USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 849 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 85 SER OG : rot 180:sc= -2.19 USER MOD Set 1.2: A 102 HIS : no HD1:sc= 0 X(o=-2.2,f=-2.2) USER MOD Single : A 1 ALA N :NH3+ 176:sc= -0.123 (180deg=-0.135) USER MOD Single : A 2 GLN : amide:sc= -0.395 K(o=-0.4,f=-3!) USER MOD Single : A 5 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.16 K(o=-2.2,f=-8.1!) USER MOD Single : A 16 THR OG1 : rot 65:sc= 1.03 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -2.77 K(o=-2.8,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -4.63! C(o=-4.6!,f=-5.8!) USER MOD Single : A 24 TYR OH : rot -14:sc= -0.351 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -5.32! C(o=-5.3!,f=-1.6!) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0271) USER MOD Single : A 50 SER OG : rot 166:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.765 X(o=-0.77,f=-0.65) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 55:sc= 0.00518 USER MOD Single : A 84 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3.5!) USER MOD Single : A 90 TYR OH : rot 90:sc= -2.41! USER MOD Single : A 91 SER OG : rot -106:sc= -3.44! USER MOD Single : A 92 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 97 TYR OH : rot -16:sc= -1.34! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 100:sc= -0.613 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00565 USER MOD Single : A 103 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 105 THR OG1 : rot -169:sc= -1.48 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.548 18.933 1.991 1.00 0.00 N ATOM 2 CA ALA A 1 9.076 17.688 2.618 1.00 0.00 C ATOM 3 C ALA A 1 7.911 16.841 3.136 1.00 0.00 C ATOM 4 O ALA A 1 8.100 15.747 3.632 1.00 0.00 O ATOM 5 CB ALA A 1 9.996 18.054 3.783 1.00 0.00 C ATOM 0 H1 ALA A 1 9.342 19.539 1.700 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.977 18.687 1.157 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.956 19.443 2.677 1.00 0.00 H new ATOM 0 HA ALA A 1 9.636 17.119 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.382 17.144 4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.827 18.656 3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.436 18.624 4.524 1.00 0.00 H new ATOM 13 N GLN A 2 6.707 17.334 3.026 1.00 0.00 N ATOM 14 CA GLN A 2 5.535 16.554 3.514 1.00 0.00 C ATOM 15 C GLN A 2 5.253 15.400 2.548 1.00 0.00 C ATOM 16 O GLN A 2 4.533 15.550 1.581 1.00 0.00 O ATOM 17 CB GLN A 2 4.310 17.468 3.590 1.00 0.00 C ATOM 18 CG GLN A 2 3.108 16.673 4.101 1.00 0.00 C ATOM 19 CD GLN A 2 1.895 16.955 3.212 1.00 0.00 C ATOM 20 OE1 GLN A 2 1.923 17.855 2.395 1.00 0.00 O ATOM 21 NE2 GLN A 2 0.823 16.220 3.335 1.00 0.00 N ATOM 0 H GLN A 2 6.485 18.243 2.619 1.00 0.00 H new ATOM 0 HA GLN A 2 5.751 16.154 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.512 18.309 4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 2 4.092 17.884 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.335 15.607 4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.888 16.948 5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.798 15.465 4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.010 16.401 2.746 1.00 0.00 H new ATOM 30 N VAL A 3 5.816 14.250 2.801 1.00 0.00 N ATOM 31 CA VAL A 3 5.579 13.090 1.897 1.00 0.00 C ATOM 32 C VAL A 3 4.230 12.449 2.228 1.00 0.00 C ATOM 33 O VAL A 3 3.576 12.818 3.183 1.00 0.00 O ATOM 34 CB VAL A 3 6.691 12.057 2.086 1.00 0.00 C ATOM 35 CG1 VAL A 3 6.760 11.151 0.856 1.00 0.00 C ATOM 36 CG2 VAL A 3 8.030 12.777 2.262 1.00 0.00 C ATOM 0 H VAL A 3 6.430 14.064 3.594 1.00 0.00 H new ATOM 0 HA VAL A 3 5.574 13.435 0.863 1.00 0.00 H new ATOM 0 HB VAL A 3 6.481 11.455 2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.552 10.415 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.807 10.639 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.970 11.753 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.823 12.042 2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.239 13.378 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.983 13.424 3.138 1.00 0.00 H new ATOM 46 N ILE A 4 3.812 11.493 1.446 1.00 0.00 N ATOM 47 CA ILE A 4 2.506 10.827 1.715 1.00 0.00 C ATOM 48 C ILE A 4 2.737 9.331 1.941 1.00 0.00 C ATOM 49 O ILE A 4 2.826 8.559 1.006 1.00 0.00 O ATOM 50 CB ILE A 4 1.578 11.026 0.516 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.290 12.519 0.336 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.263 10.282 0.759 1.00 0.00 C ATOM 53 CD1 ILE A 4 1.933 13.010 -0.963 1.00 0.00 C ATOM 0 H ILE A 4 4.318 11.144 0.632 1.00 0.00 H new ATOM 0 HA ILE A 4 2.049 11.263 2.603 1.00 0.00 H new ATOM 0 HB ILE A 4 2.057 10.636 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.214 12.692 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.683 13.081 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.399 10.424 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.465 9.219 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.216 10.673 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.728 14.073 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.010 12.851 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.519 12.456 -1.806 1.00 0.00 H new ATOM 65 N ASN A 5 2.839 8.915 3.173 1.00 0.00 N ATOM 66 CA ASN A 5 3.068 7.470 3.455 1.00 0.00 C ATOM 67 C ASN A 5 2.285 7.060 4.704 1.00 0.00 C ATOM 68 O ASN A 5 2.805 6.411 5.589 1.00 0.00 O ATOM 69 CB ASN A 5 4.560 7.227 3.686 1.00 0.00 C ATOM 70 CG ASN A 5 4.975 7.830 5.029 1.00 0.00 C ATOM 71 OD1 ASN A 5 5.002 9.035 5.185 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.300 7.037 6.014 1.00 0.00 N ATOM 0 H ASN A 5 2.774 9.513 3.997 1.00 0.00 H new ATOM 0 HA ASN A 5 2.729 6.877 2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.771 6.158 3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.141 7.675 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.576 7.429 6.914 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.277 6.026 5.883 1.00 0.00 H new ATOM 79 N THR A 6 1.036 7.430 4.782 1.00 0.00 N ATOM 80 CA THR A 6 0.221 7.058 5.973 1.00 0.00 C ATOM 81 C THR A 6 -1.162 6.591 5.515 1.00 0.00 C ATOM 82 O THR A 6 -1.404 6.393 4.342 1.00 0.00 O ATOM 83 CB THR A 6 0.069 8.275 6.888 1.00 0.00 C ATOM 84 OG1 THR A 6 0.259 9.461 6.130 1.00 0.00 O ATOM 85 CG2 THR A 6 1.110 8.208 8.007 1.00 0.00 C ATOM 0 H THR A 6 0.545 7.974 4.073 1.00 0.00 H new ATOM 0 HA THR A 6 0.717 6.254 6.517 1.00 0.00 H new ATOM 0 HB THR A 6 -0.929 8.279 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.160 10.242 6.714 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.001 9.075 8.658 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.962 7.298 8.588 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.110 8.203 7.574 1.00 0.00 H new ATOM 93 N PHE A 7 -2.072 6.413 6.433 1.00 0.00 N ATOM 94 CA PHE A 7 -3.438 5.960 6.048 1.00 0.00 C ATOM 95 C PHE A 7 -4.221 7.140 5.473 1.00 0.00 C ATOM 96 O PHE A 7 -4.663 7.112 4.344 1.00 0.00 O ATOM 97 CB PHE A 7 -4.164 5.420 7.283 1.00 0.00 C ATOM 98 CG PHE A 7 -3.605 4.067 7.647 1.00 0.00 C ATOM 99 CD1 PHE A 7 -3.812 2.973 6.798 1.00 0.00 C ATOM 100 CD2 PHE A 7 -2.880 3.906 8.833 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.293 1.717 7.137 1.00 0.00 C ATOM 102 CE2 PHE A 7 -2.363 2.650 9.172 1.00 0.00 C ATOM 103 CZ PHE A 7 -2.569 1.555 8.323 1.00 0.00 C ATOM 0 H PHE A 7 -1.929 6.562 7.432 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.362 5.173 5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.045 6.110 8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.233 5.342 7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.371 3.098 5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.719 4.751 9.487 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.452 0.873 6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.805 2.525 10.088 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.169 0.586 8.584 1.00 0.00 H new ATOM 113 N ASP A 8 -4.397 8.177 6.243 1.00 0.00 N ATOM 114 CA ASP A 8 -5.151 9.361 5.742 1.00 0.00 C ATOM 115 C ASP A 8 -4.317 10.100 4.691 1.00 0.00 C ATOM 116 O ASP A 8 -4.846 10.702 3.777 1.00 0.00 O ATOM 117 CB ASP A 8 -5.453 10.304 6.908 1.00 0.00 C ATOM 118 CG ASP A 8 -6.947 10.255 7.230 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.466 9.161 7.378 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.548 11.313 7.322 1.00 0.00 O ATOM 0 H ASP A 8 -4.051 8.256 7.199 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.085 9.027 5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.872 10.015 7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.159 11.322 6.652 1.00 0.00 H new ATOM 125 N GLY A 9 -3.018 10.065 4.817 1.00 0.00 N ATOM 126 CA GLY A 9 -2.154 10.774 3.830 1.00 0.00 C ATOM 127 C GLY A 9 -2.240 10.075 2.474 1.00 0.00 C ATOM 128 O GLY A 9 -2.496 10.696 1.460 1.00 0.00 O ATOM 0 H GLY A 9 -2.518 9.577 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.471 11.813 3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.121 10.786 4.179 1.00 0.00 H new ATOM 132 N VAL A 10 -2.026 8.791 2.445 1.00 0.00 N ATOM 133 CA VAL A 10 -2.095 8.057 1.149 1.00 0.00 C ATOM 134 C VAL A 10 -3.530 8.089 0.626 1.00 0.00 C ATOM 135 O VAL A 10 -3.770 8.363 -0.531 1.00 0.00 O ATOM 136 CB VAL A 10 -1.651 6.608 1.357 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.738 5.851 0.031 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.206 6.588 1.860 1.00 0.00 C ATOM 0 H VAL A 10 -1.807 8.217 3.259 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.435 8.532 0.423 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.301 6.130 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.421 4.819 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.766 5.867 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.088 6.327 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.113 5.556 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.442 7.066 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.142 7.128 2.805 1.00 0.00 H new ATOM 148 N ALA A 11 -4.488 7.823 1.470 1.00 0.00 N ATOM 149 CA ALA A 11 -5.904 7.857 1.015 1.00 0.00 C ATOM 150 C ALA A 11 -6.184 9.233 0.412 1.00 0.00 C ATOM 151 O ALA A 11 -6.868 9.364 -0.584 1.00 0.00 O ATOM 152 CB ALA A 11 -6.832 7.620 2.208 1.00 0.00 C ATOM 0 H ALA A 11 -4.351 7.584 2.452 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.078 7.079 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.869 7.645 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.617 6.647 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.673 8.399 2.953 1.00 0.00 H new ATOM 158 N ASP A 12 -5.643 10.260 1.009 1.00 0.00 N ATOM 159 CA ASP A 12 -5.857 11.633 0.474 1.00 0.00 C ATOM 160 C ASP A 12 -5.261 11.720 -0.930 1.00 0.00 C ATOM 161 O ASP A 12 -5.935 12.063 -1.881 1.00 0.00 O ATOM 162 CB ASP A 12 -5.158 12.646 1.382 1.00 0.00 C ATOM 163 CG ASP A 12 -6.199 13.388 2.220 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.298 12.874 2.357 1.00 0.00 O ATOM 165 OD2 ASP A 12 -5.882 14.459 2.712 1.00 0.00 O ATOM 0 H ASP A 12 -5.061 10.206 1.845 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.924 11.851 0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.448 12.136 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.588 13.355 0.782 1.00 0.00 H new ATOM 170 N TYR A 13 -4.003 11.404 -1.069 1.00 0.00 N ATOM 171 CA TYR A 13 -3.371 11.464 -2.414 1.00 0.00 C ATOM 172 C TYR A 13 -4.138 10.547 -3.367 1.00 0.00 C ATOM 173 O TYR A 13 -4.101 10.713 -4.572 1.00 0.00 O ATOM 174 CB TYR A 13 -1.916 11.001 -2.318 1.00 0.00 C ATOM 175 CG TYR A 13 -1.190 11.353 -3.594 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.236 10.481 -4.689 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.471 12.551 -3.684 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.564 10.807 -5.872 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.201 12.877 -4.866 1.00 0.00 C ATOM 180 CZ TYR A 13 0.155 12.005 -5.961 1.00 0.00 C ATOM 181 OH TYR A 13 0.819 12.327 -7.127 1.00 0.00 O ATOM 0 H TYR A 13 -3.388 11.108 -0.311 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.398 12.488 -2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.428 11.475 -1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.876 9.925 -2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.790 9.557 -4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.435 13.224 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.600 10.135 -6.716 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.756 13.801 -4.935 1.00 0.00 H new ATOM 0 HH TYR A 13 1.267 13.192 -7.020 1.00 0.00 H new ATOM 191 N LEU A 14 -4.842 9.584 -2.833 1.00 0.00 N ATOM 192 CA LEU A 14 -5.619 8.657 -3.697 1.00 0.00 C ATOM 193 C LEU A 14 -6.818 9.406 -4.278 1.00 0.00 C ATOM 194 O LEU A 14 -6.932 9.581 -5.471 1.00 0.00 O ATOM 195 CB LEU A 14 -6.104 7.469 -2.862 1.00 0.00 C ATOM 196 CG LEU A 14 -5.074 6.337 -2.929 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.001 5.635 -1.572 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.496 5.326 -3.998 1.00 0.00 C ATOM 0 H LEU A 14 -4.910 9.402 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.990 8.290 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.254 7.776 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.067 7.120 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.097 6.750 