264 1.00 0.00 N ATOM 1085 CA PRO A 71 10.281 3.327 -0.497 1.00 0.00 C ATOM 1086 C PRO A 71 10.501 3.003 0.973 1.00 0.00 C ATOM 1087 O PRO A 71 9.942 2.033 1.488 1.00 0.00 O ATOM 1088 CB PRO A 71 8.882 3.899 -0.753 1.00 0.00 C ATOM 1089 CG PRO A 71 8.058 2.740 -1.290 1.00 0.00 C ATOM 1090 CD PRO A 71 9.094 1.849 -1.960 1.00 0.00 C ATOM 0 HA PRO A 71 11.041 4.055 -0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.448 4.297 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.919 4.719 -1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.534 2.216 -0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.302 3.079 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.811 0.799 -1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.181 2.082 -3.021 1.00 0.00 H new ATOM 1098 N THR A 72 11.247 3.851 1.669 1.00 0.00 N ATOM 1099 CA THR A 72 11.383 3.837 3.116 1.00 0.00 C ATOM 1100 C THR A 72 10.013 3.839 3.817 1.00 0.00 C ATOM 1101 O THR A 72 9.861 3.192 4.856 1.00 0.00 O ATOM 1102 CB THR A 72 12.273 5.034 3.487 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.568 4.867 2.940 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.445 5.238 4.981 1.00 0.00 C ATOM 0 H THR A 72 11.791 4.591 1.225 1.00 0.00 H new ATOM 0 HA THR A 72 11.854 2.918 3.464 1.00 0.00 H new ATOM 0 HB THR A 72 11.760 5.905 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.203 5.438 3.422 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.086 6.102 5.159 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.471 5.408 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.902 4.351 5.419 1.00 0.00 H new ATOM 1112 N ALA A 73 8.990 4.458 3.211 1.00 0.00 N ATOM 1113 CA ALA A 73 7.609 4.397 3.686 1.00 0.00 C ATOM 1114 C ALA A 73 7.027 2.977 3.715 1.00 0.00 C ATOM 1115 O ALA A 73 6.015 2.749 4.375 1.00 0.00 O ATOM 1116 CB ALA A 73 6.741 5.316 2.818 1.00 0.00 C ATOM 0 H ALA A 73 9.104 5.020 2.368 1.00 0.00 H new ATOM 0 HA ALA A 73 7.610 4.735 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.709 5.276 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.109 6.339 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.787 4.986 1.780 1.00 0.00 H new ATOM 1122 N SER A 74 7.655 2.027 3.025 1.00 0.00 N ATOM 1123 CA SER A 74 7.327 0.611 3.047 1.00 0.00 C ATOM 1124 C SER A 74 8.396 -0.199 3.799 1.00 0.00 C ATOM 1125 O SER A 74 8.040 -1.183 4.441 1.00 0.00 O ATOM 1126 CB SER A 74 7.122 0.141 1.605 1.00 0.00 C ATOM 1127 OG SER A 74 6.452 -1.104 1.576 1.00 0.00 O ATOM 0 H SER A 74 8.441 2.237 2.409 1.00 0.00 H new ATOM 0 HA SER A 74 6.401 0.446 3.598 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.545 0.883 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.087 0.052 1.105 1.00 0.00 H new ATOM 0 HG SER A 74 6.329 -1.387 0.646 1.00 0.00 H new ATOM 1133 N VAL A 75 9.673 0.214 3.829 1.00 0.00 N ATOM 1134 CA VAL A 75 10.744 -0.528 4.524 1.00 0.00 C ATOM 1135 C VAL A 75 10.351 -0.820 5.972 1.00 0.00 C ATOM 1136 O VAL A 75 10.514 -1.954 6.418 1.00 0.00 O ATOM 1137 CB VAL A 75 12.094 0.218 4.437 1.00 0.00 C ATOM 1138 CG1 VAL A 75 13.211 -0.467 5.236 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.602 0.331 2.994 1.00 0.00 C ATOM 0 H VAL A 75 9.994 1.069 3.374 1.00 0.00 H new ATOM 0 HA VAL A 75 10.875 -1.484 4.018 1.00 0.00 H new ATOM 0 HB VAL A 75 11.881 1.202 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.134 0.105 5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.928 -0.517 