USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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 1 MET N :NH3+ -131:sc= 0.75 (180deg=-0.1) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -121:sc= 0.259 (180deg=-0.00407) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= -3.68! USER MOD Set 2.2: A 57 THR OG1 : rot -90:sc= 0.207 USER MOD Set 2.3: A 64 SER OG : rot 94:sc= -0.509! USER MOD Single : A 1 MET CE :methyl -127:sc= -0.657 (180deg=-5!) USER MOD Single : A 4 LYS NZ :NH3+ 129:sc= -1.24 (180deg=-2.58!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.68 K(o=-2.7,f=-13!) USER MOD Single : A 15 ASN : amide:sc= -2.34 K(o=-2.3,f=-4.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.21 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.94 K(o=-1.9,f=-7.1!) USER MOD Single : A 37 ASN : amide:sc= -0.0211 X(o=-0.021,f=-0.13) USER MOD Single : A 42 MET CE :methyl 154:sc= -0.495 (180deg=-0.52) USER MOD Single : A 44 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.049) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.105) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 157:sc= -1.46 (180deg=-2.59!) USER MOD Single : A 62 GLN : amide:sc= -0.709 K(o=-0.71,f=-0.18) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= -0.0232 (180deg=-0.252) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -123:sc= -2.01 (180deg=-4.08!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.65 K(o=-0.65,f=-2.7!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.97 K(o=-0.97,f=-1.7) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.398 -10.883 8.800 1.00 0.00 N ATOM 2 CA MET A 1 -10.946 -10.930 8.833 1.00 0.00 C ATOM 3 C MET A 1 -10.410 -10.377 10.155 1.00 0.00 C ATOM 4 O MET A 1 -11.180 -9.927 11.002 1.00 0.00 O ATOM 5 CB MET A 1 -10.383 -10.110 7.671 1.00 0.00 C ATOM 6 CG MET A 1 -10.749 -8.631 7.814 1.00 0.00 C ATOM 7 SD MET A 1 -12.190 -8.260 6.828 1.00 0.00 S ATOM 8 CE MET A 1 -12.096 -6.478 6.800 1.00 0.00 C ATOM 0 H1 MET A 1 -12.768 -11.807 8.498 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.760 -10.659 9.749 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.706 -10.150 8.130 1.00 0.00 H new ATOM 0 HA MET A 1 -10.632 -11.970 8.742 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.299 -10.218 7.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.772 -10.495 6.728 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.944 -8.396 8.860 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.912 -8.009 7.498 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.046 -6.058 7.130 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.301 -6.145 7.467 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.883 -6.141 5.786 1.00 0.00 H new ATOM 18 N ASP A 2 -9.093 -10.429 10.290 1.00 0.00 N ATOM 19 CA ASP A 2 -8.444 -9.939 11.495 1.00 0.00 C ATOM 20 C ASP A 2 -7.384 -8.905 11.113 1.00 0.00 C ATOM 21 O ASP A 2 -6.568 -9.145 10.224 1.00 0.00 O ATOM 22 CB ASP A 2 -7.747 -11.076 12.246 1.00 0.00 C ATOM 23 CG ASP A 2 -8.280 -11.341 13.656 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.444 -11.787 13.748 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.511 -11.092 14.609 1.00 0.00 O ATOM 0 H ASP A 2 -8.458 -10.803 9.585 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.209 -9.499 12.135 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.842 -11.990 11.660 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.683 -10.849 12.313 1.00 0.00 H new ATOM 30 N ILE A 3 -7.429 -7.775 11.804 1.00 0.00 N ATOM 31 CA ILE A 3 -6.482 -6.703 11.549 1.00 0.00 C ATOM 32 C ILE A 3 -5.583 -6.520 12.773 1.00 0.00 C ATOM 33 O ILE A 3 -6.009 -6.757 13.902 1.00 0.00 O ATOM 34 CB ILE A 3 -7.217 -5.428 11.129 1.00 0.00 C ATOM 35 CG1 ILE A 3 -7.812 -5.574 9.727 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.301 -4.207 11.239 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.449 -4.263 9.263 1.00 0.00 C ATOM 0 H ILE A 3 -8.107 -7.579 12.540 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.832 -6.959 10.712 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.048 -5.271 11.816 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.032 -5.872 9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.560 -6.366 9.726 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.847 -3.314 10.935 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.967 -4.094 12.270 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.436 -4.342 10.590 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.864 -4.394 8.264 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.245 -3.981 9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.693 -3.479 9.242 1.00 0.00 H new ATOM 49 N LYS A 4 -4.355 -6.100 12.508 1.00 0.00 N ATOM 50 CA LYS A 4 -3.391 -5.883 13.574 1.00 0.00 C ATOM 51 C LYS A 4 -2.624 -4.587 13.305 1.00 0.00 C ATOM 52 O LYS A 4 -1.902 -4.483 12.315 1.00 0.00 O ATOM 53 CB LYS A 4 -2.490 -7.108 13.740 1.00 0.00 C ATOM 54 CG LYS A 4 -1.620 -7.320 12.500 1.00 0.00 C ATOM 55 CD LYS A 4 -1.076 -8.750 12.450 1.00 0.00 C ATOM 56 CE LYS A 4 0.443 -8.765 12.634 1.00 0.00 C ATOM 57 NZ LYS A 4 1.105 -9.322 11.433 1.00 0.00 N ATOM 0 H LYS A 4 -4.005 -5.904 11.570 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.901 -5.760 14.530 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.855 -6.981 14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.102 -7.993 13.915 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.204 -7.118 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.791 -6.612 12.507 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.546 -9.349 13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.335 -9.208 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.803 -7.753 12.818 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.703 -9.360 13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.854 -8.673 11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.522 -10.246 11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.405 -9.438 10.673 1.00 0.00 H new ATOM 71 N ILE A 5 -2.806 -3.631 14.205 1.00 0.00 N ATOM 72 CA ILE A 5 -2.140 -2.346 14.078 1.00 0.00 C ATOM 73 C ILE A 5 -0.638 -2.531 14.305 1.00 0.00 C ATOM 74 O ILE A 5 -0.210 -2.854 15.412 1.00 0.00 O ATOM 75 CB ILE A 5 -2.781 -1.316 15.009 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.250 -1.088 14.647 1.00 0.00 C ATOM 77 CG2 ILE A 5 -1.983 -0.010 15.014 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.144 -1.207 15.883 1.00 0.00 C ATOM 0 H ILE A 5 -3.405 -3.721 15.025 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.264 -1.950 13.070 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.757 -1.712 16.024 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.369 -0.101 14.201 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.561 -1.816 13.898 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.460 0.705 15.684 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.967 -0.206 15.356 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.953 0.402 14.005 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.183 -1.041 15.598 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.041 -2.204 16.312 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.846 -0.462 16.621 1.00 0.00 H new ATOM 90 N ILE A 6 0.120 -2.318 13.239 1.00 0.00 N ATOM 91 CA ILE A 6 1.564 -2.457 13.309 1.00 0.00 C ATOM 92 C ILE A 6 2.154 -1.248 14.039 1.00 0.00 C ATOM 93 O ILE A 6 2.674 -1.380 15.146 1.00 0.00 O ATOM 94 CB ILE A 6 2.149 -2.677 11.912 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.682 -4.010 11.326 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.675 -2.563 11.933 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.626 -5.146 11.725 1.00 0.00 C ATOM 0 H ILE A 6 -0.239 -2.050 12.323 1.00 0.00 H new ATOM 0 HA ILE A 6 1.834 -3.341 13.886 1.00 0.00 H new ATOM 0 HB ILE A 6 1.776 -1.889 11.257 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.673 -4.231 11.675 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.634 -3.937 10.240 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.066 -2.723 10.928 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.961 -1.570 12.279 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.087 -3.315 12.607 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.271 -6.082 11.295 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.628 -4.934 11.353 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.652 -5.233 12.811 1.00 0.00 H new ATOM 109 N LYS A 7 2.052 -0.097 13.390 1.00 0.00 N ATOM 110 CA LYS A 7 2.569 1.133 13.964 1.00 0.00 C ATOM 111 C LYS A 7 1.701 2.308 13.507 1.00 0.00 C ATOM 112 O LYS A 7 0.979 2.202 12.517 1.00 0.00 O ATOM 113 CB LYS A 7 4.053 1.299 13.630 1.00 0.00 C ATOM 114 CG LYS A 7 4.933 0.787 14.772 1.00 0.00 C ATOM 115 CD LYS A 7 6.257 0.235 14.240 1.00 0.00 C ATOM 116 CE LYS A 7 6.166 -1.273 14.002 1.00 0.00 C ATOM 117 NZ LYS A 7 7.304 -1.968 14.642 1.00 0.00 N ATOM 0 H LYS A 7 1.619 0.009 12.473 1.00 0.00 H new ATOM 0 HA LYS A 7 2.513 1.098 15.052 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.286 0.755 12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.271 2.350 13.441 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.129 1.596 15.476 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.405 0.008 15.321 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.517 0.739 13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.055 0.447 14.951 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.227 -1.654 14.403 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.162 -1.479 12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.227 -2.991 14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.196 -1.616 14.