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.268 4.829 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.704 6.352 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.979 5.223 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.763 4.520 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.473 4.914 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.553 5.823 -4.966 1.00 0.00 H new ATOM 210 N GLN A 15 -7.711 9.859 -3.444 1.00 0.00 N ATOM 211 CA GLN A 15 -8.893 10.610 -3.959 1.00 0.00 C ATOM 212 C GLN A 15 -8.441 11.986 -4.458 1.00 0.00 C ATOM 213 O GLN A 15 -9.216 12.742 -5.009 1.00 0.00 O ATOM 214 CB GLN A 15 -9.916 10.782 -2.835 1.00 0.00 C ATOM 215 CG GLN A 15 -10.514 9.421 -2.479 1.00 0.00 C ATOM 216 CD GLN A 15 -11.463 9.576 -1.288 1.00 0.00 C ATOM 217 OE1 GLN A 15 -11.547 8.703 -0.447 1.00 0.00 O ATOM 218 NE2 GLN A 15 -12.185 10.657 -1.182 1.00 0.00 N ATOM 0 H GLN A 15 -7.676 9.743 -2.431 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.349 10.057 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.440 11.222 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.704 11.467 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.051 9.013 -3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.720 8.715 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.114 11.389 -1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.821 10.770 -0.393 1.00 0.00 H new ATOM 227 N THR A 16 -7.192 12.321 -4.262 1.00 0.00 N ATOM 228 CA THR A 16 -6.694 13.650 -4.719 1.00 0.00 C ATOM 229 C THR A 16 -6.173 13.547 -6.148 1.00 0.00 C ATOM 230 O THR A 16 -6.752 14.076 -7.076 1.00 0.00 O ATOM 231 CB THR A 16 -5.564 14.115 -3.798 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.094 14.410 -2.513 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.911 15.369 -4.382 1.00 0.00 C ATOM 0 H THR A 16 -6.497 11.731 -3.805 1.00 0.00 H new ATOM 0 HA THR A 16 -7.513 14.369 -4.687 1.00 0.00 H new ATOM 0 HB THR A 16 -4.817 13.326 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.435 13.588 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.106 15.700 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.505 15.142 -5.368 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.656 16.160 -4.470 1.00 0.00 H new ATOM 241 N TYR A 17 -5.082 12.874 -6.324 1.00 0.00 N ATOM 242 CA TYR A 17 -4.502 12.728 -7.690 1.00 0.00 C ATOM 243 C TYR A 17 -5.087 11.484 -8.362 1.00 0.00 C ATOM 244 O TYR A 17 -4.873 11.238 -9.533 1.00 0.00 O ATOM 245 CB TYR A 17 -2.982 12.588 -7.588 1.00 0.00 C ATOM 246 CG TYR A 17 -2.380 13.919 -7.208 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.125 14.879 -8.195 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.079 14.194 -5.869 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.569 16.115 -7.842 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.521 15.429 -5.516 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.267 16.389 -6.503 1.00 0.00 C ATOM 252 OH TYR A 17 -0.718 17.607 -6.155 1.00 0.00 O ATOM 0 H TYR A 17 -4.558 12.413 -5.580 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.745 13.609 -8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.724 11.834 -6.844 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.572 12.250 -8.540 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.357 14.666 -9.228 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.277 13.454 -5.108 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.373 16.856 -8.603 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.287 15.641 -4.483 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.571 17.635 -5.187 1.00 0.00 H new ATOM 262 N HIS A 18 -5.827 10.701 -7.629 1.00 0.00 N ATOM 263 CA HIS A 18 -6.434 9.475 -8.217 1.00 0.00 C ATOM 264 C HIS A 18 -5.331 8.540 -8.711 1.00 0.00 C ATOM 265 O HIS A 18 -5.279 8.176 -9.868 1.00 0.00 O ATOM 266 CB HIS A 18 -7.351 9.873 -9.374 1.00 0.00 C ATOM 267 CG HIS A 18 -8.613 10.460 -8.805 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.775 10.588 -9.547 1.00 0.00 N ATOM 269 CD2 HIS A 18 -8.909 10.947 -7.556 1.00 0.00 C ATOM 270 CE1 HIS A 18 -10.709 11.131 -8.742 1.00 0.00 C ATOM 271 NE2 HIS A 18 -10.232 11.370 -7.519 1.00 0.00 N ATOM 0 H HIS A 18 -6.039 10.858 -6.644 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.020 8.954 -7.460 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.854 10.598 -10.019 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.582 9.004 -9.990 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.218 10.994 -6.727 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.722 11.347 -9.050 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.731 11.776 -6.727 1.00 0.00 H new ATOM 279 N LYS A 19 -4.452 8.149 -7.828 1.00 0.00 N ATOM 280 CA LYS A 19 -3.341 7.232 -8.211 1.00 0.00 C ATOM 281 C LYS A 19 -2.235 7.331 -7.161 1.00 0.00 C ATOM 282 O LYS A 19 -1.798 8.409 -6.810 1.00 0.00 O ATOM 283 CB LYS A 19 -2.777 7.631 -9.577 1.00 0.00 C ATOM 284 CG LYS A 19 -2.612 9.151 -9.640 1.00 0.00 C ATOM 285 CD LYS A 19 -1.643 9.513 -10.767 1.00 0.00 C ATOM 286 CE LYS A 19 -2.358 9.389 -12.114 1.00 0.00 C ATOM 287 NZ LYS A 19 -1.730 10.316 -13.096 1.00 0.00 N ATOM 0 H LYS A 19 -4.457 8.429 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.718 6.211 -8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.816 7.144 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.445 7.294 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.578 9.626 -9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.236 9.526 -8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.274 10.530 -10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.776 8.853 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.298 8.363 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.416 9.625 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.215 10.232 -14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.809 11.294 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.726 10.070 -13.213 1.00 0.00 H new ATOM 301 N LEU A 20 -1.779 6.218 -6.653 1.00 0.00 N ATOM 302 CA LEU A 20 -0.701 6.262 -5.626 1.00 0.00 C ATOM 303 C LEU A 20 0.371 7.261 -6.071 1.00 0.00 C ATOM 304 O LEU A 20 0.614 7.418 -7.251 1.00 0.00 O ATOM 305 CB LEU A 20 -0.068 4.874 -5.481 1.00 0.00 C ATOM 306 CG LEU A 20 -1.071 3.914 -4.842 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.371 2.594 -4.510 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.624 4.534 -3.557 1.00 0.00 C ATOM 0 H LEU A 20 -2.105 5.285 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.122 6.568 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.237 4.499 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.831 4.936 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.890 3.728 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.085 1.908 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.024 2.152 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.447 2.781 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.339 3.849 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.806 4.720 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.121 5.475 -3.792 1.00 0.00 H new ATOM 320 N PRO A 21 0.982 7.907 -5.114 1.00 0.00 N ATOM 321 CA PRO A 21 2.036 8.896 -5.389 1.00 0.00 C ATOM 322 C PRO A 21 3.109 8.291 -6.292 1.00 0.00 C ATOM 323 O PRO A 21 3.242 7.088 -6.394 1.00 0.00 O ATOM 324 CB PRO A 21 2.617 9.236 -4.012 1.00 0.00 C ATOM 325 CG PRO A 21 1.689 8.598 -2.945 1.00 0.00 C ATOM 326 CD PRO A 21 0.679 7.704 -3.685 1.00 0.00 C ATOM 0 HA PRO A 21 1.655 9.778 -5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.632 8.850 -3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.673 10.316 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.270 8.012 -2.233 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.172 9.370 -2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.792 6.658 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.347 7.988 -3.453 1.00 0.00 H new ATOM 334 N ASP A 22 3.882 9.115 -6.944 1.00 0.00 N ATOM 335 CA ASP A 22 4.950 8.580 -7.829 1.00 0.00 C ATOM 336 C ASP A 22 6.022 7.908 -6.971 1.00 0.00 C ATOM 337 O ASP A 22 6.926 7.272 -7.476 1.00 0.00 O ATOM 338 CB ASP A 22 5.577 9.724 -8.629 1.00 0.00 C ATOM 339 CG ASP A 22 5.217 9.572 -10.108 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.870 8.791 -10.779 1.00 0.00 O ATOM 341 OD2 ASP A 22 4.293 10.239 -10.544 1.00 0.00 O ATOM 0 H ASP A 22 3.819 10.132 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 22 4.522 7.853 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.219 10.683 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.660 9.717 -8.505 1.00 0.00 H new ATOM 346 N ASN A 23 5.927 8.041 -5.677 1.00 0.00 N ATOM 347 CA ASN A 23 6.940 7.407 -4.790 1.00 0.00 C ATOM 348 C ASN A 23 6.465 6.010 -4.385 1.00 0.00 C ATOM 349 O ASN A 23 7.068 5.358 -3.559 1.00 0.00 O ATOM 350 CB ASN A 23 7.133 8.266 -3.538 1.00 0.00 C ATOM 351 CG ASN A 23 5.772 8.745 -3.030 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.365 9.856 -3.303 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.046 7.947 -2.296 1.00 0.00 N ATOM 0 H ASN A 23 5.192 8.561 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 23 7.887 7.326 -5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.639 7.690 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.769 9.121 -3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.137 8.257 -1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.387 7.014 -2.066 1.00 0.00 H new ATOM 360 N TYR A 24 5.389 5.545 -4.960 1.00 0.00 N ATOM 361 CA TYR A 24 4.883 4.189 -4.600 1.00 0.00 C ATOM 362 C TYR A 24 5.347 3.173 -5.643 1.00 0.00 C ATOM 363 O TYR A 24 4.752 3.030 -6.693 1.00 0.00 O ATOM 364 CB TYR A 24 3.356 4.203 -4.551 1.00 0.00 C ATOM 365 CG TYR A 24 2.907 4.288 -3.114 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.740 3.120 -2.361 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.665 5.537 -2.532 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.329 3.203 -1.024 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.256 5.620 -1.196 1.00 0.00 C ATOM 370 CZ TYR A 24 2.088 4.452 -0.442 1.00 0.00 C ATOM 371 OH TYR A 24 1.684 4.534 0.875 1.00 0.00 O ATOM 0 H TYR A 24 4.840 6.043 -5.661 1.00 0.00 H new ATOM 0 HA TYR A 24 5.274 3.911 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.970 5.051 -5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.957 3.302 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.928 2.156 -2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.794 6.438 -3.114 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.198 2.302 -0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.070 6.584 -0.747 1.00 0.00 H new ATOM 0 HH TYR A 24 1.400 3.649 1.186 1.00 0.00 H new ATOM 381 N ILE A 25 6.399 2.458 -5.358 1.00 0.00 N ATOM 382 CA ILE A 25 6.894 1.444 -6.328 1.00 0.00 C ATOM 383 C ILE A 25 6.543 0.050 -5.811 1.00 0.00 C ATOM 384 O ILE A 25 6.935 -0.336 -4.729 1.00 0.00 O ATOM 385 CB ILE A 25 8.412 1.569 -6.470 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.082 1.155 -5.158 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.777 3.019 -6.792 1.00 0.00 C ATOM 388 CD1 ILE A 25 9.629 -0.269 -5.289 1.00 0.00 C ATOM 0 H ILE A 25 6.937 2.532 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 25 6.428 1.606 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 25 8.756 0.920 -7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.890 1.845 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.364 1.206 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.859 3.108 -6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.300 3.316 -7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.433 3.668 -5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.106 -0.563 -4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.811 -0.954 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.360 -0.305 -6.096 1.00 0.00 H new ATOM 400 N THR A 26 5.801 -0.707 -6.572 1.00 0.00 N ATOM 401 CA THR A 26 5.422 -2.074 -6.116 1.00 0.00 C ATOM 402 C THR A 26 6.653 -2.792 -5.565 1.00 0.00 C ATOM 403 O THR A 26 7.761 -2.299 -5.647 1.00 0.00 O ATOM 404 CB THR A 26 4.857 -2.866 -7.296 1.00 0.00 C ATOM 405 OG1 THR A 26 5.920 -3.259 -8.152 1.00 0.00 O ATOM 406 CG2 THR A 26 3.866 -1.998 -8.071 1.00 0.00 C ATOM 0 H THR A 26 5.441 -0.439 -7.488 1.00 0.00 H new ATOM 0 HA THR A 26 4.668 -1.997 -5.333 1.00 0.00 H new ATOM 0 HB THR A 26 4.342 -3.753 -6.925 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.560 -3.768 -8.908 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.465 -2.565 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.050 -1.700 -7.412 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.375 -1.109 -8.443 1.00 0.00 H new ATOM 414 N LYS A 27 6.473 -3.959 -5.008 1.00 0.00 N ATOM 415 CA LYS A 27 7.650 -4.699 -4.460 1.00 0.00 C ATOM 416 C LYS A 27 8.521 -5.175 -5.619 1.00 0.00 C ATOM 417 O LYS A 27 9.728 -5.050 -5.590 1.00 0.00 O ATOM 418 CB LYS A 27 7.228 -5.916 -3.619 1.00 0.00 C ATOM 419 CG LYS A 27 5.705 -5.982 -3.460 1.00 0.00 C ATOM 420 CD LYS A 27 5.334 -7.186 -2.592 1.00 0.00 C ATOM 421 CE LYS A 27 4.306 -8.047 -3.328 1.00 0.00 C ATOM 422 NZ LYS A 27 3.322 -8.593 -2.351 1.00 0.00 N ATOM 0 H LYS A 27 5.573 -4.429 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 27 8.200 -4.018 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.586 -6.830 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.696 -5.862 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.336 -5.064 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.230 -6.065 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.224 -7.775 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.927 -6.849 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.792 -7.452 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.806 -8.862 -3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.623 -9.178 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.819 -9.174 -1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.836 -7.808 -1.872 1.00 0.00 H new ATOM 436 N SER A 28 7.922 -5.711 -6.647 1.00 0.00 N ATOM 437 CA SER A 28 8.731 -6.177 -7.806 1.00 0.00 C ATOM 438 C SER A 28 9.613 -5.022 -8.270 1.00 0.00 C ATOM 439 O SER A 28 10.763 -5.199 -8.631 1.00 0.00 O ATOM 440 CB SER A 28 7.802 -6.604 -8.944 1.00 0.00 C ATOM 441 OG SER A 28 7.192 -7.843 -8.612 1.00 0.00 O ATOM 0 H SER A 28 6.915 -5.845 -6.734 1.00 0.00 H new ATOM 0 HA SER A 28 9.347 -7.028 -7.516 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.039 -5.843 -9.111 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.365 -6.700 -9.872 1.00 0.00 H new ATOM 0 HG SER A 28 6.595 -8.119 -9.338 1.00 0.00 H new ATOM 447 N GLU A 29 9.081 -3.832 -8.249 1.00 0.00 N ATOM 448 CA GLU A 29 9.878 -2.654 -8.674 1.00 0.00 C ATOM 449 C GLU A 29 11.110 -2.541 -7.782 1.00 0.00 C ATOM 450 O GLU A 29 12.191 -2.235 -8.242 1.00 0.00 O ATOM 451 CB GLU A 29 9.028 -1.388 -8.546 1.00 0.00 C ATOM 452 CG GLU A 29 8.387 -1.067 -9.898 1.00 0.00 C ATOM 453 CD GLU A 29 9.257 -0.058 -10.650 1.00 0.00 C ATOM 454 OE1 GLU A 29 10.372 0.175 -10.213 1.00 0.00 O ATOM 455 OE2 GLU A 29 8.794 0.464 -11.650 1.00 0.00 O ATOM 0 H GLU A 29 8.126 -3.627 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 29 10.188 -2.771 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.256 -1.530 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.647 -0.553 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.278 -1.978 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.386 -0.661 -9.750 1.00 0.00 H new ATOM 462 N ALA A 30 10.966 -2.801 -6.508 1.00 0.00 N ATOM 463 CA ALA A 30 12.146 -2.719 -5.607 1.00 0.00 C ATOM 464 C ALA A 30 13.117 -3.837 -5.973 1.00 0.00 C ATOM 465 O ALA A 30 14.319 -3.661 -5.959 1.00 0.00 O ATOM 466 CB ALA A 30 11.701 -2.878 -4.151 1.00 0.00 C ATOM 0 H ALA A 30 10.089 -3.064 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 30 12.632 -1.750 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.570 -2.817 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.999 -2.084 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.217 -3.846 -4.022 1.00 0.00 H new ATOM 472 N GLN A 31 12.604 -4.986 -6.319 1.00 0.00 N ATOM 473 CA GLN A 31 13.497 -6.108 -6.705 1.00 0.00 C ATOM 474 C GLN A 31 14.284 -5.685 -7.941 1.00 0.00 C ATOM 475 O GLN A 31 15.423 -6.065 -8.127 1.00 0.00 O ATOM 476 CB GLN A 31 12.658 -7.346 -7.027 1.00 0.00 C ATOM 477 CG GLN A 31 11.956 -7.831 -5.756 1.00 0.00 C ATOM 478 CD GLN A 31 11.354 -9.216 -6.003 1.00 0.00 C ATOM 479 OE1 GLN A 31 12.068 -10.195 -6.083 1.00 0.00 O ATOM 480 NE2 GLN A 31 10.061 -9.338 -6.126 1.00 0.00 N ATOM 0 H GLN A 31 11.606 -5.193 -6.350 1.00 0.00 H new ATOM 0 HA GLN A 31 14.177 -6.348 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.921 -7.110 -7.795 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.294 -8.135 -7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.665 -7.873 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.174 -7.128 -5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.462 -8.515 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.649 -10.256 -6.290 1.00 0.00 H new ATOM 489 N ALA A 32 13.684 -4.892 -8.787 1.00 0.00 N ATOM 490 CA ALA A 32 14.395 -4.434 -10.005 1.00 0.00 C ATOM 491 C ALA A 32 15.669 -3.702 -9.601 1.00 0.00 C ATOM 492 O ALA A 32 16.695 -3.803 -10.243 1.00 0.00 O ATOM 493 CB ALA A 32 13.491 -3.492 -10.804 1.00 0.00 C ATOM 0 H ALA A 32 12.731 -4.544 -8.683 1.00 0.00 H new ATOM 0 HA ALA A 32 14.651 -5.295 -10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.015 -3.156 -11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.581 -4.019 -11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.232 -2.629 -10.190 1.00 0.00 H new ATOM 499 N LEU A 33 15.600 -2.964 -8.538 1.00 0.00 N ATOM 500 CA LEU A 33 16.792 -2.206 -8.063 1.00 0.00 C ATOM 501 C LEU A 33 17.719 -3.125 -7.269 1.00 0.00 C ATOM 502 O LEU A 33 18.867 -2.809 -7.025 1.00 0.00 O ATOM 503 CB LEU A 33 16.322 -1.058 -7.182 1.00 0.00 C ATOM 504 CG LEU A 33 15.369 -0.189 -7.994 1.00 0.00 C ATOM 505 CD1 LEU A 33 13.930 -0.477 -7.570 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.705 1.279 -7.756 1.00 0.00 C ATOM 0 H LEU A 33 14.762 -2.849 -7.968 1.00 0.00 H new ATOM 0 HA LEU A 33 17.343 -1.816 -8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.821 -1.442 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.173 -0.470 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 33 15.475 -0.413 -9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.248 0.144 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.702 -1.528 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.811 -0.253 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.026 1.906 -8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.598 1.510 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.732 1.472 -8.067 1.00 0.00 H new ATOM 518 N GLY A 34 17.228 -4.258 -6.866 1.00 0.00 N ATOM 519 CA GLY A 34 18.073 -5.206 -6.085 1.00 0.00 C ATOM 520 C GLY A 34 17.569 -5.267 -4.642 1.00 0.00 C ATOM 521 O GLY A 34 18.339 -5.232 -3.702 1.00 0.00 O ATOM 0 H GLY A 34 16.274 -4.573 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.038 -6.198 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.114 -4.883 -6.105 1.00 0.00 H new ATOM 525 N TRP A 35 16.280 -5.355 -4.460 1.00 0.00 N ATOM 526 CA TRP A 35 15.720 -5.415 -3.079 1.00 0.00 C ATOM 527 C TRP A 35 15.181 -6.825 -2.815 1.00 0.00 C ATOM 528 O TRP A 35 14.308 -7.308 -3.508 1.00 0.00 O ATOM 529 CB TRP A 35 14.596 -4.373 -2.954 1.00 0.00 C ATOM 530 CG TRP A 35 13.596 -4.782 -1.912 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.743 -4.612 -0.578 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.299 -5.419 -2.102 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.616 -5.102 0.061 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.698 -5.609 -0.836 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.592 -5.844 -3.241 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.440 -6.201 -0.706 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.328 -6.440 -3.113 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.753 -6.616 -1.848 1.00 0.00 C ATOM 0 H TRP A 35 15.589 -5.388 -5.209 1.00 0.00 H new ATOM 0 HA TRP A 35 16.493 -5.194 -2.344 1.00 0.00 H new ATOM 0 HB2 TRP A 35 15.021 -3.404 -2.694 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.097 -4.255 -3.916 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.598 -4.167 -0.091 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.481 -5.090 1.072 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.025 -5.711 -4.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.002 -6.337 0.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.796 -6.765 -3.995 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.779 -7.073 -1.756 1.00 0.00 H new ATOM 549 N VAL A 36 15.691 -7.483 -1.810 1.00 0.00 N ATOM 550 CA VAL A 36 15.204 -8.853 -1.494 1.00 0.00 C ATOM 551 C VAL A 36 14.032 -8.748 -0.521 1.00 0.00 C ATOM 552 O VAL A 36 14.176 -8.282 0.593 1.00 0.00 O ATOM 553 CB VAL A 36 16.333 -9.662 -0.853 1.00 0.00 C ATOM 554 CG1 VAL A 36 15.977 -11.150 -0.882 1.00 0.00 C ATOM 555 CG2 VAL A 36 17.629 -9.434 -1.634 1.00 0.00 C ATOM 0 H VAL A 36 16.424 -7.130 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 36 14.882 -9.352 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 36 16.468 -9.341 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.782 -11.726 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.053 -11.314 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.842 -11.472 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.435 -10.010 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.493 -9.755 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 36 17.884 -8.374 -1.614 1.00 0.00 H new ATOM 565 N ALA A 37 12.867 -9.167 -0.931 1.00 0.00 N ATOM 566 CA ALA A 37 11.685 -9.079 -0.029 1.00 0.00 C ATOM 567 C ALA A 37 11.948 -9.881 1.248 1.00 0.00 C ATOM 568 O ALA A 37 11.240 -9.753 2.228 1.00 0.00 O ATOM 569 CB ALA A 37 10.456 -9.640 -0.744 1.00 0.00 C ATOM 0 H ALA A 37 12.683 -9.566 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 37 11.508 -8.036 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.591 -9.576 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.266 -9.063 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.634 -10.682 -1.009 1.00 0.00 H new ATOM 575 N SER A 38 12.957 -10.708 1.249 1.00 0.00 N ATOM 576 CA SER A 38 13.259 -11.515 2.465 1.00 0.00 C ATOM 577 C SER A 38 14.157 -10.710 3.408 1.00 0.00 C ATOM 578 O SER A 38 14.115 -10.878 4.611 1.00 0.00 O ATOM 579 CB SER A 38 13.972 -12.805 2.057 1.00 0.00 C ATOM 580 OG SER A 38 13.131 -13.915 2.337 1.00 0.00 O ATOM 0 H SER A 38 13.586 -10.860 0.460 1.00 0.00 H new ATOM 0 HA SER A 38 12.328 -11.760 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.217 -12.778 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 38 14.913 -12.901 2.599 1.00 0.00 H new ATOM 0 HG SER A 38 13.584 -14.743 2.075 1.00 0.00 H new ATOM 586 N LYS A 39 14.968 -9.837 2.876 1.00 0.00 N ATOM 587 CA LYS A 39 15.865 -9.027 3.749 1.00 0.00 C ATOM 588 C LYS A 39 15.173 -7.712 4.112 1.00 0.00 C ATOM 589 O LYS A 39 15.564 -7.029 5.038 1.00 0.00 O ATOM 590 CB LYS A 39 17.172 -8.729 3.007 1.00 0.00 C ATOM 591 CG LYS A 39 18.323 -9.481 3.679 1.00 0.00 C ATOM 592 CD LYS A 39 19.002 -10.396 2.658 1.00 0.00 C ATOM 593 CE LYS A 39 20.269 -9.722 2.127 1.00 0.00 C ATOM 594 NZ LYS A 39 21.454 -10.232 2.872 1.00 0.00 N ATOM 0 H LYS A 39 15.048 -9.650 1.877 1.00 0.00 H new ATOM 0 HA LYS A 39 16.085 -9.585 4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.087 -9.031 1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.370 -7.657 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.045 -8.773 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.947 -10.069 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.252 -11.351 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.319 -10.609 1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.382 -9.924 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.193 -8.641 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.315 -9.774 2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.346 -10.018 3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.529 -11.261 2.742 1.00 0.00 H new ATOM 608 N GLY A 40 14.147 -7.352 3.390 1.00 0.00 N ATOM 609 CA GLY A 40 13.430 -6.082 3.697 1.00 0.00 C ATOM 610 C GLY A 40 14.436 -4.933 3.781 1.00 0.00 C ATOM 611 O GLY A 40 14.240 -3.975 4.503 1.00 0.00 O ATOM 0 H GLY A 40 13.775 -7.882 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.689 -5.875 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.890 -6.176 4.639 1.00 0.00 H new ATOM 615 N ASN A 41 15.511 -5.020 3.049 1.00 0.00 N ATOM 616 CA ASN A 41 16.530 -3.933 3.086 1.00 0.00 C ATOM 617 C ASN A 41 16.149 -2.833 2.090 1.00 0.00 C ATOM 618 O ASN A 41 16.988 -2.293 1.397 1.00 0.00 O ATOM 619 CB ASN A 41 17.904 -4.510 2.723 1.00 0.00 C ATOM 620 CG ASN A 41 18.012 -4.706 1.206 1.00 0.00 C ATOM 621 OD1 ASN A 41 19.098 -4.718 0.662 1.00 0.00 O ATOM 622 ND2 ASN A 41 16.928 -4.863 0.495 1.00 0.00 N ATOM 0 H ASN A 41 15.729 -5.798 2.426 1.00 0.00 H new ATOM 0 HA ASN A 41 16.570 -3.507 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.691 -3.839 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.052 -5.463 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.995 -4.995 -0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.015 -4.853 0.949 1.00 0.00 H new ATOM 629 N LEU A 42 14.890 -2.497 2.012 1.00 0.00 N ATOM 630 CA LEU A 42 14.462 -1.434 1.059 1.00 0.00 C ATOM 631 C LEU A 42 15.200 -0.134 1.378 1.00 0.00 C ATOM 632 O LEU A 42 15.821 0.465 0.523 1.00 0.00 O ATOM 633 CB LEU A 42 12.954 -1.209 1.192 1.00 0.00 C ATOM 634 CG LEU A 42 12.357 -0.915 -0.184 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.478 -2.154 -1.072 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.881 -0.544 -0.030 1.00 0.00 C ATOM 0 H LEU A 42 14.141 -2.912 2.566 1.00 0.00 H new ATOM 0 HA LEU A 42 14.697 -1.744 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.481 -2.091 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.758 -0.378 1.870 1.00 0.00 H new ATOM 0 HG LEU A 42 12.897 -0.086 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.052 -1.942 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.529 -2.421 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.940 -2.984 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.454 -0.334 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.343 -1.373 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.792 0.340 0.601 1.00 0.00 H new ATOM 648 N ALA A 43 15.136 