USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 713 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 77 TYR OH : rot 150:sc= -1.36 USER MOD Set 1.2: A 80 GLN : amide:sc= -4.87! C(o=-6.2!,f=0.71!) USER MOD Set 2.1: A 13 MET CE :methyl 168:sc= -2.57! (180deg=-3.63!) USER MOD Set 2.2: A 72 HIS : no HE2:sc= -4.73 K(o=-7.3,f=-9.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0241 (180deg=-0.32) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= 1.02 (180deg=-0.427) USER MOD Single : A 10 ASN : amide:sc= -0.55 K(o=-0.55,f=-2.6!) USER MOD Single : A 14 SER OG : rot -68:sc= 0.842 USER MOD Single : A 17 MET CE :methyl 142:sc= -0.0324 (180deg=-2.55!) USER MOD Single : A 18 GLN : amide:sc= -11.4! C(o=-11!,f=-22!) USER MOD Single : A 19 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 24 CYS SG : rot 10:sc= -2.89 USER MOD Single : A 26 THR OG1 : rot 64:sc= 1.31 USER MOD Single : A 27 GLN : amide:sc= -0.943 K(o=-0.94,f=0) USER MOD Single : A 29 MET CE :methyl -160:sc= -0.223 (180deg=-0.778) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.015) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 130:sc= 0.973 (180deg=-1.09) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -0.0203 (180deg=-0.161) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0179 (180deg=-0.249) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.0227 (180deg=-0.218) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.9) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.826 USER MOD Single : A 55 HIS : no HD1:sc= -0.0932 X(o=-0.093,f=-0.54) USER MOD Single : A 56 CYS SG : rot 140:sc= -1.73 USER MOD Single : A 61 ASN : amide:sc= -4.94! C(o=-4.9!,f=-1.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-2) USER MOD Single : A 70 THR OG1 : rot 70:sc= -2.34! USER MOD Single : A 71 LYS NZ :NH3+ -134:sc= -0.0867 (180deg=-0.458) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0342 USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.119 (180deg=-0.563) USER MOD Single : A 88 SER OG : rot 51:sc= 0.658 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.918 17.578 2.492 1.00 0.00 N ATOM 2 CA MET A 1 13.695 17.767 3.316 1.00 0.00 C ATOM 3 C MET A 1 12.651 16.698 3.007 1.00 0.00 C ATOM 4 O MET A 1 12.555 16.219 1.877 1.00 0.00 O ATOM 5 CB MET A 1 13.126 19.157 3.032 1.00 0.00 C ATOM 6 CG MET A 1 14.084 20.288 3.369 1.00 0.00 C ATOM 7 SD MET A 1 14.551 20.304 5.110 1.00 0.00 S ATOM 8 CE MET A 1 15.648 21.720 5.154 1.00 0.00 C ATOM 0 H1 MET A 1 15.690 18.157 2.879 1.00 0.00 H new ATOM 0 H2 MET A 1 15.195 16.576 2.507 1.00 0.00 H new ATOM 0 H3 MET A 1 14.725 17.869 1.512 1.00 0.00 H new ATOM 0 HA MET A 1 13.957 17.676 4.370 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.857 19.222 1.978 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.207 19.288 3.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.981 20.194 2.757 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.621 21.241 3.112 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.021 21.860 6.169 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.487 21.551 4.479 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.104 22.611 4.841 1.00 0.00 H new ATOM 20 N SER A 2 11.872 16.330 4.018 1.00 0.00 N ATOM 21 CA SER A 2 10.834 15.318 3.855 1.00 0.00 C ATOM 22 C SER A 2 9.786 15.433 4.957 1.00 0.00 C ATOM 23 O SER A 2 10.113 15.405 6.143 1.00 0.00 O ATOM 24 CB SER A 2 11.450 13.918 3.866 1.00 0.00 C ATOM 25 OG SER A 2 10.454 12.921 3.706 1.00 0.00 O ATOM 0 H SER A 2 11.939 16.717 4.959 1.00 0.00 H new ATOM 0 HA SER A 2 10.346 15.485 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.185 13.834 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.981 13.758 4.804 1.00 0.00 H new ATOM 0 HG SER A 2 10.873 12.035 3.715 1.00 0.00 H new ATOM 31 N ASP A 3 8.525 15.566 4.558 1.00 0.00 N ATOM 32 CA ASP A 3 7.432 15.687 5.512 1.00 0.00 C ATOM 33 C ASP A 3 6.816 14.322 5.813 1.00 0.00 C ATOM 34 O ASP A 3 5.597 14.159 5.769 1.00 0.00 O ATOM 35 CB ASP A 3 6.362 16.640 4.973 1.00 0.00 C ATOM 36 CG ASP A 3 5.224 16.857 5.954 1.00 0.00 C ATOM 37 OD1 ASP A 3 5.268 16.268 7.055 1.00 0.00 O ATOM 38 OD2 ASP A 3 4.290 17.614 5.621 1.00 0.00 O ATOM 0 H ASP A 3 8.236 15.593 3.580 1.00 0.00 H new ATOM 0 HA ASP A 3 7.835 16.093 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.821 17.600 4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.962 16.241 4.041 1.00 0.00 H new ATOM 43 N ARG A 4 7.675 13.344 6.101 1.00 0.00 N ATOM 44 CA ARG A 4 7.245 11.984 6.397 1.00 0.00 C ATOM 45 C ARG A 4 6.904 11.251 5.122 1.00 0.00 C ATOM 46 O ARG A 4 5.901 11.539 4.467 1.00 0.00 O ATOM 47 CB ARG A 4 6.067 11.959 7.372 1.00 0.00 C ATOM 48 CG ARG A 4 6.487 12.239 8.799 1.00 0.00 C ATOM 49 CD ARG A 4 5.287 12.355 9.726 1.00 0.00 C ATOM 50 NE ARG A 4 4.426 11.176 9.663 1.00 0.00 N ATOM 51 CZ ARG A 4 3.338 11.010 10.413 1.00 0.00 C ATOM 52 NH1 ARG A 4 2.983 11.938 11.293 1.00 0.00 N ATOM 53 NH2 ARG A 4 2.607 9.911 10.285 1.00 0.00 N ATOM 0 H ARG A 4 8.686 13.475 6.135 1.00 0.00 H new ATOM 0 HA ARG A 4 8.076 11.472 6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.328 12.698 7.063 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.581 10.984 7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.141 11.441 9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.064 13.163 8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.633 12.496 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.709 13.240 9.460 1.00 0.00 H new ATOM 0 HE ARG A 4 4.673 10.436 9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.544 12.783 11.397 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.149 11.806 11.865 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.878 9.194 9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.774 9.783 10.859 1.00 0.00 H new ATOM 67 N LYS A 5 7.758 10.307 4.768 1.00 0.00 N ATOM 68 CA LYS A 5 7.565 9.535 3.558 1.00 0.00 C ATOM 69 C LYS A 5 7.478 8.040 3.865 1.00 0.00 C ATOM 70 O LYS A 5 7.810 7.202 3.029 1.00 0.00 O ATOM 71 CB LYS A 5 8.702 9.810 2.568 1.00 0.00 C ATOM 72 CG LYS A 5 8.487 9.202 1.191 1.00 0.00 C ATOM 73 CD LYS A 5 9.615 9.567 0.239 1.00 0.00 C ATOM 74 CE LYS A 5 9.398 8.966 -1.140 1.00 0.00 C ATOM 75 NZ LYS A 5 10.496 9.321 -2.081 1.00 0.00 N ATOM 0 H LYS A 5 8.591 10.058 5.302 1.00 0.00 H new ATOM 0 HA LYS A 5 6.621 9.841 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.824 10.888 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.632 9.423 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.419 8.118 1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.538 9.549 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.686 10.652 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.563 9.215 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.329 7.881 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.448 9.316 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.310 8.892 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.546 10.355 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.400 8.965 -1.710 1.00 0.00 H new ATOM 89 N ALA A 6 7.023 7.714 5.071 1.00 0.00 N ATOM 90 CA ALA A 6 6.888 6.320 5.491 1.00 0.00 C ATOM 91 C ALA A 6 6.603 6.218 6.987 1.00 0.00 C ATOM 92 O ALA A 6 7.504 6.377 7.809 1.00 0.00 O ATOM 93 CB ALA A 6 8.142 5.529 5.144 1.00 0.00 C ATOM 0 H ALA A 6 6.741 8.395 5.776 1.00 0.00 H new ATOM 0 HA ALA A 6 6.042 5.894 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.020 4.495 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.304 5.558 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.001 5.968 5.652 1.00 0.00 H new ATOM 99 N VAL A 7 5.347 5.946 7.329 1.00 0.00 N ATOM 100 CA VAL A 7 4.947 5.818 8.726 1.00 0.00 C ATOM 101 C VAL A 7 3.803 4.822 8.880 1.00 0.00 C ATOM 102 O VAL A 7 2.666 5.105 8.504 1.00 0.00 O ATOM 103 CB VAL A 7 4.514 7.176 9.314 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.109 7.032 10.776 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.624 8.204 9.162 1.00 0.00 C ATOM 0 H VAL A 7 4.590 5.810 6.659 1.00 0.00 H new ATOM 0 HA VAL A 7 5.818 5.455 9.273 1.00 0.00 H new ATOM 0 HB VAL A 7 3.645 7.525 8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.808 8.004 11.168 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.275 6.334 10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.954 6.655 11.352 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.299 9.155 9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.514 7.859 9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.856 8.335 8.105 1.00 0.00 H new ATOM 115 N ILE A 8 4.109 3.657 9.440 1.00 0.00 N ATOM 116 CA ILE A 8 3.103 2.624 9.648 1.00 0.00 C ATOM 117 C ILE A 8 2.369 2.837 10.969 1.00 0.00 C ATOM 118 O ILE A 8 2.966 2.756 12.043 1.00 0.00 O ATOM 119 CB ILE A 8 3.731 1.213 9.638 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.396 0.932 8.289 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.677 0.155 9.940 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.055 -0.425 8.220 1.00 0.00 C ATOM 0 H ILE A 8 5.045 3.405 9.758 1.00 0.00 H new ATOM 0 HA ILE A 8 2.394 2.699 8.824 1.00 0.00 H new ATOM 0 HB ILE A 8 4.494 1.172 10.416 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.647 1.005 7.500 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.143 1.701 8.092 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.139 -0.832 9.928 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.245 0.342 10.923 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.892 0.197 9.185 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.507 -0.560 7.237 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.826 -0.494 8.987 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.308 -1.201 8.386 1.00 0.00 H new ATOM 134 N LYS A 9 1.071 3.104 10.881 1.00 0.00 N ATOM 135 CA LYS A 9 0.251 3.321 12.069 1.00 0.00 C ATOM 136 C LYS A 9 -0.237 1.993 12.634 1.00 0.00 C ATOM 137 O LYS A 9 -0.422 1.851 13.844 1.00 0.00 O ATOM 138 CB LYS A 9 -0.944 4.220 11.743 1.00 0.00 C ATOM 139 CG LYS A 9 -0.576 5.676 11.502 1.00 0.00 C ATOM 140 CD LYS A 9 0.388 5.834 10.338 1.00 0.00 C ATOM 141 CE LYS A 9 0.696 7.298 10.067 1.00 0.00 C ATOM 142 NZ LYS A 9 -0.530 8.069 9.720 1.00 0.00 N ATOM 0 H LYS A 9 0.563 3.176 9.999 1.00 0.00 H new ATOM 0 HA LYS A 9 0.868 3.816 12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.447 3.832 10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.659 4.168 12.564 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.481 6.251 11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.126 6.090 12.404 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.313 5.300 10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.040 5.379 9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.165 7.739 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.415 7.373 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.318 8.728 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.280 7.413 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.850 8.605 10.552 1.00 0.00 H new ATOM 156 N ASN A 10 -0.436 1.024 11.751 1.00 0.00 N ATOM 157 CA ASN A 10 -0.897 -0.298 