6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.366 -1.476 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.553 0.863 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.740 -0.667 2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.874 0.877 2.394 1.00 0.00 H new ATOM 1149 N THR A 76 9.747 0.139 6.673 1.00 0.00 N ATOM 1150 CA THR A 76 9.364 0.020 8.085 1.00 0.00 C ATOM 1151 C THR A 76 7.882 -0.399 8.238 1.00 0.00 C ATOM 1152 O THR A 76 7.366 -0.484 9.351 1.00 0.00 O ATOM 1153 CB THR A 76 9.724 1.348 8.777 1.00 0.00 C ATOM 1154 OG1 THR A 76 11.106 1.613 8.563 1.00 0.00 O ATOM 1155 CG2 THR A 76 9.498 1.300 10.289 1.00 0.00 C ATOM 0 H THR A 76 9.503 1.043 6.268 1.00 0.00 H new ATOM 0 HA THR A 76 9.915 -0.781 8.578 1.00 0.00 H new ATOM 0 HB THR A 76 9.081 2.119 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 76 11.348 2.457 8.997 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.767 2.261 10.728 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.448 1.089 10.493 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.117 0.516 10.725 1.00 0.00 H new ATOM 1163 N GLU A 77 7.234 -0.797 7.140 1.00 0.00 N ATOM 1164 CA GLU A 77 5.910 -1.405 7.157 1.00 0.00 C ATOM 1165 C GLU A 77 5.961 -2.875 6.702 1.00 0.00 C ATOM 1166 O GLU A 77 5.041 -3.627 6.999 1.00 0.00 O ATOM 1167 CB GLU A 77 4.997 -0.549 6.267 1.00 0.00 C ATOM 1168 CG GLU A 77 3.499 -0.708 6.559 1.00 0.00 C ATOM 1169 CD GLU A 77 2.690 0.217 5.650 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.593 1.425 5.946 1.00 0.00 O ATOM 1171 OE2 GLU A 77 2.238 -0.244 4.573 1.00 0.00 O ATOM 0 H GLU A 77 7.624 -0.702 6.202 1.00 0.00 H new ATOM 0 HA GLU A 77 5.513 -1.428 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.270 0.499 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.181 -0.807 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.197 -1.743 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.297 -0.473 7.604 1.00 0.00 H new ATOM 1178 N ILE A 78 6.981 -3.322 5.955 1.00 0.00 N ATOM 1179 CA ILE A 78 7.116 -4.705 5.464 1.00 0.00 C ATOM 1180 C ILE A 78 7.377 -5.668 6.623 1.00 0.00 C ATOM 1181 O ILE A 78 6.678 -6.667 6.764 1.00 0.00 O ATOM 1182 CB ILE A 78 8.242 -4.783 4.406 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.820 -4.080 3.102 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.621 -6.231 4.059 1.00 0.00 C ATOM 1185 CD1 ILE A 78 9.022 -3.536 2.324 1.00 0.00 C ATOM 0 H ILE A 78 7.753 -2.720 5.668 1.00 0.00 H new ATOM 0 HA ILE A 78 6.180 -5.005 4.992 1.00 0.00 H new ATOM 0 HB ILE A 78 9.104 -4.286 4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.270 -4.781 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.140 -3.261 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.415 -6.230 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.968 -6.742 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.749 -6.750 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.675 -3.049 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.558 -2.814 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.690 -4.358 2.065 1.00 0.00 H new ATOM 1197 N GLN A 79 8.399 -5.387 7.425 1.00 0.00 N ATOM 1198 CA GLN A 79 8.792 -6.174 8.584 1.00 0.00 C ATOM 1199 C GLN A 79 7.600 -6.284 9.546 1.00 0.00 C ATOM 1200 O GLN A 79 7.253 -7.383 9.967 1.00 0.00 O ATOM 1201 CB GLN A 79 10.045 -5.600 9.265 1.00 0.00 C ATOM 1202 CG GLN A 79 11.200 -5.332 8.288 1.00 0.00 C ATOM 1203 CD GLN A 79 11.944 -6.503 7.652 1.00 0.00 C ATOM 1204 OE1 GLN A 79 11.445 -7.606 7.471 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.180 -6.273 7.246 1.00 0.00 N ATOM 0 H GLN A 79 8.997 -4.574 7.278 1.00 0.00 H new ATOM 0 HA GLN A 79 9.067 -7.177 8.259 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.782 -4.670 9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.383 -6.295 10.034 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.805 -4.720 7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.937 -4.726 8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.603 -5.357 7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.711 -7.012 6.785 1.00 0.00 H new ATOM 1214 N GLU A 80 6.901 -5.176 9.822 1.00 0.00 N ATOM 1215 CA GLU A 80 5.645 -5.126 10.578 1.00 0.00 C ATOM 1216 C GLU A 80 4.486 -5.927 9.954 1.00 0.00 C ATOM 1217 O GLU A 80 3.419 -6.066 10.559 1.00 0.00 O ATOM 1218 CB GLU A 80 5.247 -3.645 10.712 1.00 0.00 C ATOM 1219 CG GLU A 80 5.791 -2.995 11.992 1.00 0.00 C ATOM 1220 CD GLU A 80 4.945 -1.801 12.441 1.00 0.00 C ATOM 1221 OE1 GLU A 80 4.616 -0.911 11.625 1.00 0.00 O ATOM 1222 OE2 GLU A 80 4.554 -1.761 13.634 1.00 0.00 O ATOM 0 H GLU A 80 7.208 -4.254 9.512 1.00 0.00 H new ATOM 0 HA GLU A 80 5.824 -5.599 11.544 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.615 -3.095 9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.160 -3.564 10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.820 -3.737 12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.817 -2.668 11.823 1.00 0.00 H new ATOM 1229 N LYS A 81 4.643 -6.457 8.744 1.00 0.00 N ATOM 1230 CA LYS A 81 3.622 -7.198 8.006 1.00 0.00 C ATOM 1231 C LYS A 81 4.124 -8.569 7.562 1.00 0.00 C ATOM 1232 O LYS A 81 3.486 -9.203 6.718 1.00 0.00 O ATOM 1233 CB LYS A 81 3.157 -6.335 6.819 1.00 0.00 C ATOM 1234 CG LYS A 81 2.321 -5.100 7.199 1.00 0.00 C ATOM 1235 CD LYS A 81 0.809 -5.369 7.238 1.00 0.00 C ATOM 1236 CE LYS A 81 0.401 -6.495 8.185 1.00 0.00 C ATOM 1237 NZ LYS A 81 0.751 -6.193 9.597 1.00 0.00 N ATOM 0 H LYS A 81 5.520 -6.379 8.229 1.00 0.00 H new ATOM 0 HA LYS A 81 2.772 -7.396 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.035 -6.004 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.570 -6.958 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.643 -4.740 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.521 -4.302 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.296 -4.455 7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.468 -5.613 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.673 -6.663 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.891 -7.420 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.503 -7.005 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.772 -6.008 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.224 -5.354 9.914 1.00 0.00 H new ATOM 1251 N TRP A 82 5.207 -9.059 8.149 1.00 0.00 N ATOM 1252 CA TRP A 82 5.847 -10.306 7.788 1.00 0.00 C ATOM 1253 C TRP A 82 6.239 -11.062 9.059 1.00 0.00 C ATOM 1254 O TRP A 82 6.783 -10.466 9.991 1.00 0.00 O ATOM 1255 CB TRP A 82 7.050 -9.962 6.906 1.00 0.00 C ATOM 1256 CG TRP A 82 7.973 -11.095 6.623 1.00 0.00 C ATOM 1257 CD1 TRP A 82 8.833 -11.615 7.527 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.086 -11.918 5.422 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.485 -12.682 6.970 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.068 -12.917 5.683 