0.308 2.602 1.00 0.00 N ATOM 649 CA ALA A 43 15.831 1.572 2.977 1.00 0.00 C ATOM 650 C ALA A 43 17.299 1.510 2.542 1.00 0.00 C ATOM 651 O ALA A 43 17.966 2.521 2.435 1.00 0.00 O ATOM 652 CB ALA A 43 15.763 1.756 4.495 1.00 0.00 C ATOM 0 H ALA A 43 14.632 -0.151 3.361 1.00 0.00 H new ATOM 0 HA ALA A 43 15.343 2.410 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.271 2.680 4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.720 1.806 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.250 0.913 4.986 1.00 0.00 H new ATOM 658 N ASP A 44 17.814 0.334 2.300 1.00 0.00 N ATOM 659 CA ASP A 44 19.243 0.217 1.885 1.00 0.00 C ATOM 660 C ASP A 44 19.358 0.260 0.358 1.00 0.00 C ATOM 661 O ASP A 44 20.327 0.755 -0.183 1.00 0.00 O ATOM 662 CB ASP A 44 19.813 -1.105 2.401 1.00 0.00 C ATOM 663 CG ASP A 44 20.149 -0.970 3.887 1.00 0.00 C ATOM 664 OD1 ASP A 44 19.253 -0.651 4.651 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.298 -1.187 4.237 1.00 0.00 O ATOM 0 H ASP A 44 17.309 -0.549 2.371 1.00 0.00 H new ATOM 0 HA ASP A 44 19.804 1.052 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.091 -1.908 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.707 -1.372 1.838 1.00 0.00 H new ATOM 670 N VAL A 45 18.386 -0.254 -0.346 1.00 0.00 N ATOM 671 CA VAL A 45 18.463 -0.234 -1.838 1.00 0.00 C ATOM 672 C VAL A 45 17.553 0.866 -2.386 1.00 0.00 C ATOM 673 O VAL A 45 17.994 1.756 -3.087 1.00 0.00 O ATOM 674 CB VAL A 45 18.032 -1.590 -2.415 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.273 -2.436 -2.705 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.137 -2.331 -1.416 1.00 0.00 C ATOM 0 H VAL A 45 17.547 -0.684 0.042 1.00 0.00 H new ATOM 0 HA VAL A 45 19.494 -0.037 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 45 17.474 -1.421 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.969 -3.399 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 45 19.906 -1.918 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.830 -2.594 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.838 -3.291 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 45 17.686 -2.497 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.249 -1.733 -1.210 1.00 0.00 H new ATOM 686 N ALA A 46 16.289 0.816 -2.073 1.00 0.00 N ATOM 687 CA ALA A 46 15.355 1.863 -2.576 1.00 0.00 C ATOM 688 C ALA A 46 14.825 2.683 -1.395 1.00 0.00 C ATOM 689 O ALA A 46 13.721 2.461 -0.936 1.00 0.00 O ATOM 690 CB ALA A 46 14.184 1.194 -3.301 1.00 0.00 C ATOM 0 H ALA A 46 15.861 0.096 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 46 15.882 2.521 -3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.500 1.958 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.562 0.610 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.656 0.537 -2.610 1.00 0.00 H new ATOM 696 N PRO A 47 15.631 3.608 -0.937 1.00 0.00 N ATOM 697 CA PRO A 47 15.267 4.478 0.197 1.00 0.00 C ATOM 698 C PRO A 47 14.038 5.320 -0.156 1.00 0.00 C ATOM 699 O PRO A 47 13.746 5.555 -1.311 1.00 0.00 O ATOM 700 CB PRO A 47 16.491 5.379 0.410 1.00 0.00 C ATOM 701 CG PRO A 47 17.539 5.016 -0.671 1.00 0.00 C ATOM 702 CD PRO A 47 16.966 3.862 -1.508 1.00 0.00 C ATOM 0 HA PRO A 47 15.016 3.909 1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.210 6.429 0.333 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.905 5.232 1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.751 5.878 -1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.480 4.721 -0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.900 4.133 -2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.598 2.976 -1.445 1.00 0.00 H new ATOM 710 N GLY A 48 13.319 5.779 0.833 1.00 0.00 N ATOM 711 CA GLY A 48 12.111 6.608 0.558 1.00 0.00 C ATOM 712 C GLY A 48 11.320 5.999 -0.601 1.00 0.00 C ATOM 713 O GLY A 48 11.258 6.552 -1.680 1.00 0.00 O ATOM 0 H GLY A 48 13.517 5.615 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.485 6.663 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.406 7.628 0.313 1.00 0.00 H new ATOM 717 N LYS A 49 10.715 4.863 -0.387 1.00 0.00 N ATOM 718 CA LYS A 49 9.928 4.223 -1.478 1.00 0.00 C ATOM 719 C LYS A 49 8.790 3.400 -0.871 1.00 0.00 C ATOM 720 O LYS A 49 9.014 2.435 -0.170 1.00 0.00 O ATOM 721 CB LYS A 49 10.842 3.307 -2.296 1.00 0.00 C ATOM 722 CG LYS A 49 11.230 4.004 -3.602 1.00 0.00 C ATOM 723 CD LYS A 49 12.733 4.285 -3.606 1.00 0.00 C ATOM 724 CE LYS A 49 13.336 3.823 -4.934 1.00 0.00 C ATOM 725 NZ LYS A 49 14.656 4.483 -5.138 1.00 0.00 N ATOM 0 H LYS A 49 10.732 4.351 0.495 1.00 0.00 H new ATOM 0 HA LYS A 49 9.512 4.994 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.736 3.063 -1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.334 2.367 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.965 3.377 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.675 4.936 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.915 5.350 -3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.213 3.766 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.456 2.740 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.664 4.069 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.119 4.081 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.516 5.504 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.256 4.324 -4.304 1.00 0.00 H new ATOM 739 N SER A 50 7.570 3.776 -1.138 1.00 0.00 N ATOM 740 CA SER A 50 6.417 3.018 -0.578 1.00 0.00 C ATOM 741 C SER A 50 6.023 1.901 -1.547 1.00 0.00 C ATOM 742 O SER A 50 5.886 2.114 -2.735 1.00 0.00 O ATOM 743 CB SER A 50 5.233 3.965 -0.383 1.00 0.00 C ATOM 744 OG SER A 50 5.685 5.159 0.243 1.00 0.00 O ATOM 0 H SER A 50 7.322 4.576 -1.720 1.00 0.00 H new ATOM 0 HA SER A 50 6.698 2.584 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.775 4.196 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.467 3.487 0.228 1.00 0.00 H new ATOM 0 HG SER A 50 4.997 5.852 0.161 1.00 0.00 H new ATOM 750 N ILE A 51 5.843 0.709 -1.047 1.00 0.00 N ATOM 751 CA ILE A 51 5.461 -0.423 -1.935 1.00 0.00 C ATOM 752 C ILE A 51 3.939 -0.464 -2.078 1.00 0.00 C ATOM 753 O ILE A 51 3.234 -0.876 -1.179 1.00 0.00 O ATOM 754 CB ILE A 51 5.951 -1.735 -1.321 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.438 -1.615 -0.981 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.745 -2.874 -2.320 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.260 -1.614 -2.272 1.00 0.00 C ATOM 0 H ILE A 51 5.944 0.471 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 51 5.915 -0.288 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 51 5.387 -1.944 -0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.621 -0.698 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.744 -2.444 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.094 -3.809 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.685 -2.959 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.308 -2.666 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.319 -1.528 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.086 -2.543 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.961 -0.770 -2.893 1.00 0.00 H new ATOM 769 N GLY A 52 3.423 -0.041 -3.201 1.00 0.00 N ATOM 770 CA GLY A 52 1.945 -0.055 -3.392 1.00 0.00 C ATOM 771 C GLY A 52 1.618 -0.064 -4.885 1.00 0.00 C ATOM 772 O GLY A 52 2.473 0.153 -5.719 1.00 0.00 O ATOM 0 H GLY A 52 3.960 0.313 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.515 -0.933 -2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.499 0.819 -2.918 1.00 0.00 H new ATOM 776 N GLY A 53 0.383 -0.309 -5.229 1.00 0.00 N ATOM 777 CA GLY A 53 0.001 -0.325 -6.671 1.00 0.00 C ATOM 778 C GLY A 53 -0.249 -1.765 -7.123 1.00 0.00 C ATOM 779 O GLY A 53 -0.845 -2.006 -8.154 1.00 0.00 O ATOM 0 H GLY A 53 -0.377 -0.499 -4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.895 0.276 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.793 0.123 -7.272 1.00 0.00 H new ATOM 783 N ASP A 54 0.201 -2.724 -6.362 1.00 0.00 N ATOM 784 CA ASP A 54 -0.014 -4.145 -6.754 1.00 0.00 C ATOM 785 C ASP A 54 -1.440 -4.561 -6.386 1.00 0.00 C ATOM 786 O ASP A 54 -2.109 -3.901 -5.619 1.00 0.00 O ATOM 787 CB ASP A 54 0.986 -5.035 -6.013 1.00 0.00 C ATOM 788 CG ASP A 54 1.742 -5.904 -7.020 1.00 0.00 C ATOM 789 OD1 ASP A 54 1.119 -6.775 -7.606 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.930 -5.683 -7.189 1.00 0.00 O ATOM 0 H ASP A 54 0.707 -2.586 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 54 0.132 -4.254 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.687 -4.420 -5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.464 -5.665 -5.293 1.00 0.00 H new ATOM 795 N ILE A 55 -1.910 -5.650 -6.928 1.00 0.00 N ATOM 796 CA ILE A 55 -3.293 -6.103 -6.608 1.00 0.00 C ATOM 797 C ILE A 55 -3.361 -6.543 -5.143 1.00 0.00 C ATOM 798 O ILE A 55 -2.350 -6.733 -4.497 1.00 0.00 O ATOM 799 CB ILE A 55 -3.666 -7.278 -7.513 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.804 -6.785 -8.956 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.995 -7.878 -7.051 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.932 -5.754 -9.038 1.00 0.00 C ATOM 0 H ILE A 55 -1.397 -6.246 -7.578 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.991 -5.282 -6.772 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.887 -8.039 -7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.866 -6.341 -9.291 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.015 -7.624 -9.619 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.260 -8.715 -7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.898 -8.228 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.775 -7.118 -7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.030 -5.403 -10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.868 -6.213 -8.720 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.702 -4.911 -8.387 1.00 0.00 H new ATOM 814 N PHE A 56 -4.544 -6.705 -4.615 1.00 0.00 N ATOM 815 CA PHE A 56 -4.674 -7.132 -3.194 1.00 0.00 C ATOM 816 C PHE A 56 -5.143 -8.588 -3.140 1.00 0.00 C ATOM 817 O PHE A 56 -6.026 -8.996 -3.869 1.00 0.00 O ATOM 818 CB PHE A 56 -5.691 -6.232 -2.478 1.00 0.00 C ATOM 819 CG PHE A 56 -6.114 -6.877 -1.177 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.171 -7.097 -0.165 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.448 -7.258 -0.985 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.561 -7.696 1.037 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.838 -7.859 0.218 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.895 -8.077 1.229 1.00 0.00 C ATOM 0 H PHE A 56 -5.426 -6.560 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.707 -7.046 -2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.252 -5.253 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.561 -6.071 -3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.142 -6.804 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.176 -7.088 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.834 -7.865 1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.866 -8.154 0.366 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.196 -8.539 2.158 1.00 0.00 H new ATOM 834 N SER A 57 -4.559 -9.374 -2.277 1.00 0.00 N ATOM 835 CA SER A 57 -4.970 -10.802 -2.168 1.00 0.00 C ATOM 836 C SER A 57 -6.491 -10.900 -2.195 1.00 0.00 C ATOM 837 O SER A 57 -7.096 -11.110 -3.227 1.00 0.00 O ATOM 838 CB SER A 57 -4.448 -11.382 -0.853 1.00 0.00 C ATOM 839 OG SER A 57 -3.135 -11.892 -1.052 1.00 0.00 O ATOM 0 H SER A 57 -3.814 -9.088 -1.642 1.00 0.00 H new ATOM 0 HA SER A 57 -4.555 -11.363 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.438 -10.612 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.109 -12.175 -0.504 1.00 0.00 H new ATOM 0 HG SER A 57 -2.797 -12.263 -0.210 1.00 0.00 H new ATOM 845 N ASN A 58 -7.102 -10.752 -1.059 1.00 0.00 N ATOM 846 CA ASN A 58 -8.589 -10.833 -0.976 1.00 0.00 C ATOM 847 C ASN A 58 -9.019 -12.300 -0.945 1.00 0.00 C ATOM 848 O ASN A 58 -10.153 -12.631 -1.228 1.00 0.00 O ATOM 849 CB ASN A 58 -9.215 -10.141 -2.191 1.00 0.00 C ATOM 850 CG ASN A 58 -10.680 -9.813 -1.894 1.00 0.00 C ATOM 851 OD1 ASN A 58 -11.568 -10.548 -2.277 1.00 0.00 O ATOM 852 ND2 ASN A 58 -10.971 -8.732 -1.222 1.00 0.00 N ATOM 0 H ASN A 58 -6.632 -10.576 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.926 -10.335 -0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.667 -9.228 -2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.146 -10.787 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.944 -8.505 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.225 -8.115 -0.901 1.00 0.00 H new ATOM 859 N ARG A 59 -8.124 -13.183 -0.599 1.00 0.00 N ATOM 860 CA ARG A 59 -8.483 -14.627 -0.546 1.00 0.00 C ATOM 861 C ARG A 59 -9.448 -14.862 0.618 1.00 0.00 C ATOM 862 O ARG A 59 -10.379 -15.637 0.519 1.00 0.00 O ATOM 863 CB ARG A 59 -7.217 -15.462 -0.338 1.00 0.00 C ATOM 864 CG ARG A 59 -7.486 -16.911 -0.750 1.00 0.00 C ATOM 865 CD ARG A 59 -7.469 -17.807 0.490 1.00 0.00 C ATOM 866 NE ARG A 59 -6.493 -18.915 0.290 1.00 0.00 N ATOM 867 CZ ARG A 59 -6.092 -19.624 1.310 1.00 0.00 C ATOM 868 NH1 ARG A 59 -5.819 -19.038 2.445 1.00 0.00 N ATOM 869 NH2 ARG A 59 -5.965 -20.917 1.196 1.00 0.00 N ATOM 0 H ARG A 59 -7.159 -12.966 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.958 -14.921 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.397 -15.052 -0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.910 -15.421 0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.451 -16.984 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.731 -17.244 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.197 -17.223 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.464 -18.213 0.672 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.138 -19.119 -0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.919 -18.027 2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.506 -19.592 3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.179 -21.374 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.652 -21.471 1.993 1.00 0.00 H new ATOM 883 N GLU A 60 -9.234 -14.197 1.719 1.00 0.00 N ATOM 884 CA GLU A 60 -10.139 -14.377 2.888 1.00 0.00 C ATOM 885 C GLU A 60 -11.491 -13.728 2.586 1.00 0.00 C ATOM 886 O GLU A 60 -12.534 -14.285 2.862 1.00 0.00 O ATOM 887 CB GLU A 60 -9.518 -13.714 4.119 1.00 0.00 C ATOM 888 CG GLU A 60 -9.053 -14.792 5.101 1.00 0.00 C ATOM 889 CD GLU A 60 -7.853 -14.274 5.895 1.00 0.00 C ATOM 890 OE1 GLU A 60 -7.957 -13.197 6.456 1.00 0.00 O ATOM 891 OE2 GLU A 60 -6.848 -14.966 5.928 1.00 0.00 O ATOM 0 H GLU A 60 -8.470 -13.536 1.860 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.280 -15.440 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.675 -13.090 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.246 -13.060 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.865 -15.056 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.781 -15.699 4.561 1.00 0.00 H new ATOM 898 N GLY A 61 -11.479 -12.553 2.018 1.00 0.00 N ATOM 899 CA GLY A 61 -12.763 -11.869 1.695 1.00 0.00 C ATOM 900 C GLY A 61 -13.127 -10.902 2.822 1.00 0.00 C ATOM 901 O GLY A 61 -14.247 -10.875 3.294 1.00 0.00 O ATOM 0 H GLY A 61 -10.636 -12.038 1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.671 -11.328 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.556 -12.605 1.564 1.00 0.00 H new ATOM 905 N LYS A 62 -12.190 -10.103 3.259 1.00 0.00 N ATOM 906 CA LYS A 62 -12.489 -9.140 4.355 1.00 0.00 C ATOM 907 C LYS A 62 -12.828 -7.775 3.755 1.00 0.00 C ATOM 908 O LYS A 62 -13.312 -6.890 4.432 1.00 0.00 O ATOM 909 CB LYS A 62 -11.272 -9.013 5.272 1.00 0.00 C ATOM 910 CG LYS A 62 -11.542 -9.760 6.580 1.00 0.00 C ATOM 911 CD LYS A 62 -11.445 -11.268 6.339 1.00 0.00 C ATOM 912 CE LYS A 62 -12.581 -11.976 7.079 1.00 0.00 C ATOM 913 NZ LYS A 62 -12.501 -13.443 6.828 1.00 0.00 N ATOM 0 H LYS A 62 -11.234 -10.077 2.905 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.339 -9.501 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.389 -9.423 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.065 -7.963 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.822 -9.456 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.532 -9.505 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.503 -11.481 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.482 -11.642 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.513 -11.775 8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.544 -11.591 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.274 -13.924 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.586 -13.626 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.588 -13.804 7.170 1.00 0.00 H new ATOM 927 N LEU A 63 -12.587 -7.604 2.487 1.00 0.00 N ATOM 928 CA LEU A 63 -12.904 -6.304 1.834 1.00 0.00 C ATOM 929 C LEU A 63 -14.220 -6.443 1.062 1.00 0.00 C ATOM 930 O LEU A 63 -14.563 -7.520 0.619 1.00 0.00 O ATOM 931 CB LEU A 63 -11.783 -5.926 0.860 1.00 0.00 C ATOM 932 CG LEU A 63 -10.574 -5.398 1.638 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.318 -5.539 0.780 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.783 -3.922 1.975 1.00 0.00 C ATOM 0 H LEU A 63 -12.183 -8.310 1.872 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.997 -5.527 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.495 -6.795 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.136 -5.168 0.161 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.461 -5.971 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.456 -5.164 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.162 -6.589 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.439 -4.965 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.921 -3.550 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.897 -3.351 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.680 -3.811 2.584 1.00 0.00 H new ATOM 946 N PRO A 64 -14.914 -5.345 0.921 1.00 0.00 N ATOM 947 CA PRO A 64 -16.199 -5.319 0.200 1.00 0.00 C ATOM 948 C PRO A 64 -16.014 -5.853 -1.223 1.00 0.00 C ATOM 949 O PRO A 64 -15.782 -5.106 -2.153 1.00 0.00 O ATOM 950 CB PRO A 64 -16.607 -3.840 0.181 1.00 0.00 C ATOM 951 CG PRO A 64 -15.547 -3.050 0.993 1.00 0.00 C ATOM 952 CD PRO A 64 -14.478 -4.047 1.463 1.00 0.00 C ATOM 0 HA PRO A 64 -16.958 -5.943 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.658 -3.470 -0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.598 -3.711 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.098 -2.270 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.010 -2.556 1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.491 -3.774 1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.412 -4.074 2.551 1.00 0.00 H new ATOM 960 N GLY A 65 -16.112 -7.143 -1.397 1.00 0.00 N ATOM 961 CA GLY A 65 -15.940 -7.728 -2.757 1.00 0.00 C ATOM 962 C GLY A 65 -17.245 -7.596 -3.543 1.00 0.00 C ATOM 963 O GLY A 65 -18.316 -7.503 -2.978 1.00 0.00 O ATOM 0 H GLY A 65 -16.304 -7.817 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.134 -7.218 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.656 -8.777 -2.679 1.00 0.00 H new ATOM 967 N LYS A 66 -17.161 -7.590 -4.846 1.00 0.00 N ATOM 968 CA LYS A 66 -18.393 -7.466 -5.676 1.00 0.00 C ATOM 969 C LYS A 66 -18.190 -8.216 -6.994 1.00 0.00 C ATOM 970 O LYS A 66 -17.078 -8.502 -7.392 1.00 0.00 O ATOM 971 CB LYS A 66 -18.665 -5.990 -5.973 1.00 0.00 C ATOM 972 CG LYS A 66 -19.332 -5.335 -4.762 1.00 0.00 C ATOM 973 CD LYS A 66 -19.191 -3.814 -4.862 1.00 0.00 C ATOM 974 CE LYS A 66 -20.570 -3.164 -4.733 1.00 0.00 C ATOM 975 NZ LYS A 66 -20.446 -1.693 -4.935 1.00 0.00 N ATOM 0 H LYS A 66 -16.290 -7.666 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 66 -19.239 -7.890 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.732 -5.478 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -19.308 -5.898 -6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -20.386 -5.611 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.872 -5.694 -3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.529 -3.447 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.737 -3.542 -5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.254 -3.587 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.992 -3.373 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.383 -1.250 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.807 -1.297 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.061 -1.504 -5.882 1.00 0.00 H new ATOM 989 N SER A 67 -19.255 -8.534 -7.680 1.00 0.00 N ATOM 990 CA SER A 67 -19.116 -9.261 -8.972 1.00 0.00 C ATOM 991 C SER A 67 -18.037 -8.584 -9.819 1.00 0.00 C ATOM 992 O SER A 67 -18.262 -7.550 -10.418 1.00 0.00 O ATOM 993 CB SER A 67 -20.450 -9.230 -9.720 1.00 0.00 C ATOM 994 OG SER A 67 -21.175 -10.419 -9.434 1.00 0.00 O ATOM 0 H SER A 67 -20.213 -8.322 -7.401 1.00 0.00 H new ATOM 0 HA SER A 67 -18.833 -10.296 -8.782 1.00 0.00 H new ATOM 0 HB2 SER A 67 -21.028 -8.356 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 67 -20.277 -9.145 -10.793 1.00 0.00 H new ATOM 0 HG SER A 67 -22.031 -10.402 -9.910 1.00 0.00 H new ATOM 1000 N GLY A 68 -16.864 -9.155 -9.870 1.00 0.00 N ATOM 1001 CA GLY A 68 -15.770 -8.542 -10.676 1.00 0.00 C ATOM 1002 C GLY A 68 -15.151 -7.384 -9.893 1.00 0.00 C ATOM 1003 O GLY A 68 -15.135 -6.255 -10.342 1.00 0.00 O ATOM 0 H GLY A 68 -16.616 -10.019 -9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.010 -9.289 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.162 -8.184 -11.628 1.00 0.00 H new ATOM 1007 N ARG A 69 -14.642 -7.654 -8.722 1.00 0.00 N ATOM 1008 CA ARG A 69 -14.028 -6.568 -7.909 1.00 0.00 C ATOM 1009 C ARG A 69 -12.505 -6.711 -7.923 1.00 0.00 C ATOM 1010 O ARG A 69 -11.966 -7.753 -7.610 1.00 0.00 O ATOM 1011 CB ARG A 69 -14.538 -6.663 -6.468 1.00 0.00 C ATOM 1012 CG ARG A 69 -13.692 -5.769 -5.559 1.00 0.00 C ATOM 1013 CD ARG A 69 -13.979 -4.301 -5.880 1.00 0.00 C ATOM 1014 NE ARG A 69 -15.277 -3.909 -5.266 1.00 0.00 N ATOM 1015 CZ ARG A 69 -15.583 -2.648 -5.134 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -15.133 -1.775 -5.992 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -16.338 -2.261 -4.143 1.00 0.00 N ATOM 0 H ARG A 69 -14.625 -8.580 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.302 -5.601 -8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.584 -6.359 -6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.491 -7.696 -6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.920 -5.975 -4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.633 -5.984 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.177 -3.669 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.014 -4.153 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.928 -4.627 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.542 -2.078 -6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.372 -0.789 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.689 -2.944 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.578 -1.275 -4.039 1.00 0.00 H new ATOM 1031 N THR A 70 -11.808 -5.666 -8.277 1.00 0.00 N ATOM 1032 CA THR A 70 -10.320 -5.733 -8.302 1.00 0.00 C ATOM 1033 C THR A 70 -9.761 -4.826 -7.203 1.00 0.00 C ATOM 1034 O THR A 70 -9.684 -3.623 -7.357 1.00 0.00 O ATOM 1035 CB THR A 70 -9.809 -5.262 -9.666 1.00 0.00 C ATOM 1036 OG1 THR A 70 -10.689 -5.719 -10.683 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.407 -5.822 -9.911 1.00 0.00 C ATOM 0 H THR A 70 -12.206 -4.767 -8.550 1.00 0.00 H new ATOM 0 HA THR A 70 -9.994 -6.759 -8.132 1.00 0.00 H new ATOM 0 HB THR A 70 -9.769 -4.173 -9.682 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.364 -5.417 -11.557 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.045 -5.485 -10.883 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.733 -5.469 -9.131 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.442 -6.911 -9.895 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.381 -5.391 -6.089 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.841 -4.556 -4.979 1.00 0.00 C ATOM 1047 C TRP A 71 -7.356 -4.281 -5.202 1.00 0.00 C ATOM 1048 O TRP A 71 -6.642 -5.082 -5.771 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.013 -5.296 -3.651 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.379 -5.037 -3.110 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.473 -5.777 -3.390 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.813 -3.985 -2.203 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.557 -5.244 -2.715 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.200 -4.137 -1.969 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.145 -2.923 -1.568 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -12.899 -3.267 -1.133 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -10.847 -2.046 -0.725 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.221 -2.218 -0.509 1.00 0.00 C ATOM 0 H TRP A 71 -9.421 -6.393 -5.900 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.385 -3.612 -4.954 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.865 -6.366 -3.797 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.259 -4.964 -2.937 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.498 -6.643 -4.035 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.503 -5.622 -2.762 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.087 -2.781 -1.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.958 -3.404 -0.