12.151 1.00 0.00 C ATOM 158 C ASN A 10 -0.847 -1.261 10.971 1.00 0.00 C ATOM 159 O ASN A 10 -1.602 -1.120 10.009 1.00 0.00 O ATOM 160 CB ASN A 10 -2.320 -0.225 12.709 1.00 0.00 C ATOM 161 CG ASN A 10 -2.835 -1.581 13.151 1.00 0.00 C ATOM 162 OD1 ASN A 10 -2.963 -2.501 12.343 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.127 -1.714 14.438 1.00 0.00 N ATOM 0 H ASN A 10 -0.284 1.130 10.748 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.234 -0.668 12.933 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.342 0.463 13.554 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.986 0.184 11.949 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.473 -2.606 14.793 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.006 -0.925 15.073 1.00 0.00 H new ATOM 170 N ALA A 11 0.049 -2.237 11.051 1.00 0.00 N ATOM 171 CA ALA A 11 0.202 -3.220 9.988 1.00 0.00 C ATOM 172 C ALA A 11 0.237 -4.634 10.552 1.00 0.00 C ATOM 173 O ALA A 11 1.233 -5.054 11.141 1.00 0.00 O ATOM 174 CB ALA A 11 1.463 -2.939 9.187 1.00 0.00 C ATOM 0 H ALA A 11 0.680 -2.368 11.841 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.660 -3.141 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.565 -3.682 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.399 -1.945 8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.331 -2.989 9.845 1.00 0.00 H new ATOM 180 N ASP A 12 -0.854 -5.366 10.366 1.00 0.00 N ATOM 181 CA ASP A 12 -0.946 -6.735 10.854 1.00 0.00 C ATOM 182 C ASP A 12 -0.181 -7.699 9.947 1.00 0.00 C ATOM 183 O ASP A 12 -0.074 -8.889 10.248 1.00 0.00 O ATOM 184 CB ASP A 12 -2.410 -7.163 10.960 1.00 0.00 C ATOM 185 CG ASP A 12 -3.135 -7.082 9.632 1.00 0.00 C ATOM 186 OD1 ASP A 12 -3.179 -5.980 9.046 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.658 -8.119 9.178 1.00 0.00 O ATOM 0 H ASP A 12 -1.687 -5.034 9.881 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.492 -6.769 11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.460 -8.185 11.336 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.919 -6.530 11.687 1.00 0.00 H new ATOM 192 N MET A 13 0.356 -7.187 8.840 1.00 0.00 N ATOM 193 CA MET A 13 1.109 -8.015 7.909 1.00 0.00 C ATOM 194 C MET A 13 2.492 -8.331 8.485 1.00 0.00 C ATOM 195 O MET A 13 2.920 -7.713 9.459 1.00 0.00 O ATOM 196 CB MET A 13 1.226 -7.309 6.553 1.00 0.00 C ATOM 197 CG MET A 13 1.926 -8.126 5.483 1.00 0.00 C ATOM 198 SD MET A 13 1.080 -9.676 5.122 1.00 0.00 S ATOM 199 CE MET A 13 -0.517 -9.071 4.582 1.00 0.00 C ATOM 0 H MET A 13 0.282 -6.206 8.570 1.00 0.00 H new ATOM 0 HA MET A 13 0.580 -8.956 7.759 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.226 -7.053 6.202 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.766 -6.372 6.690 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.997 -7.535 4.570 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.945 -8.340 5.805 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.079 -9.885 4.124 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.069 -8.686 5.439 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.376 -8.273 3.853 1.00 0.00 H new ATOM 209 N SER A 14 3.177 -9.306 7.892 1.00 0.00 N ATOM 210 CA SER A 14 4.499 -9.714 8.360 1.00 0.00 C ATOM 211 C SER A 14 5.440 -8.521 8.526 1.00 0.00 C ATOM 212 O SER A 14 5.439 -7.859 9.564 1.00 0.00 O ATOM 213 CB SER A 14 5.101 -10.745 7.402 1.00 0.00 C ATOM 214 OG SER A 14 5.234 -10.212 6.094 1.00 0.00 O ATOM 0 H SER A 14 2.837 -9.829 7.085 1.00 0.00 H new ATOM 0 HA SER A 14 4.377 -10.168 9.344 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.077 -11.061 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.468 -11.632 7.374 1.00 0.00 H new ATOM 0 HG SER A 14 4.345 -10.063 5.709 1.00 0.00 H new ATOM 220 N GLU A 15 6.238 -8.257 7.501 1.00 0.00 N ATOM 221 CA GLU A 15 7.196 -7.155 7.519 1.00 0.00 C ATOM 222 C GLU A 15 7.657 -6.835 6.101 1.00 0.00 C ATOM 223 O GLU A 15 7.872 -5.672 5.737 1.00 0.00 O ATOM 224 CB GLU A 15 8.416 -7.508 8.379 1.00 0.00 C ATOM 225 CG GLU A 15 8.090 -7.801 9.834 1.00 0.00 C ATOM 226 CD GLU A 15 9.332 -8.034 10.673 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.172 -7.113 10.756 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.464 -9.137 11.244 1.00 0.00 O ATOM 0 H GLU A 15 6.242 -8.797 6.636 1.00 0.00 H new ATOM 0 HA GLU A 15 6.700 -6.284 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.911 -8.378 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.127 -6.683 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.525 -6.967 10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.448 -8.680 9.889 1.00 0.00 H new ATOM 235 N ASP A 16 7.806 -7.886 5.301 1.00 0.00 N ATOM 236 CA ASP A 16 8.241 -7.736 3.920 1.00 0.00 C ATOM 237 C ASP A 16 7.311 -6.800 3.161 1.00 0.00 C ATOM 238 O ASP A 16 7.724 -6.141 2.210 1.00 0.00 O ATOM 239 CB ASP A 16 8.297 -9.099 3.227 1.00 0.00 C ATOM 240 CG ASP A 16 9.258 -10.053 3.905 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.054 -10.353 5.099 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.217 -10.501 3.240 1.00 0.00 O ATOM 0 H ASP A 16 7.632 -8.850 5.587 1.00 0.00 H new ATOM 0 HA ASP A 16 9.241 -7.302 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.300 -9.539 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.597 -8.963 2.188 1.00 0.00 H new ATOM 247 N MET A 17 6.055 -6.738 3.592 1.00 0.00 N ATOM 248 CA MET A 17 5.079 -5.869 2.950 1.00 0.00 C ATOM 249 C MET A 17 5.284 -4.427 3.386 1.00 0.00 C ATOM 250 O MET A 17 4.953 -3.498 2.652 1.00 0.00 O ATOM 251 CB MET A 17 3.648 -6.330 3.246 1.00 0.00 C ATOM 252 CG MET A 17 3.287 -7.658 2.591 1.00 0.00 C ATOM 253 SD MET A 17 4.170 -9.059 3.304 1.00 0.00 S ATOM 254 CE MET A 17 3.496 -10.410 2.343 1.00 0.00 C ATOM 0 H MET A 17 5.692 -7.276 4.379 1.00 0.00 H new ATOM 0 HA MET A 17 5.230 -5.928 1.872 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.520 -6.420 4.325 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.951 -5.565 2.905 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.214 -7.825 2.688 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.506 -7.602 1.525 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.283 -11.134 2.131 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.699 -10.895 2.906 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.095 -10.025 1.405 1.00 0.00 H new ATOM 264 N GLN A 18 5.866 -4.236 4.565 1.00 0.00 N ATOM 265 CA GLN A 18 6.145 -2.892 5.042 1.00 0.00 C ATOM 266 C GLN A 18 7.180 -2.279 4.113 1.00 0.00 C ATOM 267 O GLN A 18 7.010 -1.171 3.600 1.00 0.00 O ATOM 268 CB GLN A 18 6.698 -2.905 6.471 1.00 0.00 C ATOM 269 CG GLN A 18 6.075 -3.953 7.382 1.00 0.00 C ATOM 270 CD GLN A 18 4.566 -3.885 7.449 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.985 -2.834 7.719 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.921 -5.021 7.217 1.00 0.00 N ATOM 0 H GLN A 18 6.149 -4.984 5.198 1.00 0.00 H new ATOM 0 HA GLN A 18 5.220 -2.315 5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.774 -3.073 6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.546 -1.921 6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.370 -4.943 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.480 -3.834 8.387 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.444 -5.869 6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.902 -5.047 7.259 1.00 0.00 H new ATOM 281 N GLN A 19 8.251 -3.037 3.891 1.00 0.00 N ATOM 282 CA GLN A 19 9.331 -2.604 3.020 1.00 0.00 C ATOM 283 C GLN A 19 8.963 -2.757 1.546 1.00 0.00 C ATOM 284 O GLN A 19 9.402 -1.969 0.707 1.00 0.00 O ATOM 285 CB GLN A 19 10.599 -3.401 3.328 1.00 0.00 C ATOM 286 CG GLN A 19 11.780 -3.025 2.451 1.00 0.00 C ATOM 287 CD GLN A 19 13.046 -3.818 2.756 1.00 0.00 C ATOM 288 OE1 GLN A 19 14.079 -3.612 2.118 1.00 0.00 O ATOM 289 NE2 GLN A 19 12.981 -4.729 3.725 1.00 0.00 N ATOM 0 H GLN A 19 8.391 -3.958 4.306 1.00 0.00 H new ATOM 0 HA GLN A 19 9.509 -1.546 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.870 -3.248 4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.389 -4.464 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.509 -3.178 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.989 -1.962 2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.108 -4.872 4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.804 -5.283 3.960 1.00 0.00 H new ATOM 298 N ASP A 20 8.160 -3.768 1.225 1.00 0.00 N ATOM 299 CA ASP A 20 7.759 -3.993 -0.159 1.00 0.00 C ATOM 300 C ASP A 20 6.740 -2.952 -0.597 1.00 0.00 C ATOM 301 O ASP A 20 6.895 -2.317 -1.638 1.00 0.00 O ATOM 302 CB ASP A 20 7.181 -5.400 -0.332 1.00 0.00 C ATOM 303 CG ASP A 20 6.818 -5.704 -1.773 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.006 -4.818 -2.635 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.343 -6.827 -2.040 1.00 0.00 O ATOM 0 H ASP A 20 7.779 -4.436 1.895 1.00 0.00 H new ATOM 0 HA ASP A 20 8.645 -3.901 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.907 -6.133 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.294 -5.505 0.293 1.00 0.00 H new ATOM 310 N ALA A 21 5.700 -2.778 0.209 1.00 0.00 N ATOM 311 CA ALA A 21 4.656 -1.812 -0.092 1.00 0.00 C ATOM 312 C ALA A 21 5.220 -0.400 -0.192 1.00 0.00 C ATOM 313 O ALA A 21 4.925 0.328 -1.140 1.00 0.00 O ATOM 314 CB ALA A 21 3.558 -1.873 0.958 1.00 0.00 C ATOM 0 H ALA A 21 5.559 -3.295 1.077 1.00 0.00 H new ATOM 0 HA ALA A 21 4.230 -2.071 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.784 -1.144 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.123 -2.872 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.979 -1.647 1.938 1.00 0.00 H new ATOM 320 N VAL A 22 6.034 -0.008 0.788 1.00 0.00 N ATOM 321 CA VAL A 22 6.626 1.325 0.786 1.00 0.00 C ATOM 322 C VAL A 22 7.459 1.554 -0.474 1.00 0.00 C ATOM 323 O VAL A 22 7.276 2.551 -1.173 1.00 0.00 O ATOM 324 CB VAL A 22 7.501 1.567 2.034 1.00 0.00 C ATOM 325 CG1 VAL A 22 8.179 2.928 1.969 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.663 1.449 3.298 1.00 0.00 C ATOM 0 H VAL A 22 6.295 -0.589 1.585 1.00 0.00 H new ATOM 0 HA VAL A 22 5.800 2.035 0.803 1.00 0.00 H new ATOM 0 HB VAL A 22 8.279 0.804 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.789 3.073 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.813 2.977 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.421 3.710 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.294 1.622 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.864 2.190 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.230 0.450 3.356 1.00 0.00 H new ATOM 336 N ASP A 23 8.370 0.632 -0.764 1.00 0.00 N ATOM 337 CA ASP A 23 9.217 0.752 -1.945 1.00 0.00 C ATOM 338 C ASP A 23 8.408 0.541 -3.215 1.00 0.00 C ATOM 339 O ASP A 23 8.734 1.095 -4.263 1.00 0.00 O ATOM 340 CB ASP A 23 10.380 -0.238 -1.884 1.00 0.00 C ATOM 341 CG ASP A 23 11.314 0.040 -0.722 1.00 0.00 C ATOM 342 OD1 ASP A 23 10.845 0.016 0.436 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.514 0.282 -0.969 1.00 0.00 O ATOM 0 H ASP A 23 8.541 -0.202 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 23 9.626 1.762 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.987 -1.251 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.942 -0.193 -2.817 1.00 0.00 H new ATOM 348 N CYS A 24 7.341 -0.240 -3.122 1.00 0.00 N ATOM 349 CA CYS A 24 6.491 -0.476 -4.276 1.00 0.00 C ATOM 350 C CYS A 24 5.710 0.793 -4.582 1.00 0.00 C ATOM 351 O CYS A 24 5.429 1.104 -5.740 1.00 0.00 O ATOM 352 CB CYS A 24 5.543 -1.650 -4.029 1.00 0.00 C ATOM 353 SG CYS A 24 4.666 -2.207 -5.506 1.00 0.00 S ATOM 0 H CYS A 24 7.047 -0.715 -2.269 1.00 0.00 H new ATOM 0 HA CYS A 24 7.113 -0.736 -5.133 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.113 -2.485 -3.621 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.813 -1.362 -3.272 1.00 0.00 H new ATOM 0 HG CYS A 24 5.171 -1.628 -6.555 1.00 0.00 H new ATOM 359 N ALA A 25 5.391 1.541 -3.527 1.00 0.00 N ATOM 360 CA ALA A 25 4.675 2.798 -3.670 1.00 0.00 C ATOM 361 C ALA A 25 5.642 3.911 -4.059 1.00 0.00 C ATOM 362 O ALA A 25 5.250 4.898 -4.685 1.00 0.00 O ATOM 363 CB ALA A 25 3.950 3.147 -2.378 1.00 0.00 C ATOM 0 H ALA A 25 5.620 1.294 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 25 3.932 2.690 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.419 4.091 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.237 2.359 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.674 3.242 -1.569 1.00 0.00 H new ATOM 369 N THR A 26 6.915 3.739 -3.698 1.00 0.00 N ATOM 370 CA THR A 26 7.937 4.721 -4.025 1.00 0.00 C ATOM 371 C THR A 26 8.374 4.548 -5.471 1.00 0.00 C ATOM 372 O THR A 26 8.489 5.517 -6.221 1.00 0.00 O ATOM 373 CB THR A 26 9.139 4.576 -3.089 1.00 0.00 C ATOM 374 OG1 THR A 26 8.746 4.750 -1.739 1.00 0.00 O ATOM 375 CG2 THR A 26 10.245 5.569 -3.375 1.00 0.00 C ATOM 0 H THR A 26 7.257 2.929 -3.181 1.00 0.00 H new ATOM 0 HA THR A 26 7.519 5.719 -3.896 1.00 0.00 H new ATOM 0 HB THR A 26 9.521 3.570 -3.264 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.124 4.036 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.066 5.411 -2.676 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.605 5.429 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.862 6.583 -3.261 1.00 0.00 H new ATOM 383 N GLN A 27 8.598 3.296 -5.859 1.00 0.00 N ATOM 384 CA GLN A 27 9.004 2.982 -7.222 1.00 0.00 C ATOM 385 C GLN A 27 7.827 3.149 -8.177 1.00 0.00 C ATOM 386 O GLN A 27 8.012 3.416 -9.365 1.00 0.00 O ATOM 387 CB GLN A 27 9.549 1.555 -7.304 1.00 0.00 C ATOM 388 CG GLN A 27 10.798 1.331 -6.461 1.00 0.00 C ATOM 389 CD GLN A 27 11.334 -0.093 -6.529 1.00 0.00 C ATOM 390 OE1 GLN A 27 12.336 -0.414 -5.889 1.00 0.00 O ATOM 391 NE2 GLN A 27 10.678 -0.961 -7.301 1.00 0.00 N ATOM 0 H GLN A 27 8.505 2.484 -5.248 1.00 0.00 H new ATOM 0 HA GLN A 27 9.794 3.674 -7.513 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.774 0.860 -6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.776 1.321 -8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.576 2.019 -6.791 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.574 1.577 -5.423 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.851 -0.661 -7.817 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.003 -1.925 -7.375 1.00 0.00 H new ATOM 400 N ALA A 28 6.614 2.996 -7.649 1.00 0.00 N ATOM 401 CA ALA A 28 5.412 3.138 -8.457 1.00 0.00 C ATOM 402 C ALA A 28 5.103 4.607 -8.727 1.00 0.00 C ATOM 403 O ALA A 28 4.698 4.974 -9.829 1.00 0.00 O ATOM 404 CB ALA A 28 4.231 2.466 -7.772 1.00 0.00 C ATOM 0 H ALA A 28 6.441 2.775 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 28 5.589 2.648 -9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.339 2.581 -8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.444 1.406 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.062 2.930 -6.800 1.00 0.00 H new ATOM 410 N MET A 29 5.297 5.445 -7.712 1.00 0.00 N ATOM 411 CA MET A 29 5.035 6.874 -7.842 1.00 0.00 C ATOM 412 C MET A 29 6.102 7.555 -8.692 1.00 0.00 C ATOM 413 O MET A 29 5.815 8.518 -9.406 1.00 0.00 O ATOM 414 CB MET A 29 4.966 7.530 -6.461 1.00 0.00 C ATOM 415 CG MET A 29 4.687 9.024 -6.510 1.00 0.00 C ATOM 416 SD MET A 29 4.614 9.770 -4.871 1.00 0.00 S ATOM 417 CE MET A 29 3.263 8.848 -4.139 1.00 0.00 C ATOM 0 H MET A 29 5.634 5.159 -6.793 1.00 0.00 H new ATOM 0 HA MET A 29 4.074 6.994 -8.342 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.187 7.042 -5.875 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.909 7.362 -5.941 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.464 9.516 -7.095 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.743 9.197 -7.026 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.861 9.403 -3.291 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.479 8.701 -4.881 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.627 7.879 -3.798 1.00 0.00 H new ATOM 427 N GLU A 30 7.328 7.051 -8.623 1.00 0.00 N ATOM 428 CA GLU A 30 8.423 7.616 -9.400 1.00 0.00 C ATOM 429 C GLU A 30 8.362 7.096 -10.828 1.00 0.00 C ATOM 430 O GLU A 30 8.494 7.856 -11.788 1.00 0.00 O ATOM 431 CB GLU A 30 9.771 7.265 -8.769 1.00 0.00 C ATOM 432 CG GLU A 30 10.080 5.780 -8.783 1.00 0.00 C ATOM 433 CD GLU A 30 11.389 5.450 -8.090 1.00 0.00 C ATOM 434 OE1 GLU A 30 11.513 5.748 -6.883 1.00 0.00 O ATOM 435 OE2 GLU A 30 12.289 4.895 -8.755 1.00 0.00 O ATOM 0 H GLU A 30 7.588 6.256 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 30 8.322 8.701 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.561 7.797 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.784 7.621 -7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.269 5.239 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.121 5.431 -9.815 1.00 0.00 H new ATOM 442 N LYS A 31 8.148 5.792 -10.957 1.00 0.00 N ATOM 443 CA LYS A 31 8.052 5.161 -12.266 1.00 0.00 C ATOM 444 C LYS A 31 6.747 5.549 -12.957 1.00 0.00 C ATOM 445 O LYS A 31 6.631 5.453 -14.179 1.00 0.00 O ATOM 446 CB LYS A 31 8.139 3.640 -12.131 1.00 0.00 C ATOM 447 CG LYS A 31 8.081 2.906 -13.461 1.00 0.00 C ATOM 448 CD LYS A 31 9.235 3.305 -14.366 1.00 0.00 C ATOM 449 CE LYS A 31 9.187 2.562 -15.691 1.00 0.00 C ATOM 450 NZ LYS A 31 10.318 2.941 -16.583 1.00 0.00 N ATOM 0 H LYS A 31 8.038 5.152 -10.171 1.00 0.00 H new ATOM 0 HA LYS A 31 8.886 5.511 -12.875 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.068 3.381 -11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.322 3.293 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.109 1.830 -13.286 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.135 3.124 -13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.201 4.379 -14.549 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.180 3.097 -13.865 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.215 1.488 -15.506 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.243 2.775 -16.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.248 2.412 -17.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.277 3.961 -16.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.219 2.715 -16.116 1.00 0.00 H new ATOM 464 N TYR A 32 5.765 5.989 -12.169 1.00 0.00 N ATOM 465 CA TYR A 32 4.473 6.390 -12.717 1.00 0.00 C ATOM 466 C TYR A 32 3.913 7.600 -11.974 1.00 0.00 C ATOM 467 O TYR A 32 3.915 7.643 -10.744 1.00 0.00 O ATOM 468 CB TYR A 32 3.482 5.228 -12.645 1.00 0.00 C ATOM 469 CG TYR A 32 3.887 4.039 -13.486 1.00 0.00 C ATOM 470 CD1 TYR A 32 4.030 4.155 -14.863 1.00 0.00 C ATOM 471 CD2 TYR A 32 4.128 2.801 -12.902 1.00 0.00 C ATOM 472 CE1 TYR A 32 4.401 3.070 -15.634 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.499 1.713 -13.668 1.00 0.00 C ATOM 474 CZ TYR A 32 4.635 1.854 -15.034 1.00 0.00 C ATOM 475 OH TYR A 32 5.006 0.771 -15.798 1.00 0.00 O ATOM 0 H TYR A 32 5.841 6.076 -11.156 1.00 0.00 H new ATOM 0 HA TYR A 32 4.622 6.668 -13.760 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.380 4.911 -11.607 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.501 5.576 -12.970 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.848 5.108 -15.338 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.024 2.688 -11.833 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.507 3.176 -16.704 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.682 0.757 -13.200 1.00 0.00 H new ATOM 0 HH TYR A 32 5.133 -0.010 -15.219 1.00 0.00 H new ATOM 485 N ASN A 33 3.442 8.586 -12.733 1.00 0.00 N ATOM 486 CA ASN A 33 2.884 9.801 -12.151 1.00 0.00 C ATOM 487 C ASN A 33 1.358 9.793 -12.196 1.00 0.00 C ATOM 488 O ASN A 33 0.728 10.847 -12.278 1.00 0.00 O ATOM 489 CB ASN A 33 3.414 11.035 -12.890 1.00 0.00 C ATOM 490 CG ASN A 33 4.927 11.208 -12.792 1.00 0.00 C ATOM 491 OD1 ASN A 33 5.493 12.097 -13.425 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.592 10.376 -11.991 1.00 0.00 N ATOM 0 H ASN A 33 3.436 8.566 -13.753 1.00 0.00 H new ATOM 0 HA ASN A 33 3.195 9.839 -11.107 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.133 10.966 -13.941 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.929 11.924 -12.488 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.603 10.466 -11.888 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.090 9.649 -11.480 1.00 0.00 H new ATOM 499 N ILE A 34 0.768 8.603 -12.135 1.00 0.00 N ATOM 500 CA ILE A 34 -0.683 8.474 -12.163 1.00 0.00 C ATOM 501 C ILE A 34 -1.173 7.905 -10.835 1.00 0.00 C ATOM 502 O ILE A 34 -0.369 7.457 -10.023 1.00 0.00 O ATOM 503 CB ILE A 34 -1.139 7.560 -13.319 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.357 7.888 -14.593 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.633 7.713 -13.564 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.762 7.052 -15.788 1.00 0.00 C ATOM 0 H ILE A 34 1.271 7.718 -12.066 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.111 9.464 -12.321 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.939 6.525 -13.041 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.497 8.942 -14.834 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.707 7.743 -14.403 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.936 7.061 -14.383 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.180 7.440 -12.661 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.855 8.748 -13.824 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.165 7.341 -16.653 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.595 5.998 -15.568 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.818 7.215 -16.005 1.00 0.00 H new ATOM 518 N GLU A 35 -2.480 7.935 -10.603 1.00 0.00 N ATOM 519 CA GLU A 35 -3.030 7.420 -9.353 1.00 0.00 C ATOM 520 C GLU A 35 -3.882 6.172 -9.587 1.00 0.00 C ATOM 521 O GLU A 35 -4.683 5.792 -8.733 1.00 0.00 O ATOM 522 CB GLU A 35 -3.862 8.496 -8.655 1.00 0.00 C ATOM 523 CG GLU A 35 -5.038 8.988 -9.482 1.00 0.00 C ATOM 524 CD GLU A 35 -5.847 10.054 -8.768 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.378 9.762 -7.675 1.00 0.00 O ATOM 526 OE2 GLU A 35 -5.952 11.178 -9.302 1.00 0.00 O ATOM 0 H GLU A 35 -3.172 8.305 -11.254 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.192 7.142 -8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.234 8.100 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.218 9.342 -8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.671 9.388 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.686 8.145 -9.723 1.00 0.00 H new ATOM 533 N LYS A 36 -3.696 5.527 -10.736 1.00 0.00 N ATOM 534 CA LYS A 36 -4.441 4.316 -11.056 1.00 0.00 C ATOM 535 C LYS A 36 -3.483 3.188 -11.415 1.00 0.00 C ATOM 536 O LYS A 36 -3.636 2.060 -10.947 1.00 0.00 O ATOM 537 CB LYS A 36 -5.427 4.560 -12.201 1.00 0.00 C ATOM 538 CG LYS A 36 -4.762 4.838 -13.540 1.00 0.00 C ATOM 539 CD LYS A 36 -5.791 5.059 -14.636 1.00 0.00 C ATOM 540 CE LYS A 36 -5.128 5.337 -15.975 1.00 0.00 C ATOM 541 NZ LYS A 36 -6.129 5.561 -17.054 1.00 0.00 N ATOM 0 H LYS A 36 -3.038 5.823 -11.457 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.013 4.028 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.074 3.688 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.067 5.404 -11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.124 5.718 -13.455 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.117 4.001 -13.808 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.429 4.179 -14.720 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.436 5.896 -14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.486 6.214 -15.887 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.486 4.498 -16.