USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 54 LYS NZ :NH3+ -162:sc= -1.31 (180deg=-1.96!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= -4.6 K(o=-4.6,f=-6.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.157 K(o=-0.16,f=-6.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.73! C(o=-2.7!,f=-9!) USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= -0.294 (180deg=-0.301) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= -0.0251 (180deg=-0.316) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 2:sc= -3.63 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -11! C(o=-11!,f=-20!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.15 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.397 USER MOD Single : A 58 ASN : amide:sc= -0.765 K(o=-0.77,f=-0.15) USER MOD Single : A 62 SER OG : rot -15:sc= -0.801 USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0564) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -133:sc= 1.16 (180deg=0.00728) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -7.140 8.830 -1.629 1.00 0.00 N ATOM 21 CA ASP A 2 -6.557 10.103 -1.227 1.00 0.00 C ATOM 22 C ASP A 2 -5.065 10.140 -1.537 1.00 0.00 C ATOM 23 O ASP A 2 -4.265 9.492 -0.866 1.00 0.00 O ATOM 24 CB ASP A 2 -6.785 10.342 0.267 1.00 0.00 C ATOM 25 CG ASP A 2 -7.591 11.598 0.536 1.00 0.00 C ATOM 26 OD1 ASP A 2 -8.299 12.057 -0.385 1.00 0.00 O ATOM 27 OD2 ASP A 2 -7.514 12.121 1.667 1.00 0.00 O ATOM 0 HA ASP A 2 -7.047 10.894 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.302 9.483 0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.822 10.417 0.771 1.00 0.00 H new ATOM 32 N SER A 3 -4.696 10.899 -2.559 1.00 0.00 N ATOM 33 CA SER A 3 -3.298 11.017 -2.950 1.00 0.00 C ATOM 34 C SER A 3 -2.450 11.533 -1.792 1.00 0.00 C ATOM 35 O SER A 3 -1.246 11.291 -1.736 1.00 0.00 O ATOM 36 CB SER A 3 -3.159 11.950 -4.149 1.00 0.00 C ATOM 37 OG SER A 3 -1.829 12.421 -4.279 1.00 0.00 O ATOM 0 H SER A 3 -5.343 11.441 -3.131 1.00 0.00 H new ATOM 0 HA SER A 3 -2.941 10.025 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.452 11.425 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.838 12.795 -4.036 1.00 0.00 H new ATOM 0 HG SER A 3 -1.767 13.015 -5.056 1.00 0.00 H new ATOM 43 N LYS A 4 -3.087 12.254 -0.875 1.00 0.00 N ATOM 44 CA LYS A 4 -2.390 12.829 0.268 1.00 0.00 C ATOM 45 C LYS A 4 -1.897 11.750 1.229 1.00 0.00 C ATOM 46 O LYS A 4 -0.735 11.755 1.634 1.00 0.00 O ATOM 47 CB LYS A 4 -3.316 13.798 1.005 1.00 0.00 C ATOM 48 CG LYS A 4 -3.248 15.224 0.480 1.00 0.00 C ATOM 49 CD LYS A 4 -2.485 16.132 1.430 1.00 0.00 C ATOM 50 CE LYS A 4 -3.261 16.372 2.715 1.00 0.00 C ATOM 51 NZ LYS A 4 -3.936 17.699 2.717 1.00 0.00 N ATOM 0 H LYS A 4 -4.087 12.454 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.518 13.365 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.342 13.439 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.060 13.797 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.765 15.230 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.258 15.609 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.519 15.685 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.284 17.085 0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.005 15.586 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.583 16.309 3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.454 17.824 3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.224 18.451 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.602 17.751 1.920 1.00 0.00 H new ATOM 65 N GLU A 5 -2.780 10.821 1.587 1.00 0.00 N ATOM 66 CA GLU A 5 -2.424 9.746 2.509 1.00 0.00 C ATOM 67 C GLU A 5 -1.477 8.758 1.849 1.00 0.00 C ATOM 68 O GLU A 5 -0.418 8.435 2.388 1.00 0.00 O ATOM 69 CB GLU A 5 -3.685 9.036 3.010 1.00 0.00 C ATOM 70 CG GLU A 5 -4.357 8.123 2.005 1.00 0.00 C ATOM 71 CD GLU A 5 -5.657 7.556 2.537 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.620 6.482 3.173 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.713 8.185 2.317 1.00 0.00 O ATOM 0 H GLU A 5 -3.744 10.791 1.254 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.910 10.184 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.426 8.450 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.404 9.790 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.551 8.676 1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.682 7.306 1.749 1.00 0.00 H new ATOM 80 N VAL A 6 -1.846 8.322 0.659 1.00 0.00 N ATOM 81 CA VAL A 6 -1.027 7.376 -0.094 1.00 0.00 C ATOM 82 C VAL A 6 0.415 7.864 -0.215 1.00 0.00 C ATOM 83 O VAL A 6 1.347 7.134 0.106 1.00 0.00 O ATOM 84 CB VAL A 6 -1.602 7.128 -1.499 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.727 6.155 -2.283 1.00 0.00 C ATOM 86 CG2 VAL A 6 -3.025 6.609 -1.385 1.00 0.00 C ATOM 0 H VAL A 6 -2.706 8.604 0.189 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.038 6.438 0.461 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.614 8.071 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.155 5.997 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.277 6.568 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.676 5.204 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.430 6.434 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.028 5.675 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.640 7.345 -0.868 1.00 0.00 H new ATOM 96 N LEU A 7 0.607 9.097 -0.674 1.00 0.00 N ATOM 97 CA LEU A 7 1.956 9.638 -0.796 1.00 0.00 C ATOM 98 C LEU A 7 2.633 9.669 0.569 1.00 0.00 C ATOM 99 O LEU A 7 3.786 9.269 0.709 1.00 0.00 O ATOM 100 CB LEU A 7 1.946 11.032 -1.420 1.00 0.00 C ATOM 101 CG LEU A 7 2.773 11.166 -2.703 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.257 11.241 -2.374 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.493 10.004 -3.645 1.00 0.00 C ATOM 0 H LEU A 7 -0.139 9.730 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 7 2.522 8.985 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.915 11.310 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.320 11.746 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 7 2.483 12.090 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.830 11.336 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.446 12.107 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.560 10.334 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.090 10.117 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.753 9.066 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.435 9.995 -3.907 1.00 0.00 H new ATOM 115 N VAL A 8 1.898 10.112 1.586 1.00 0.00 N ATOM 116 CA VAL A 8 2.420 10.108 2.946 1.00 0.00 C ATOM 117 C VAL A 8 2.846 8.692 3.310 1.00 0.00 C ATOM 118 O VAL A 8 3.924 8.466 3.869 1.00 0.00 O ATOM 119 CB VAL A 8 1.373 10.607 3.960 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.892 10.480 5.385 1.00 0.00 C ATOM 121 CG2 VAL A 8 0.982 12.045 3.657 1.00 0.00 C ATOM 0 H VAL A 8 0.949 10.474 1.494 1.00 0.00 H new ATOM 0 HA VAL A 8 3.272 10.786 2.987 1.00 0.00 H new ATOM 0 HB VAL A 8 0.485 9.981 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.134 10.839 6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.116 9.435 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.798 11.075 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.242 12.381 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.864 12.682 3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.559 12.103 2.654 1.00 0.00 H new ATOM 131 N HIS A 9 1.998 7.736 2.948 1.00 0.00 N ATOM 132 CA HIS A 9 2.297 6.336 3.175 1.00 0.00 C ATOM 133 C HIS A 9 3.617 5.986 2.503 1.00 0.00 C ATOM 134 O HIS A 9 4.404 5.198 3.028 1.00 0.00 O ATOM 135 CB HIS A 9 1.165 5.450 2.649 1.00 0.00 C ATOM 136 CG HIS A 9 -0.136 5.675 3.356 1.00 0.00 C ATOM 137 ND1 HIS A 9 -0.216 6.054 4.681 1.00 0.00 N ATOM 138 CD2 HIS A 9 -1.413 5.591 2.914 1.00 0.00 C ATOM 139 CE1 HIS A 9 -1.485 6.184 5.023 1.00 0.00 C ATOM 140 NE2 HIS A 9 -2.230 5.912 3.968 1.00 0.00 N ATOM 0 H HIS A 9 1.100 7.909 2.497 1.00 0.00 H new ATOM 0 HA HIS A 9 2.386 6.157 4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.030 5.638 1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.452 4.404 2.754 1.00 0.00 H new ATOM 0 HD1 HIS A 9 0.580 6.209 5.299 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.729 5.321 1.917 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.851 6.465 6.000 1.00 0.00 H new ATOM 149 N VAL A 10 3.874 6.616 1.356 1.00 0.00 N ATOM 150 CA VAL A 10 5.137 6.424 0.660 1.00 0.00 C ATOM 151 C VAL A 10 6.279 6.937 1.524 1.00 0.00 C ATOM 152 O VAL A 10 7.388 6.421 1.470 1.00 0.00 O ATOM 153 CB VAL A 10 5.185 7.130 -0.708 1.00 0.00 C ATOM 154 CG1 VAL A 10 6.472 6.772 -1.440 1.00 0.00 C ATOM 155 CG2 VAL A 10 3.973 6.766 -1.546 1.00 0.00 C ATOM 0 H VAL A 10 3.228 7.257 0.896 1.00 0.00 H new ATOM 0 HA VAL A 10 5.236 5.354 0.478 1.00 0.00 H new ATOM 0 HB VAL A 10 5.167 8.207 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.494 7.277 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.329 