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.290 -1.786 15.666 1.00 0.00 H new ATOM 131 N ASP A 8 1.801 3.400 14.250 1.00 0.00 N ATOM 132 CA ASP A 8 1.034 4.593 13.933 1.00 0.00 C ATOM 133 C ASP A 8 1.967 5.806 13.922 1.00 0.00 C ATOM 134 O ASP A 8 2.444 6.236 14.971 1.00 0.00 O ATOM 135 CB ASP A 8 -0.054 4.843 14.980 1.00 0.00 C ATOM 136 CG ASP A 8 -0.523 6.295 15.092 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.723 6.910 14.022 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.670 6.756 16.244 1.00 0.00 O ATOM 0 H ASP A 8 2.401 3.484 15.070 1.00 0.00 H new ATOM 0 HA ASP A 8 0.569 4.446 12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.914 4.216 14.745 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.318 4.521 15.953 1.00 0.00 H new ATOM 143 N LYS A 9 2.199 6.323 12.724 1.00 0.00 N ATOM 144 CA LYS A 9 3.066 7.477 12.563 1.00 0.00 C ATOM 145 C LYS A 9 2.211 8.744 12.483 1.00 0.00 C ATOM 146 O LYS A 9 1.107 8.719 11.941 1.00 0.00 O ATOM 147 CB LYS A 9 3.995 7.286 11.363 1.00 0.00 C ATOM 148 CG LYS A 9 4.534 8.629 10.867 1.00 0.00 C ATOM 149 CD LYS A 9 5.942 8.475 10.289 1.00 0.00 C ATOM 150 CE LYS A 9 5.962 8.810 8.796 1.00 0.00 C ATOM 151 NZ LYS A 9 6.374 10.216 8.586 1.00 0.00 N ATOM 0 H LYS A 9 1.801 5.964 11.856 1.00 0.00 H new ATOM 0 HA LYS A 9 3.720 7.586 13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.826 6.637 11.641 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.456 6.787 10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.867 9.034 10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.551 9.344 11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.631 9.130 10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.292 7.454 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.649 8.142 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.973 8.647 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.382 10.427 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.703 10.850 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.327 10.361 8.977 1.00 0.00 H new ATOM 165 N LYS A 10 2.755 9.822 13.030 1.00 0.00 N ATOM 166 CA LYS A 10 2.056 11.096 13.028 1.00 0.00 C ATOM 167 C LYS A 10 2.656 11.999 11.948 1.00 0.00 C ATOM 168 O LYS A 10 3.872 12.034 11.768 1.00 0.00 O ATOM 169 CB LYS A 10 2.069 11.716 14.426 1.00 0.00 C ATOM 170 CG LYS A 10 0.860 12.633 14.630 1.00 0.00 C ATOM 171 CD LYS A 10 1.082 13.577 15.813 1.00 0.00 C ATOM 172 CE LYS A 10 -0.183 13.695 16.665 1.00 0.00 C ATOM 173 NZ LYS A 10 0.118 14.366 17.950 1.00 0.00 N ATOM 0 H LYS A 10 3.671 9.839 13.477 1.00 0.00 H new ATOM 0 HA LYS A 10 1.005 10.954 12.778 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.063 10.927 15.178 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.989 12.284 14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.683 13.214 13.725 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.032 12.031 14.803 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.905 13.210 16.426 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.372 14.562 15.447 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.942 14.258 16.123 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.595 12.704 16.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.751 14.438 18.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.827 13.813 18.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.490 15.319 17.765 1.00 0.00 H new ATOM 187 N ASN A 11 1.775 12.708 11.258 1.00 0.00 N ATOM 188 CA ASN A 11 2.202 13.609 10.201 1.00 0.00 C ATOM 189 C ASN A 11 1.359 14.885 10.253 1.00 0.00 C ATOM 190 O ASN A 11 0.387 15.021 9.513 1.00 0.00 O ATOM 191 CB ASN A 11 2.011 12.972 8.823 1.00 0.00 C ATOM 192 CG ASN A 11 2.452 13.926 7.712 1.00 0.00 C ATOM 193 OD1 ASN A 11 1.816 14.928 7.430 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.575 13.561 7.099 1.00 0.00 N ATOM 0 H ASN A 11 0.767 12.677 11.410 1.00 0.00 H new ATOM 0 HA ASN A 11 3.259 13.830 10.353 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.586 12.048 8.763 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.963 12.705 8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.953 14.133 6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.058 12.709 7.385 1.00 0.00 H new ATOM 201 N PRO A 12 1.774 15.811 11.159 1.00 0.00 N ATOM 202 CA PRO A 12 1.069 17.071 11.317 1.00 0.00 C ATOM 203 C PRO A 12 1.373 18.020 10.156 1.00 0.00 C ATOM 204 O PRO A 12 0.623 18.962 9.906 1.00 0.00 O ATOM 205 CB PRO A 12 1.526 17.612 12.662 1.00 0.00 C ATOM 206 CG PRO A 12 2.813 16.873 12.992 1.00 0.00 C ATOM 207 CD PRO A 12 2.922 15.683 12.053 1.00 0.00 C ATOM 0 HA PRO A 12 -0.014 16.951 11.298 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.695 18.688 12.614 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.770 17.442 13.429 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.673 17.532 12.874 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.807 16.541 14.030 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.860 15.701 11.498 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.894 14.742 12.602 1.00 0.00 H new ATOM 215 N LEU A 13 2.475 17.737 9.476 1.00 0.00 N ATOM 216 CA LEU A 13 2.888 18.554 8.347 1.00 0.00 C ATOM 217 C LEU A 13 1.806 18.506 7.267 1.00 0.00 C ATOM 218 O LEU A 13 1.198 19.526 6.946 1.00 0.00 O ATOM 219 CB LEU A 13 4.270 18.124 7.853 1.00 0.00 C ATOM 220 CG LEU A 13 5.378 18.087 8.908 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.672 17.515 8.324 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.591 19.469 9.528 1.00 0.00 C ATOM 0 H LEU A 13 3.094 16.954 9.685 1.00 0.00 H new ATOM 0 HA LEU A 13 2.993 19.596 8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.183 17.131 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.576 18.802 7.057 1.00 0.00 H new ATOM 0 HG LEU A 13 5.064 17.419 9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.443 17.500 9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.493 16.500 7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.002 18.137 7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.384 19.415 10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.874 20.177 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.668 19.801 10.003 1.00 0.00 H new ATOM 234 N LEU A 14 1.598 17.311 6.735 1.00 0.00 N ATOM 235 CA LEU A 14 0.600 17.117 5.696 1.00 0.00 C ATOM 236 C LEU A 14 -0.789 17.060 6.335 1.00 0.00 C ATOM 237 O LEU A 14 -1.800 17.103 5.635 1.00 0.00 O ATOM 238 CB LEU A 14 0.939 15.888 4.850 1.00 0.00 C ATOM 239 CG LEU A 14 2.404 15.743 4.435 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.707 14.312 3.984 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.775 16.771 3.365 1.00 0.00 C ATOM 0 H LEU A 14 2.103 16.467 7.004 1.00 0.00 H new ATOM 0 HA LEU A 14 0.600 17.960 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.650 14.997 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.327 15.912 3.948 1.00 0.00 H new ATOM 0 HG LEU A 14 3.027 15.945 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.755 14.236 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.506 13.622 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.076 14.058 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.822 16.646 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.147 16.624 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.621 17.776 3.757 1.00 0.00 H new