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.637 5.747 -17.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.725 4.715 -17.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.725 6.378 -16.810 1.00 0.00 H new ATOM 555 N ASP A 37 -2.481 3.503 -12.229 1.00 0.00 N ATOM 556 CA ASP A 37 -1.491 2.511 -12.620 1.00 0.00 C ATOM 557 C ASP A 37 -0.642 2.127 -11.410 1.00 0.00 C ATOM 558 O ASP A 37 0.031 1.095 -11.409 1.00 0.00 O ATOM 559 CB ASP A 37 -0.606 3.049 -13.746 1.00 0.00 C ATOM 560 CG ASP A 37 0.140 4.308 -13.350 1.00 0.00 C ATOM 561 OD1 ASP A 37 0.021 4.729 -12.180 1.00 0.00 O ATOM 562 OD2 ASP A 37 0.846 4.872 -14.211 1.00 0.00 O ATOM 0 H ASP A 37 -2.335 4.431 -12.627 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.006 1.624 -12.989 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.112 2.282 -14.037 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.223 3.256 -14.620 1.00 0.00 H new ATOM 567 N ILE A 38 -0.693 2.966 -10.377 1.00 0.00 N ATOM 568 CA ILE A 38 0.051 2.727 -9.151 1.00 0.00 C ATOM 569 C ILE A 38 -0.537 1.539 -8.395 1.00 0.00 C ATOM 570 O ILE A 38 0.178 0.606 -8.030 1.00 0.00 O ATOM 571 CB ILE A 38 0.023 3.970 -8.237 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.552 5.194 -8.985 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.840 3.722 -6.975 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.006 5.084 -9.378 1.00 0.00 C ATOM 0 H ILE A 38 -1.247 3.822 -10.370 1.00 0.00 H new ATOM 0 HA ILE A 38 1.083 2.511 -9.427 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.010 4.162 -7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.047 5.347 -9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.420 6.076 -8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.810 4.609 -6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.423 2.874 -6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.873 3.506 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.310 5.989 -9.904 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.617 4.962 -8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.142 4.222 -10.030 1.00 0.00 H new ATOM 586 N ALA A 39 -1.847 1.580 -8.173 1.00 0.00 N ATOM 587 CA ALA A 39 -2.533 0.505 -7.467 1.00 0.00 C ATOM 588 C ALA A 39 -2.453 -0.803 -8.247 1.00 0.00 C ATOM 589 O ALA A 39 -2.592 -1.886 -7.677 1.00 0.00 O ATOM 590 CB ALA A 39 -3.984 0.883 -7.210 1.00 0.00 C ATOM 0 H ALA A 39 -2.453 2.344 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.034 0.356 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.484 0.071 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.022 1.788 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.487 1.062 -8.160 1.00 0.00 H new ATOM 596 N ALA A 40 -2.225 -0.697 -9.552 1.00 0.00 N ATOM 597 CA ALA A 40 -2.121 -1.872 -10.407 1.00 0.00 C ATOM 598 C ALA A 40 -0.730 -2.481 -10.324 1.00 0.00 C ATOM 599 O ALA A 40 -0.579 -3.699 -10.311 1.00 0.00 O ATOM 600 CB ALA A 40 -2.464 -1.514 -11.846 1.00 0.00 C ATOM 0 H ALA A 40 -2.109 0.191 -10.040 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.837 -2.615 -10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.381 -2.403 -12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.483 -1.131 -11.893 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.773 -0.752 -12.206 1.00 0.00 H new ATOM 606 N TYR A 41 0.282 -1.627 -10.258 1.00 0.00 N ATOM 607 CA TYR A 41 1.659 -2.095 -10.162 1.00 0.00 C ATOM 608 C TYR A 41 1.911 -2.710 -8.791 1.00 0.00 C ATOM 609 O TYR A 41 2.765 -3.584 -8.637 1.00 0.00 O ATOM 610 CB TYR A 41 2.634 -0.942 -10.418 1.00 0.00 C ATOM 611 CG TYR A 41 4.091 -1.347 -10.380 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.697 -1.739 -9.191 1.00 0.00 C ATOM 613 CD2 TYR A 41 4.861 -1.344 -11.536 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.029 -2.111 -9.157 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.192 -1.714 -11.510 1.00 0.00 C ATOM 616 CZ TYR A 41 6.770 -2.096 -10.319 1.00 0.00 C ATOM 617 OH TYR A 41 8.096 -2.465 -10.289 1.00 0.00 O ATOM 0 H TYR A 41 0.178 -0.612 -10.269 1.00 0.00 H new ATOM 0 HA TYR A 41 1.822 -2.859 -10.922 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.415 -0.504 -11.392 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.464 -0.164 -9.673 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.118 -1.753 -8.279 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.411 -1.047 -12.472 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.486 -2.411 -8.225 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.776 -1.704 -12.418 1.00 0.00 H new ATOM 0 HH TYR A 41 8.474 -2.400 -11.191 1.00 0.00 H new ATOM 627 N ILE A 42 1.145 -2.267 -7.801 1.00 0.00 N ATOM 628 CA ILE A 42 1.268 -2.788 -6.450 1.00 0.00 C ATOM 629 C ILE A 42 0.452 -4.064 -6.328 1.00 0.00 C ATOM 630 O ILE A 42 0.913 -5.066 -5.779 1.00 0.00 O ATOM 631 CB ILE A 42 0.791 -1.758 -5.403 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.602 -0.466 -5.523 1.00 0.00 C ATOM 633 CG2 ILE A 42 0.909 -2.332 -3.998 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.047 0.674 -4.698 1.00 0.00 C ATOM 0 H ILE A 42 0.431 -1.547 -7.912 1.00 0.00 H new ATOM 0 HA ILE A 42 2.320 -2.998 -6.256 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.258 -1.529 -5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.629 -0.661 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.636 -0.164 -6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.569 -1.593 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.294 -3.228 -3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.949 -2.587 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.672 1.557 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.030 0.896 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.039 0.391 -3.645 1.00 0.00 H new ATOM 646 N LYS A 43 -0.756 -4.025 -6.877 1.00 0.00 N ATOM 647 CA LYS A 43 -1.633 -5.181 -6.867 1.00 0.00 C ATOM 648 C LYS A 43 -1.045 -6.277 -7.745 1.00 0.00 C ATOM 649 O LYS A 43 -1.167 -7.462 -7.445 1.00 0.00 O ATOM 650 CB LYS A 43 -3.028 -4.796 -7.370 1.00 0.00 C ATOM 651 CG LYS A 43 -3.972 -5.976 -7.533 1.00 0.00 C ATOM 652 CD LYS A 43 -5.314 -5.542 -8.100 1.00 0.00 C ATOM 653 CE LYS A 43 -6.209 -6.735 -8.399 1.00 0.00 C ATOM 654 NZ LYS A 43 -6.484 -7.544 -7.181 1.00 0.00 N ATOM 0 H LYS A 43 -1.148 -3.202 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.723 -5.549 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.470 -4.083 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.930 -4.287 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.520 -6.717 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.123 -6.459 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.813 -4.881 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.155 -4.968 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.151 -6.385 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.735 -7.364 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.508 -7.708 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.992 -8.457 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.145 -7.033 -6.341 1.00 0.00 H new ATOM 668 N LYS A 44 -0.405 -5.864 -8.838 1.00 0.00 N ATOM 669 CA LYS A 44 0.202 -6.806 -9.767 1.00 0.00 C ATOM 670 C LYS A 44 1.410 -7.501 -9.145 1.00 0.00 C ATOM 671 O LYS A 44 1.441 -8.725 -9.027 1.00 0.00 O ATOM 672 CB LYS A 44 0.623 -6.083 -11.046 1.00 0.00 C ATOM 673 CG LYS A 44 1.026 -7.025 -12.160 1.00 0.00 C ATOM 674 CD LYS A 44 -0.125 -7.945 -12.518 1.00 0.00 C ATOM 675 CE LYS A 44 0.237 -8.878 -13.662 1.00 0.00 C ATOM 676 NZ LYS A 44 1.399 -9.750 -13.326 1.00 0.00 N ATOM 0 H LYS A 44 -0.295 -4.884 -9.099 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.541 -7.566 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.200 -5.457 -11.389 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.457 -5.418 -10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.328 -6.453 -13.037 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.889 -7.615 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.407 -8.533 -11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.995 -7.349 -12.795 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.624 -9.500 -13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.470 -8.290 -14.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.497 -10.492 -14.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.267 -9.177 -13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.245 -10.190 -12.396 1.00 0.00 H new ATOM 690 N GLU A 45 2.409 -6.712 -8.756 1.00 0.00 N ATOM 691 CA GLU A 45 3.626 -7.253 -8.153 1.00 0.00 C ATOM 692 C GLU A 45 3.315 -8.230 -7.022 1.00 0.00 C ATOM 693 O GLU A 45 3.825 -9.350 -7.007 1.00 0.00 O ATOM 694 CB GLU A 45 4.513 -6.118 -7.635 1.00 0.00 C ATOM 695 CG GLU A 45 5.116 -5.260 -8.736 1.00 0.00 C ATOM 696 CD GLU A 45 6.111 -6.020 -9.594 1.00 0.00 C ATOM 697 OE1 GLU A 45 5.703 -7.004 -10.247 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.298 -5.633 -9.612 1.00 0.00 O ATOM 0 H GLU A 45 2.400 -5.696 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 45 4.158 -7.802 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.925 -5.483 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.318 -6.543 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.317 -4.875 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.612 -4.399 -8.289 1.00 0.00 H new ATOM 705 N PHE A 46 2.484 -7.806 -6.076 1.00 0.00 N ATOM 706 CA PHE A 46 2.125 -8.664 -4.951 1.00 0.00 C ATOM 707 C PHE A 46 1.282 -9.852 -5.404 1.00 0.00 C ATOM 708 O PHE A 46 1.351 -10.930 -4.813 1.00 0.00 O ATOM 709 CB PHE A 46 1.380 -7.866 -3.879 1.00 0.00 C ATOM 710 CG PHE A 46 2.261 -6.936 -3.094 1.00 0.00 C ATOM 711 CD1 PHE A 46 2.895 -5.866 -3.707 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.457 -7.134 -1.737 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.704 -5.012 -2.981 1.00 0.00 C ATOM 714 CE2 PHE A 46 3.264 -6.284 -1.006 1.00 0.00 C ATOM 715 CZ PHE A 46 3.888 -5.222 -1.628 1.00 0.00 C ATOM 0 H PHE