7.088 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.515 5.694 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.029 7.276 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.953 5.688 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.066 7.072 -1.025 1.00 0.00 H new ATOM 165 N LYS A 11 6.001 7.978 2.306 1.00 0.00 N ATOM 166 CA LYS A 11 6.988 8.522 3.228 1.00 0.00 C ATOM 167 C LYS A 11 7.487 7.411 4.142 1.00 0.00 C ATOM 168 O LYS A 11 8.691 7.219 4.323 1.00 0.00 O ATOM 169 CB LYS A 11 6.365 9.643 4.057 1.00 0.00 C ATOM 170 CG LYS A 11 7.372 10.663 4.564 1.00 0.00 C ATOM 171 CD LYS A 11 6.689 11.786 5.328 1.00 0.00 C ATOM 172 CE LYS A 11 7.190 13.150 4.882 1.00 0.00 C ATOM 173 NZ LYS A 11 6.190 14.223 5.141 1.00 0.00 N ATOM 0 H LYS A 11 5.102 8.459 2.318 1.00 0.00 H new ATOM 0 HA LYS A 11 7.827 8.930 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.615 10.155 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.844 9.206 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.097 10.170 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.926 11.078 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.611 11.726 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.869 11.663 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.117 13.385 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.423 13.121 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.571 15.137 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.314 14.013 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.986 14.269 6.160 1.00 0.00 H new ATOM 187 N ASN A 12 6.542 6.654 4.683 1.00 0.00 N ATOM 188 CA ASN A 12 6.861 5.509 5.515 1.00 0.00 C ATOM 189 C ASN A 12 7.532 4.441 4.671 1.00 0.00 C ATOM 190 O ASN A 12 8.581 3.904 5.029 1.00 0.00 O ATOM 191 CB ASN A 12 5.582 4.953 6.134 1.00 0.00 C ATOM 192 CG ASN A 12 4.637 6.044 6.599 1.00 0.00 C ATOM 193 OD1 ASN A 12 4.191 6.875 5.808 1.00 0.00 O ATOM 194 ND2 ASN A 12 4.328 6.047 7.891 1.00 0.00 N ATOM 0 H ASN A 12 5.543 6.816 4.557 1.00 0.00 H new ATOM 0 HA ASN A 12 7.539 5.816 6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.073 4.324 5.404 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.839 4.316 6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.698 6.758 8.263 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.721 5.339 8.511 1.00 0.00 H new ATOM 201 N LEU A 13 6.928 4.174 3.523 1.00 0.00 N ATOM 202 CA LEU A 13 7.464 3.232 2.556 1.00 0.00 C ATOM 203 C LEU A 13 8.928 3.572 2.270 1.00 0.00 C ATOM 204 O LEU A 13 9.789 2.697 2.241 1.00 0.00 O ATOM 205 CB LEU A 13 6.609 3.325 1.283 1.00 0.00 C ATOM 206 CG LEU A 13 6.775 2.216 0.236 1.00 0.00 C ATOM 207 CD1 LEU A 13 6.207 2.654 -1.101 1.00 0.00 C ATOM 208 CD2 LEU A 13 8.222 1.856 0.064 1.00 0.00 C ATOM 0 H LEU A 13 6.050 4.606 3.236 1.00 0.00 H new ATOM 0 HA LEU A 13 7.430 2.212 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.561 3.351 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.826 4.278 0.801 1.00 0.00 H new ATOM 0 HG LEU A 13 6.230 1.342 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.334 1.854 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.146 2.878 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.732 3.545 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.315 1.068 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.779 2.734 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.625 1.505 1.014 1.00 0.00 H new ATOM 220 N GLU A 14 9.192 4.867 2.133 1.00 0.00 N ATOM 221 CA GLU A 14 10.531 5.383 1.875 1.00 0.00 C ATOM 222 C GLU A 14 11.526 4.902 2.919 1.00 0.00 C ATOM 223 O GLU A 14 12.579 4.363 2.586 1.00 0.00 O ATOM 224 CB GLU A 14 10.492 6.910 1.861 1.00 0.00 C ATOM 225 CG GLU A 14 10.488 7.502 0.463 1.00 0.00 C ATOM 226 CD GLU A 14 10.716 9.001 0.464 1.00 0.00 C ATOM 227 OE1 GLU A 14 11.674 9.456 1.125 1.00 0.00 O ATOM 228 OE2 GLU A 14 9.937 9.720 -0.196 1.00 0.00 O ATOM 0 H GLU A 14 8.478 5.593 2.198 1.00 0.00 H new ATOM 0 HA GLU A 14 10.859 5.009 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.603 7.248 2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.354 7.293 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.263 7.021 -0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.534 7.284 -0.017 1.00 0.00 H new ATOM 235 N LYS A 15 11.202 5.117 4.183 1.00 0.00 N ATOM 236 CA LYS A 15 12.084 4.700 5.258 1.00 0.00 C ATOM 237 C LYS A 15 12.399 3.211 5.149 1.00 0.00 C ATOM 238 O LYS A 15 13.519 2.776 5.414 1.00 0.00 O ATOM 239 CB LYS A 15 11.440 5.004 6.611 1.00 0.00 C ATOM 240 CG LYS A 15 12.127 6.123 7.374 1.00 0.00 C ATOM 241 CD LYS A 15 11.342 6.518 8.614 1.00 0.00 C ATOM 242 CE LYS A 15 12.263 6.930 9.750 1.00 0.00 C ATOM 243 NZ LYS A 15 12.776 5.754 10.506 1.00 0.00 N ATOM 0 H LYS A 15 10.342 5.574 4.488 1.00 0.00 H new ATOM 0 HA LYS A 15 13.018 5.256 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.395 5.271 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.451 4.100 7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.129 5.806 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.242 6.990 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.670 7.341 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.720 5.682 8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.103 7.497 9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.727 7.592 10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.400 6.079 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.977 5.226 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.310 5.134 9.864 1.00 0.00 H new ATOM 257 N ASN A 16 11.395 2.441 4.748 1.00 0.00 N ATOM 258 CA ASN A 16 11.529 0.993 4.602 1.00 0.00 C ATOM 259 C ASN A 16 12.086 0.599 3.231 1.00 0.00 C ATOM 260 O ASN A 16 12.514 -0.537 3.033 1.00 0.00 O ATOM 261 CB ASN A 16 10.166 0.331 4.799 1.00 0.00 C ATOM 262 CG ASN A 16 9.652 0.476 6.218 1.00 0.00 C ATOM 263 OD1 ASN A 16 9.717 -0.460 7.014 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.136 1.657 6.541 1.00 0.00 N ATOM 0 H ASN A 16 10.468 2.798 4.515 1.00 0.00 H new ATOM 0 HA ASN A 16 12.234 0.652 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.448 0.773 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.240 -0.727 4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.774 1.815 7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.102 2.405 5.849 1.00 0.00 H new ATOM 271 N LYS A 17 12.008 1.522 2.276 1.00 0.00 N ATOM 272 CA LYS A 17 12.370 1.251 0.886 1.00 0.00 C ATOM 273 C LYS A 17 13.686 0.511 0.701 1.00 0.00 C ATOM 274 O LYS A 17 14.684 1.106 0.292 1.00 0.00 O ATOM 275 CB LYS A 17 12.449 2.549 0.084 1.00 0.00 C ATOM 276 CG LYS A 17 11.129 2.998 -0.502 1.00 0.00 C ATOM 277 CD LYS A 17 11.315 4.138 -1.492 1.00 0.00 C ATOM 278 CE LYS A 17 10.131 4.256 -2.437 1.00 0.00 C ATOM 279 NZ LYS A 17 9.125 5.239 -1.946 1.00 0.00 N ATOM 0 H LYS A 17 11.693 2.478 2.443 1.00 0.00 H new ATOM 0 HA LYS A 17 11.575 0.599 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.834 3.338 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.168 2.420 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.647 2.157 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.464 3.317 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.443 5.075 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.226 3.976 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.482 4.558 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.659 3.280 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.350 5.316 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.746 4.920 -1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.577 6.168 -1.828 1.00 0.00 H new ATOM 293 N SER A 18 13.640 -0.805 0.807 1.00 0.00 N ATOM 294 CA SER A 18 14.768 -1.622 0.412 1.00 0.00 C ATOM 295 C SER A 18 14.856 -1.552 -1.113 1.00 0.00 C ATOM 296 O SER A 18 15.940 -1.490 -1.694 1.00 0.00 O ATOM 297 CB SER A 18 14.590 -3.069 0.876 1.00 0.00 C ATOM 298 OG SER A 18 15.802 -3.594 1.387 1.00 0.00 O ATOM 0 H SER A 18 12.838 -1.326 1.161 1.00 0.00 H new ATOM 0 HA SER A 18 15.685 -1.255 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.818 -3.115 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.248 -3.682 0.042 1.00 0.00 H new ATOM 0 HG SER A 18 15.661 -4.519 1.678 1.00 0.00 H new ATOM 304 N ASN A 19 13.674 -1.469 -1.733 1.00 0.00 N ATOM 305 CA ASN A 19 13.534 -1.270 -3.171 1.00 0.00 C ATOM 306 C ASN A 19 12.986 0.128 -3.409 1.00 0.00 C ATOM 307 O ASN A 19 11.973 0.491 -2.829 1.00 0.00 O ATOM 308 CB ASN A 19 12.563 -2.295 -3.756 1.00 0.00 C ATOM 309 CG ASN A 19 13.222 -3.213 -4.765 1.00 0.00 C ATOM 310 OD1 ASN A 19 13.279 -2.909 -5.956 1.00 0.00 O ATOM 311 ND2 ASN A 19 13.724 -4.349 -4.292 1.00 0.00 N ATOM 0 H ASN A 19 12.783 -1.539 -1.242 1.00 0.00 H new ATOM 0 HA ASN A 19 14.504 -1.391 -3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.141 -2.893 -2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.733 -1.773 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.178 -5.008 -4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.655 -4.562 -3.297 1.00 0.00 H new ATOM 318 N ASP A 20 13.730 0.970 -4.098 1.00 0.00 N ATOM 319 CA ASP A 20 13.275 2.335 -4.307 1.00 0.00 C ATOM 320 C ASP A 20 12.159 2.456 -5.351 1.00 0.00 C ATOM 321 O ASP A 20 11.060 2.932 -5.059 1.00 0.00 O ATOM 322 CB ASP A 20 14.453 3.220 -4.717 1.00 0.00 C ATOM 323 CG ASP A 20 15.572 3.204 -3.695 1.00 0.00 C ATOM 324 OD1 ASP A 20 15.276 3.038 -2.492 1.00 0.00 O ATOM 325 OD2 ASP A 20 16.745 3.358 -4.096 1.00 0.00 O ATOM 0 H ASP A 20 14.633 0.743 -4.515 1.00 0.00 H new ATOM 0 HA ASP A 20 12.856 2.667 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.839 2.883 -5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.104 4.244 -4.854 1.00 0.00 H new ATOM 330 N ALA A 21 12.473 2.058 -6.581 1.00 0.00 N ATOM 331 CA ALA A 21 11.582 2.265 -7.720 1.00 0.00 C ATOM 332 C ALA A 21 10.317 1.403 -7.724 1.00 0.00 C ATOM 333 O ALA A 21 9.223 1.917 -7.960 1.00 0.00 O ATOM 334 CB ALA A 21 12.356 2.065 -9.009 1.00 0.00 C ATOM 0 H ALA A 21 13.346 1.586 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 21 11.222 3.290 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.692 2.219 -9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.177 2.780 -9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.756 1.051 -9.040 1.00 0.00 H new ATOM 340 N ALA A 22 10.456 0.096 -7.532 1.00 0.00 N ATOM 341 CA ALA A 22 9.303 -0.801 -7.642 1.00 0.00 C ATOM 342 C ALA A 22 8.156 -0.345 -6.759 1.00 0.00 C ATOM 343 O ALA A 22 7.092 0.018 -7.248 1.00 0.00 O ATOM 344 CB ALA A 22 9.705 -2.223 -7.286 1.00 0.00 C ATOM 0 H ALA A 22 11.337 -0.364 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 22 8.960 -0.775 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.838 -2.878 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.485 -2.562 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.080 -2.250 -6.263 1.00 0.00 H new ATOM 350 N VAL A 23 8.411 -0.268 -5.474 1.00 0.00 N ATOM 351 CA VAL A 23 7.407 0.177 -4.527 1.00 0.00 C ATOM 352 C VAL A 23 7.002 1.612 -4.813 1.00 0.00 C ATOM 353 O VAL A 23 5.843 1.985 -4.651 1.00 0.00 O ATOM 354 CB VAL A 23 7.946 0.064 -3.100 1.00 0.00 C ATOM 355 CG1 VAL A 23 7.943 -1.395 -2.682 1.00 0.00 C ATOM 356 CG2 VAL A 23 9.352 0.638 -3.045 1.00 0.00 C ATOM 0 H VAL A 23 9.309 -0.509 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 23 6.529 -0.460 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 23 7.315 0.628 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.326 -1.483 -1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.925 -1.783 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.576 -1.969 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.738 0.558 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.999 0.082 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.329 1.686 -3.343 1.00 0.00 H new ATOM 366 N LEU A 24 7.963 2.402 -5.269 1.00 0.00 N ATOM 367 CA LEU A 24 7.710 3.792 -5.604 1.00 0.00 C ATOM 368 C LEU A 24 6.673 3.899 -6.718 1.00 0.00 C ATOM 369 O LEU A 24 5.669 4.599 -6.582 1.00 0.00 O ATOM 370 CB LEU A 24 9.013 4.452 -6.044 1.00 0.00 C ATOM 371 CG LEU A 24 8.854 5.811 -6.729 1.00 0.00 C ATOM 372 CD1 LEU A 24 9.559 6.887 -5.926 1.00 0.00 C ATOM 373 CD2 LEU A 24 9.387 5.760 -8.151 1.00 0.00 C ATOM 0 H LEU A 24 8.927 2.101 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 24 7.320 4.301 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.652 4.576 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.532 3.778 -6.725 1.00 0.00 H new ATOM 0 HG LEU A 24 7.793 6.056 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.439 7.850 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.126 6.938 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.620 6.648 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.265 6.736 -8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.444 5.495 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.835 5.012 -8.720 1.00 0.00 H new ATOM 385 N GLU A 25 6.928 3.204 -7.820 1.00 0.00 N ATOM 386 CA GLU A 25 6.015 3.215 -8.953 1.00 0.00 C ATOM 387 C GLU A 25 4.799 2.351 -8.667 1.00 0.00 C ATOM 388 O GLU A 25 3.691 2.648 -9.112 1.00 0.00 O ATOM 389 CB GLU A 25 6.725 2.722 -10.212 1.00 0.00 C ATOM 390 CG GLU A 25 7.013 3.830 -11.207 1.00 0.00 C ATOM 391 CD GLU A 25 8.382 3.704 -11.845 1.00 0.00 C ATOM 392 OE1 GLU A 25 9.089 2.719 -11.544 1.00 0.00 O ATOM 393 OE2 GLU A 25 8.748 4.589 -12.647 1.00 0.00 O ATOM 0 H GLU A 25 7.759 2.627 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 25 5.682 4.240 -9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.663 2.244 -9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.111 1.961 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.251 3.819 -11.987 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.939 4.793 -10.703 1.00 0.00 H new ATOM 400 N ILE A 26 5.016 1.282 -7.913 1.00 0.00 N ATOM 401 CA ILE A 26 3.931 0.386 -7.539 1.00 0.00 C ATOM 402 C ILE A 26 2.895 1.139 -6.718 1.00 0.00 C ATOM 403 O ILE A 26 1.697 1.030 -6.974 1.00 0.00 O ATOM 404 CB ILE A 26 4.459 -0.856 -6.762 1.00 0.00 C ATOM 405 CG1 ILE A 26 5.094 -1.851 -7.734 1.00 0.00 C ATOM 406 CG2 ILE A 26 3.356 -1.554 -5.968 1.00 0.00 C ATOM 407 CD1 ILE A 26 5.745 -3.030 -7.045 1.00 0.00 C ATOM 0 H ILE A 26 5.931 1.015 -7.549 1.00 0.00 H new ATOM 0 HA ILE A 26 3.460 0.021 -8.452 1.00 0.00 H new ATOM 0 HB ILE A 26 5.205 -0.498 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.329 -2.217 -8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.841 -1.334 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.773 -2.414 -5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.933 -0.858 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.574 -1.889 -6.649 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.175 -3.696 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.532 -2.674 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.997 -3.571 -6.465 1.00 0.00 H new ATOM 419 N LEU A 27 3.354 1.912 -5.745 1.00 0.00 N ATOM 420 CA LEU A 27 2.431 2.644 -4.894 1.00 0.00 C ATOM 421 C LEU A 27 1.785 3.804 -5.644 1.00 0.00 C ATOM 422 O LEU A 27 0.582 4.039 -5.520 1.00 0.00 O ATOM 423 CB LEU A 27 3.118 3.163 -3.625 1.00 0.00 C ATOM 424 CG LEU A 27 2.522 2.652 -2.306 1.00 0.00 C ATOM 425 CD1 LEU A 27 2.944 3.539 -1.150 1.00 0.00 C ATOM 426 CD2 LEU A 27 1.004 2.585 -2.380 1.00 0.00 C ATOM 0 H LEU A 27 4.342 2.047 -5.528 1.00 0.00 H new ATOM 0 HA LEU A 27 1.652 1.941 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.171 2.885 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.075 4.252 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 27 2.904 1.645 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.511 3.160 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.031 3.539 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.593 4.556 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.609 2.220 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.605 3.580 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.708 1.908 -3.181 1.00 0.00 H new ATOM 438 N HIS A 28 2.588 4.535 -6.408 1.00 0.00 N ATOM 439 CA HIS A 28 2.088 5.679 -7.160 1.00 0.00 C ATOM 440 C HIS A 28 0.894 5.284 -8.020 1.00 0.00 C ATOM 441 O HIS A 28 -0.181 5.874 -7.917 1.00 0.00 O ATOM 442 CB HIS A 28 3.195 6.248 -8.047 1.00 0.00 C ATOM 443 CG HIS A 28 3.051 7.713 -8.322 1.00 0.00 C ATOM 444 ND1 HIS A 28 3.187 8.679 -7.346 1.00 0.00 N ATOM 445 CD2 HIS A 28 2.783 8.378 -9.471 1.00 0.00 C ATOM 446 CE1 HIS A 28 3.008 9.873 -7.883 1.00 0.00 C ATOM 447 NE2 HIS A 28 2.762 9.717 -9.170 1.00 0.00 N ATOM 0 H HIS A 28 3.586 4.356 -6.523 1.00 0.00 H new ATOM 0 HA HIS A 28 1.767 6.440 -6.448 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.159 6.070 -7.570 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.203 5.708 -8.994 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.617 7.937 -10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.055 10.816 -7.358 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.585 10.470 -9.834 1.00 0.00 H new ATOM 456 N VAL A 29 1.085 4.277 -8.866 1.00 0.00 N ATOM 457 CA VAL A 29 0.012 3.793 -9.726 1.00 0.00 C ATOM 458 C VAL A 29 -1.044 3.075 -8.899 1.00 0.00 C ATOM 459 O VAL A 29 -2.238 3.152 -9.189 1.00 0.00 O ATOM 460 CB VAL A 29 0.542 2.835 -10.806 1.00 0.00 C ATOM 461 CG1 VAL A 29 1.272 1.665 -10.167 1.00 0.00 C ATOM 462 CG2 VAL A 29 -0.593 2.348 -11.694 1.00 0.00 C ATOM 0 H VAL A 29 1.970 3.782 -8.974 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.428 4.661 -10.217 1.00 0.00 H new ATOM 0 HB VAL A 29 1.251 3.377 -11.432 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.640 0.997 -10.946 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.112 2.037 -9.580 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.588 1.121 -9.516 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.198 1.671 -12.452 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.330 1.822 -11.087 