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.470 -11.938 4.147 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.436 -13.881 4.742 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.816 -12.926 3.199 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.794 -13.896 3.495 1.00 0.00 C ATOM 0 H TRP A 82 5.677 -8.578 8.916 1.00 0.00 H new ATOM 0 HA TRP A 82 5.181 -10.963 7.229 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.684 -9.567 5.958 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.616 -9.164 7.387 1.00 0.00 H new ATOM 0 HD1 TRP A 82 8.982 -11.246 8.531 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.194 -13.235 7.452 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.730 -11.192 3.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.204 -14.605 4.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.326 -12.938 2.237 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.049 -14.649 2.764 1.00 0.00 H new ATOM 1275 N HIS A 83 6.043 -12.378 9.080 1.00 0.00 N ATOM 1276 CA HIS A 83 6.468 -13.288 10.123 1.00 0.00 C ATOM 1277 C HIS A 83 7.537 -14.211 9.553 1.00 0.00 C ATOM 1278 O HIS A 83 7.444 -14.652 8.410 1.00 0.00 O ATOM 1279 CB HIS A 83 5.251 -14.104 10.581 1.00 0.00 C ATOM 1280 CG HIS A 83 4.640 -13.571 11.840 1.00 0.00 C ATOM 1281 ND1 HIS A 83 3.570 -12.714 12.001 1.00 0.00 N ATOM 1282 CD2 HIS A 83 5.172 -13.817 13.063 1.00 0.00 C ATOM 1283 CE1 HIS A 83 3.440 -12.470 13.321 1.00 0.00 C ATOM 1284 NE2 HIS A 83 4.373 -13.158 14.006 1.00 0.00 N ATOM 0 H HIS A 83 5.555 -12.858 8.324 1.00 0.00 H new ATOM 0 HA HIS A 83 6.879 -12.744 10.974 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.501 -14.106 9.790 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.551 -15.140 10.738 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.049 -14.411 13.271 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.699 -11.820 13.762 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.478 -13.193 15.020 1.00 0.00 H new ATOM 1292 N ASP A 84 8.530 -14.569 10.361 1.00 0.00 N ATOM 1293 CA ASP A 84 9.386 -15.721 10.095 1.00 0.00 C ATOM 1294 C ASP A 84 8.539 -16.982 9.870 1.00 0.00 C ATOM 1295 O ASP A 84 7.583 -17.253 10.603 1.00 0.00 O ATOM 1296 CB ASP A 84 10.461 -15.900 11.178 1.00 0.00 C ATOM 1297 CG ASP A 84 9.960 -16.686 12.394 1.00 0.00 C ATOM 1298 OD1 ASP A 84 9.303 -16.096 13.279 1.00 0.00 O ATOM 1299 OD2 ASP A 84 10.214 -17.913 12.455 1.00 0.00 O ATOM 0 H ASP A 84 8.764 -14.069 11.219 1.00 0.00 H new ATOM 0 HA ASP A 84 9.933 -15.536 9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.320 -16.415 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.808 -14.919 11.504 1.00 0.00 H new ATOM 1304 N SER A 85 8.871 -17.713 8.805 1.00 0.00 N ATOM 1305 CA SER A 85 8.139 -18.851 8.264 1.00 0.00 C ATOM 1306 C SER A 85 9.094 -20.028 8.121 1.00 0.00 C ATOM 1307 O SER A 85 10.312 -19.860 8.210 1.00 0.00 O ATOM 1308 CB SER A 85 7.506 -18.532 6.888 1.00 0.00 C ATOM 1309 OG SER A 85 7.095 -17.188 6.725 1.00 0.00 O ATOM 0 H SER A 85 9.713 -17.510 8.265 1.00 0.00 H new ATOM 0 HA SER A 85 7.328 -19.092 8.952 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.226 -18.775 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.644 -19.182 6.740 1.00 0.00 H new ATOM 0 HG SER A 85 6.709 -17.070 5.832 1.00 0.00 H new ATOM 1315 N ARG A 86 8.560 -21.202 7.777 1.00 0.00 N ATOM 1316 CA ARG A 86 9.270 -22.482 7.701 1.00 0.00 C ATOM 1317 C ARG A 86 10.491 -22.565 6.773 1.00 0.00 C ATOM 