ATOM 253 N ASN A 15 -0.795 16.964 7.656 1.00 0.00 N ATOM 254 CA ASN A 15 -2.043 16.901 8.397 1.00 0.00 C ATOM 255 C ASN A 15 -2.680 15.524 8.197 1.00 0.00 C ATOM 256 O ASN A 15 -3.903 15.403 8.147 1.00 0.00 O ATOM 257 CB ASN A 15 -3.033 17.956 7.899 1.00 0.00 C ATOM 258 CG ASN A 15 -3.466 18.881 9.038 1.00 0.00 C ATOM 259 OD1 ASN A 15 -3.249 20.082 9.014 1.00 0.00 O ATOM 260 ND2 ASN A 15 -4.090 18.258 10.034 1.00 0.00 N ATOM 0 H ASN A 15 0.045 16.928 8.233 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.821 17.083 9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.575 18.543 7.103 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.908 17.466 7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.419 18.788 10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.239 17.250 9.991 1.00 0.00 H new ATOM 267 N ARG A 16 -1.822 14.520 8.090 1.00 0.00 N ATOM 268 CA ARG A 16 -2.286 13.157 7.897 1.00 0.00 C ATOM 269 C ARG A 16 -1.681 12.235 8.958 1.00 0.00 C ATOM 270 O ARG A 16 -1.051 12.703 9.906 1.00 0.00 O ATOM 271 CB ARG A 16 -1.910 12.638 6.507 1.00 0.00 C ATOM 272 CG ARG A 16 -0.422 12.290 6.436 1.00 0.00 C ATOM 273 CD ARG A 16 -0.015 11.915 5.009 1.00 0.00 C ATOM 274 NE ARG A 16 1.399 11.477 4.985 1.00 0.00 N ATOM 275 CZ ARG A 16 2.115 11.312 3.865 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.554 11.547 2.671 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.391 10.911 3.939 1.00 0.00 N ATOM 0 H ARG A 16 -0.808 14.623 8.133 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.372 13.161 7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.505 11.756 6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.147 13.392 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.171 13.139 6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.206 11.461 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.658 11.118 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.151 12.770 4.347 1.00 0.00 H new ATOM 0 HE ARG A 16 1.857 11.289 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.582 11.851 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.099 11.421 1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.817 10.731 4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.936 10.785 3.086 1.00 0.00 H new ATOM 291 N ARG A 17 -1.893 10.942 8.763 1.00 0.00 N ATOM 292 CA ARG A 17 -1.376 9.951 9.692 1.00 0.00 C ATOM 293 C ARG A 17 -1.085 8.639 8.960 1.00 0.00 C ATOM 294 O ARG A 17 -1.968 8.074 8.316 1.00 0.00 O ATOM 295 CB ARG A 17 -2.370 9.686 10.824 1.00 0.00 C ATOM 296 CG ARG A 17 -1.658 9.627 12.177 1.00 0.00 C ATOM 297 CD ARG A 17 -2.563 10.145 13.296 1.00 0.00 C ATOM 298 NE ARG A 17 -2.828 9.066 14.274 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.284 9.273 15.516 1.00 0.00 C ATOM 300 NH1 ARG A 17 -3.531 10.520 15.940 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.495 8.234 16.335 1.00 0.00 N ATOM 0 H ARG A 17 -2.415 10.557 7.976 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.454 10.345 10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.125 10.472 10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.891 8.746 10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.361 8.600 12.391 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.745 10.222 12.138 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.090 10.991 13.795 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.502 10.506 12.877 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.652 8.104 13.984 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.372 11.312 15.317 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.878 10.678 16.886 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.308 7.284 16.013 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.842 8.393 17.281 1.00 0.00 H new ATOM 315 N GLU A 18 0.156 8.192 9.084 1.00 0.00 N ATOM 316 CA GLU A 18 0.574 6.957 8.442 1.00 0.00 C ATOM 317 C GLU A 18 0.448 5.784 9.416 1.00 0.00 C ATOM 318 O GLU A 18 1.253 5.646 10.335 1.00 0.00 O ATOM 319 CB GLU A 18 2.003 7.074 7.907 1.00 0.00 C ATOM 320 CG GLU A 18 2.165 8.328 7.045 1.00 0.00 C ATOM 321 CD GLU A 18 1.898 8.018 5.570 1.00 0.00 C ATOM 322 OE1 GLU A 18 0.938 7.259 5.315 1.00 0.00 O ATOM 323 OE2 GLU A 18 2.659 8.547 4.733 1.00 0.00 O ATOM 0 H GLU A 18 0.886 8.663 9.619 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.083 6.771 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.705 7.108 8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.248 6.190 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.477 9.101 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.174 8.725 7.160 1.00 0.00 H new ATOM 330 N LEU A 19 -0.570 4.969 9.181 1.00 0.00 N ATOM 331 CA LEU A 19 -0.812 3.811 10.025 1.00 0.00 C ATOM 332 C LEU A 19 -0.556 2.535 9.221 1.00 0.00 C ATOM 333 O LEU A 19 -1.000 2.417 8.080 1.00 0.00 O ATOM 334 CB LEU A 19 -2.211 3.881 10.640 1.00 0.00 C ATOM 335 CG LEU A 19 -2.666 5.261 11.118 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.918 5.716 10.366 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.871 5.277 12.634 1.00 0.00 C ATOM 0 H LEU A 19 -1.237 5.088 8.418 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.119 3.801 10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.928 3.519 9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.249 3.195 11.486 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.876 5.978 10.893 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.221 6.700 10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.702 5.769 9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.725 5.003 10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.194 6.270 12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.632 4.545 12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.933 5.027 13.131 1.00 0.00 H new ATOM 349 N ASP A 20 0.158 1.612 9.848 1.00 0.00 N ATOM 350 CA ASP A 20 0.479 0.349 9.204 1.00 0.00 C ATOM 351 C ASP A 20 -0.145 -0.797 10.003 1.00 0.00 C ATOM 352 O ASP A 20 -0.118 -0.788 11.233 1.00 0.00 O ATOM 353 CB ASP A 20 1.991 0.124 9.155 1.00 0.00 C ATOM 354 CG ASP A 20 2.601 0.132 7.752 1.00 0.00 C ATOM 355 OD1 ASP A 20 1.808 0.223 6.789 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.845 0.046 7.673 1.00 0.00 O ATOM 0 H ASP A 20 0.523 1.713 10.795 1.00 0.00 H new ATOM 0 HA ASP A 20 0.087 0.379 8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.478 0.896 9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.216 -0.832 9.627 1.00 0.00 H new ATOM 361 N PHE A 21 -0.690 -1.758 9.271 1.00 0.00 N ATOM 362 CA PHE A 21 -1.319 -2.909 9.896 1.00 0.00 C ATOM 363 C PHE A 21 -1.300 -4.119 8.960 1.00 0.00 C ATOM 364 O PHE A 21 -0.937 -3.999 7.791 1.00 0.00 O ATOM 365 CB PHE A 21 -2.772 -2.524 10.183 1.00 0.00 C ATOM 366 CG PHE A 21 -3.594 -2.219 8.929 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.438 -1.030 8.287 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.481 -3.136 8.458 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.201 -0.747 7.124 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.244 -2.852 7.294 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.088 -1.664 6.652 1.00 0.00 C ATOM 0 H PHE A 21 -0.709 -1.763 8.251 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.782 -3.178 10.806 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.251 -3.336 10.730 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.784 -1.650 10.834 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.734 -0.302 8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.605 -4.080 8.969 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.077 0.197 6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.948 -3.580 6.919 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.668 -1.448 5.767 1.00 0.00 H new ATOM 381 N ILE A 22 -1.695 -5.258 9.510 1.00 0.00 N ATOM 382 CA ILE A 22 -1.728 -6.489 8.739 1.00 0.00 C ATOM 383 C ILE A 22 -3.139 -7.079 8.787 1.00 0.00 C ATOM 384 O ILE A 22 -3.747 -7.156 9.854 1.00 0.00 O ATOM 385 CB ILE A 22 -0.642 -7.453 9.221 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.732 -6.780 9.210 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.653 -8.746 8.404 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.257 -6.628 7.781 1.00 0.00 C ATOM 0 H ILE A 22 -1.995 -5.354 10.480 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.502 -6.288 7.692 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.860 -7.724 10.254 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.665 -5.800 9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.435 -7.370 9.798 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.129 -9.413 8.768 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.623 -9.233 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.473 -8.515 7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.235 -6.147 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.346 -7.611 7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.564 -6.017 7.202 1.00 0.00 H new ATOM 400 N VAL A 23 -3.618 -7.481 7.619 1.00 0.00 N ATOM 401 CA VAL A 23 -4.946 -8.061 7.515 1.00 0.00 C ATOM 402 C VAL A 23 -4.824 -9.577 7.349 1.00 0.00 C ATOM 403 O VAL A 23 -4.226 -10.053 6.385 1.00 0.00 O ATOM 404 CB VAL A 23 -5.721 -7.395 6.376 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.214 -7.718 6.465 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.487 -5.883 6.364 1.00 0.00 C ATOM 0 H VAL A 23 -3.110 -7.417 6.737 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.515 -7.878 8.427 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.347 -7.800 5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.741 -7.232 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.357 -8.797 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.609 -7.356 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.049 -5.434 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.820 -5.456 7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.425 -5.680 6.229 1.00 0.00 H new ATOM 416 N LYS A 24 -5.400 -10.293 8.303 1.00 0.00 N ATOM 417 CA LYS A 24 -5.363 -11.746 8.274 1.00 0.00 C ATOM 418 C LYS A 24 -6.780 -12.284 8.067 1.00 0.00 C ATOM 419 O LYS A 24 -7.757 -11.612 8.393 1.00 0.00 O ATOM 420 CB LYS A 24 -4.677 -12.289 9.529 1.00 0.00 C ATOM 421 CG LYS A 24 -3.156 -12.306 9.359 1.00 0.00 C ATOM 422 CD LYS A 24 -2.452 -12.044 10.693 1.00 0.00 C ATOM 423 CE LYS A 24 -1.092 -12.744 10.741 1.00 0.00 C ATOM 424 NZ LYS A 24 -1.246 -14.145 11.192 1.00 0.00 N ATOM 0 H LYS A 24 -5.895 -9.895 9.101 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.763 -12.095 7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.944 -11.674 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.035 -13.298 9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.842 -13.271 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.859 -11.550 8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.318 -10.971 10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.076 -12.397 11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.630 -12.722 9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.425 -12.209 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.314 -14.605 11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.667 -14.159 12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.866 -14.656 10.531 1.00 0.00 H new ATOM 438 N TYR A 25 -6.847 -13.491 7.524 1.00 0.00 N ATOM 439 CA TYR A 25 -8.128 -14.127 7.269 1.00 0.00 C ATOM 440 C TYR A 25 -7.939 -15.569 6.793 1.00 0.00 C ATOM 441 O TYR A 25 -6.826 -15.978 6.467 1.00 0.00 O ATOM 442 CB TYR A 25 -8.786 -13.315 6.151 1.00 0.00 C ATOM 443 CG TYR A 25 -7.923 -13.172 4.896 1.00 0.00 C ATOM 444 CD1 TYR A 25 -6.875 -12.275 4.878 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.194 -13.940 3.781 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.063 -12.140 3.696 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.382 -13.805 2.600 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.357 -12.912 2.615 1.00 0.00 C ATOM 449 OH TYR A 25 -5.590 -12.784 1.499 1.00 0.00 O ATOM 0 H TYR A 25 -6.034 -14.045 7.254 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.731 -14.154 8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.729 -13.788 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.026 -12.322 6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.663 -11.674 5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.015 -14.642 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.239 -11.442 3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.583 -14.400 1.721 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.914 -13.397 0.807 1.00 0.00 H new ATOM 459 N GLU A 26 -9.044 -16.299 6.769 1.00 0.00 N ATOM 460 CA GLU A 26 -9.014 -17.687 6.339 1.00 0.00 C ATOM 461 C GLU A 26 -9.976 -17.900 5.168 1.00 0.00 C ATOM 462 O GLU A 26 -11.131 -18.271 5.368 1.00 0.00 O ATOM 463 CB GLU A 26 -9.346 -18.628 7.499 1.00 0.00 C ATOM 464 CG GLU A 26 -8.082 -19.013 8.271 1.00 0.00 C ATOM 465 CD GLU A 26 -8.181 -18.580 9.735 1.00 0.00 C ATOM 466 OE1 GLU A 26 -9.133 -19.040 10.400 1.00 0.00 O ATOM 467 OE2 GLU A 26 -7.301 -17.797 10.155 1.00 0.00 O ATOM 0 H GLU A 26 -9.966 -15.956 7.040 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.004 -17.921 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.055 -18.146 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.831 -19.526 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.932 -20.091 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.212 -18.547 7.808 1.00 0.00 H new ATOM 474 N GLY A 27 -9.463 -17.656 3.971 1.00 0.00 N ATOM 475 CA GLY A 27 -10.262 -17.817 2.767 1.00 0.00 C ATOM 476 C GLY A 27 -10.856 -16.479 2.321 1.00 0.00 C ATOM 477 O GLY A 27 -10.972 -15.550 3.119 1.00 0.00 O ATOM 0 H GLY A 27 -8.504 -17.348 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.645 -18.229 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.064 -18.532 2.951 1.00 0.00 H new ATOM 481 N SER A 28 -11.217 -16.424 1.048 1.00 0.00 N ATOM 482 CA SER A 28 -11.797 -15.216 0.486 1.00 0.00 C ATOM 483 C SER A 28 -10.829 -14.043 0.656 1.00 0.00 C ATOM 484 O SER A 28 -9.917 -14.101 1.479 1.00 0.00 O ATOM 485 CB SER A 28 -13.141 -14.894 1.141 1.00 0.00 C ATOM 486 OG SER A 28 -13.579 -13.572 0.840 1.00 0.00 O ATOM 0 H SER A 28 -11.119 -17.197 0.389 1.00 0.00 H new ATOM 0 HA SER A 28 -11.972 -15.383 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.890 -15.610 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.055 -15.010 2.221 1.00 0.00 H new ATOM 0 HG SER A 28 -14.441 -13.406 1.275 1.00 0.00 H new ATOM 492 N THR A 29 -11.061 -13.007 -0.136 1.00 0.00 N ATOM 493 CA THR A 29 -10.221 -11.822 -0.084 1.00 0.00 C ATOM 494 C THR A 29 -11.058 -10.589 0.262 1.00 0.00 C ATOM 495 O THR A 29 -11.984 -10.239 -0.468 1.00 0.00 O ATOM 496 CB THR A 29 -9.487 -11.703 -1.421 1.00 0.00 C ATOM 497 OG1 THR A 29 -8.408 -12.628 -1.309 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.799 -10.347 -1.593 1.00 0.00 C ATOM 0 H THR A 29 -11.819 -12.963 -0.818 1.00 0.00 H new ATOM 0 HA THR A 29 -9.475 -11.901 0.707 1.00 0.00 H new ATOM 0 HB THR A 29 -10.193 -11.858 -2.237 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.880 -12.617 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.293 -10.315 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.544 -9.553 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.069 -10.206 -0.796 1.00 0.00 H new ATOM 506 N PRO A 30 -10.693 -9.948 1.404 1.00 0.00 N ATOM 507 CA PRO A 30 -11.400 -8.762 1.855 1.00 0.00 C ATOM 508 C PRO A 30 -11.022 -7.544 1.010 1.00 0.00 C ATOM 509 O PRO A 30 -9.862 -7.377 0.639 1.00 0.00 O ATOM 510 CB PRO A 30 -11.019 -8.610 3.319 1.00 0.00 C ATOM 511 CG PRO A 30 -9.758 -9.437 3.510 1.00 0.00 C ATOM 512 CD PRO A 30 -9.601 -10.334 2.293 1.00 0.00 C ATOM 0 HA PRO A 30 -12.481 -8.849 1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.842 -7.564 3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.819 -8.963 3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.889 -8.788 3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.827 -10.035 4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.632 -10.188 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.666 -11.387 2.566 1.00 0.00 H new ATOM 520 N SER A 31 -12.025 -6.724 0.730 1.00 0.00 N ATOM 521 CA SER A 31 -11.813 -5.526 -0.065 1.00 0.00 C ATOM 522 C SER A 31 -11.295 -4.393 0.824 1.00 0.00 C ATOM 523 O SER A 31 -11.420 -4.452 2.046 1.00 0.00 O ATOM 524 CB SER A 31 -13.100 -5.099 -0.772 1.00 0.00 C ATOM 525 OG SER A 31 -13.649 -6.151 -1.562 1.00 0.00 O ATOM 0 H SER A 31 -12.986 -6.866 1.040 1.00 0.00 H new ATOM 0 HA SER A 31 -11.068 -5.750 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.833 -4.782 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.896 -4.237 -1.407 1.00 0.00 H new ATOM 0 HG SER A 31 -14.471 -5.840 -1.996 1.00 0.00 H new ATOM 531 N ARG A 32 -10.724 -3.389 0.175 1.00 0.00 N ATOM 532 CA ARG A 32 -10.187 -2.244 0.891 1.00 0.00 C ATOM 533 C ARG A 32 -11.284 -1.576 1.723 1.00 0.00 C ATOM 534 O ARG A 32 -11.089 -1.298 2.905 1.00 0.00 