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.066 3.201 -12.181 1.00 0.00 H new ATOM 472 N LEU A 30 -0.591 2.398 -7.851 1.00 0.00 N ATOM 473 CA LEU A 30 -1.487 1.693 -6.943 1.00 0.00 C ATOM 474 C LEU A 30 -2.620 2.607 -6.501 1.00 0.00 C ATOM 475 O LEU A 30 -3.741 2.156 -6.273 1.00 0.00 O ATOM 476 CB LEU A 30 -0.721 1.193 -5.724 1.00 0.00 C ATOM 477 CG LEU A 30 -0.297 -0.276 -5.780 1.00 0.00 C ATOM 478 CD1 LEU A 30 0.768 -0.569 -4.732 1.00 0.00 C ATOM 479 CD2 LEU A 30 -1.503 -1.181 -5.587 1.00 0.00 C ATOM 0 H LEU A 30 0.397 2.322 -7.608 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.908 0.838 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.170 1.807 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.340 1.343 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 30 0.131 -0.475 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.055 -1.619 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.641 0.057 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.371 -0.355 -3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.186 -2.223 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.958 -0.979 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.231 -0.991 -6.376 1.00 0.00 H new ATOM 491 N ASP A 31 -2.328 3.907 -6.449 1.00 0.00 N ATOM 492 CA ASP A 31 -3.302 4.904 -6.022 1.00 0.00 C ATOM 493 C ASP A 31 -4.623 4.712 -6.755 1.00 0.00 C ATOM 494 O ASP A 31 -5.688 5.049 -6.238 1.00 0.00 O ATOM 495 CB ASP A 31 -2.763 6.304 -6.302 1.00 0.00 C ATOM 496 CG ASP A 31 -3.108 7.292 -5.206 1.00 0.00 C ATOM 497 OD1 ASP A 31 -4.270 7.747 -5.161 1.00 0.00 O ATOM 498 OD2 ASP A 31 -2.215 7.615 -4.395 1.00 0.00 O ATOM 0 H ASP A 31 -1.418 4.293 -6.700 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.474 4.784 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.680 6.256 -6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.167 6.662 -7.249 1.00 0.00 H new ATOM 503 N LYS A 32 -4.548 4.127 -7.943 1.00 0.00 N ATOM 504 CA LYS A 32 -5.735 3.839 -8.728 1.00 0.00 C ATOM 505 C LYS A 32 -6.611 2.828 -7.988 1.00 0.00 C ATOM 506 O LYS A 32 -7.752 3.124 -7.632 1.00 0.00 O ATOM 507 CB LYS A 32 -5.302 3.308 -10.104 1.00 0.00 C ATOM 508 CG LYS A 32 -6.346 2.500 -10.865 1.00 0.00 C ATOM 509 CD LYS A 32 -5.684 1.375 -11.637 1.00 0.00 C ATOM 510 CE LYS A 32 -5.226 0.281 -10.691 1.00 0.00 C ATOM 511 NZ LYS A 32 -3.743 0.173 -10.640 1.00 0.00 N ATOM 0 H LYS A 32 -3.673 3.843 -8.383 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.324 4.744 -8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.006 4.156 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.417 2.686 -9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.077 2.090 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.889 3.150 -11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.383 0.965 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.832 1.761 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.609 0.483 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.648 -0.673 -11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.473 -0.811 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.342 0.460 -11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.375 0.794 -9.891 1.00 0.00 H new ATOM 525 N GLU A 33 -6.065 1.638 -7.752 1.00 0.00 N ATOM 526 CA GLU A 33 -6.782 0.598 -7.026 1.00 0.00 C ATOM 527 C GLU A 33 -6.244 0.464 -5.604 1.00 0.00 C ATOM 528 O GLU A 33 -6.169 -0.638 -5.060 1.00 0.00 O ATOM 529 CB GLU A 33 -6.665 -0.738 -7.748 1.00 0.00 C ATOM 530 CG GLU A 33 -7.884 -1.092 -8.584 1.00 0.00 C ATOM 531 CD GLU A 33 -7.811 -2.494 -9.156 1.00 0.00 C ATOM 532 OE1 GLU A 33 -7.020 -2.711 -10.097 1.00 0.00 O ATOM 533 OE2 GLU A 33 -8.544 -3.375 -8.662 1.00 0.00 O ATOM 0 H GLU A 33 -5.128 1.372 -8.054 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.833 0.884 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.787 -0.716 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.500 -1.525 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.780 -1.000 -7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.981 -0.375 -9.400 1.00 0.00 H new ATOM 540 N PHE A 34 -5.852 1.585 -5.013 1.00 0.00 N ATOM 541 CA PHE A 34 -5.249 1.571 -3.690 1.00 0.00 C ATOM 542 C PHE A 34 -6.276 1.408 -2.575 1.00 0.00 C ATOM 543 O PHE A 34 -7.486 1.484 -2.788 1.00 0.00 O ATOM 544 CB PHE A 34 -4.400 2.818 -3.451 1.00 0.00 C ATOM 545 CG PHE A 34 -3.306 2.578 -2.446 1.00 0.00 C ATOM 546 CD1 PHE A 34 -2.525 1.436 -2.524 1.00 0.00 C ATOM 547 CD2 PHE A 34 -3.106 3.446 -1.388 1.00 0.00 C ATOM 548 CE1 PHE A 34 -1.548 1.182 -1.583 1.00 0.00 C ATOM 549 CE2 PHE A 34 -2.131 3.197 -0.442 1.00 0.00 C ATOM 550 CZ PHE A 34 -1.351 2.064 -0.539 1.00 0.00 C ATOM 0 H PHE A 34 -5.941 2.512 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.601 0.695 -3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.960 3.142 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.039 3.629 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.683 0.736 -3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.720 4.330 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.938 0.294 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.980 3.889 0.373 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.588 1.867 0.200 1.00 0.00 H new ATOM 560 N VAL A 35 -5.743 1.166 -1.383 1.00 0.00 N ATOM 561 CA VAL A 35 -6.514 0.857 -0.188 1.00 0.00 C ATOM 562 C VAL A 35 -7.046 2.054 0.645 1.00 0.00 C ATOM 563 O VAL A 35 -7.512 1.830 1.754 1.00 0.00 O ATOM 564 CB VAL A 35 -5.609 0.021 0.734 1.00 0.00 C ATOM 565 CG1 VAL A 35 -4.422 0.848 1.196 1.00 0.00 C ATOM 566 CG2 VAL A 35 -6.369 -0.558 1.910 1.00 0.00 C ATOM 0 H VAL A 35 -4.736 1.180 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.408 0.349 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.239 -0.826 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.790 0.245 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.845 1.172 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.778 1.721 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.689 -1.140 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.798 0.252 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.168 -1.203 1.545 1.00 0.00 H new ATOM 576 N PRO A 36 -6.978 3.329 0.202 1.00 0.00 N ATOM 577 CA PRO A 36 -7.446 4.444 1.024 1.00 0.00 C ATOM 578 C PRO A 36 -8.894 4.864 0.776 1.00 0.00 C ATOM 579 O PRO A 36 -9.135 5.914 0.179 1.00 0.00 O ATOM 580 CB PRO A 36 -6.515 5.564 0.598 1.00 0.00 C ATOM 581 CG PRO A 36 -6.222 5.298 -0.838 1.00 0.00 C ATOM 582 CD PRO A 36 -6.416 3.816 -1.063 1.00 0.00 C ATOM 0 HA PRO A 36 -7.431 4.181 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.984 6.539 0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.602 5.566 1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.887 5.876 -1.480 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.203 5.595 -1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.090 3.625 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.473 3.322 -1.296 1.00 0.00 H new ATOM 590 N THR A 37 -9.860 4.116 1.307 1.00 0.00 N ATOM 591 CA THR A 37 -11.256 4.519 1.191 1.00 0.00 C ATOM 592 C THR A 37 -11.854 4.660 2.587 1.00 0.00 C ATOM 593 O THR A 37 -11.133 4.565 3.581 1.00 0.00 O ATOM 594 CB THR A 37 -12.075 3.546 0.330 1.00 0.00 C ATOM 595 OG1 THR A 37 -12.809 2.641 1.137 1.00 0.00 O ATOM 596 CG2 THR A 37 -11.246 2.742 -0.656 1.00 0.00 C ATOM 0 H THR A 37 -9.704 3.244 1.812 1.00 0.00 H new ATOM 0 HA THR A 37 -11.294 5.481 0.680 1.00 0.00 H new ATOM 0 HB THR A 37 -12.746 4.185 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.323 2.034 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.899 2.080 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.733 3.420 -1.338 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.510 2.148 -0.114 1.00 0.00 H new ATOM 604 N GLU A 38 -13.159 4.898 2.679 1.00 0.00 N ATOM 605 CA GLU A 38 -13.793 5.071 3.986 1.00 0.00 C ATOM 606 C GLU A 38 -13.414 3.925 4.921 1.00 0.00 C ATOM 607 O GLU A 38 -12.793 4.139 5.962 1.00 0.00 O ATOM 608 CB GLU A 38 -15.313 5.141 3.835 1.00 0.00 C ATOM 609 CG GLU A 38 -16.039 5.444 5.136 1.00 0.00 C ATOM 610 CD GLU A 38 -16.731 6.792 5.117 1.00 0.00 C ATOM 611 OE1 GLU A 38 -16.028 7.820 5.030 1.00 0.00 O ATOM 612 OE2 GLU A 38 -17.978 6.820 5.190 1.00 0.00 O ATOM 0 H GLU A 38 -13.790 4.975 1.881 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.438 6.007 4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.562 5.908 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.675 4.192 3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.776 4.664 5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.326 5.417 5.960 1.00 0.00 H new ATOM 619 N LYS A 39 -13.755 2.706 4.520 1.00 0.00 N ATOM 620 CA LYS A 39 -13.380 1.518 5.277 1.00 0.00 C ATOM 621 C LYS A 39 -11.936 1.132 4.977 1.00 0.00 C ATOM 622 O LYS A 39 -11.135 0.892 5.880 1.00 0.00 O ATOM 623 CB LYS A 39 -14.309 0.350 4.938 1.00 0.00 C ATOM 624 CG LYS A 39 -15.785 0.689 5.059 1.00 0.00 C ATOM 625 CD LYS A 39 -16.576 -0.477 5.630 1.00 0.00 C ATOM 626 CE LYS A 39 -17.708 0.001 6.524 1.00 0.00 C ATOM 627 NZ LYS A 39 -18.499 -1.135 7.075 1.00 0.00 N ATOM 0 H LYS A 39 -14.291 2.514 3.674 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.474 1.746 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.104 0.018 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.082 -0.487 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.908 1.563 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.181 0.954 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.983 -1.076 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.910 -1.125 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.298 0.590 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.365 0.659 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.261 -0.767 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.911 -1.683 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.877 -1.750 7.638 1.00 0.00 H new ATOM 641 N LEU A 40 -11.632 1.065 3.686 1.00 0.00 N ATOM 642 CA LEU A 40 -10.315 0.675 3.202 1.00 0.00 C ATOM 643 C LEU A 40 -9.197 1.503 3.830 1.00 0.00 C ATOM 644 O LEU A 40 -8.073 1.026 3.966 1.00 0.00 O ATOM 645 CB LEU A 40 -10.287 0.822 1.681 1.00 0.00 C ATOM 646 CG LEU A 40 -10.154 -0.471 0.893 1.00 0.00 C ATOM 647 CD1 LEU A 40 -11.479 -1.192 0.908 1.00 0.00 C ATOM 648 CD2 LEU A 40 -9.721 -0.181 -0.536 1.00 0.00 C ATOM 0 H LEU A 40 -12.296 1.281 2.943 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.139 -0.362 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.202 1.324 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.457 1.475 1.413 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.392 -1.101 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.394 -2.121 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.760 -1.416 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.242 -0.561 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.631 -1.118 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.464 0.454 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.758 0.329 -0.528 1.00 0.00 H new ATOM 660 N LEU A 41 -9.489 2.745 4.205 1.00 0.00 N ATOM 661 CA LEU A 41 -8.476 3.600 4.823 1.00 0.00 C ATOM 662 C LEU A 41 -7.815 2.873 5.988 1.00 0.00 C ATOM 663 O LEU A 41 -6.591 2.785 6.058 1.00 0.00 O ATOM 664 CB LEU A 41 -9.096 4.914 5.291 1.00 0.00 C ATOM 665 CG LEU A 41 -8.232 5.745 6.245 1.00 0.00 C ATOM 666 CD1 LEU A 41 -8.345 5.204 7.661 1.00 0.00 C ATOM 667 CD2 LEU A 41 -6.780 5.756 5.787 1.00 0.00 C ATOM 0 H LEU A 41 -10.405 3.179 4.095 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.713 3.830 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.326 5.520 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.043 4.694 5.784 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.596 6.773 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.727 5.803 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.384 5.252 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.006 4.168 7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.185 6.352 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.398 4.736 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.717 6.189 4.789 1.00 0.00 H new ATOM 679 N ARG A 42 -8.618 2.277 6.857 1.00 0.00 N ATOM 680 CA ARG A 42 -8.064 1.472 7.938 1.00 0.00 C ATOM 681 C ARG A 42 -7.249 0.331 7.335 1.00 0.00 C ATOM 682 O ARG A 42 -6.160 -0.018 7.817 1.00 0.00 O ATOM 683 CB ARG A 42 -9.173 0.934 8.849 1.00 0.00 C ATOM 684 CG ARG A 42 -9.915 -0.270 8.288 1.00 0.00 C ATOM 685 CD ARG A 42 -11.381 -0.261 8.686 1.00 0.00 C ATOM 686 NE ARG A 42 -11.659 -1.188 9.780 1.00 0.00 N ATOM 687 CZ ARG A 42 -11.727 -2.506 9.628 1.00 0.00 C ATOM 688 NH1 ARG A 42 -11.535 -3.047 8.432 1.00 0.00 N ATOM 689 NH2 ARG A 42 -11.985 -3.285 10.669 1.00 0.00 N ATOM 0 H ARG A 42 -9.636 2.332 6.838 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.416 2.094 8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.737 0.662 9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.891 1.732 9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.833 -0.274 7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.446 -1.186 8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.669 0.747 8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.992 -0.526 7.823 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.809 -0.802 10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.335 -2.451 7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.587 -4.059 8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.132 -2.873 11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.037 -4.297 10.549 1.00 0.00 H new ATOM 703 N GLU A 43 -7.757 -0.215 6.234 1.00 0.00 N ATOM 704 CA GLU A 43 -7.029 -1.242 5.521 1.00 0.00 C ATOM 705 C GLU A 43 -5.733 -0.651 4.993 1.00 0.00 C ATOM 706 O GLU A 43 -4.758 -1.359 4.806 1.00 0.00 O ATOM 707 CB GLU A 43 -7.850 -1.824 4.377 1.00 0.00 C ATOM 708 CG GLU A 43 -8.656 -3.053 4.765 1.00 0.00 C ATOM 709 CD GLU A 43 -10.151 -2.807 4.718 1.00 0.00 C ATOM 710 OE1 GLU A 43 -10.731 -2.885 3.615 1.00 0.00 O ATOM 711 OE2 GLU A 43 -10.742 -2.537 5.785 1.00 0.00 O ATOM 0 H GLU A 43 -8.657 0.036 5.826 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.814 -2.058 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.530 -1.058 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.181 -2.084 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.405 -3.874 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.374 -3.366 5.770 1.00 0.00 H new ATOM 718 N THR A 44 -5.730 0.665 4.769 1.00 0.00 N ATOM 719 CA THR A 44 -4.519 1.360 4.365 1.00 0.00 C ATOM 720 C THR A 44 -3.536 1.303 5.512 1.00 0.00 C ATOM 721 O THR A 44 -2.327 1.254 5.307 1.00 0.00 O ATOM 722 CB THR A 44 -4.785 2.821 3.954 1.00 0.00 C ATOM 723 OG1 THR A 44 -5.942 2.931 3.149 1.00 0.00 O ATOM 724 CG2 THR A 44 -3.640 3.441 3.173 1.00 0.00 C ATOM 0 H THR A 44 -6.551 1.263 4.862 1.00 0.00 H new ATOM 0 HA THR A 44 -4.112 0.865 3.483 1.00 0.00 H new ATOM 0 HB THR A 44 -4.910 3.354 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.357 2.049 3.051 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.891 4.470 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.736 3.430 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.470 2.869 2.261 1.00 0.00 H new ATOM 732 N LYS A 45 -4.069 1.220 6.728 1.00 0.00 N ATOM 733 CA LYS A 45 -3.229 1.048 7.896 1.00 0.00 C ATOM 734 C LYS A 45 -2.418 -0.227 7.733 1.00 0.00 C ATOM 735 O LYS A 45 -1.192 -0.228 7.890 1.00 0.00 O ATOM 736 CB LYS A 45 -4.077 0.976 9.165 1.00 0.00 C ATOM 737 CG LYS A 45 -3.385 1.562 10.384 1.00 0.00 C ATOM 738 CD LYS A 45 -4.363 2.309 11.276 1.00 0.00 C ATOM 739 CE LYS A 45 -3.642 3.239 12.236 1.00 0.00 C ATOM 740 NZ LYS A 45 -4.573 4.216 12.866 1.00 0.00 N ATOM 0 H LYS A 45 -5.069 1.269 6.923 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.559 1.903 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.014 1.507 8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.331 -0.065 9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.910 0.763 10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.593 2.239 10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.053 2.885 10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.961 1.594 11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.153 2.651 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.859 3.776 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.043 4.833 13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.021 4.794 12.