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.325 -1.234 -0.240 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.755 -1.540 0.140 1.00 0.00 H new ATOM 1069 N ARG A 72 -6.885 -3.161 -4.735 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.443 -2.829 -4.886 1.00 0.00 C ATOM 1071 C ARG A 72 -4.880 -2.528 -3.500 1.00 0.00 C ATOM 1072 O ARG A 72 -5.562 -1.987 -2.654 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.284 -1.605 -5.789 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.490 -2.016 -7.248 1.00 0.00 C ATOM 1075 CD ARG A 72 -6.516 -1.084 -7.899 1.00 0.00 C ATOM 1076 NE ARG A 72 -6.117 -0.788 -9.308 1.00 0.00 N ATOM 1077 CZ ARG A 72 -4.861 -0.613 -9.615 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -4.309 0.559 -9.456 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -4.157 -1.608 -10.080 1.00 0.00 N ATOM 0 H ARG A 72 -7.441 -2.456 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.908 -3.664 -5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.007 -0.838 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.293 -1.171 -5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.544 -1.968 -7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.835 -3.049 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.503 -1.547 -7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.589 -0.157 -7.331 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.830 -0.722 -10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.859 1.337 -9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.327 0.697 -9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.588 -2.524 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.175 -1.470 -10.320 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.654 -2.885 -3.242 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.094 -2.621 -1.890 1.00 0.00 C ATOM 1095 C GLU A 73 -1.938 -1.621 -1.975 1.00 0.00 C ATOM 1096 O GLU A 73 -1.335 -1.429 -3.016 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.586 -3.933 -1.287 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.668 -4.633 -2.291 1.00 0.00 C ATOM 1099 CD GLU A 73 -1.133 -5.929 -1.678 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -1.835 -6.512 -0.868 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -0.031 -6.317 -2.030 1.00 0.00 O ATOM 0 H GLU A 73 -3.023 -3.342 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.878 -2.200 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.046 -3.735 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.427 -4.579 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.214 -4.851 -3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.840 -3.977 -2.561 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.623 -0.987 -0.878 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.504 -0.003 -0.871 1.00 0.00 C ATOM 1110 C ALA A 74 0.196 -0.043 0.489 1.00 0.00 C ATOM 1111 O ALA A 74 -0.413 -0.323 1.503 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.054 1.403 -1.119 1.00 0.00 C ATOM 0 H ALA A 74 -2.095 -1.109 0.018 1.00 0.00 H new ATOM 0 HA ALA A 74 0.207 -0.256 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.234 2.121 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.555 1.432 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.766 1.659 -0.334 1.00 0.00 H new ATOM 1118 N ASP A 75 1.469 0.235 0.521 1.00 0.00 N ATOM 1119 CA ASP A 75 2.207 0.212 1.815 1.00 0.00 C ATOM 1120 C ASP A 75 1.787 1.417 2.659 1.00 0.00 C ATOM 1121 O ASP A 75 1.630 2.512 2.158 1.00 0.00 O ATOM 1122 CB ASP A 75 3.712 0.277 1.546 1.00 0.00 C ATOM 1123 CG ASP A 75 4.347 -1.076 1.871 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.975 -2.051 1.238 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.194 -1.116 2.747 1.00 0.00 O ATOM 0 H ASP A 75 2.032 0.478 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 75 1.975 -0.708 2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.895 0.535 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.167 1.060 2.153 1.00 0.00 H new ATOM 1130 N ILE A 76 1.600 1.225 3.937 1.00 0.00 N ATOM 1131 CA ILE A 76 1.187 2.363 4.805 1.00 0.00 C ATOM 1132 C ILE A 76 2.100 2.434 6.031 1.00 0.00 C ATOM 1133 O ILE A 76 2.435 1.430 6.628 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.260 2.158 5.256 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.190 2.280 4.046 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.630 3.220 6.292 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.281 3.745 3.615 1.00 0.00 C ATOM 0 H ILE A 76 1.715 0.332 4.416 1.00 0.00 H new ATOM 0 HA ILE A 76 1.266 3.294 4.244 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.365 1.168 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.815 1.671 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.181 1.902 4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.661 3.072 6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.033 3.135 7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.526 4.211 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.943 3.830 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.676 4.342 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.289 4.108 3.347 1.00 0.00 H new ATOM 1149 N ASN A 77 2.500 3.617 6.413 1.00 0.00 N ATOM 1150 CA ASN A 77 3.385 3.760 7.603 1.00 0.00 C ATOM 1151 C ASN A 77 4.798 3.284 7.258 1.00 0.00 C ATOM 1152 O ASN A 77 5.469 2.671 8.065 1.00 0.00 O ATOM 1153 CB ASN A 77 2.831 2.919 8.755 1.00 0.00 C ATOM 1154 CG ASN A 77 2.483 3.832 9.932 1.00 0.00 C ATOM 1155 OD1 ASN A 77 1.334 3.940 10.314 1.00 0.00 O ATOM 1156 ND2 ASN A 77 3.433 4.500 10.527 1.00 0.00 N ATOM 0 H ASN A 77 2.251 4.492 5.951 1.00 0.00 H new ATOM 0 HA ASN A 77 3.421 4.808 7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.945 2.375 8.429 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.566 2.175 9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.211 5.112 11.312 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.397 4.410 10.207 1.00 0.00 H new ATOM 1163 N TYR A 78 5.258 3.559 6.068 1.00 0.00 N ATOM 1164 CA TYR A 78 6.622 3.123 5.680 1.00 0.00 C ATOM 1165 C TYR A 78 7.658 3.933 6.462 1.00 0.00 C ATOM 1166 O TYR A 78 7.507 5.122 6.661 1.00 0.00 O ATOM 1167 CB TYR A 78 6.827 3.347 4.180 1.00 0.00 C ATOM 1168 CG TYR A 78 8.268 3.069 3.821 1.00 0.00 C ATOM 1169 CD1 TYR A 78 8.699 1.751 3.622 1.00 0.00 C ATOM 1170 CD2 TYR A 78 9.174 4.129 3.688 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.034 1.493 3.290 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.511 3.869 3.356 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.939 2.552 3.156 1.00 0.00 C ATOM 1174 OH TYR A 78 12.256 2.298 2.828 1.00 0.00 O ATOM 0 H TYR A 78 4.744 4.068 5.349 1.00 0.00 H new ATOM 0 HA TYR A 78 6.740 2.063 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.167 2.693 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.567 4.372 3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.001 0.934 3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.843 5.146 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.366 0.477 3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.211 4.685 3.255 1.00 0.00 H new ATOM 0 HH TYR A 78 12.749 3.143 2.774 1.00 0.00 H new ATOM 1184 N THR A 79 8.708 3.300 6.909 1.00 0.00 N ATOM 1185 CA THR A 79 9.748 4.037 7.678 1.00 0.00 C ATOM 1186 C THR A 79 11.131 3.595 7.216 1.00 0.00 C ATOM 1187 O THR A 79 11.788 4.259 6.439 1.00 0.00 O ATOM 1188 CB THR A 79 9.589 3.735 9.170 1.00 0.00 C ATOM 1189 OG1 THR A 79 8.928 2.487 9.332 1.00 0.00 O ATOM 1190 CG2 THR A 79 8.764 4.841 9.830 1.00 0.00 C ATOM 0 H THR A 79 8.890 2.305 6.775 1.00 0.00 H new ATOM 0 HA THR A 79 9.633 5.108 7.509 1.00 0.00 H new ATOM 0 HB THR A 79 10.572 3.689 9.639 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.827 2.292 10.287 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.651 4.626 10.893 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.272 5.797 9.706 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.780 4.889 9.363 1.00 0.00 H new ATOM 1198 N SER A 80 11.569 2.476 7.696 1.00 0.00 N ATOM 1199 CA SER A 80 12.912 1.962 7.303 1.00 0.00 C ATOM 1200 C SER A 80 13.062 0.515 7.773 1.00 0.00 C ATOM 1201 O SER A 80 12.321 0.046 8.615 1.00 0.00 O ATOM 1202 CB SER A 80 13.997 2.823 7.950 1.00 0.00 C ATOM 1203 OG SER A 80 14.740 3.484 6.935 1.00 0.00 O ATOM 0 H SER A 80 11.055 1.885 8.350 1.00 0.00 H new ATOM 0 HA SER A 80 13.014 2.004 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.545 3.554 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.658 2.202 8.554 1.00 0.00 H new ATOM 0 HG SER A 80 14.130 3.995 6.363 1.00 0.00 H new ATOM 1209 N GLY A 81 14.014 -0.197 7.238 1.00 0.00 N ATOM 1210 CA GLY A 81 14.211 -1.614 7.656 1.00 0.00 C ATOM 1211 C GLY A 81 13.105 -2.482 7.057 1.00 0.00 C ATOM 1212 O GLY A 81 12.471 -2.115 6.088 1.00 0.00 O ATOM 0 H GLY A 81 14.665 0.141 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.187 -1.970 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.197 -1.689 8.743 1.00 0.00 H new ATOM 1216 N PHE A 82 12.868 -3.632 7.626 1.00 0.00 N ATOM 1217 CA PHE A 82 11.803 -4.523 7.087 1.00 0.00 C ATOM 1218 C PHE A 82 10.503 -3.731 6.933 1.00 0.00 C ATOM 1219 O PHE A 82 10.223 -2.824 7.692 1.00 0.00 O ATOM 1220 CB PHE A 82 11.578 -5.690 8.053 1.00 0.00 C ATOM 1221 CG PHE A 82 12.481 -6.838 7.673 1.00 0.00 C ATOM 1222 CD1 PHE A 82 12.101 -7.721 6.656 1.00 0.00 C ATOM 1223 CD2 PHE A 82 13.699 -7.019 8.338 1.00 0.00 C ATOM 1224 CE1 PHE A 82 12.938 -8.786 6.304 1.00 0.00 C ATOM 1225 CE2 PHE A 82 14.538 -8.084 7.985 1.00 0.00 C ATOM 1226 CZ PHE A 82 14.158 -8.967 6.968 1.00 0.00 C ATOM 0 H PHE A 82 13.366 -3.993 8.440 1.00 0.00 H new ATOM 0 HA PHE A 82 12.110 -4.909 6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.784 -5.374 9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.536 -6.007 8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.161 -7.581 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.992 -6.338 9.123 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.643 -9.468 5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.478 -8.224 8.498 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.805 -9.788 6.695 1.00 0.00 H new ATOM 1236 N ARG A 83 9.707 -4.064 5.955 1.00 0.00 N ATOM 1237 CA ARG A 83 8.426 -3.329 5.752 1.00 0.00 C ATOM 1238 C ARG A 83 7.633 -3.324 7.060 1.00 0.00 C ATOM 1239 O ARG A 83 8.109 -3.767 8.087 1.00 0.00 O ATOM 1240 CB ARG A 83 7.607 -4.020 4.660 1.00 0.00 C ATOM 1241 CG ARG A 83 8.094 -3.558 3.285 1.00 0.00 C ATOM 1242 CD ARG A 83 8.336 -4.775 2.393 1.00 0.00 C ATOM 1243 NE ARG A 83 7.191 -5.719 2.517 1.00 0.00 N ATOM 1244 CZ ARG A 83 7.030 -6.672 1.640 1.00 0.00 C ATOM 1245 NH1 ARG A 83 6.893 -6.380 0.375 1.00 0.00 N ATOM 1246 NH2 ARG A 83 7.008 -7.918 2.027 1.00 0.00 N ATOM 0 H ARG A 83 9.888 -4.813 5.287 1.00 0.00 H new ATOM 0 HA ARG A 83 8.638 -2.303 5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.705 -5.102 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.549 -3.785 4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.355 -2.900 2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.013 -2.981 3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.451 -4.461 1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.263 -5.271 2.681 1.00 0.00 H new ATOM 0 HE ARG A 83 6.531 -5.621 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.912 -5.406 0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.767 -7.125 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.117 -8.147 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.882 -8.663 1.342 1.00 0.00 H new ATOM 1260 N ASN A 84 6.428 -2.826 7.032 1.00 0.00 N ATOM 1261 CA ASN A 84 5.607 -2.796 8.276 1.00 0.00 C ATOM 1262 C ASN A 84 4.347 -3.637 8.078 1.00 0.00 C ATOM 1263 O ASN A 84 4.127 -4.205 7.027 1.00 0.00 O ATOM 1264 CB ASN A 84 5.209 -1.352 8.598 1.00 0.00 C ATOM 1265 CG ASN A 84 5.101 -0.544 7.302 1.00 0.00 C ATOM 1266 OD1 ASN A 84 6.044 0.109 6.901 1.00 0.00 O ATOM 1267 ND2 ASN A 84 3.985 -0.562 6.627 1.00 0.00 N ATOM 0 H ASN A 84 5.976 -2.439 6.203 1.00 0.00 H new ATOM 0 HA ASN A 84 6.191 -3.203 9.101 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.256 -1.337 9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.948 -0.900 9.259 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.904 -0.028 5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.194 -1.110 6.964 1.00 0.00 H new ATOM 1274 N SER A 85 3.517 -3.720 9.080 1.00 0.00 N ATOM 1275 CA SER A 85 2.269 -4.522 8.949 1.00 0.00 C ATOM 1276 C SER A 85 1.090 -3.584 8.681 1.00 0.00 C ATOM 1277 O SER A 85 -0.058 -3.975 8.765 1.00 0.00 O ATOM 1278 CB SER A 85 2.022 -5.297 10.244 1.00 0.00 C ATOM 1279 OG SER A 85 0.778 -5.979 10.152 1.00 0.00 O ATOM 0 H SER A 85 3.649 -3.267 9.984 1.00 0.00 H new ATOM 0 HA SER A 85 2.371 -5.224 8.122 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.829 -6.010 10.415 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.014 -4.615 11.094 1.00 0.00 H new ATOM 0 HG SER A 85 0.617 -6.478 10.980 1.00 0.00 H new ATOM 1285 N ASP A 86 1.365 -2.350 8.359 1.00 0.00 N ATOM 1286 CA ASP A 86 0.262 -1.389 8.086 1.00 0.00 C ATOM 1287 C ASP A 86 0.154 -1.148 6.578 1.00 0.00 C ATOM 1288 O ASP A 86 1.125 -0.842 5.916 1.00 0.00 O ATOM 1289 CB ASP A 86 0.549 -0.063 8.792 1.00 0.00 C ATOM 1290 CG ASP A 86 0.678 -0.301 10.298 1.00 0.00 C ATOM 1291 OD1 ASP A 86 -0.297 -0.730 10.894 1.00 0.00 O ATOM 1292 OD2 ASP A 86 1.747 -0.052 10.829 1.00 0.00 O ATOM 0 H ASP A 86 2.306 -1.967 8.273 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.676 -1.803 8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.468 0.376 8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.253 0.648 8.593 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.023 -1.283 6.034 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.199 -1.061 4.570 1.00 0.00 C ATOM 1299 C ARG A 87 -2.643 -0.639 4.297 1.00 0.00 C ATOM 1300 O ARG A 87 -3.512 -0.807 5.126 1.00 0.00 O ATOM 1301 CB ARG A 87 -0.891 -2.358 3.818 1.00 0.00 C ATOM 1302 CG ARG A 87 0.538 -2.804 4.134 1.00 0.00 C ATOM 1303 CD ARG A 87 1.004 -3.811 3.081 1.00 0.00 C ATOM 1304 NE ARG A 87 2.472 -4.031 3.219 1.00 0.00 N ATOM 1305 CZ ARG A 87 3.036 -5.054 2.638 1.00 0.00 C ATOM 1306 NH1 ARG A 87 3.330 -5.001 1.368 1.00 0.00 N ATOM 1307 NH2 ARG A 87 3.308 -6.128 3.327 1.00 0.00 N ATOM 0 H ARG A 87 -1.872 -1.538 6.539 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.520 -0.279 4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.598 -3.135 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.007 -2.205 2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.205 -1.942 4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.579 -3.254 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.471 -4.754 3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.773 -3.442 2.082 1.00 0.00 H new ATOM 0 HE ARG A 87 3.036 -3.382 3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.119 -4.160 0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.771 -5.800 0.913 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.080 -6.168 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.749 -6.928 2.872 1.00 0.00 H new ATOM 1321 N ILE A 88 -2.908 -0.092 3.143 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.301 0.336 2.832 1.00 0.00 C ATOM 1323 C ILE A 88 -4.786 -0.380 1.570 1.00 0.00 C ATOM 1324 O ILE A 88 -4.004 -0.803 0.741 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.334 1.849 2.614 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.786 2.332 2.609 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.682 2.188 1.274 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.862 3.724 3.239 1.00 0.00 C ATOM 0 H ILE A 88 -2.224 0.077 2.405 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.955 0.079 3.665 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.788 2.342 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.167 2.362 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.414 1.635 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.706 3.267 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.647 1.845 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.227 1.694 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.896 4.069 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.498 3.679 4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.247 4.417 2.665 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.076 -0.524 1.424 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.622 -1.217 0.223 1.00 0.00 C ATOM 1342 C LEU A 89 -7.580 -0.282 -0.520 1.00 0.00 C ATOM 1343 O LEU A 89 -8.625 0.071 -0.018 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.392 -2.468 0.660 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.411 -3.556 1.100 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.342 -3.743 0.026 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.746 -3.146 2.415 1.00 0.00 C ATOM 0 H LEU A 89 -6.776 -0.191 2.087 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.798 -1.498 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.067 -2.222 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.008 -2.832 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.950 -4.492 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.643 -4.518 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.815 -4.038 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.804 -2.806 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.047 -3.922 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.208 -2.209 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.508 -3.014 3.183 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.247 0.111 -1.719 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.168 1.007 -2.474 1.00 0.00 C ATOM 1361 C TYR A 90 -8.845 0.207 -3.590 1.00 0.00 C ATOM 1362 O TYR A 90 -8.229 -0.616 -4.237 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.400 2.188 -3.075 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.062 1.733 -3.608 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -4.986 1.539 -2.732 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -5.894 1.517 -4.981 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.744 1.129 -3.230 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.652 1.105 -5.477 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.577 0.912 -4.603 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.352 0.508 -5.094 1.00 0.00 O ATOM 0 H TYR A 90 -6.387 -0.146 -2.204 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.921 1.399 -1.790 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.984 2.638 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.254 2.958 -2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.115 1.706 -1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.723 1.668 -5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.914 0.980 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.523 0.936 -6.536 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.309 -0.471 -5.100 1.00 0.00 H new ATOM 1380 N SER A 91 -10.112 0.433 -3.812 1.00 0.00 N ATOM 1381 CA SER A 91 -10.830 -0.328 -4.878 1.00 0.00 C ATOM 1382 C SER A 91 -11.172 0.598 -6.049 1.00 0.00 C ATOM 1383 O SER A 91 -10.969 1.795 -5.990 1.00 0.00 O ATOM 1384 CB SER A 91 -12.119 -0.914 -4.303 1.00 0.00 C ATOM 1385 OG SER A 91 -11.893 -1.317 -2.959 1.00 0.00 O ATOM 0 H SER A 91 -10.681 1.110 -3.303 1.00 0.00 H new ATOM 0 HA SER A 91 -10.186 -1.131 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.918 -0.174 -4.343 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.443 -1.766 -4.901 1.00 0.00 H new ATOM 0 HG SER A 91 -11.848 -2.295 -2.914 1.00 0.00 H new ATOM 1391 N SER A 92 -11.691 0.047 -7.115 1.00 0.00 N ATOM 1392 CA SER A 92 -12.048 0.886 -8.295 1.00 0.00 C ATOM 1393 C SER A 92 -13.166 1.852 -7.917 1.00 0.00 C ATOM 1394 O SER A 92 -13.319 2.905 -8.503 1.00 0.00 O ATOM 1395 CB SER A 92 -12.511 -0.012 -9.443 1.00 0.00 C ATOM 1396 OG SER A 92 -13.375 -1.018 -8.932 1.00 0.00 O ATOM 0 H SER A 92 -11.883 -0.949 -7.219 1.00 0.00 H new ATOM 0 HA SER A 92 -11.173 1.453 -8.612 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.029 0.580 -10.197 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.651 -0.469 -9.932 1.00 0.00 H new ATOM 0 HG SER A 92 -13.675 -1.595 -9.665 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.943 1.504 -6.936 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.045 2.395 -6.505 1.00 0.00 C ATOM 1404 C ASP A 93 -14.522 3.348 -5.429 1.00 0.00 C ATOM 1405 O ASP A 93 -15.275 3.943 -4.686 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.206 1.563 -5.953 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.872 1.065 -4.546 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.696 0.979 -4.232 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.799 0.777 -3.808 1.00 0.00 O ATOM 0 H ASP A 93 -13.860 0.633 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.406 2.970 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.115 2.164 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.402 0.716 -6.610 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.227 3.489 -5.351 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.618 4.396 -4.342 1.00 0.00 C ATOM 1416 C TRP A 94 -12.846 3.848 -2.932 1.00 0.00 C ATOM 1417 O TRP A 94 -12.873 4.587 -1.968 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.221 5.797 -4.463 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.354 6.625 -5.357 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.807 7.471 -6.310 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.898 6.695 -5.404 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.722 8.056 -6.939 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.524 7.609 -6.416 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.873 6.060 -4.674 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.185 7.884 -6.696 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.525 6.335 -4.955 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.182 7.244 -5.964 1.00 0.00 C ATOM 0 H TRP A 94 -12.558 3.007 -5.952 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.545 4.455 -4.527 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.231 5.738 -4.868 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.298 6.260 -3.479 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.845 7.659 -6.542 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.798 8.735 -7.697 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.126 5.358 -3.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.926 8.587 -7.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.748 5.843 -4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.143 7.450 -6.176 1.00 0.00 H new ATOM 1438 N LEU A 95 -12.984 2.558 -2.797 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.178 1.974 -1.442 1.00 0.00 C ATOM 1440 C LEU A 95 -11.814 1.892 -0.761 1.00 0.00 C ATOM 1441 O LEU A 95 -10.929 1.197 -1.220 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.767 0.566 -1.558 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.270 0.610 -1.285 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -15.832 -0.813 -1.275 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.523 1.265 0.075 1.00 0.00 C ATOM 0 H LEU A 95 -12.971 1.886 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.862 2.596 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.581 0.165 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.279 -0.102 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.762 1.189 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.904 -0.779 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.654 -1.281 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.339 -1.393 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.595 1.296 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.029 0.686 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.125 2.280 0.070 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.624 2.603 0.318 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.300 2.557 0.996 1.00 0.00 C ATOM 1459 C ILE A 96 -10.433 1.931 2.385 1.00 0.00 C ATOM 1460 O ILE A 96 -10.912 2.547 3.317 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.735 3.972 1.133 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -9.988 4.759 -0.158 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.231 3.883 1.388 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.304 6.127 -0.069 1.00 0.00 C ATOM 0 H ILE A 96 -12.321 3.207 0.754 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.625 1.949 0.393 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.223 4.482 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.605 4.205 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.059 4.886 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.819 4.887 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.050 3.324 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.750 3.374 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.485 6.685 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.708 6.682 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.231 5.989 0.066 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.984 0.716 2.532 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.045 0.040 3.856 1.00 0.00 C ATOM 1478 C TYR A 97 -8.630 0.004 4.432 1.00 0.00 C ATOM 1479 O TYR A 97 -7.725 -0.537 3.831 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.561 -1.390 3.681 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.069 -1.388 3.646 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.745 -0.944 2.502 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.794 -1.834 4.757 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.145 -0.947 2.471 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.192 -1.836 4.726 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.869 -1.393 3.584 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.248 -1.395 3.555 1.00 0.00 O ATOM 0 H TYR A 97 -9.574 0.158 1.783 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.717 0.577 4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.167 -1.818 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.208 -2.017 4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.186 -0.599 1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.273 -2.177 5.639 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.666 -0.605 1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.750 -2.180 5.584 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.560 -0.832 2.816 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.419 0.587 5.577 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.046 0.589 6.154 1.00 0.00 C ATOM 1499 C LYS A 98 -6.838 -0.651 7.027 1.00 0.00 C ATOM 1500 O LYS A 98 -7.763 -1.173 7.618 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.855 1.847 7.004 1.00 0.00 C ATOM 1502 CG LYS A 98 -7.949 1.911 8.071 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.307 2.056 9.452 1.00 0.00 C ATOM 1504 CE LYS A 98 -7.948 3.230 10.194 1.00 0.00 C ATOM 1505 NZ LYS A 98 -6.884 4.166 10.654 1.00 0.00 N ATOM 0 H LYS A 98 -9.130 1.059 6.135 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.319 0.577 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.872 1.835 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.895 2.735 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.613 2.754 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.560 1.009 8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.437 1.137 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.234 2.219 9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.647 3.750 9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.521 2.866 11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.319 4.965 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.234 3.665 11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.356 4.522 9.832 1.00 0.00 H new ATOM 1519 N THR A 99 -5.622 -1.117 7.117 1.00 0.00 N ATOM 1520 CA THR A 99 -5.333 -2.317 