O ATOM 535 CB ARG A 32 -9.593 -1.219 -0.076 1.00 0.00 C ATOM 536 CG ARG A 32 -8.216 -1.666 -0.571 1.00 0.00 C ATOM 537 CD ARG A 32 -7.576 -0.593 -1.455 1.00 0.00 C ATOM 538 NE ARG A 32 -6.929 -1.222 -2.627 1.00 0.00 N ATOM 539 CZ ARG A 32 -7.579 -1.577 -3.744 1.00 0.00 C ATOM 540 NH1 ARG A 32 -8.898 -1.366 -3.847 1.00 0.00 N ATOM 541 NH2 ARG A 32 -6.910 -2.143 -4.758 1.00 0.00 N ATOM 0 H ARG A 32 -10.621 -3.345 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.397 -2.605 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.263 -1.084 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.509 -0.252 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.569 -1.874 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.311 -2.595 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.334 0.117 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.840 -0.030 -0.882 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.925 -1.397 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.407 -0.935 -3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.393 -1.636 -4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.906 -2.304 -4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.405 -2.413 -5.608 1.00 0.00 H new ATOM 555 N ASN A 33 -12.412 -1.337 1.072 1.00 0.00 N ATOM 556 CA ASN A 33 -13.540 -0.706 1.736 1.00 0.00 C ATOM 557 C ASN A 33 -13.921 -1.524 2.972 1.00 0.00 C ATOM 558 O ASN A 33 -14.363 -0.968 3.976 1.00 0.00 O ATOM 559 CB ASN A 33 -14.760 -0.647 0.814 1.00 0.00 C ATOM 560 CG ASN A 33 -15.027 -2.009 0.170 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.266 -3.003 0.835 1.00 0.00 O ATOM 562 ND2 ASN A 33 -14.973 -1.998 -1.159 1.00 0.00 N ATOM 0 H ASN A 33 -12.570 -1.569 0.091 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.246 0.307 2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.635 -0.332 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.598 0.101 0.038 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.137 -2.857 -1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.768 -1.130 -1.654 1.00 0.00 H new ATOM 569 N ASP A 34 -13.736 -2.831 2.857 1.00 0.00 N ATOM 570 CA ASP A 34 -14.055 -3.731 3.953 1.00 0.00 C ATOM 571 C ASP A 34 -13.030 -3.547 5.073 1.00 0.00 C ATOM 572 O ASP A 34 -13.397 -3.342 6.229 1.00 0.00 O ATOM 573 CB ASP A 34 -14.003 -5.191 3.499 1.00 0.00 C ATOM 574 CG ASP A 34 -15.364 -5.880 3.381 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.160 -5.423 2.533 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.577 -6.849 4.141 1.00 0.00 O ATOM 0 H ASP A 34 -13.369 -3.288 2.022 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.061 -3.497 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.504 -5.237 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.388 -5.753 4.202 1.00 0.00 H new ATOM 581 N VAL A 35 -11.763 -3.626 4.691 1.00 0.00 N ATOM 582 CA VAL A 35 -10.682 -3.471 5.649 1.00 0.00 C ATOM 583 C VAL A 35 -10.738 -2.065 6.252 1.00 0.00 C ATOM 584 O VAL A 35 -10.548 -1.894 7.455 1.00 0.00 O ATOM 585 CB VAL A 35 -9.341 -3.781 4.980 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.173 -3.339 5.863 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.234 -5.267 4.632 1.00 0.00 C ATOM 0 H VAL A 35 -11.462 -3.795 3.731 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.793 -4.181 6.468 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.291 -3.214 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.232 -3.571 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.236 -2.265 6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.218 -3.866 6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.272 -5.461 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.316 -5.861 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.037 -5.539 3.948 1.00 0.00 H new ATOM 597 N ARG A 36 -11.000 -1.096 5.388 1.00 0.00 N ATOM 598 CA ARG A 36 -11.083 0.289 5.820 1.00 0.00 C ATOM 599 C ARG A 36 -12.090 0.429 6.963 1.00 0.00 C ATOM 600 O ARG A 36 -11.777 1.004 8.005 1.00 0.00 O ATOM 601 CB ARG A 36 -11.502 1.202 4.666 1.00 0.00 C ATOM 602 CG ARG A 36 -10.386 2.187 4.312 1.00 0.00 C ATOM 603 CD ARG A 36 -10.963 3.526 3.850 1.00 0.00 C ATOM 604 NE ARG A 36 -10.296 3.961 2.602 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.773 4.914 1.789 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.921 5.536 2.087 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.100 5.243 0.677 1.00 0.00 N ATOM 0 H ARG A 36 -11.158 -1.242 4.391 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.093 0.589 6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.750 0.599 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.403 1.751 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.745 2.343 5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.760 1.766 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.036 3.431 3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.825 4.278 4.627 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.419 3.507 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.433 5.285 2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.284 6.261 1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.226 4.768 0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.462 5.968 0.058 1.00 0.00 H new ATOM 621 N ASN A 37 -13.279 -0.107 6.731 1.00 0.00 N ATOM 622 CA ASN A 37 -14.334 -0.049 7.728 1.00 0.00 C ATOM 623 C ASN A 37 -13.832 -0.673 9.032 1.00 0.00 C ATOM 624 O ASN A 37 -14.221 -0.246 10.118 1.00 0.00 O ATOM 625 CB ASN A 37 -15.566 -0.834 7.273 1.00 0.00 C ATOM 626 CG ASN A 37 -16.727 0.109 6.948 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.106 0.962 7.733 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.269 -0.093 5.750 1.00 0.00 N ATOM 0 H ASN A 37 -13.535 -0.584 5.866 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.605 0.997 7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.319 -1.429 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.867 -1.531 8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.051 0.484 5.440 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.903 -0.825 5.141 1.00 0.00 H new ATOM 635 N LYS A 38 -12.976 -1.672 8.881 1.00 0.00 N ATOM 636 CA LYS A 38 -12.416 -2.359 10.033 1.00 0.00 C ATOM 637 C LYS A 38 -11.511 -1.396 10.805 1.00 0.00 C ATOM 638 O LYS A 38 -11.599 -1.303 12.028 1.00 0.00 O ATOM 639 CB LYS A 38 -11.716 -3.648 9.600 1.00 0.00 C ATOM 640 CG LYS A 38 -11.644 -4.648 10.756 1.00 0.00 C ATOM 641 CD LYS A 38 -11.912 -6.073 10.267 1.00 0.00 C ATOM 642 CE LYS A 38 -12.132 -7.025 11.444 1.00 0.00 C ATOM 643 NZ LYS A 38 -13.292 -7.908 11.187 1.00 0.00 N ATOM 0 H LYS A 38 -12.656 -2.023 7.978 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.208 -2.668 10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.252 -4.093 8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.710 -3.419 9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.660 -4.599 11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.373 -4.379 11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.789 -6.080 9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.071 -6.420 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.238 -7.627 11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.299 -6.452 12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.002 -7.775 11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.711 -7.671 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.979 -8.900 11.180 1.00 0.00 H new ATOM 657 N LEU A 39 -10.663 -0.705 10.058 1.00 0.00 N ATOM 658 CA LEU A 39 -9.742 0.246 10.657 1.00 0.00 C ATOM 659 C LEU A 39 -10.528 1.453 11.174 1.00 0.00 C ATOM 660 O LEU A 39 -10.408 1.823 12.341 1.00 0.00 O ATOM 661 CB LEU A 39 -8.633 0.613 9.669 1.00 0.00 C ATOM 662 CG LEU A 39 -7.203 0.534 10.207 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.550 -0.799 9.837 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.373 1.729 9.735 1.00 0.00 C ATOM 0 H LEU A 39 -10.594 -0.785 9.043 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.239 -0.200 11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.712 -0.046 8.804 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.811 1.628 9.314 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.245 0.580 11.295 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.534 -0.829 10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.129 -1.618 10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.521 -0.901 8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.361 1.648 