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.306 3.704 13.397 1.00 0.00 H new ATOM 754 N VAL A 46 -3.096 -1.306 7.345 1.00 0.00 N ATOM 755 CA VAL A 46 -2.394 -2.560 7.095 1.00 0.00 C ATOM 756 C VAL A 46 -1.692 -2.495 5.746 1.00 0.00 C ATOM 757 O VAL A 46 -0.530 -2.877 5.625 1.00 0.00 O ATOM 758 CB VAL A 46 -3.324 -3.786 7.140 1.00 0.00 C ATOM 759 CG1 VAL A 46 -4.487 -3.622 6.178 1.00 0.00 C ATOM 760 CG2 VAL A 46 -2.549 -5.060 6.839 1.00 0.00 C ATOM 0 H VAL A 46 -4.105 -1.338 7.200 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.665 -2.684 7.896 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.731 -3.864 8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.129 -4.502 6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.062 -2.737 6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.106 -3.509 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.225 -5.914 6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.106 -4.990 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.760 -5.189 7.580 1.00 0.00 H new ATOM 770 N GLY A 47 -2.384 -1.931 4.758 1.00 0.00 N ATOM 771 CA GLY A 47 -1.805 -1.751 3.443 1.00 0.00 C ATOM 772 C GLY A 47 -0.486 -1.024 3.533 1.00 0.00 C ATOM 773 O GLY A 47 0.435 -1.280 2.758 1.00 0.00 O ATOM 0 H GLY A 47 -3.342 -1.594 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.659 -2.722 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.493 -1.189 2.812 1.00 0.00 H new ATOM 777 N VAL A 48 -0.391 -0.133 4.514 1.00 0.00 N ATOM 778 CA VAL A 48 0.835 0.598 4.762 1.00 0.00 C ATOM 779 C VAL A 48 1.889 -0.347 5.325 1.00 0.00 C ATOM 780 O VAL A 48 3.053 -0.272 4.962 1.00 0.00 O ATOM 781 CB VAL A 48 0.618 1.782 5.733 1.00 0.00 C ATOM 782 CG1 VAL A 48 1.950 2.354 6.196 1.00 0.00 C ATOM 783 CG2 VAL A 48 -0.225 2.864 5.075 1.00 0.00 C ATOM 0 H VAL A 48 -1.155 0.097 5.150 1.00 0.00 H new ATOM 0 HA VAL A 48 1.174 1.011 3.812 1.00 0.00 H new ATOM 0 HB VAL A 48 0.084 1.410 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.772 3.185 6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.520 1.579 6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.514 2.707 5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.367 3.689 5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.283 3.228 4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.195 2.451 4.798 1.00 0.00 H new ATOM 793 N GLU A 49 1.484 -1.227 6.227 1.00 0.00 N ATOM 794 CA GLU A 49 2.424 -2.185 6.787 1.00 0.00 C ATOM 795 C GLU A 49 2.984 -3.065 5.673 1.00 0.00 C ATOM 796 O GLU A 49 4.154 -3.449 5.691 1.00 0.00 O ATOM 797 CB GLU A 49 1.748 -3.041 7.860 1.00 0.00 C ATOM 798 CG GLU A 49 2.389 -2.915 9.232 1.00 0.00 C ATOM 799 CD GLU A 49 1.648 -3.701 10.296 1.00 0.00 C ATOM 800 OE1 GLU A 49 1.528 -4.935 10.145 1.00 0.00 O ATOM 801 OE2 GLU A 49 1.189 -3.083 11.279 1.00 0.00 O ATOM 0 H GLU A 49 0.530 -1.298 6.582 1.00 0.00 H new ATOM 0 HA GLU A 49 3.244 -1.642 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.698 -2.757 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.775 -4.086 7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.421 -3.263 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.422 -1.864 9.519 1.00 0.00 H new ATOM 808 N VAL A 50 2.144 -3.350 4.687 1.00 0.00 N ATOM 809 CA VAL A 50 2.583 -4.080 3.501 1.00 0.00 C ATOM 810 C VAL A 50 3.404 -3.112 2.649 1.00 0.00 C ATOM 811 O VAL A 50 4.487 -3.441 2.174 1.00 0.00 O ATOM 812 CB VAL A 50 1.393 -4.684 2.685 1.00 0.00 C ATOM 813 CG1 VAL A 50 1.712 -6.102 2.236 1.00 0.00 C ATOM 814 CG2 VAL A 50 0.100 -4.688 3.485 1.00 0.00 C ATOM 0 H VAL A 50 1.158 -3.089 4.683 1.00 0.00 H new ATOM 0 HA VAL A 50 3.184 -4.936 3.807 1.00 0.00 H new ATOM 0 HB VAL A 50 1.254 -4.047 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.871 -6.502 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.601 -6.093 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.893 -6.728 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.700 -5.116 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.232 -5.285 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.160 -3.666 3.761 1.00 0.00 H new ATOM 824 N ASN A 51 2.955 -1.861 2.612 1.00 0.00 N ATOM 825 CA ASN A 51 3.709 -0.785 1.976 1.00 0.00 C ATOM 826 C ASN A 51 5.084 -0.689 2.609 1.00 0.00 C ATOM 827 O ASN A 51 6.049 -0.280 1.972 1.00 0.00 O ATOM 828 CB ASN A 51 2.970 0.542 2.141 1.00 0.00 C ATOM 829 CG ASN A 51 3.522 1.631 1.255 1.00 0.00 C ATOM 830 OD1 ASN A 51 4.087 1.355 0.199 1.00 0.00 O ATOM 831 ND2 ASN A 51 3.359 2.877 1.689 1.00 0.00 N ATOM 0 H ASN A 51 2.067 -1.566 3.018 1.00 0.00 H new ATOM 0 HA ASN A 51 3.813 -1.000 0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.914 0.395 1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.031 0.860 3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.711 3.659 1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.882 3.051 2.574 1.00 0.00 H new ATOM 838 N LYS A 52 5.150 -1.009 3.893 1.00 0.00 N ATOM 839 CA LYS A 52 6.402 -0.977 4.618 1.00 0.00 C ATOM 840 C LYS A 52 7.334 -2.062 4.099 1.00 0.00 C ATOM 841 O LYS A 52 8.532 -1.842 3.937 1.00 0.00 O ATOM 842 CB LYS A 52 6.162 -1.175 6.118 1.00 0.00 C ATOM 843 CG LYS A 52 6.190 0.119 6.913 1.00 0.00 C ATOM 844 CD LYS A 52 5.636 -0.077 8.314 1.00 0.00 C ATOM 845 CE LYS A 52 4.532 0.921 8.623 1.00 0.00 C ATOM 846 NZ LYS A 52 4.703 1.540 9.966 1.00 0.00 N ATOM 0 H LYS A 52 4.346 -1.294 4.452 1.00 0.00 H new ATOM 0 HA LYS A 52 6.864 -0.002 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.196 -1.660 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.920 -1.851 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.214 0.488 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.607 0.879 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.249 -1.091 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.440 0.031 9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.525 1.701 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.565 0.420 8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.930 2.214 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.685 0.798 10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.614 2.040 10.004 1.00 0.00 H new ATOM 860 N PHE A 53 6.760 -3.238 3.828 1.00 0.00 N ATOM 861 CA PHE A 53 7.528 -4.413 3.396 1.00 0.00 C ATOM 862 C PHE A 53 8.883 -4.468 4.101 1.00 0.00 C ATOM 863 O PHE A 53 9.913 -4.119 3.525 1.00 0.00 O ATOM 864 CB PHE A 53 7.718 -4.465 1.873 1.00 0.00 C ATOM 865 CG PHE A 53 8.268 -3.212 1.263 1.00 0.00 C ATOM 866 CD1 PHE A 53 7.416 -2.223 0.812 1.00 0.00 C ATOM 867 CD2 PHE A 53 9.631 -3.056 1.077 1.00 0.00 C ATOM 868 CE1 PHE A 53 7.912 -1.072 0.235 1.00 0.00 C ATOM 869 CE2 PHE A 53 10.134 -1.912 0.492 1.00 0.00 C ATOM 870 CZ PHE A 53 9.279 -0.922 0.075 1.00 0.00 C ATOM 0 H PHE A 53 5.756 -3.404 3.901 1.00 0.00 H new ATOM 0 HA PHE A 53 6.944 -5.288 3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.386 -5.292 1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.757 -4.686 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.348 -2.352 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.307 -3.837 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.238 -0.293 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.200 -1.795 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.673 -0.025 -0.379 1.00 0.00 H new ATOM 880 N LYS A 54 8.860 -4.864 5.365 1.00 0.00 N ATOM 881 CA LYS A 54 10.063 -4.885 6.180 1.00 0.00 C ATOM 882 C LYS A 54 10.836 -6.211 6.026 1.00 0.00 C ATOM 883 O LYS A 54 11.149 -6.609 4.904 1.00 0.00 O ATOM 884 CB LYS A 54 9.681 -4.595 7.634 1.00 0.00 C ATOM 885 CG LYS A 54 10.857 -4.168 8.501 1.00 0.00 C ATOM 886 CD LYS A 54 11.126 -2.672 8.387 1.00 0.00 C ATOM 887 CE LYS A 54 11.909 -2.334 7.130 1.00 0.00 C ATOM 888 NZ LYS A 54 12.964 -3.343 6.837 1.00 0.00 N ATOM 0 H LYS A 54 8.018 -5.176 5.849 1.00 0.00 H new ATOM 0 HA LYS A 54 10.746 -4.108 5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.924 -3.811 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.227 -5.487 8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.654 -4.423 9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.748 -4.722 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.179 -2.132 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.681 -2.335 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.225 -2.270 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.369 -1.352 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.658 -2.938 6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.443 -3.611 7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.529 -4.186 6.409 1.00 0.00 H new ATOM 902 N LYS A 55 11.189 -6.870 7.138 1.00 0.00 N ATOM 903 CA LYS A 55 11.974 -8.100 7.078 1.00 0.00 C ATOM 904 C LYS A 55 11.192 -9.240 6.430 1.00 0.00 C ATOM 905 O LYS A 55 11.318 -9.483 5.230 1.00 0.00 O ATOM 906 CB LYS A 55 12.429 -8.498 8.484 1.00 0.00 C ATOM 907 CG LYS A 55 13.387 -7.499 9.113 1.00 0.00 C ATOM 908 CD LYS A 55 14.675 -7.383 8.313 1.00 0.00 C ATOM 909 CE LYS A 55 14.664 -6.157 7.413 1.00 0.00 C ATOM 910 NZ LYS A 55 15.638 -5.126 7.867 1.00 0.00 N ATOM 0 H LYS A 55 10.943 -6.571 8.082 1.00 0.00 H new ATOM 0 HA LYS A 55 12.848 -7.909 6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.554 -8.604 9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.911 -9.474 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.907 -6.522 9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.617 -7.807 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.524 -7.328 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.810 -8.279 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.900 -6.455 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.662 -5.728 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.600 -4.307 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.398 -4.823 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.597 -5.527 7.858 1.00 0.00 H new ATOM 924 N SER A 56 10.393 -9.945 7.227 1.00 0.00 N ATOM 925 CA SER A 56 9.604 -11.056 6.712 1.00 0.00 C ATOM 926 C SER A 56 8.666 -10.578 5.617 1.00 0.00 C ATOM 927 O SER A 56 8.263 -11.353 4.749 1.00 0.00 O ATOM 928 CB SER A 56 8.799 -11.709 7.833 1.00 0.00 C ATOM 929 OG SER A 56 9.121 -11.147 9.093 1.00 0.00 O ATOM 0 H SER A 56 10.276 -9.767 8.225 1.00 0.00 H new ATOM 0 HA SER