A 46 2.050 -6.883 -6.064 1.00 0.00 H new ATOM 0 HA PHE A 46 3.050 -9.050 -4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.589 -7.287 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.897 -8.561 -3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.755 -5.698 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.972 -7.964 -1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.191 -4.182 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.406 -6.450 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.519 -4.556 -1.058 1.00 0.00 H new ATOM 725 N ASP A 47 0.489 -9.653 -6.452 1.00 0.00 N ATOM 726 CA ASP A 47 -0.359 -10.720 -6.975 1.00 0.00 C ATOM 727 C ASP A 47 0.475 -11.758 -7.723 1.00 0.00 C ATOM 728 O ASP A 47 0.090 -12.923 -7.822 1.00 0.00 O ATOM 729 CB ASP A 47 -1.434 -10.143 -7.899 1.00 0.00 C ATOM 730 CG ASP A 47 -2.331 -11.214 -8.491 1.00 0.00 C ATOM 731 OD1 ASP A 47 -1.810 -12.098 -9.202 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.554 -11.169 -8.242 1.00 0.00 O ATOM 0 H ASP A 47 0.415 -8.768 -6.954 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.846 -11.211 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.043 -9.431 -7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.955 -9.589 -8.706 1.00 0.00 H new ATOM 737 N LYS A 48 1.617 -11.327 -8.248 1.00 0.00 N ATOM 738 CA LYS A 48 2.503 -12.219 -8.987 1.00 0.00 C ATOM 739 C LYS A 48 3.516 -12.880 -8.054 1.00 0.00 C ATOM 740 O LYS A 48 4.035 -13.956 -8.352 1.00 0.00 O ATOM 741 CB LYS A 48 3.233 -11.446 -10.087 1.00 0.00 C ATOM 742 CG LYS A 48 4.173 -12.305 -10.915 1.00 0.00 C ATOM 743 CD LYS A 48 3.429 -13.434 -11.611 1.00 0.00 C ATOM 744 CE LYS A 48 4.369 -14.291 -12.444 1.00 0.00 C ATOM 745 NZ LYS A 48 5.437 -14.913 -11.615 1.00 0.00 N ATOM 0 H LYS A 48 1.951 -10.366 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 48 1.895 -13.000 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.496 -10.988 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.802 -10.635 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.674 -11.685 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.949 -12.721 -10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.931 -14.056 -10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.651 -13.018 -12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.798 -15.072 -12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.824 -13.679 -13.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.917 -15.653 -12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.127 -14.187 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.014 -15.335 -10.764 1.00 0.00 H new ATOM 759 N LYS A 49 3.797 -12.230 -6.929 1.00 0.00 N ATOM 760 CA LYS A 49 4.752 -12.758 -5.960 1.00 0.00 C ATOM 761 C LYS A 49 4.043 -13.531 -4.851 1.00 0.00 C ATOM 762 O LYS A 49 4.322 -14.710 -4.628 1.00 0.00 O ATOM 763 CB LYS A 49 5.580 -11.622 -5.357 1.00 0.00 C ATOM 764 CG LYS A 49 6.419 -10.872 -6.378 1.00 0.00 C ATOM 765 CD LYS A 49 7.418 -11.790 -7.064 1.00 0.00 C ATOM 766 CE LYS A 49 8.384 -12.408 -6.064 1.00 0.00 C ATOM 767 NZ LYS A 49 9.165 -11.373 -5.333 1.00 0.00 N ATOM 0 H LYS A 49 3.378 -11.338 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 49 5.416 -13.445 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.910 -10.919 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.237 -12.030 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.766 -10.420 -7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.951 -10.058 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.885 -12.580 -7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.977 -11.227 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.828 -13.015 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.068 -13.077 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.945 -11.827 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.552 -10.687 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.544 -10.881 -4.659 1.00 0.00 H new ATOM 781 N TYR A 50 3.131 -12.862 -4.153 1.00 0.00 N ATOM 782 CA TYR A 50 2.391 -13.490 -3.065 1.00 0.00 C ATOM 783 C TYR A 50 1.051 -14.038 -3.549 1.00 0.00 C ATOM 784 O TYR A 50 0.161 -14.317 -2.744 1.00 0.00 O ATOM 785 CB TYR A 50 2.164 -12.488 -1.931 1.00 0.00 C ATOM 786 CG TYR A 50 3.444 -11.921 -1.357 1.00 0.00 C ATOM 787 CD1 TYR A 50 4.398 -12.753 -0.784 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.698 -10.556 -1.391 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.570 -12.237 -0.258 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.865 -10.035 -0.869 1.00 0.00 C ATOM 791 CZ TYR A 50 5.798 -10.879 -0.304 1.00 0.00 C ATOM 792 OH TYR A 50 6.962 -10.363 0.217 1.00 0.00 O ATOM 0 H TYR A 50 2.887 -11.886 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 50 2.987 -14.324 -2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.547 -11.669 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.603 -12.976 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.223 -13.818 -0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.971 -9.891 -1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.302 -12.896 0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.047 -8.971 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 50 6.968 -9.390 0.104 1.00 0.00 H new ATOM 802 N ASN A 51 0.909 -14.191 -4.863 1.00 0.00 N ATOM 803 CA ASN A 51 -0.326 -14.705 -5.442 1.00 0.00 C ATOM 804 C ASN A 51 -1.513 -13.818 -5.072 1.00 0.00 C ATOM 805 O ASN A 51 -1.442 -13.040 -4.122 1.00 0.00 O ATOM 806 CB ASN A 51 -0.578 -16.138 -4.966 1.00 0.00 C ATOM 807 CG ASN A 51 0.543 -17.083 -5.356 1.00 0.00 C ATOM 808 OD1 ASN A 51 1.694 -16.891 -4.968 1.00 0.00 O ATOM 809 ND2 ASN A 51 0.207 -18.111 -6.126 1.00 0.00 N ATOM 0 H ASN A 51 1.634 -13.966 -5.545 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.218 -14.702 -6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.693 -16.143 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.516 -16.498 -5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.917 -18.782 -6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.761 -18.230 -6.424 1.00 0.00 H new ATOM 816 N PRO A 52 -2.625 -13.922 -5.822 1.00 0.00 N ATOM 817 CA PRO A 52 -3.827 -13.125 -5.566 1.00 0.00 C ATOM 818 C PRO A 52 -4.510 -13.526 -4.258 1.00 0.00 C ATOM 819 O PRO A 52 -4.147 -14.537 -3.658 1.00 0.00 O ATOM 820 CB PRO A 52 -4.743 -13.435 -6.762 1.00 0.00 C ATOM 821 CG PRO A 52 -3.881 -14.140 -7.759 1.00 0.00 C ATOM 822 CD PRO A 52 -2.799 -14.819 -6.972 1.00 0.00 C ATOM 0 HA PRO A 52 -3.594 -12.065 -5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.584 -14.060 -6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.161 -12.520 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.460 -14.865 -8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.458 -13.435 -8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.092 -15.822 -6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.880 -14.920 -7.550 1.00 0.00 H new ATOM 830 N THR A 53 -5.501 -12.744 -3.808 1.00 0.00 N ATOM 831 CA THR A 53 -5.951 -11.536 -4.504 1.00 0.00 C ATOM 832 C THR A 53 -5.888 -10.327 -3.575 1.00 0.00 C ATOM 833 O THR A 53 -6.727 -10.170 -2.688 1.00 0.00 O ATOM 834 CB THR A 53 -7.384 -11.724 -5.012 1.00 0.00 C ATOM 835 OG1 THR A 53 -7.459 -12.824 -5.904 1.00 0.00 O ATOM 836 CG2 THR A 53 -7.930 -10.508 -5.733 1.00 0.00 C ATOM 0 H THR A 53 -6.014 -12.935 -2.947 1.00 0.00 H new ATOM 0 HA THR A 53 -5.289 -11.361 -5.352 1.00 0.00 H new ATOM 0 HB THR A 53 -7.986 -11.896 -4.120 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.382 -12.929 -6.216 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.948 -10.709 -6.066 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.932 -9.654 -5.056 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.303 -10.285 -6.596 1.00 0.00 H new ATOM 844 N TRP A 54 -4.887 -9.477 -3.780 1.00 0.00 N ATOM 845 CA TRP A 54 -4.716 -8.286 -2.956 1.00 0.00 C ATOM 846 C TRP A 54 -5.259 -7.053 -3.675 1.00 0.00 C ATOM 847 O TRP A 54 -5.899 -7.167 -4.719 1.00 0.00 O ATOM 848 CB TRP A 54 -3.236 -8.077 -2.620 1.00 0.00 C ATOM 849 CG TRP A 54 -2.555 -9.299 -2.077 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.430 -10.508 -2.699 1.00 0.00 C ATOM 851 CD2 TRP A 54 -1.893 -9.430 -0.809 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.735 -11.383 -1.900 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.396 -10.746 -0.735 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.673 -8.567 0.272 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.693 -11.217 0.372 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.975 -9.036 1.368 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.492 -10.350 1.411 1.00 0.00 C ATOM 0 H TRP A 54 -4.183 -9.591 -4.509 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.275 -8.430 -2.031 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.712 -7.751 -3.519 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.150 -7.271 -1.891 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.821 -10.743 -3.678 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.508 -12.349 -2.135 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.043 -7.552 0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.320 -12.230 0.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.799 -8.378 2.206 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.050 -10.686 2.282 1.00 0.00 H new ATOM 868 N HIS A 55 -4.999 -5.877 -3.110 1.00 0.00 N ATOM 869 CA HIS A 55 -5.462 -4.623 -3.701 1.00 0.00 C ATOM 870 C HIS A 55 -5.029 -3.429 -2.856 1.00 0.00 C ATOM 871 O HIS A 55 -5.786 -2.949 -2.013 1.00 0.00 O ATOM 872 CB HIS A 55 -6.986 -4.635 -3.844 1.00 0.00 C ATOM 873 CG HIS A 55 -7.541 -3.380 -4.448 1.00 0.00 C ATOM 874 ND1 HIS A 55 -7.199 -2.935 -5.707 1.00 0.00 N ATOM 875 CD2 HIS A 55 -8.424 -2.477 -3.959 1.00 0.00 C ATOM 876 CE1 HIS A 55 -7.844 -1.811 -5.966 1.00 0.00 C ATOM 877 NE2 HIS A 55 -8.594 -1.512 -4.921 1.00 0.00 N ATOM 0 H HIS A 55 -4.471 -5.765 -2.245 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.011 -4.528 -4.689 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.278 -5.485 -4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.434 -4.785 -2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.905 -2.510 -2.993 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.770 -1.235 -6.877 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.201 -0.696 -4.841 1.00 0.00 H new ATOM 886 N CYS A 56 -3.812 -2.950 -3.088 1.00 0.00 N ATOM 887 CA CYS A 56 -3.288 -1.808 -2.344 1.00 0.00 C ATOM 888 C CYS A 56 -4.067 -0.540 -2.676 1.00 0.00 C ATOM 889 O CYS A 56 -4.631 -0.416 -3.764 1.00 0.00 O ATOM 890 CB CYS A 56 -1.803 -1.605 -2.658 1.00 0.00 C ATOM 891 SG CYS A 56 -1.046 -0.214 -1.784 1.00 0.00 S ATOM 0 H CYS A 56 -3.171 -3.332 -3.783 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.402 -2.016 -1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.261 -2.517 -2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.687 -1.452 -3.731 1.00 0.00 H new ATOM 0 HG CYS A 56 0.148 -0.546 -1.391 1.00 0.00 H new ATOM 897 N ILE A 57 -4.094 0.401 -1.736 1.00 0.00 N ATOM 