10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.336 1.739 8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.830 2.652 10.091 1.00 0.00 H new ATOM 676 N ALA A 40 -11.316 2.033 10.280 1.00 0.00 N ATOM 677 CA ALA A 40 -12.121 3.190 10.632 1.00 0.00 C ATOM 678 C ALA A 40 -12.870 2.908 11.936 1.00 0.00 C ATOM 679 O ALA A 40 -13.021 3.796 12.774 1.00 0.00 O ATOM 680 CB ALA A 40 -13.068 3.523 9.477 1.00 0.00 C ATOM 0 H ALA A 40 -11.414 1.723 9.313 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.488 4.062 10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.672 4.391 9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.487 3.744 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.721 2.672 9.285 1.00 0.00 H new ATOM 686 N ALA A 41 -13.318 1.668 12.067 1.00 0.00 N ATOM 687 CA ALA A 41 -14.047 1.258 13.255 1.00 0.00 C ATOM 688 C ALA A 41 -13.067 1.091 14.418 1.00 0.00 C ATOM 689 O ALA A 41 -13.385 1.430 15.557 1.00 0.00 O ATOM 690 CB ALA A 41 -14.825 -0.026 12.959 1.00 0.00 C ATOM 0 H ALA A 41 -13.190 0.934 11.370 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.772 2.020 13.542 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.372 -0.334 13.850 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.528 0.154 12.146 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.130 -0.814 12.670 1.00 0.00 H new ATOM 696 N MET A 42 -11.894 0.568 14.090 1.00 0.00 N ATOM 697 CA MET A 42 -10.865 0.352 15.093 1.00 0.00 C ATOM 698 C MET A 42 -10.331 1.683 15.627 1.00 0.00 C ATOM 699 O MET A 42 -10.210 1.866 16.837 1.00 0.00 O ATOM 700 CB MET A 42 -9.715 -0.450 14.480 1.00 0.00 C ATOM 701 CG MET A 42 -10.058 -1.940 14.417 1.00 0.00 C ATOM 702 SD MET A 42 -8.901 -2.875 15.403 1.00 0.00 S ATOM 703 CE MET A 42 -7.609 -3.136 14.200 1.00 0.00 C ATOM 0 H MET A 42 -11.634 0.288 13.144 1.00 0.00 H new ATOM 0 HA MET A 42 -11.304 -0.201 15.923 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.502 -0.079 13.477 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.811 -0.306 15.071 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.073 -2.104 14.780 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.029 -2.285 13.383 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.657 -3.274 14.713 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.835 -4.024 13.610 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.544 -2.270 13.542 1.00 0.00 H new ATOM 713 N LEU A 43 -10.027 2.577 14.698 1.00 0.00 N ATOM 714 CA LEU A 43 -9.509 3.886 15.060 1.00 0.00 C ATOM 715 C LEU A 43 -10.678 4.846 15.289 1.00 0.00 C ATOM 716 O LEU A 43 -10.472 6.037 15.519 1.00 0.00 O ATOM 717 CB LEU A 43 -8.508 4.374 14.012 1.00 0.00 C ATOM 718 CG LEU A 43 -7.812 3.287 13.191 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.612 3.856 12.431 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.422 2.099 14.072 1.00 0.00 C ATOM 0 H LEU A 43 -10.129 2.421 13.695 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.953 3.831 15.996 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.028 5.043 13.326 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.744 4.966 14.516 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.518 2.918 12.447 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.136 3.062 11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.949 4.642 11.755 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.895 4.270 13.140 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.929 1.341 13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.742 2.434 14.855 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.317 1.674 14.527 1.00 0.00 H new ATOM 732 N ASN A 44 -11.880 4.293 15.216 1.00 0.00 N ATOM 733 CA ASN A 44 -13.082 5.086 15.412 1.00 0.00 C ATOM 734 C ASN A 44 -12.957 6.396 14.631 1.00 0.00 C ATOM 735 O ASN A 44 -13.373 7.450 15.108 1.00 0.00 O ATOM 736 CB ASN A 44 -13.278 5.433 16.889 1.00 0.00 C ATOM 737 CG ASN A 44 -13.031 4.212 17.777 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.945 3.511 18.180 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.749 3.998 18.058 1.00 0.00 N ATOM 0 H ASN A 44 -12.047 3.305 15.024 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.933 4.501 15.063 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.597 6.236 17.171 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.291 5.804 17.048 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.480 3.207 18.644 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.034 4.624 17.688 1.00 0.00 H new ATOM 746 N ALA A 45 -12.381 6.286 13.443 1.00 0.00 N ATOM 747 CA ALA A 45 -12.195 7.448 12.591 1.00 0.00 C ATOM 748 C ALA A 45 -13.108 7.330 11.368 1.00 0.00 C ATOM 749 O ALA A 45 -13.635 6.256 11.085 1.00 0.00 O ATOM 750 CB ALA A 45 -10.719 7.570 12.207 1.00 0.00 C ATOM 0 H ALA A 45 -12.037 5.410 13.050 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.470 8.360 13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.580 8.442 11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.117 7.681 13.109 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.407 6.674 11.671 1.00 0.00 H new ATOM 756 N PRO A 46 -13.270 8.479 10.659 1.00 0.00 N ATOM 757 CA PRO A 46 -14.110 8.514 9.473 1.00 0.00 C ATOM 758 C PRO A 46 -13.414 7.840 8.289 1.00 0.00 C ATOM 759 O PRO A 46 -12.216 8.026 8.080 1.00 0.00 O ATOM 760 CB PRO A 46 -14.393 9.988 9.235 1.00 0.00 C ATOM 761 CG PRO A 46 -13.329 10.748 10.013 1.00 0.00 C ATOM 762 CD PRO A 46 -12.661 9.770 10.965 1.00 0.00 C ATOM 0 HA PRO A 46 -15.040 7.959 9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.346 10.228 8.173 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.393 10.254 9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.595 11.181 9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.777 11.574 10.566 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.582 9.744 10.813 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.830 10.051 12.004 1.00 0.00 H new ATOM 770 N LEU A 47 -14.195 7.071 7.545 1.00 0.00 N ATOM 771 CA LEU A 47 -13.670 6.369 6.386 1.00 0.00 C ATOM 772 C LEU A 47 -13.203 7.388 5.345 1.00 0.00 C ATOM 773 O LEU A 47 -12.078 7.308 4.854 1.00 0.00 O ATOM 774 CB LEU A 47 -14.699 5.371 5.852 1.00 0.00 C ATOM 775 CG LEU A 47 -14.152 4.010 5.418 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.460 2.937 6.464 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.674 3.626 4.032 1.00 0.00 C ATOM 0 H LEU A 47 -15.188 6.918 7.722 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.799 5.775 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.452 5.208 6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.207 5.824 5.001 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.067 4.085 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.060 1.979 6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.000 3.212 7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.539 2.855 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.270 2.654 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.763 3.574 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.362 4.376 3.305 1.00 0.00 H new ATOM 789 N GLU A 48 -14.090 8.323 5.040 1.00 0.00 N ATOM 790 CA GLU A 48 -13.783 9.357 4.066 1.00 0.00 C ATOM 791 C GLU A 48 -12.385 9.924 4.318 1.00 0.00 C ATOM 792 O GLU A 48 -11.621 10.141 3.379 1.00 0.00 O ATOM 793 CB GLU A 48 -14.838 10.465 4.092 1.00 0.00 C ATOM 794 CG GLU A 48 -15.357 10.695 5.513 1.00 0.00 C ATOM 795 CD GLU A 48 -16.771 10.133 5.677 1.00 0.00 C ATOM 796 OE1 GLU A 48 -17.712 10.825 5.231 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.879 9.025 6.245 1.00 0.00 O ATOM 0 H GLU A 48 -15.022 8.387 5.450 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.799 8.910 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.410 11.389 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.667 10.198 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.687 10.220 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.358 11.762 5.736 1.00 0.00 H new ATOM 804 N LEU A 49 -12.093 10.150 5.590 1.00 0.00 N ATOM 805 CA LEU A 49 -10.800 10.688 5.977 1.00 0.00 C ATOM 806 C LEU A 49 -9.741 9.588 5.869 1.00 0.00 C ATOM 807 O LEU A 49 -8.569 9.872 5.626 1.00 0.00 O ATOM 808 CB LEU A 49 -10.880 11.331 7.363 1.00 0.00 C ATOM 809 CG LEU A 49 -11.832 12.521 7.497 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.603 13.261 8.816 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.717 13.453 6.289 1.00 0.00 C ATOM 0 H LEU A 49 -12.730 9.970 6.366 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.501 11.486 