A 56 10.289 -11.794 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.734 -11.585 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.997 -12.781 7.849 1.00 0.00 H new ATOM 0 HG SER A 56 8.589 -11.583 9.791 1.00 0.00 H new ATOM 935 N THR A 57 8.313 -9.300 5.664 1.00 0.00 N ATOM 936 CA THR A 57 7.485 -8.716 4.632 1.00 0.00 C ATOM 937 C THR A 57 8.389 -8.176 3.545 1.00 0.00 C ATOM 938 O THR A 57 8.487 -6.972 3.324 1.00 0.00 O ATOM 939 CB THR A 57 6.606 -7.609 5.215 1.00 0.00 C ATOM 940 OG1 THR A 57 7.221 -7.024 6.350 1.00 0.00 O ATOM 941 CG2 THR A 57 5.237 -8.090 5.627 1.00 0.00 C ATOM 0 H THR A 57 8.589 -8.655 6.405 1.00 0.00 H new ATOM 0 HA THR A 57 6.821 -9.471 4.212 1.00 0.00 H new ATOM 0 HB THR A 57 6.489 -6.880 4.413 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.644 -6.317 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.665 -7.255 6.032 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.718 -8.498 4.760 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.337 -8.864 6.388 1.00 0.00 H new ATOM 949 N ASN A 58 9.058 -9.101 2.885 1.00 0.00 N ATOM 950 CA ASN A 58 10.010 -8.780 1.846 1.00 0.00 C ATOM 951 C ASN A 58 9.333 -8.115 0.659 1.00 0.00 C ATOM 952 O ASN A 58 8.119 -8.179 0.515 1.00 0.00 O ATOM 953 CB ASN A 58 10.735 -10.039 1.396 1.00 0.00 C ATOM 954 CG ASN A 58 12.119 -10.163 2.004 1.00 0.00 C ATOM 955 OD1 ASN A 58 13.092 -9.625 1.476 1.00 0.00 O ATOM 956 ND2 ASN A 58 12.213 -10.873 3.122 1.00 0.00 N ATOM 0 H ASN A 58 8.954 -10.101 3.057 1.00 0.00 H new ATOM 0 HA ASN A 58 10.732 -8.075 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.143 -10.912 1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.818 -10.037 0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.118 -10.990 3.578 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.380 -11.302 3.525 1.00 0.00 H new ATOM 963 N VAL A 59 10.127 -7.426 -0.153 1.00 0.00 N ATOM 964 CA VAL A 59 9.623 -6.705 -1.317 1.00 0.00 C ATOM 965 C VAL A 59 8.516 -7.460 -2.046 1.00 0.00 C ATOM 966 O VAL A 59 7.618 -6.843 -2.621 1.00 0.00 O ATOM 967 CB VAL A 59 10.763 -6.399 -2.306 1.00 0.00 C ATOM 968 CG1 VAL A 59 11.251 -7.671 -2.985 1.00 0.00 C ATOM 969 CG2 VAL A 59 10.314 -5.372 -3.335 1.00 0.00 C ATOM 0 H VAL A 59 11.136 -7.351 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 59 9.199 -5.775 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 59 11.598 -5.979 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.056 -7.427 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.619 -8.367 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.428 -8.130 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.132 -5.168 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.460 -5.761 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.028 -4.450 -2.828 1.00 0.00 H new ATOM 979 N GLU A 60 8.548 -8.791 -1.993 1.00 0.00 N ATOM 980 CA GLU A 60 7.482 -9.589 -2.611 1.00 0.00 C ATOM 981 C GLU A 60 6.129 -9.063 -2.143 1.00 0.00 C ATOM 982 O GLU A 60 5.134 -9.114 -2.866 1.00 0.00 O ATOM 983 CB GLU A 60 7.612 -11.075 -2.253 1.00 0.00 C ATOM 984 CG GLU A 60 8.232 -11.337 -0.900 1.00 0.00 C ATOM 985 CD GLU A 60 9.703 -11.692 -0.993 1.00 0.00 C ATOM 986 OE1 GLU A 60 10.456 -10.936 -1.642 1.00 0.00 O ATOM 987 OE2 GLU A 60 10.103 -12.726 -0.415 1.00 0.00 O ATOM 0 H GLU A 60 9.283 -9.334 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 60 7.568 -9.499 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.622 -11.531 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.212 -11.569 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.114 -10.453 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.696 -12.150 -0.410 1.00 0.00 H new ATOM 994 N ILE A 61 6.146 -8.478 -0.952 1.00 0.00 N ATOM 995 CA ILE A 61 4.985 -7.848 -0.366 1.00 0.00 C ATOM 996 C ILE A 61 4.350 -6.878 -1.368 1.00 0.00 C ATOM 997 O ILE A 61 3.135 -6.722 -1.403 1.00 0.00 O ATOM 998 CB ILE A 61 5.405 -7.113 0.942 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.323 -8.045 2.161 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.565 -5.872 1.203 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.524 -9.520 1.867 1.00 0.00 C ATOM 0 H ILE A 61 6.979 -8.431 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 61 4.240 -8.604 -0.117 1.00 0.00 H new ATOM 0 HB ILE A 61 6.439 -6.803 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.072 -7.731 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.348 -7.915 2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.897 -5.396 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.679 -5.174 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.517 -6.155 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.447 -10.089 2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.760 -9.859 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.510 -9.672 1.428 1.00 0.00 H new ATOM 1013 N SER A 62 5.180 -6.216 -2.171 1.00 0.00 N ATOM 1014 CA SER A 62 4.670 -5.250 -3.143 1.00 0.00 C ATOM 1015 C SER A 62 3.555 -5.870 -3.970 1.00 0.00 C ATOM 1016 O SER A 62 2.441 -5.347 -4.026 1.00 0.00 O ATOM 1017 CB SER A 62 5.796 -4.761 -4.055 1.00 0.00 C ATOM 1018 OG SER A 62 5.824 -3.346 -4.116 1.00 0.00 O ATOM 0 H SER A 62 6.194 -6.327 -2.170 1.00 0.00 H new ATOM 0 HA SER A 62 4.268 -4.395 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.753 -5.131 -3.687 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.660 -5.169 -5.057 1.00 0.00 H new ATOM 0 HG SER A 62 4.983 -2.987 -3.763 1.00 0.00 H new ATOM 1024 N LYS A 63 3.825 -7.027 -4.545 1.00 0.00 N ATOM 1025 CA LYS A 63 2.811 -7.743 -5.272 1.00 0.00 C ATOM 1026 C LYS A 63 1.746 -8.235 -4.303 1.00 0.00 C ATOM 1027 O LYS A 63 0.571 -8.348 -4.653 1.00 0.00 O ATOM 1028 CB LYS A 63 3.442 -8.908 -6.013 1.00 0.00 C ATOM 1029 CG LYS A 63 3.104 -8.932 -7.488 1.00 0.00 C ATOM 1030 CD LYS A 63 3.995 -9.908 -8.231 1.00 0.00 C ATOM 1031 CE LYS A 63 3.294 -10.494 -9.445 1.00 0.00 C ATOM 1032 NZ LYS A 63 2.847 -9.437 -10.393 1.00 0.00 N ATOM 0 H LYS A 63 4.736 -7.484 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 63 2.342 -7.082 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.525 -8.861 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.113 -9.841 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.059 -9.213 -7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.222 -7.933 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.907 -9.401 -8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.294 -10.713 -7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.969 -11.180 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.433 -11.078 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.529 -9.878 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.062 -8.902 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.638 -8.792 -10.592 1.00 0.00 H new ATOM 1046 N LEU A 64 2.171 -8.502 -3.070 1.00 0.00 N ATOM 1047 CA LEU A 64 1.260 -8.935 -2.027 1.00 0.00 C ATOM 1048 C LEU A 64 0.212 -7.863 -1.766 1.00 0.00 C ATOM 1049 O LEU A 64 -0.979 -8.163 -1.672 1.00 0.00 O ATOM 1050 CB LEU A 64 2.026 -9.245 -0.744 1.00 0.00 C ATOM 1051 CG LEU A 64 1.294 -10.154 0.236 1.00 0.00 C ATOM 1052 CD1 LEU A 64 2.227 -11.235 0.755 1.00 0.00 C ATOM 1053 CD2 LEU A 64 0.721 -9.337 1.384 1.00 0.00 C ATOM 0 H LEU A 64 3.144 -8.424 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 64 0.759 -9.844 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.976 -9.710 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.259 -8.306 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 64 0.469 -10.639 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.689 -11.876 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.590 -11.834 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.072 -10.772 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.201 -9.998 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.530 -8.827 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.021 -8.599 0.992 1.00 0.00 H new ATOM 1065 N VAL A 65 0.650 -6.607 -1.662 1.00 0.00 N ATOM 1066 CA VAL A 65 -0.288 -5.512 -1.472 1.00 0.00 C ATOM 1067 C VAL A 65 -1.265 -5.500 -2.637 1.00 0.00 C ATOM 1068 O VAL A 65 -2.455 -5.245 -2.464 1.00 0.00 O ATOM 1069 CB VAL A 65 0.387 -4.133 -1.304 1.00 0.00 C ATOM 1070 CG1 VAL A 65 1.000 -3.620 -2.599 1.00 0.00 C ATOM 1071 CG2 VAL A 65 -0.619 -3.133 -0.767 1.00 0.00 C ATOM 0 H VAL A 65 1.631 -6.331 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.812 -5.688 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 65 1.205 -4.254 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.461 -2.648 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.757 -4.323 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.222 -3.521 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.139 -2.161 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.452 -3.045 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.990 -3.473 0.200 1.00 0.00 H new ATOM 1081 N LYS A 66 -0.764 -5.877 -3.812 1.00 0.00 N ATOM 1082 CA LYS A 66 -1.611 -6.002 -4.986 1.00 0.00 C ATOM 1083 C LYS A 66 -2.698 -7.033 -4.703 1.00 0.00 C ATOM 1084 O LYS A 66 -3.891 -6.771 -4.870 1.00 0.00 O ATOM 1085 CB LYS A 66 -0.787 -6.428 -6.200 1.00 0.00 C ATOM 1086 CG LYS A 66 -1.236 -5.797 -7.500 1.00 0.00 C ATOM 1087 CD LYS A 66 -0.087 -5.749 -8.485 1.00 0.00 C ATOM 1088 CE LYS A 66 0.729 -4.479 -8.327 1.00 0.00 C ATOM 1089 NZ LYS A 66 1.109 -3.894 -9.643 1.00 0.00 N ATOM 0 H LYS A 66 0.219 -6.099 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.066 -5.036 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.258 -6.172 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.837 -7.512 -6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.063 -6.368 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.607 -4.789 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.556 -6.617 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.475 -5.809 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.156 -3.748 -7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.630 -4.696 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.665 -3.028 -9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.678 -4.581 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.250 -3.663 -10.181 1.00 0.00 H new ATOM 1103 N LYS A 67 -2.278 -8.194 -4.216 1.00 0.00 N ATOM 1104 CA LYS A 67 -3.217 -9.229 -3.818 1.00 0.00 C ATOM 1105 C LYS A 67 -4.132 -8.667 -2.742 1.00 0.00 C ATOM 1106 O LYS A 67 -5.328 -8.966 -2.693 1.00 0.00 O ATOM 1107 CB LYS A 67 -2.474 -10.459 -3.293 1.00 0.00 C ATOM 1108 CG LYS A 67 -2.126 -11.468 -4.376 1.00 0.00 C ATOM 1109 CD LYS A 67 -3.374 -12.030 -5.037 1.00 0.00 C ATOM 1110 CE LYS A 67 -3.076 -13.320 -5.784 1.00 0.00 C ATOM 1111 NZ LYS A 67 -3.543 -14.518 -5.034 1.00 0.00 N ATOM 0 H LYS A 67 -1.296 -8.440 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.806 -9.538 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.557 -10.136 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.087 -10.948 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.497 -10.993 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.545 -12.282 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.136 -12.214 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.783 -11.294 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.558 -13.293 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.003 -13.398 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.321 -15.376 -5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.064 -14.559 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.571 -14.457 -4.888 1.00 0.00 H new ATOM 1125 N MET A 68 -3.557 -7.804 -1.910 1.00 0.00 N ATOM 1126 CA MET A 68 -4.306 -7.122 -0.871 1.00 0.00 C ATOM 1127 C MET A 68 -5.410 -6.288 -1.506 1.00 0.00 C ATOM 1128 O MET A 68 -6.493 -6.152 -0.946 1.00 0.00 O ATOM 1129 CB MET A 68 -3.365 -6.236 -0.046 1.00 0.00 C ATOM 1130 CG MET A 68 -3.730 -6.117 1.424 1.00 0.00 C ATOM 1131 SD MET A 68 -3.116 -7.500 2.405 1.00 0.00 S ATOM 1132 CE MET A 68 -4.133 -7.354 3.871 1.00 0.00 C ATOM 0 H MET A 68 -2.567 -7.562 -1.940 1.00 0.00 H new ATOM 0 HA MET A 68 -4.759 -7.856 -0.205 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.353 -6.633 -0.124 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.350 -5.238 -0.484 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.325 -5.186 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.814 -6.060 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.871 -8.143 4.576 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.965 -6.382 4.335 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.184 -7.448 3.596 1.00 0.00 H new ATOM 1142 N ILE A 69 -5.141 -5.772 -2.708 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.135 -5.003 -3.448 1.00 0.00 C ATOM 1144 C ILE A 69 -7.357 -5.855 -3.725 1.00 0.00 C ATOM 1145 O ILE A 69 -8.490 -5.440 -3.479 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.592 -4.486 -4.796 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -4.303 -3.686 -4.599 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -6.644 -3.639 -5.494 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -3.698 -3.197 -5.899 1.00 0.00 C ATOM 0 H ILE A 69 -4.245 -5.874 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.393 -4.147 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.359 -5.346 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.509 -2.829 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.574 -4.307 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.250 -3.279 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.534 -4.241 -5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.903 -2.788 -4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.787 -2.637 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.461 -4.051 -6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.411 -2.551 -6.411 1.00 0.00 H new ATOM 1161 N SER A 70 -7.119 -7.059 -4.227 1.00 0.00 N ATOM 1162 CA SER A 70 -8.206 -7.975 -4.534 1.00 0.00 C ATOM 1163 C SER A 70 -9.128 -8.134 -3.327 1.00 0.00 C ATOM 1164 O SER A 70 -10.347 -8.012 -3.445 1.00 0.00 O ATOM 1165 CB SER A 70 -7.655 -9.338 -4.954 1.00 0.00 C ATOM 1166 OG SER A 70 -6.776 -9.214 -6.059 1.00 0.00 O ATOM 0 H SER A 70 -6.187 -7.422 -4.429 1.00 0.00 H new ATOM 0 HA SER A 70 -8.780 -7.559 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.129 -9.795 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.479 -10.003 -5.213 1.00 0.00 H new ATOM 0 HG SER A 70 -6.436 -10.099 -6.307 1.00 0.00 H new ATOM 1172 N SER A 71 -8.537 -8.404 -2.167 1.00 0.00 N ATOM 1173 CA SER A 71 -9.308 -8.566 -0.938 1.00 0.00 C ATOM 1174 C SER A 71 -9.734 -7.217 -0.361 1.00 0.00 C ATOM 1175 O SER A 71 -10.714 -7.133 0.378 1.00 0.00 O ATOM 1176 CB SER A 71 -8.495 -9.342 0.100 1.00 0.00 C ATOM 1177 OG SER A 71 -9.254 -9.574 1.274 1.00 0.00 O ATOM 0 H SER A 71 -7.530 -8.515 -2.052 1.00 0.00 H new ATOM 0 HA SER A 71 -10.209 -9.128 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.174 -10.294 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.593 -8.784 0.351 1.00 0.00 H new ATOM 0 HG SER A 71 -8.712 -10.073 1.921 1.00 0.00 H new ATOM 1183 N TRP A 72 -8.985 -6.165 -0.686 1.00 0.00 N ATOM 1184 CA TRP A 72 -9.281 -4.831 -0.172 1.00 0.00 C ATOM 1185 C TRP A 72 -10.716 -4.439 -0.477 1.00 0.00 C ATOM 1186 O TRP A 72 -11.479 -4.075 0.419 1.00 0.00 O ATOM 1187 CB TRP A 72 -8.334 -3.799 -0.788 1.00 0.00 C ATOM 1188 CG TRP A 72 -7.022 -3.691 -0.081 1.00 0.00 C ATOM 1189 CD1 TRP A 72 -6.708 -4.218 1.135 1.00 0.00 C ATOM 1190 CD2 TRP A 72 -5.849 -3.012 -0.541 1.00 0.00 C ATOM 1191 NE1 TRP A 72 -5.414 -3.903 1.466 1.00 0.00 N ATOM 1192 CE2 TRP A 72 -4.862 -3.167 0.451 1.00 0.00 C ATOM 1193 CE3 TRP A 72 -5.539 -2.275 -1.690 1.00 0.00 C ATOM 1194 CZ2 TRP A 72 -3.589 -2.619 0.326 1.00 0.00 C ATOM 1195 CZ3 TRP A 72 -4.271 -1.743 -1.815 1.00 0.00 C ATOM 1196 CH2 TRP A 72 -3.313 -1.912 -0.812 1.00 0.00 C ATOM 0 H TRP A 72 -8.172 -6.211 -1.300 1.00 0.00 H new ATOM 0 HA TRP A 72 -9.141 -4.852 0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.154 -4.061 -1.831 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.821 -2.824 -0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -7.380 -4.799 1.749 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.940 -4.173 2.328 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -6.277 -2.125 -2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.846 -2.747 1.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.015 -1.186 -2.704 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.333 -1.475 -0.938 1.00 0.00 H new ATOM 1207 N LYS A 73 -11.081 -4.531 -1.746 1.00 0.00 N ATOM 1208 CA LYS A 73 -12.428 -4.209 -2.179 1.00 0.00 C ATOM 1209 C LYS A 73 -13.389 -5.322 -1.786 1.00 0.00 C ATOM 1210 O LYS A 73 -14.558 -5.075 -1.490 1.00 0.00 O ATOM 1211 CB LYS A 73 -12.448 -3.977 -3.688 1.00 0.00 C ATOM 1212 CG LYS A 73 -11.523 -2.854 -4.129 1.00 0.00 C ATOM 1213 CD LYS A 73 -11.651 -2.577 -5.618 1.00 0.00 C ATOM 1214 CE LYS A 73 -11.256 -3.789 -6.444 1.00 0.00 C ATOM 1215 NZ LYS A 73 -11.278 -3.498 -7.904 1.00 0.00 N ATOM 0 H LYS A 73 -10.458 -4.828 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.753 -3.293 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.160 -4.898 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.466 -3.746 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.756 -1.949 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.492 -3.118 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.678 -2.296 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.020 -1.730 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.257 -4.116 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.936 -4.613 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.779 -4.261 -8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.768 -2.596 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.303 -3.434 -8.260 1.00 0.00 H new