1318 O ARG A 86 11.156 -23.606 6.788 1.00 0.00 O ATOM 1319 CB ARG A 86 8.228 -23.568 7.346 1.00 0.00 C ATOM 1320 CG ARG A 86 7.857 -24.380 8.586 1.00 0.00 C ATOM 1321 CD ARG A 86 8.887 -25.490 8.824 1.00 0.00 C ATOM 1322 NE ARG A 86 9.128 -25.784 10.241 1.00 0.00 N ATOM 1323 CZ ARG A 86 8.249 -25.984 11.225 1.00 0.00 C ATOM 1324 NH1 ARG A 86 6.934 -25.935 11.026 1.00 0.00 N ATOM 1325 NH2 ARG A 86 8.737 -26.241 12.429 1.00 0.00 N ATOM 0 H ARG A 86 7.574 -21.291 7.532 1.00 0.00 H new ATOM 0 HA ARG A 86 9.725 -22.629 8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.335 -23.101 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.630 -24.229 6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.810 -23.726 9.457 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.866 -24.815 8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.548 -26.399 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.829 -25.204 8.357 1.00 0.00 H new ATOM 0 HE ARG A 86 10.109 -25.844 10.513 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.566 -25.739 10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.294 -26.094 11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.746 -26.279 12.573 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.104 -26.401 13.213 1.00 0.00 H new ATOM 1339 N ARG A 87 10.798 -21.539 5.967 1.00 0.00 N ATOM 1340 CA ARG A 87 11.930 -21.573 5.036 1.00 0.00 C ATOM 1341 C ARG A 87 12.537 -20.200 4.701 1.00 0.00 C ATOM 1342 O ARG A 87 13.554 -20.124 4.005 1.00 0.00 O ATOM 1343 CB ARG A 87 11.468 -22.288 3.754 1.00 0.00 C ATOM 1344 CG ARG A 87 12.654 -22.957 3.061 1.00 0.00 C ATOM 1345 CD ARG A 87 12.525 -22.929 1.542 1.00 0.00 C ATOM 1346 NE ARG A 87 11.381 -23.717 1.052 1.00 0.00 N ATOM 1347 CZ ARG A 87 11.265 -25.050 1.109 1.00 0.00 C ATOM 1348 NH1 ARG A 87 12.262 -25.806 1.566 1.00 0.00 N ATOM 1349 NH2 ARG A 87 10.141 -25.615 0.714 1.00 0.00 N ATOM 0 H ARG A 87 10.270 -20.667 5.943 1.00 0.00 H new ATOM 0 HA ARG A 87 12.738 -22.111 5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.713 -23.035 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.001 -21.571 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.575 -22.454 3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.734 -23.991 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.418 -21.896 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.443 -23.314 1.097 1.00 0.00 H new ATOM 0 HE ARG A 87 10.608 -23.201 0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.130 -25.371 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.158 -26.820 1.603 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.373 -25.038 0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.039 -26.629 0.752 1.00 0.00 H new ATOM 1363 N TRP A 88 11.928 -19.102 5.134 1.00 0.00 N ATOM 1364 CA TRP A 88 12.215 -17.763 4.636 1.00 0.00 C ATOM 1365 C TRP A 88 12.657 -16.929 5.837 1.00 0.00 C ATOM 1366 O TRP A 88 12.040 -17.003 6.896 1.00 0.00 O ATOM 1367 CB TRP A 88 10.989 -17.270 3.851 1.00 0.00 C ATOM 1368 CG TRP A 88 10.834 -17.948 2.508 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.190 -19.117 2.295 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.286 -17.519 1.179 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.290 -19.482 0.970 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.976 -18.545 0.238 1.00 0.00 C ATOM 1373 CE3 TRP A 88 11.897 -16.360 0.648 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.326 -18.458 -1.117 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.283 -16.268 -0.702 1.00 0.00 C ATOM 1376 CH2 TRP A 88 12.013 -17.325 -1.583 1.00 0.00 C ATOM 0 H TRP A 88 11.207 -19.119 5.855 1.00 0.00 H new ATOM 0 HA TRP A 88 13.034 -17.702 3.919 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.091 -17.443 4.445 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.070 -16.193 3.701 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.671 -19.684 3.054 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.902 -20.342 0.581 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.073 -15.517 1.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 11.069 -19.256 -1.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.788 -15.383 -1.060 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.331 -17.268 -2.613 1.00 0.00 H new ATOM 1387 N GLN A 89 13.796 -16.237 5.734 1.00 0.00 N ATOM 1388 CA GLN A 89 14.289 -15.257 6.692 1.00 0.00 C ATOM 1389 C GLN A 89 14.493 -13.926 5.959 1.00 0.00 C ATOM 1390 O GLN A 89 15.366 -13.815 5.092 1.00 0.00 O ATOM 1391 CB GLN A 89 15.509 -15.778 7.485 1.00 0.00 C ATOM 1392 CG GLN A 89 15.075 -16.658 8.680 1.00 0.00 C ATOM 1393 CD GLN A 89 15.290 -18.172 8.507 1.00 0.00 C ATOM 1394 OE1 GLN A 89 14.695 -18.783 7.504 1.00 0.00 O flip ATOM 1395 NE2 GLN A 89 15.946 -18.844 9.300 1.00 0.00 N flip ATOM 0 H GLN A 89 14.426 -16.355 4.940 1.00 0.00 H new ATOM 0 HA GLN A 89 13.554 -15.078 7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.155 -16.355 6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.096 -14.934 7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.621 -16.331 9.565 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.017 -16.480 8.874 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.416 -18.392 10.085 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.021 -19.853 9.173 1.00 0.00 H new ATOM 1404 N LEU A 90 13.587 -12.959 6.162 1.00 0.00 N ATOM 1405 CA LEU A 90 13.705 -11.613 5.588 1.00 0.00 C ATOM 1406 C LEU A 90 14.812 -10.847 6.312 1.00 0.00 C ATOM 1407 O LEU A 90 15.102 -11.144 7.473 1.00 0.00 O ATOM 1408 CB LEU A 90 12.376 -10.821 5.681 1.00 0.00 C ATOM 1409 CG LEU A 90 11.897 -10.341 4.300 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.293 -11.487 3.488 1.00 0.00 C ATOM 1411 CD2 LEU A 90 10.835 -9.236 4.374 1.00 0.00 C ATOM 0 H LEU A 90 12.750 -13.090 6.730 1.00 0.00 H new ATOM 0 HA LEU A 90 13.949 -11.722 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.609 -11.450 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.511 -9.961 6.338 1.00 0.00 H new ATOM 0 HG LEU A 90 12.793 -9.947 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.965 -11.112 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.043 -12.264 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.440 -11.902 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.542 -8.945 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.962 -9.605 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.245 -8.372 4.897 1.00 0.00 H new ATOM 1423 N SER A 91 15.434 -9.859 5.659 1.00 0.00 N ATOM 1424 CA SER A 91 16.425 -8.985 6.279 1.00 0.00 C ATOM 1425 C SER A 91 16.466 -7.663 5.510 1.00 0.00 C ATOM 1426 O SER A 91 15.772 -7.523 4.503 1.00 0.00 O ATOM 1427 CB SER A 91 17.789 -9.686 6.300 1.00 0.00 C ATOM 1428 OG SER A 91 17.705 -10.953 6.947 1.00 0.00 O ATOM 0 H SER A 91 15.259 -9.645 4.677 1.00 0.00 H new ATOM 0 HA SER A 91 