7.953 1.00 0.00 C ATOM 1521 C THR A 99 -4.054 -2.064 8.758 1.00 0.00 C ATOM 1522 O THR A 99 -3.052 -1.630 8.223 1.00 0.00 O ATOM 1523 CB THR A 99 -5.129 -3.537 7.052 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.280 -4.466 7.709 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.489 -3.102 5.733 1.00 0.00 C ATOM 0 H THR A 99 -4.812 -0.716 6.645 1.00 0.00 H new ATOM 0 HA THR A 99 -6.169 -2.504 8.627 1.00 0.00 H new ATOM 0 HB THR A 99 -6.092 -4.003 6.846 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.822 -5.177 8.111 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.345 -3.973 5.094 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.141 -2.387 5.231 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.524 -2.635 5.933 1.00 0.00 H new ATOM 1533 N THR A 100 -4.076 -2.328 10.036 1.00 0.00 N ATOM 1534 CA THR A 100 -2.856 -2.094 10.862 1.00 0.00 C ATOM 1535 C THR A 100 -2.318 -3.428 11.385 1.00 0.00 C ATOM 1536 O THR A 100 -1.394 -3.467 12.173 1.00 0.00 O ATOM 1537 CB THR A 100 -3.206 -1.188 12.044 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.601 -1.264 12.301 1.00 0.00 O ATOM 1539 CG2 THR A 100 -2.822 0.256 11.714 1.00 0.00 C ATOM 0 H THR A 100 -4.882 -2.694 10.543 1.00 0.00 H new ATOM 0 HA THR A 100 -2.094 -1.616 10.247 1.00 0.00 H new ATOM 0 HB THR A 100 -2.657 -1.514 12.927 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.826 -0.685 13.059 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.072 0.901 12.557 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.751 0.312 11.519 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.369 0.585 10.831 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.885 -4.521 10.956 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.397 -5.849 11.434 1.00 0.00 C ATOM 1549 C ASP A 101 -2.047 -6.725 10.230 1.00 0.00 C ATOM 1550 O ASP A 101 -2.057 -7.937 10.308 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.477 -6.550 12.276 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.752 -5.703 12.331 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.281 -5.395 11.276 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.178 -5.378 13.427 1.00 0.00 O ATOM 0 H ASP A 101 -3.663 -4.555 10.297 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.513 -5.695 12.053 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.701 -7.527 11.849 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.104 -6.722 13.286 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.736 -6.121 9.115 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.382 -6.920 7.908 1.00 0.00 C ATOM 1561 C HIS A 102 -2.655 -7.493 7.284 1.00 0.00 C ATOM 1562 O HIS A 102 -2.951 -8.664 7.415 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.449 -8.064 8.303 1.00 0.00 C ATOM 1564 CG HIS A 102 0.619 -8.218 7.255 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.318 -8.369 5.910 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.989 -8.245 7.339 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.483 -8.477 5.245 1.00 0.00 C ATOM 1568 NE2 HIS A 102 2.532 -8.408 6.068 1.00 0.00 N ATOM 0 H HIS A 102 -1.712 -5.109 8.988 1.00 0.00 H new ATOM 0 HA HIS A 102 -0.879 -6.277 7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.004 -7.861 9.273 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.013 -8.991 8.403 1.00 0.00 H new ATOM 0 HD2 HIS A 102 2.558 -8.154 8.252 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.560 -8.604 4.175 1.00 0.00 H new ATOM 0 HE2 HIS A 102 3.520 -8.463 5.819 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.409 -6.677 6.601 1.00 0.00 N ATOM 1577 CA TYR A 103 -4.661 -7.171 5.963 1.00 0.00 C ATOM 1578 C TYR A 103 -5.484 -7.970 6.980 1.00 0.00 C ATOM 1579 O TYR A 103 -6.321 -8.773 6.618 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.306 -8.068 4.775 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.343 -7.341 3.868 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.543 -5.987 3.580 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.251 -8.021 3.315 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.651 -5.310 2.739 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.358 -7.344 2.474 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.559 -5.988 2.186 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.679 -5.320 1.358 1.00 0.00 O ATOM 0 H TYR A 103 -3.211 -5.687 6.457 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.248 -6.320 5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.859 -8.998 5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.208 -8.336 4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.386 -5.463 4.006 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.097 -9.067 3.537 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.806 -4.264 2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.515 -7.868 2.048 1.00 0.00 H new ATOM 0 HH TYR A 103 0.023 -5.936 1.061 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.261 -7.756 8.250 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.039 -8.504 9.280 1.00 0.00 C ATOM 1599 C GLN A 104 -7.245 -7.670 9.698 1.00 0.00 C ATOM 1600 O GLN A 104 -8.310 -8.182 9.978 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.155 -8.771 10.499 1.00 0.00 C ATOM 1602 CG GLN A 104 -5.210 -10.257 10.858 1.00 0.00 C ATOM 1603 CD GLN A 104 -4.326 -10.520 12.079 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -4.478 -9.881 13.101 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -3.402 -11.439 12.016 1.00 0.00 N ATOM 0 H GLN A 104 -4.575 -7.097 8.618 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.375 -9.455 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.127 -8.476 10.287 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.492 -8.170 11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.238 -10.553 11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.872 -10.859 10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.274 -11.976 11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.808 -11.621 12.825 1.00 0.00 H new ATOM 1614 N THR A 105 -7.076 -6.386 9.730 1.00 0.00 N ATOM 1615 CA THR A 105 -8.197 -5.485 10.118 1.00 0.00 C ATOM 1616 C THR A 105 -8.472 -4.518 8.968 1.00 0.00 C ATOM 1617 O THR A 105 -7.563 -4.044 8.319 1.00 0.00 O ATOM 1618 CB THR A 105 -7.812 -4.694 11.370 1.00 0.00 C ATOM 1619 OG1 THR A 105 -7.545 -5.594 12.438 1.00 0.00 O ATOM 1620 CG2 THR A 105 -8.962 -3.764 11.759 1.00 0.00 C ATOM 0 H THR A 105 -6.202 -5.912 9.502 1.00 0.00 H new ATOM 0 HA THR A 105 -9.089 -6.075 10.329 1.00 0.00 H new ATOM 0 HB THR A 105 -6.920 -4.102 11.165 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.470 -5.093 13.277 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.688 -3.200 12.651 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.164 -3.073 10.941 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.855 -4.355 11.963 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.713 -4.225 8.700 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.021 -3.293 7.581 1.00 0.00 C ATOM 1630 C PHE A 106 -11.062 -2.267 8.023 1.00 0.00 C ATOM 1631 O PHE A 106 -12.194 -2.599 8.316 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.562 -4.093 6.396 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.522 -5.097 5.961 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.479 -4.701 5.116 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.601 -6.422 6.404 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.513 -5.631 4.714 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.636 -7.352 6.002 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.592 -6.957 5.157 1.00 0.00 C ATOM 0 H PHE A 106 -10.523 -4.588 9.204 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.111 -2.769 7.289 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.483 -4.604 6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.807 -3.424 5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.419 -3.678 4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.406 -6.727 7.056 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.707 -5.326 4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.697 -8.375 6.344 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.847 -7.675 4.847 1.00 0.00 H new ATOM 1648 N THR A 107 -10.689 -1.017 8.063 1.00 0.00 N ATOM 1649 CA THR A 107 -11.654 0.038 8.474 1.00 0.00 C ATOM 1650 C THR A 107 -12.005 0.892 7.255 1.00 0.00 C ATOM 1651 O THR A 107 -11.151 1.249 6.469 1.00 0.00 O ATOM 1652 CB THR A 107 -11.023 0.919 9.555 1.00 0.00 C ATOM 1653 OG1 THR A 107 -10.424 0.096 10.545 1.00 0.00 O ATOM 1654 CG2 THR A 107 -12.102 1.792 10.197 1.00 0.00 C ATOM 0 H THR A 107 -9.755 -0.682 7.828 1.00 0.00 H new ATOM 0 HA THR A 107 -12.557 -0.424 8.873 1.00 0.00 H new ATOM 0 HB THR A 107 -10.262 1.558 9.106 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.018 0.659 11.237 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.652 2.419 10.967 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.559 2.424 9.436 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.864 1.156 10.647 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.254 1.218 7.087 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.656 2.043 5.913 1.00 0.00 C ATOM 1664 C LYS A 108 -13.344 3.514 6.186 1.00 0.00 C ATOM 1665 O LYS A 108 -13.920 4.133 7.059 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.157 1.878 5.664 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.612 2.880 4.601 1.00 0.00 C ATOM 1668 CD LYS A 108 -17.129 2.787 4.429 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.591 3.822 3.401 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.991 3.520 2.988 1.00 0.00 N ATOM 0 H LYS A 108 -14.015 0.950 7.711 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.102 1.714 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.372 0.861 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.710 2.038 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.330 3.891 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.114 2.673 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.408 1.785 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.625 2.961 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.534 4.824 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.933 3.807 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.306 4.223 2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.031 2.570 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.614 3.556 3.820 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.432 4.080 5.442 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.078 5.512 5.652 1.00 0.00 C ATOM 1686 C ILE A 109 -12.065 6.232 4.303 1.00 0.00 C ATOM 1687 O ILE A 109 -11.028 6.634 3.813 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.693 5.606 6.294 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.731 4.662 5.567 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.784 5.203 7.767 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.291 5.001 5.958 1.00 0.00 C ATOM 0 H ILE A 109 -11.917 3.611 4.697 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.813 5.978 6.308 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.327 6.630 6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.955 3.627 5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.858 4.756 4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.797 5.270 8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.470 5.872 8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.150 4.179 7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.606 4.329 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.071 6.031 5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.169 4.885 7.035 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.209 6.396 3.696 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.265 7.088 2.377 1.00 0.00 C ATOM 1705 C ARG A 110 -12.676 6.176 1.300 1.00 0.00 C ATOM 1706 O ARG A 110 -12.666 6.580 0.149 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.459 8.387 2.442 1.00 0.00 C ATOM 1708 CG ARG A 110 -12.799 9.141 3.729 1.00 0.00 C ATOM 1709 CD ARG A 110 -11.515 9.691 4.352 1.00 0.00 C ATOM 1710 NE ARG A 110 -10.749 10.449 3.323 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.784 11.250 3.686 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -8.720 10.766 4.266 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -9.883 12.532 3.467 1.00 0.00 N ATOM 1714 OXT ARG A 110 -12.243 5.087 1.643 1.00 0.00 O ATOM 0 H ARG A 110 -14.109 6.080 4.058 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.302 7.319 2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.392 8.166 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.682 9.009 1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -13.490 9.956 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -13.301 8.475 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -11.756 10.341 5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.909 8.874 4.743 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.979 10.342 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.643 9.763 4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.965 11.391 4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.714 12.909 3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.129 13.158 3.751 1.00 0.00 H new TER 1728 ARG A 110