898 CA ILE A 57 -4.807 1.657 -1.943 1.00 0.00 C ATOM 899 C ILE A 57 -3.867 2.835 -1.891 1.00 0.00 C ATOM 900 O ILE A 57 -2.975 2.892 -1.045 1.00 0.00 O ATOM 901 CB ILE A 57 -5.901 1.884 -0.899 1.00 0.00 C ATOM 902 CG1 ILE A 57 -6.712 0.617 -0.716 1.00 0.00 C ATOM 903 CG2 ILE A 57 -6.797 3.041 -1.306 1.00 0.00 C ATOM 904 CD1 ILE A 57 -7.300 0.074 -2.004 1.00 0.00 C ATOM 0 H ILE A 57 -3.634 0.318 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.263 1.578 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.432 2.139 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.078 -0.147 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.521 0.813 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.569 3.187 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.201 3.949 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.265 2.819 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.866 -0.833 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.961 0.820 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.496 -0.156 -2.703 1.00 0.00 H new ATOM 916 N VAL A 58 -4.094 3.767 -2.802 1.00 0.00 N ATOM 917 CA VAL A 58 -3.286 4.971 -2.903 1.00 0.00 C ATOM 918 C VAL A 58 -4.130 6.230 -2.699 1.00 0.00 C ATOM 919 O VAL A 58 -4.248 7.064 -3.596 1.00 0.00 O ATOM 920 CB VAL A 58 -2.592 5.039 -4.274 1.00 0.00 C ATOM 921 CG1 VAL A 58 -3.615 5.161 -5.398 1.00 0.00 C ATOM 922 CG2 VAL A 58 -1.593 6.186 -4.316 1.00 0.00 C ATOM 0 H VAL A 58 -4.843 3.710 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.534 4.926 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.044 4.109 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.098 5.207 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.276 4.295 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.203 6.068 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.114 6.216 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.112 7.128 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.836 6.038 -3.546 1.00 0.00 H new ATOM 932 N GLY A 59 -4.714 6.362 -1.514 1.00 0.00 N ATOM 933 CA GLY A 59 -5.535 7.523 -1.223 1.00 0.00 C ATOM 934 C GLY A 59 -5.826 7.674 0.255 1.00 0.00 C ATOM 935 O GLY A 59 -5.049 8.285 0.987 1.00 0.00 O ATOM 0 H GLY A 59 -4.635 5.689 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.031 8.420 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.475 7.445 -1.769 1.00 0.00 H new ATOM 939 N ARG A 60 -6.950 7.118 0.696 1.00 0.00 N ATOM 940 CA ARG A 60 -7.336 7.198 2.099 1.00 0.00 C ATOM 941 C ARG A 60 -8.044 5.927 2.553 1.00 0.00 C ATOM 942 O ARG A 60 -7.542 5.196 3.407 1.00 0.00 O ATOM 943 CB ARG A 60 -8.236 8.413 2.336 1.00 0.00 C ATOM 944 CG ARG A 60 -7.547 9.741 2.061 1.00 0.00 C ATOM 945 CD ARG A 60 -8.472 10.914 2.336 1.00 0.00 C ATOM 946 NE ARG A 60 -7.799 12.199 2.145 1.00 0.00 N ATOM 947 CZ ARG A 60 -6.799 12.635 2.909 1.00 0.00 C ATOM 948 NH1 ARG A 60 -6.382 11.916 3.944 1.00 0.00 N ATOM 949 NH2 ARG A 60 -6.223 13.800 2.644 1.00 0.00 N ATOM 0 H ARG A 60 -7.607 6.609 0.104 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.426 7.308 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.118 8.332 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.585 8.401 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.656 9.825 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.216 9.773 1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.337 10.856 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.846 10.849 3.358 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.115 12.797 1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.828 11.024 4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.616 12.256 4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.546 14.361 1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.457 14.135 3.228 1.00 0.00 H new ATOM 963 N ASN A 61 -9.216 5.673 1.985 1.00 0.00 N ATOM 964 CA ASN A 61 -9.997 4.491 2.344 1.00 0.00 C ATOM 965 C ASN A 61 -10.967 4.093 1.235 1.00 0.00 C ATOM 966 O ASN A 61 -11.954 3.405 1.488 1.00 0.00 O ATOM 967 CB ASN A 61 -10.799 4.767 3.624 1.00 0.00 C ATOM 968 CG ASN A 61 -12.010 5.683 3.411 1.00 0.00 C ATOM 969 OD1 ASN A 61 -12.802 5.887 4.333 1.00 0.00 O ATOM 970 ND2 ASN A 61 -12.163 6.252 2.209 1.00 0.00 N ATOM 0 H ASN A 61 -9.648 6.266 1.276 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.295 3.672 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.141 3.819 4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.139 5.219 4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.952 6.874 2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.490 6.063 1.466 1.00 0.00 H new ATOM 977 N PHE A 62 -10.716 4.563 0.020 1.00 0.00 N ATOM 978 CA PHE A 62 -11.617 4.279 -1.088 1.00 0.00 C ATOM 979 C PHE A 62 -11.614 2.795 -1.477 1.00 0.00 C ATOM 980 O PHE A 62 -12.251 2.408 -2.457 1.00 0.00 O ATOM 981 CB PHE A 62 -11.266 5.147 -2.302 1.00 0.00 C ATOM 982 CG PHE A 62 -9.915 4.861 -2.898 1.00 0.00 C ATOM 983 CD1 PHE A 62 -9.661 3.658 -3.541 1.00 0.00 C ATOM 984 CD2 PHE A 62 -8.896 5.798 -2.818 1.00 0.00 C ATOM 985 CE1 PHE A 62 -8.420 3.399 -4.093 1.00 0.00 C ATOM 986 CE2 PHE A 62 -7.654 5.543 -3.367 1.00 0.00 C ATOM 987 CZ PHE A 62 -7.417 4.343 -4.006 1.00 0.00 C ATOM 0 H PHE A 62 -9.907 5.135 -0.221 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.624 4.523 -0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.027 5.002 -3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.306 6.196 -2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.442 2.915 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.076 6.739 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.236 2.459 -4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.870 6.282 -3.296 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.447 4.143 -4.438 1.00 0.00 H new ATOM 997 N GLY A 63 -10.901 1.967 -0.714 1.00 0.00 N ATOM 998 CA GLY A 63 -10.842 0.548 -1.007 1.00 0.00 C ATOM 999 C GLY A 63 -10.990 -0.292 0.242 1.00 0.00 C ATOM 1000 O GLY A 63 -10.112 -1.090 0.574 1.00 0.00 O ATOM 0 H GLY A 63 -10.363 2.257 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.631 0.290 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.893 0.316 -1.490 1.00 0.00 H new ATOM 1004 N SER A 64 -12.102 -0.100 0.941 1.00 0.00 N ATOM 1005 CA SER A 64 -12.386 -0.827 2.175 1.00 0.00 C ATOM 1006 C SER A 64 -12.659 -2.306 1.908 1.00 0.00 C ATOM 1007 O SER A 64 -13.696 -2.841 2.301 1.00 0.00 O ATOM 1008 CB SER A 64 -13.584 -0.199 2.892 1.00 0.00 C ATOM 1009 OG SER A 64 -13.334 1.159 3.210 1.00 0.00 O ATOM 0 H SER A 64 -12.830 0.561 0.671 1.00 0.00 H new ATOM 0 HA SER A 64 -11.503 -0.758 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.469 -0.271 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.799 -0.756 3.804 1.00 0.00 H new ATOM 0 HG SER A 64 -14.115 1.537 3.666 1.00 0.00 H new ATOM 1015 N TYR A 65 -11.713 -2.963 1.250 1.00 0.00 N ATOM 1016 CA TYR A 65 -11.831 -4.384 0.937 1.00 0.00 C ATOM 1017 C TYR A 65 -11.043 -5.221 1.941 1.00 0.00 C ATOM 1018 O TYR A 65 -10.460 -6.245 1.587 1.00 0.00 O ATOM 1019 CB TYR A 65 -11.322 -4.664 -0.477 1.00 0.00 C ATOM 1020 CG TYR A 65 -12.297 -4.301 -1.571 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -12.894 -3.049 -1.615 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -12.615 -5.219 -2.564 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -13.786 -2.720 -2.619 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -13.505 -4.896 -3.573 1.00 0.00 C ATOM 1025 CZ TYR A 65 -14.088 -3.646 -3.595 1.00 0.00 C ATOM 1026 OH TYR A 65 -14.974 -3.322 -4.596 1.00 0.00 O ATOM 0 H TYR A 65 -10.849 -2.532 0.920 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.884 -4.658 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.396 -4.111 -0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.079 -5.723 -0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.658 -2.320 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.161 -6.199 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.244 -1.742 -2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.742 -5.619 -4.340 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.075 -4.085 -5.203 1.00 0.00 H new ATOM 1036 N VAL A 66 -11.022 -4.772 3.191 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.295 -5.474 4.244 1.00 0.00 C ATOM 1038 C VAL A 66 -11.221 -6.356 5.082 1.00 0.00 C ATOM 1039 O VAL A 66 -10.771 -7.037 6.003 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.576 -4.480 5.171 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.741 -5.215 6.210 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.711 -3.523 4.362 1.00 0.00 C ATOM 0 H VAL A 66 -11.500 -3.926 3.501 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.561 -6.109 3.748 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.332 -3.897 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.242 -4.491 6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.388 -5.852 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.994 -5.830 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.210 -2.827 5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.965 -4.089 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.338 -2.966 3.666 1.00 0.00 H new ATOM 1052 N THR A 67 -12.509 -6.339 4.766 1.00 0.00 N ATOM 1053 CA THR A 67 -13.480 -7.143 5.501 1.00 0.00 C ATOM 1054 C THR A 67 -14.105 -8.201 4.603 1.00 0.00 C ATOM 1055 O THR A 67 -14.527 -9.258 5.073 1.00 0.00 O ATOM 1056 CB THR A 67 -14.568 -6.249 6.091 1.00 0.00 C ATOM 1057 OG1 THR A 67 -14.006 -5.271 6.949 1.00 0.00 O ATOM 1058 CG2 THR A 67 -15.607 -7.011 6.885 1.00 0.00 C ATOM 0 H THR A 67 -12.906 -5.781 4.010 1.00 0.00 H new ATOM 0 HA THR A 67 -12.955 -7.649 6.312 1.00 0.00 H new ATOM 0 HB THR A 67 -15.056 -5.788 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.720 -4.708 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 67 -16.349 -6.315 7.275 1.00 0.00 H new ATOM 0 HG22 THR A 67 -16.097 -7.739 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 67 -15.124 -7.529 7.714 1.00 0.00 H new ATOM 1066 N HIS A 68 -14.161 -7.913 3.310 1.00 0.00 N ATOM 1067 CA HIS A 68 -14.733 -8.842 2.344 1.00 0.00 C ATOM 1068 C HIS A 68 -14.143 -10.242 2.506 1.00 0.00 C ATOM 1069 O HIS A 68 -14.792 -11.231 2.171 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.502 -8.339 0.917 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.282 -7.104 0.576 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -15.095 -5.889 1.202 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -16.267 -6.906 -0.333 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -15.928 -4.999 0.694 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -16.649 -5.591 -0.240 1.00 0.00 N ATOM 0 H HIS A 68 -13.817 -7.042 2.905 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.805 -8.899 2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.440 -8.135 0.781 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.767 -9.130 0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.676 -7.645 -1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.006 -3.964 0.992 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -17.373 -5.143 -0.802 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.911 -10.313 3.031 1.00 0.00 N ATOM 1085 CA GLU A 69 -12.216 -11.594 3.249 1.00 0.00 C ATOM 1086 C GLU A 69 -10.704 -11.394 3.296 1.00 0.00 C ATOM 1087 O GLU A 69 -9.948 -12.142 2.676 1.00 0.00 O ATOM 1088 CB GLU A 69 -12.550 -12.605 2.148 1.00 0.00 C ATOM 1089 CG GLU A 69 -12.234 -12.097 0.753 1.00 0.00 C ATOM 1090 CD GLU A 69 -12.606 -13.089 -0.334 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -13.114 -14.180 0.005 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -12.390 -12.775 -1.523 1.00 0.00 O ATOM 0 H GLU A 69 -12.372 -9.495 3.314 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.561 -11.984 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.993 -13.525 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.609 -12.857 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.767 -11.162 0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.169 -11.874 0.685 1.00 0.00 H new ATOM 1099 N THR A 70 -10.270 -10.381 4.029 1.00 0.00 N ATOM 1100 CA THR A 70 -8.852 -10.079 4.154 1.00 0.00 C ATOM 1101 C THR A 70 -8.247 -10.738 5.391 1.00 0.00 C ATOM 1102 O THR A 70 -7.657 -11.814 5.300 1.00 0.00 O ATOM 1103 CB THR A 70 -8.656 -8.562 4.192 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.932 -7.994 2.925 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.264 -8.126 4.602 1.00 0.00 C ATOM 0 H THR A 70 -10.882 -9.751 4.548 1.00 0.00 H new ATOM 0 HA THR A 70 -8.331 -10.486 3.287 1.00 0.00 H new ATOM 0 HB THR A 70 -9.353 -8.208 4.952 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.894 -8.049 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.209 -7.037 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.045 -8.502 5.601 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.535 -8.525 3.896 1.00 0.00 H new ATOM 1113 N LYS A 71 -8.385 -10.078 6.539 1.00 0.00 N ATOM 1114 CA LYS A 71 -7.843 -10.583 7.800 1.00 0.00 C ATOM 1115 C LYS A 71 -6.324 -10.412 7.867 1.00 0.00 C ATOM 1116 O LYS A 71 -5.725 -10.564 8.932 1.00 0.00 O ATOM 1117 CB LYS A 71 -8.210 -12.059 8.017 1.00 0.00 C ATOM 1118 CG LYS A 71 -9.702 -12.314 8.190 1.00 0.00 C ATOM 1119 CD LYS A 71 -10.495 -11.932 6.950 1.00 0.00 C ATOM 1120 CE LYS A 71 -11.956 -12.331 7.083 1.00 0.00 C ATOM 1121 NZ LYS A 71 -12.120 -13.800 7.266 1.00 0.00 N ATOM 0 H LYS A 71 -8.871 -9.185 6.622 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.294 -9.991 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.850 -12.640 7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.686 -12.426 8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.866 -13.368 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.070 -11.746 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.423 -10.857 6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.062 -12.417 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.398 -11.809 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.501 -12.014 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.875 -14.146 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.228 -14.281 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.372 -14.001 8.255 1.00 0.00 H new ATOM 1135 N HIS A 72 -5.699 -10.093 6.733 1.00 0.00 N ATOM 1136 CA HIS A 72 -4.253 -9.903 6.687 1.00 0.00 C ATOM 1137 C HIS A 72 -3.908 -8.703 5.805 1.00 0.00 C ATOM 1138 O HIS A 72 -3.603 -8.858 4.623 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.576 -11.166 6.151 1.00 0.00 C ATOM 1140 CG HIS A 72 -2.141 -11.304 6.559 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -1.334 -12.336 6.129 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -1.375 -10.548 7.383 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -0.135 -12.210 6.672 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -0.135 -11.133 7.436 1.00 0.00 N ATOM 0 H HIS A 72 -6.171 -9.962 5.838 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.889 -9.711 7.696 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.128 -12.039 6.500 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.636 -11.165 5.063 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -1.618 -13.080 5.492 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.683 -9.652 7.901 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.702 -12.875 6.517 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.983 -7.506 6.384 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.704 -6.277 5.645 1.00 0.00 C ATOM 1155 C PHE A 73 -2.406 -5.619 6.110 1.00 0.00 C ATOM 1156 O PHE A 73 -1.666 -6.176 6.922 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.866 -5.290 5.823 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.970 -4.727 7.215 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -4.045 -3.800 7.672 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -5.978 -5.137 8.073 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -4.121 -3.293 8.950 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -6.061 -4.630 9.357 1.00 0.00 C ATOM 1163 CZ PHE A 73 -5.130 -3.707 9.796 1.00 0.00 C ATOM 0 H PHE A 73 -4.234 -7.361 7.362 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.592 -6.541 4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.746 -4.469 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.800 -5.792 5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.253 -3.471 7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.706 -5.860 7.736 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.392 -2.572 9.290 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.852 -4.955 10.016 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.192 -3.311 10.799 1.00 0.00 H new ATOM 1173 N ILE A 74 -2.158 -4.413 5.602 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.976 -3.644 5.971 1.00 0.00 C ATOM 1175 C ILE A 74 -1.166 -2.163 5.635 1.00 0.00 C ATOM 1176 O ILE A 74 -1.255 -1.789 4.466 1.00 0.00 O ATOM 1177 CB ILE A 74 0.289 -4.164 5.263 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.511 -3.373 5.735 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.137 -4.078 3.750 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.779 -3.711 4.986 1.00 0.00 C ATOM 0 H ILE A 74 -2.766 -3.947 4.929 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.845 -3.762 7.047 1.00 0.00 H new ATOM 0 HB ILE A 74 0.430 -5.213 5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.308 -2.308 5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.666 -3.560 6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.043 -4.451 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.714 -4.681 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.026 -3.040 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.602 -3.112 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.007 -4.769 5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.644 -3.497 3.926 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.234 -1.324 6.666 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.421 0.115 6.471 1.00 0.00 C ATOM 1194 C TYR A 75 -0.105 0.874 6.614 1.00 0.00 C ATOM 1195 O TYR A 75 0.805 0.433 7.317 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.432 0.675 7.479 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.848 0.162 7.317 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -4.166 -0.815 6.381 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.871 0.665 8.110 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.462 -1.274 6.240 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -6.170 0.211 7.974 1.00 0.00 C ATOM 1202 CZ TYR A 75 -6.460 -0.758 7.039 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.750 -1.213 6.901 1.00 0.00 O ATOM 0 H TYR A 75 -1.163 -1.612 7.642 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.800 0.253 5.458 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.088 0.437 8.486 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.443 1.762 7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.387 -1.222 5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.648 1.424 8.846 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.692 -2.033 5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.954 0.614 8.598 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.331 -0.748 7.539 1.00 0.00 H new ATOM 1213 N PHE A 76 -0.021 2.030 5.957 1.00 0.00 N ATOM 1214 CA PHE A 76 1.174 2.862 6.027 1.00 0.00 C ATOM 1215 C PHE A 76 0.921 4.226 5.388 1.00 0.00 C ATOM 1216 O PHE A 76 0.275 4.328 4.342 1.00 0.00 O ATOM 1217 CB PHE A 76 2.361 2.152 5.370 1.00 0.00 C ATOM 1218 CG PHE A 76 2.133 1.773 3.938 1.00 0.00 C ATOM 1219 CD1 PHE A 76 2.170 2.729 2.939 1.00 0.00 C ATOM 1220 CD2 PHE A 76 1.879 0.455 3.592 1.00 0.00 C ATOM 1221 CE1 PHE A 76 1.960 2.379 1.620 1.00 0.00 C ATOM 1222 CE2 PHE A 76 1.667 0.099 2.274 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.709 1.063 1.286 1.00 0.00 C ATOM 0 H PHE A 76 -0.766 2.409 5.372 1.00 0.00 H new ATOM 0 HA PHE A 76 1.420 3.028 7.076 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.235 2.800 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.593 1.252 5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.365 3.760 3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.846 -0.302 4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.992 3.135 0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.469 -0.931 2.017 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.546 0.788 0.254 1.00 0.00 H new ATOM 1233 N TYR A 77 1.411 5.272 6.047 1.00 0.00 N ATOM 1234 CA TYR A 77 1.223 6.641 5.578 1.00 0.00 C ATOM 1235 C TYR A 77 2.404 7.098 4.722 1.00 0.00 C ATOM 1236 O TYR A 77 3.562 6.898 5.090 1.00 0.00 O ATOM 1237 CB TYR A 77 1.071 7.572 6.785 1.00 0.00 C ATOM 1238 CG TYR A 77 0.490 8.937 6.474 1.00 0.00 C ATOM 1239 CD1 TYR A 77 -0.169 9.189 5.275 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.584 9.970 7.397 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -0.709 10.432 5.008 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.044 11.214 7.135 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.600 11.440 5.939 1.00 0.00 C ATOM 1244 OH TYR A 77 -1.140 12.678 5.675 1.00 0.00 O ATOM 0 H TYR A 77 1.945 5.196 6.913 1.00 0.00 H new ATOM 0 HA TYR A 77 0.324 6.676 4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.436 7.083 7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.050 7.707 7.246 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.260 8.401 4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.088 9.798 8.336 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.215 10.613 4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.126 12.006 7.865 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.414 13.101 6.515 1.00 0.00 H new ATOM 1254 N LEU A 78 2.105 7.722 3.585 1.00 0.00 N ATOM 1255 CA LEU A 78 3.145 8.216 2.687 1.00 0.00 C ATOM 1256 C LEU A 78 2.860 9.657 2.276 1.00 0.00 C ATOM 1257 O LEU A 78 1.777 9.966 1.776 1.00 0.00 O ATOM 1258 CB LEU A 78 3.248 7.331 1.444 1.00 0.00 C ATOM 1259 CG LEU A 78 3.604 5.870 1.718 1.00 0.00 C ATOM 1260 CD1 LEU A 78 3.727 5.095 0.415 1.00 0.00 C ATOM 1261 CD2 LEU A 78 4.895 