16.157 -8.768 7.313 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.149 -9.818 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.516 -9.058 6.816 1.00 0.00 H new ATOM 0 HG SER A 91 16.900 -10.983 7.505 1.00 0.00 H new ATOM 1434 N VAL A 92 17.234 -6.677 5.965 1.00 0.00 N ATOM 1435 CA VAL A 92 17.336 -5.370 5.324 1.00 0.00 C ATOM 1436 C VAL A 92 18.819 -5.090 5.089 1.00 0.00 C ATOM 1437 O VAL A 92 19.672 -5.568 5.842 1.00 0.00 O ATOM 1438 CB VAL A 92 16.615 -4.313 6.182 1.00 0.00 C ATOM 1439 CG1 VAL A 92 17.348 -3.967 7.483 1.00 0.00 C ATOM 1440 CG2 VAL A 92 16.339 -3.035 5.392 1.00 0.00 C ATOM 0 H VAL A 92 17.811 -6.765 6.801 1.00 0.00 H new ATOM 0 HA VAL A 92 16.838 -5.340 4.355 1.00 0.00 H new ATOM 0 HB VAL A 92 15.669 -4.778 6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.780 -3.217 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.449 -4.864 8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 92 18.337 -3.574 7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.830 -2.315 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.281 -2.610 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.709 -3.267 4.533 1.00 0.00 H new ATOM 1450 N ALA A 93 19.136 -4.327 4.048 1.00 0.00 N ATOM 1451 CA ALA A 93 20.507 -4.018 3.679 1.00 0.00 C ATOM 1452 C ALA A 93 20.990 -2.899 4.604 1.00 0.00 C ATOM 1453 O ALA A 93 20.555 -1.748 4.476 1.00 0.00 O ATOM 1454 CB ALA A 93 20.563 -3.625 2.204 1.00 0.00 C ATOM 0 H ALA A 93 18.441 -3.904 3.434 1.00 0.00 H new ATOM 0 HA ALA A 93 21.164 -4.880 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.592 -3.393 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.201 -4.452 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.936 -2.749 2.037 1.00 0.00 H new ATOM 1460 N THR A 94 21.803 -3.230 5.610 1.00 0.00 N ATOM 1461 CA THR A 94 22.501 -2.218 6.403 1.00 0.00 C ATOM 1462 C THR A 94 23.646 -1.628 5.564 1.00 0.00 C ATOM 1463 O THR A 94 23.708 -0.407 5.374 1.00 0.00 O ATOM 1464 CB THR A 94 23.007 -2.821 7.726 1.00 0.00 C ATOM 1465 OG1 THR A 94 21.931 -3.398 8.444 1.00 0.00 O ATOM 1466 CG2 THR A 94 23.627 -1.772 8.653 1.00 0.00 C ATOM 0 H THR A 94 21.993 -4.191 5.894 1.00 0.00 H new ATOM 0 HA THR A 94 21.815 -1.413 6.666 1.00 0.00 H new ATOM 0 HB THR A 94 23.760 -3.558 7.447 1.00 0.00 H new ATOM 0 HG1 THR A 94 22.265 -3.780 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 94 23.967 -2.253 9.571 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.475 -1.301 8.155 1.00 0.00 H new ATOM 0 HG23 THR A 94 22.882 -1.014 8.895 1.00 0.00 H new ATOM 1474 N GLU A 95 24.524 -2.480 5.026 1.00 0.00 N ATOM 1475 CA GLU A 95 25.529 -2.053 4.057 1.00 0.00 C ATOM 1476 C GLU A 95 24.902 -1.950 2.669 1.00 0.00 C ATOM 1477 O GLU A 95 25.471 -1.200 1.848 1.00 0.00 O ATOM 1478 CB GLU A 95 26.785 -2.942 4.111 1.00 0.00 C ATOM 1479 CG GLU A 95 26.656 -4.400 3.610 1.00 0.00 C ATOM 1480 CD GLU A 95 28.034 -5.119 3.569 1.00 0.00 C ATOM 1481 OE1 GLU A 95 28.978 -4.589 2.929 1.00 0.00 O ATOM 1482 OE2 GLU A 95 28.199 -6.201 4.188 1.00 0.00 O ATOM 0 H GLU A 95 24.556 -3.475 5.249 1.00 0.00 H new ATOM 0 HA GLU A 95 25.881 -1.055 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 95 27.566 -2.455 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 95 27.131 -2.972 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 95 25.978 -4.950 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 95 26.214 -4.405 2.614 1.00 0.00 H new TER 1489 GLU A 95