5.778 2.519 1.00 0.00 C ATOM 0 H LEU A 78 1.153 7.897 3.264 1.00 0.00 H new ATOM 0 HA LEU A 78 4.095 8.184 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.296 7.364 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.000 7.753 0.777 1.00 0.00 H new ATOM 0 HG LEU A 78 2.801 5.425 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.981 4.057 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.779 5.132 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.510 5.539 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.134 4.731 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.706 6.241 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.771 6.297 3.470 1.00 0.00 H new ATOM 1273 N GLY A 79 3.832 10.539 2.496 1.00 0.00 N ATOM 1274 CA GLY A 79 3.652 11.938 2.149 1.00 0.00 C ATOM 1275 C GLY A 79 2.388 12.516 2.751 1.00 0.00 C ATOM 1276 O GLY A 79 2.288 12.668 3.969 1.00 0.00 O ATOM 0 H GLY A 79 4.737 10.311 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.513 12.511 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.616 12.040 1.064 1.00 0.00 H new ATOM 1280 N GLN A 80 1.413 12.820 1.902 1.00 0.00 N ATOM 1281 CA GLN A 80 0.145 13.364 2.365 1.00 0.00 C ATOM 1282 C GLN A 80 -1.018 12.569 1.795 1.00 0.00 C ATOM 1283 O GLN A 80 -1.969 13.128 1.248 1.00 0.00 O ATOM 1284 CB GLN A 80 0.018 14.847 2.007 1.00 0.00 C ATOM 1285 CG GLN A 80 0.961 15.733 2.805 1.00 0.00 C ATOM 1286 CD GLN A 80 0.831 15.534 4.310 1.00 0.00 C ATOM 1287 OE1 GLN A 80 1.701 15.954 5.074 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -0.269 14.925 4.751 1.00 0.00 N ATOM 0 H GLN A 80 1.477 12.699 0.891 1.00 0.00 H new ATOM 0 HA GLN A 80 0.118 13.280 3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.219 14.977 0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.009 15.170 2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.988 15.526 2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.762 16.777 2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.968 14.591 4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.412 14.793 5.752 1.00 0.00 H new ATOM 1297 N VAL A 81 -0.920 11.254 1.937 1.00 0.00 N ATOM 1298 CA VAL A 81 -1.940 10.335 1.449 1.00 0.00 C ATOM 1299 C VAL A 81 -1.828 8.984 2.152 1.00 0.00 C ATOM 1300 O VAL A 81 -0.726 8.467 2.354 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.798 10.115 -0.069 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.831 9.117 -0.575 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -1.918 11.433 -0.821 1.00 0.00 C ATOM 0 H VAL A 81 -0.132 10.794 2.393 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.912 10.780 1.662 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.806 9.702 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.709 8.980 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.692 8.162 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.833 9.494 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.814 11.252 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.892 11.879 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.133 12.113 -0.490 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.971 8.408 2.509 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.995 7.111 3.172 1.00 0.00 C ATOM 1315 C ALA A 82 -2.922 5.990 2.142 1.00 0.00 C ATOM 1316 O ALA A 82 -3.623 6.020 1.130 1.00 0.00 O ATOM 1317 CB ALA A 82 -4.247 6.968 4.025 1.00 0.00 C ATOM 0 H ALA A 82 -3.891 8.819 2.350 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.126 7.041 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.246 5.993 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.263 7.752 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.130 7.057 3.393 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.070 5.004 2.399 1.00 0.00 N ATOM 1324 CA ILE A 83 -1.915 3.884 1.481 1.00 0.00 C ATOM 1325 C ILE A 83 -1.878 2.579 2.252 1.00 0.00 C ATOM 1326 O ILE A 83 -1.175 2.467 3.257 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.624 4.027 0.647 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.642 5.353 -0.104 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.466 2.864 -0.325 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.609 5.612 -0.913 1.00 0.00 C ATOM 0 H ILE A 83 -1.480 4.958 3.230 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.769 3.883 0.803 1.00 0.00 H new ATOM 0 HB ILE A 83 0.230 4.011 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.505 5.371 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.775 6.164 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.452 2.992 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.419 1.928 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.318 2.839 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.523 6.574 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.474 5.627 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.733 4.822 -1.654 1.00 0.00 H new ATOM 1342 N LEU A 84 -2.634 1.589 1.792 1.00 0.00 N ATOM 1343 CA LEU A 84 -2.651 0.309 2.488 1.00 0.00 C ATOM 1344 C LEU A 84 -2.886 -0.862 1.546 1.00 0.00 C ATOM 1345 O LEU A 84 -3.636 -0.767 0.576 1.00 0.00 O ATOM 1346 CB LEU A 84 -3.685 0.306 3.624 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.064 0.882 3.292 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -4.976 2.381 3.047 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.657 0.180 2.087 1.00 0.00 C ATOM 0 H LEU A 84 -3.227 1.643 0.964 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.660 0.179 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.817 -0.722 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.273 0.868 4.462 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.720 0.714 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.967 2.770 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.595 2.874 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.303 2.574 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.637 0.602 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.001 0.316 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.760 -0.884 2.300 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.225 -1.971 1.850 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.339 -3.180 1.055 1.00 0.00 C ATOM 1363 C LEU A 85 -2.945 -4.300 1.884 1.00 0.00 C ATOM 1364 O LEU A 85 -2.876 -4.285 3.113 1.00 0.00 O ATOM 1365 CB LEU A 85 -0.964 -3.595 0.528 1.00 0.00 C ATOM 1366 CG LEU A 85 -0.944 -4.894 -0.277 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -1.858 -4.788 -1.488 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.476 -5.226 -0.704 1.00 0.00 C ATOM 0 H LEU A 85 -1.599 -2.055 2.651 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.994 -2.981 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.574 -2.792 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.284 -3.699 1.374 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.313 -5.701 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.830 -5.723 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.878 -4.593 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.522 -3.972 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.476 -6.154 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.869 -4.418 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.103 -5.345 0.179 1.00 0.00 H new ATOM 1380 N PHE A 86 -3.552 -5.266 1.213 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.178 -6.381 1.908 1.00 0.00 C ATOM 1382 C PHE A 86 -4.471 -7.544 0.971 1.00 0.00 C ATOM 1383 O PHE A 86 -4.571 -7.371 -0.241 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.477 -5.922 2.563 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.374 -5.170 1.626 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.114 -3.845 1.308 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.467 -5.792 1.048 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -6.931 -3.156 0.434 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.287 -5.107 0.173 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.018 -3.787 -0.135 1.00 0.00 C ATOM 0 H PHE A 86 -3.625 -5.302 0.196 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.476 -6.727 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.010 -6.792 2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.242 -5.288 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.263 -3.347 1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.681 -6.824 1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.719 -2.124 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.138 -5.603 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.658 -3.250 -0.820 1.00 0.00 H new ATOM 1400 N LYS A 87 -4.620 -8.730 1.553 1.00 0.00 N ATOM 1401 CA LYS A 87 -4.917 -9.932 0.787 1.00 0.00 C ATOM 1402 C LYS A 87 -6.358 -10.360 1.039 1.00 0.00 C ATOM 1403 O LYS A 87 -6.617 -11.299 1.791 1.00 0.00 O ATOM 1404 CB LYS A 87 -3.954 -11.059 1.176 1.00 0.00 C ATOM 1405 CG LYS A 87 -3.948 -12.245 0.217 1.00 0.00 C ATOM 1406 CD LYS A 87 -5.280 -12.985 0.202 1.00 0.00 C ATOM 1407 CE LYS A 87 -5.192 -14.266 -0.609 1.00 0.00 C ATOM 1408 NZ LYS A 87 -4.172 -15.203 -0.059 1.00 0.00 N ATOM 0 H LYS A 87 -4.539 -8.883 2.558 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.790 -9.718 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.945 -10.652 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.215 -11.415 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.719 -11.894 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.155 -12.936 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.580 -13.219 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.052 -12.340 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.166 -14.756 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.944 -14.025 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.374 -16.168 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.227 -14.917 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.203 -15.178 0.980 1.00 0.00 H new ATOM 1422 N SER A 88 -7.294 -9.660 0.410 1.00 0.00 N ATOM 1423 CA SER A 88 -8.707 -9.967 0.570 1.00 0.00 C ATOM 1424 C SER A 88 -9.072 -11.227 -0.208 1.00 0.00 C ATOM 1425 O SER A 88 -9.715 -11.159 -1.256 1.00 0.00 O ATOM 1426 CB SER A 88 -9.564 -8.793 0.094 1.00 0.00 C ATOM 1427 OG SER A 88 -9.334 -8.516 -1.276 1.00 0.00 O ATOM 0 H SER A 88 -7.099 -8.877 -0.214 1.00 0.00 H new ATOM 0 HA SER A 88 -8.902 -10.140 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.618 -9.022 0.250 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.338 -7.909 0.690 1.00 0.00 H new ATOM 0 HG SER A 88 -9.412 -9.344 -1.795 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.657 -12.379 0.312 1.00 0.00 N ATOM 1434 CA GLY A 89 -8.949 -13.639 -0.347 1.00 0.00 C ATOM 1435 C GLY A 89 -9.589 -14.649 0.586 1.00 0.00 C ATOM 1436 O GLY A 89 -10.461 -15.414 0.125 1.00 0.00 O ATOM 1437 OXT GLY A 89 -9.217 -14.674 1.779 1.00 0.00 O ATOM 0 H GLY A 89 -8.124 -12.462 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.614 -13.458 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.027 -14.056 -0.751 1.00 0.00 H new TER 1441 GLY A 89