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.182 10.567 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.880 11.657 7.648 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.854 12.141 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.293 14.102 8.886 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.775 12.580 9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.577 13.628 8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.404 14.291 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.696 13.828 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.969 12.905 5.381 1.00 0.00 H new ATOM 823 N LEU A 50 -10.193 8.357 6.056 1.00 0.00 N ATOM 824 CA LEU A 50 -9.299 7.213 5.983 1.00 0.00 C ATOM 825 C LEU A 50 -9.102 6.819 4.518 1.00 0.00 C ATOM 826 O LEU A 50 -10.054 6.814 3.739 1.00 0.00 O ATOM 827 CB LEU A 50 -9.815 6.073 6.863 1.00 0.00 C ATOM 828 CG LEU A 50 -8.879 5.614 7.983 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.564 5.717 9.347 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.350 4.204 7.712 1.00 0.00 C ATOM 0 H LEU A 50 -11.166 8.126 6.258 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.317 7.470 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.759 6.384 7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.032 5.217 6.224 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.018 6.282 8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.877 5.385 10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.850 6.752 9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.454 5.088 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.687 3.902 8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.186 3.508 7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.799 4.197 6.771 1.00 0.00 H new ATOM 842 N VAL A 51 -7.860 6.497 4.187 1.00 0.00 N ATOM 843 CA VAL A 51 -7.526 6.101 2.829 1.00 0.00 C ATOM 844 C VAL A 51 -6.545 4.928 2.871 1.00 0.00 C ATOM 845 O VAL A 51 -5.880 4.706 3.882 1.00 0.00 O ATOM 846 CB VAL A 51 -6.987 7.304 2.052 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.107 7.080 0.543 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.696 8.592 2.473 1.00 0.00 C ATOM 0 H VAL A 51 -7.073 6.502 4.836 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.416 5.761 2.300 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.929 7.411 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.717 7.950 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.535 6.196 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.154 6.934 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.294 9.431 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.764 8.500 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.536 8.764 3.537 1.00 0.00 H new ATOM 858 N ILE A 52 -6.486 4.208 1.761 1.00 0.00 N ATOM 859 CA ILE A 52 -5.597 3.063 1.658 1.00 0.00 C ATOM 860 C ILE A 52 -4.613 3.288 0.509 1.00 0.00 C ATOM 861 O ILE A 52 -5.020 3.585 -0.613 1.00 0.00 O ATOM 862 CB ILE A 52 -6.403 1.769 1.532 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.441 1.658 2.651 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.480 0.550 1.485 1.00 0.00 C ATOM 865 CD1 ILE A 52 -6.850 0.967 3.881 1.00 0.00 C ATOM 0 H ILE A 52 -7.039 4.395 0.925 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.006 2.957 2.568 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.948 1.797 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.795 2.652 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.306 1.098 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.079 -0.356 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.814 0.631 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.889 0.506 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.609 0.901 4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.519 -0.036 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.001 1.543 4.249 1.00 0.00 H new ATOM 877 N GLN A 53 -3.335 3.139 0.828 1.00 0.00 N ATOM 878 CA GLN A 53 -2.290 3.323 -0.164 1.00 0.00 C ATOM 879 C GLN A 53 -2.303 2.170 -1.169 1.00 0.00 C ATOM 880 O GLN A 53 -2.388 2.394 -2.376 1.00 0.00 O ATOM 881 CB GLN A 53 -0.919 3.453 0.503 1.00 0.00 C ATOM 882 CG GLN A 53 0.190 3.579 -0.544 1.00 0.00 C ATOM 883 CD GLN A 53 1.468 4.148 0.076 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.738 5.337 0.024 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.236 3.236 0.665 1.00 0.00 N ATOM 0 H GLN A 53 -3.000 2.893 1.760 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.486 4.250 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.909 4.326 1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.733 2.583 1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.397 2.601 -0.979 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.143 4.225 -1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.951 2.257 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.110 3.516 1.109 1.00 0.00 H new ATOM 894 N ARG A 54 -2.218 0.960 -0.635 1.00 0.00 N ATOM 895 CA ARG A 54 -2.219 -0.229 -1.470 1.00 0.00 C ATOM 896 C ARG A 54 -2.076 -1.484 -0.607 1.00 0.00 C ATOM 897 O ARG A 54 -1.160 -1.580 0.208 1.00 0.00 O ATOM 898 CB ARG A 54 -1.080 -0.187 -2.490 1.00 0.00 C ATOM 899 CG ARG A 54 -1.581 -0.554 -3.888 1.00 0.00 C ATOM 900 CD ARG A 54 -0.488 -0.338 -4.937 1.00 0.00 C ATOM 901 NE ARG A 54 -1.090 0.125 -6.207 1.00 0.00 N ATOM 902 CZ ARG A 54 -1.616 1.344 -6.389 1.00 0.00 C ATOM 903 NH1 ARG A 54 -1.618 2.230 -5.383 1.00 0.00 N ATOM 904 NH2 ARG A 54 -2.141 1.677 -7.576 1.00 0.00 N ATOM 0 H ARG A 54 -2.148 0.778 0.366 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.169 -0.258 -2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.640 0.810 -2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.292 -0.878 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.902 -1.596 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.453 0.051 -4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.233 0.397 -4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.059 -1.267 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.106 -0.525 -6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.219 1.976 -4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.018 3.158 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.140 1.003 -8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.541 2.605 -7.714 1.00 0.00 H new ATOM 918 N ILE A 55 -2.995 -2.415 -0.816 1.00 0.00 N ATOM 919 CA ILE A 55 -2.983 -3.660 -0.068 1.00 0.00 C ATOM 920 C ILE A 55 -2.216 -4.720 -0.861 1.00 0.00 C ATOM 921 O ILE A 55 -2.298 -4.762 -2.088 1.00 0.00 O ATOM 922 CB ILE A 55 -4.408 -4.079 0.300 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.953 -3.224 1.446 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.476 -5.574 0.617 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.423 -3.547 1.720 1.00 0.00 C ATOM 0 H ILE A 55 -3.753 -2.332 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.460 -3.529 0.879 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.049 -3.904 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.365 -3.399 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.849 -2.168 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.500 -5.845 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.158 -6.146 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.818 -5.798 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.786 -2.926 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.012 -3.348 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.520 -4.598 1.992 1.00 0.00 H new ATOM 937 N LYS A 56 -1.488 -5.550 -0.129 1.00 0.00 N ATOM 938 CA LYS A 56 -0.708 -6.607 -0.749 1.00 0.00 C ATOM 939 C LYS A 56 -1.102 -7.953 -0.137 1.00 0.00 C ATOM 940 O LYS A 56 -0.811 -8.217 1.029 1.00 0.00 O ATOM 941 CB LYS A 56 0.788 -6.299 -0.646 1.00 0.00 C ATOM 942 CG LYS A 56 1.226 -5.333 -1.749 1.00 0.00 C ATOM 943 CD LYS A 56 2.180 -4.271 -1.201 1.00 0.00 C ATOM 944 CE LYS A 56 3.009 -3.646 -2.324 1.00 0.00 C ATOM 945 NZ LYS A 56 4.074 -4.575 -2.762 1.00 0.00 N ATOM 0 H LYS A 56 -1.422 -5.512 0.888 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.926 -6.666 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.007 -5.866 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.359 -7.224 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.715 -5.888 -2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.350 -4.851 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.611 -3.495 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.843 -4.720 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.363 -3.401 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.452 -2.712 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.774 -4.057 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.540 -4.986 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.657 -5.336 -3.336 1.00 0.00 H new ATOM 959 N THR A 57 -1.757 -8.768 -0.951 1.00 0.00 N ATOM 960 CA THR A 57 -2.194 -10.079 -0.504 1.00 0.00 C ATOM 961 C THR A 57 -1.184 -11.149 -0.924 1.00 0.00 C ATOM 962 O THR A 57 -0.667 -11.116 -2.039 1.00 0.00 O ATOM 963 CB THR A 57 -3.601 -10.322 -1.054 1.00 0.00 C ATOM 964 OG1 THR A 57 -4.329 -9.158 -0.672 1.00 0.00 O ATOM 965 CG2 THR A 57 -4.321 -11.465 -0.337 1.00 0.00 C ATOM 0 H THR A 57 -1.995 -8.545 -1.917 1.00 0.00 H new ATOM 0 HA THR A 57 -2.242 -10.130 0.584 1.00 0.00 H new ATOM 0 HB THR A 57 -3.541 -10.544 -2.119 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.731 -9.298 0.211 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.315 -11.595 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.751 -12.386 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.412 -11.230 0.723 1.00 0.00 H new ATOM 973 N GLU A 58 -0.934 -12.074 -0.008 1.00 0.00 N ATOM 974 CA GLU A 58 0.004 -13.152 -0.269 1.00 0.00 C ATOM 975 C GLU A 58 -0.743 -14.476 -0.440 1.00 0.00 C ATOM 976 O GLU A 58 -1.913 -14.584 -0.078 1.00 0.00 O ATOM 977 CB GLU A 58 1.049 -13.251 0.845 1.00 0.00 C ATOM 978 CG GLU A 58 1.955 -12.018 0.858 1.00 0.00 C ATOM 979 CD GLU A 58 3.415 -12.408 0.618 1.00 0.00 C ATOM 980 OE1 GLU A 58 3.676 -12.998 -0.453 1.00 0.00 O ATOM 981 OE2 GLU A 58 4.237 -12.108 1.510 1.00 0.00 O ATOM 0 H GLU A 58 -1.365 -12.099 0.916 1.00 0.00 H new ATOM 0 HA GLU A 58 0.531 -12.933 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.550 -13.350 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.652 -14.148 0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.631 -11.316 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.864 -11.506 1.816 1.00 0.00 H new ATOM 988 N TYR A 59 -0.035 -15.451 -0.991 1.00 0.00 N ATOM 989 CA TYR A 59 -0.616 -16.764 -1.215 1.00 0.00 C ATOM 990 C TYR A 59 0.121 -17.834 -0.408 1.00 0.00 C ATOM 991 O TYR A 59 1.219 -18.249 -0.777 1.00 0.00 O ATOM 992 CB TYR A 59 -0.440 -17.055 -2.706 1.00 0.00 C ATOM 993 CG TYR A 59 -1.575 -17.879 -3.318 1.00 0.00 C ATOM 994 CD1 TYR A 59 -2.678 -17.245 -3.852 1.00 0.00 C ATOM 995 CD2 TYR A 59 -1.495 -19.257 -3.335 1.00 0.00 C ATOM 996 CE1 TYR A 59 -3.746 -18.021 -4.427 1.00 0.00 C ATOM 997 CE2 TYR A 59 -2.563 -20.033 -3.910 1.00 0.00 C ATOM 998 CZ TYR A 59 -3.636 -19.376 -4.428 1.00 0.00 C ATOM 999 OH TYR A 59 -4.644 -20.109 -4.972 1.00 0.00 O ATOM 0 H TYR A 59 0.936 -15.358 -1.289 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.662 -16.778 -0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.361 -16.110 -3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.501 -17.586 -2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.740 -16.167 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.631 -19.753 -2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.615 -17.537 -4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.513 -21.112 -3.930 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.429 -21.063 -4.904 1.00 0.00 H new ATOM 1009 N GLY A 60 -0.512 -18.252 0.679 1.00 0.00 N ATOM 1010 CA GLY A 60 0.070 -19.266 1.541 1.00 0.00 C ATOM 1011 C GLY A 60 -0.400 -19.093 2.986 1.00 0.00 C ATOM 1012 O GLY A 60 -0.362 -20.038 3.773 1.00 0.00 O ATOM 0 H GLY A 60 -1.423 -17.906 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.207 -20.257 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.157 -19.204 1.499 1.00 0.00 H new ATOM 1016 N MET A 61 -0.833 -17.879 3.293 1.00 0.00 N ATOM 1017 CA MET A 61 -1.310 -17.569 4.630 1.00 0.00 C ATOM 1018 C MET A 61 -2.506 -16.616 4.578 1.00 0.00 C ATOM 1019 O MET A 61 -2.878 -16.026 5.591 1.00 0.00 O ATOM 1020 CB MET A 61 -0.181 -16.929 5.440 1.00 0.00 C ATOM 1021 CG MET A 61 0.303 -15.637 4.779 1.00 0.00 C ATOM 1022 SD MET A 61 2.086 -15.565 4.814 1.00 0.00 S ATOM 1023 CE MET A 61 2.371 -14.311 3.576 1.00 0.00 C ATOM 0 H MET A 61 -0.863 -17.098 2.638 1.00 0.00 H new ATOM 0 HA MET A 61 -1.629 -18.496 5.106 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.529 -16.716 6.451 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.649 -17.629 5.530 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.051 -15.591 3.749 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.114 -14.774 5.298 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.345 -13.850 3.742 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.349 -14.766 2.586 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.594 -13.550 3.643 1.00 0.00 H new ATOM 1033 N GLN A 62 -3.075 -16.496 3.388 1.00 0.00 N ATOM 1034 CA GLN A 62 -4.221 -15.624 3.191 1.00 0.00 C ATOM 1035 C GLN A 62 -4.070 -14.352 4.028 1.00 0.00 C ATOM 1036 O GLN A 62 -4.895 -14.075 4.897 1.00 0.00 O ATOM 1037 CB GLN A 62 -5.526 -16.349 3.527 1.00 0.00 C ATOM 1038 CG GLN A 62 -5.883 -17.366 2.441 1.00 0.00 C ATOM 1039 CD GLN A 62 -5.429 -18.773 2.835 1.00 0.00 C ATOM 1040 OE1 GLN A 62 -4.791 -19.483 2.076 1.00 0.00 O ATOM 1041 NE2 GLN A 62 -5.792 -19.134 4.063 1.00 0.00 N ATOM 0 H GLN A 62 -2.764 -16.988 2.550 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.261 -15.341 2.139 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.428 -16.856 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.333 -15.624 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.960 -17.361 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.413 -17.079 1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.326 -18.490 4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.536 -20.054 4.421 1.00 0.00 H new ATOM 1050 N GLU A 63 -3.010 -13.612 3.736 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.741 -12.376 4.451 1.00 0.00 C ATOM 1052 C GLU A 63 -2.762 -11.189 3.485 1.00 0.00 C ATOM 1053 O GLU A 63 -2.516 -11.352 2.291 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.407 -12.453 5.195 1.00 0.00 C ATOM 1055 CG GLU A 63 -1.561 -13.200 6.521 1.00 0.00 C ATOM 1056 CD GLU A 63 -0.250 -13.194 7.310 1.00 0.00 C ATOM 1057 OE1 GLU A 63 0.277 -12.081 7.526 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.196 -14.301 7.680 1.00 0.00 O ATOM 0 H GLU A 63 -2.328 -13.845 3.014 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.526 -12.230 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.668 -12.958 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.032 -11.447 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.349 -12.736 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.870 -14.228 6.330 1.00 0.00 H new ATOM 1065 N SER A 64 -3.059 -10.023 4.038 1.00 0.00 N ATOM 1066 CA SER A 64 -3.116 -8.809 3.241 1.00 0.00 C ATOM 1067 C SER A 64 -2.661 -7.612 4.077 1.00 0.00 C ATOM 1068 O SER A 64 -3.243 -7.322 5.121 1.00 0.00 O ATOM 1069 CB SER A 64 -4.527 -8.572 2.699 1.00 0.00 C ATOM 1070 OG SER A 64 -5.128 -9.776 2.230 1.00 0.00 O ATOM 0 H SER A 64 -3.263 -9.893 5.029 1.00 0.00 H new ATOM 0 HA SER A 64 -2.444 -8.926 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.148 -8.138 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.486 -7.847 1.886 1.00 0.00 H new ATOM 0 HG SER A 64 -5.667 -10.173 2.946 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.624 -6.949 3.587 1.00 0.00 N ATOM 1077 CA LYS A 65 -1.083 -5.789 4.276 1.00 0.00 C ATOM 1078 C LYS A 65 -1.196 -4.563 3.368 1.00 0.00 C ATOM 1079 O LYS A 65 -1.035 -4.669 2.153 1.00 0.00 O ATOM 1080 CB LYS A 65 0.342 -6.068 4.758 1.00 0.00 C ATOM 1081 CG LYS A 65 1.363 -5.749 3.665 1.00 0.00 C ATOM 1082 CD LYS A 65 2.792 -5.872 4.196 1.00 0.00 C ATOM 1083 CE LYS A 65 3.258 -7.329 4.186 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.513 -7.782 2.800 1.00 0.00 N ATOM 0 H LYS A 65 -1.144 -7.193 2.721 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.662 -5.575 5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.554 -5.470 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.432 -7.114 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.224 -6.428 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.196 -4.739 3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.463 -5.268 3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.842 -5.478 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.166 -7.431 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.501 -7.962 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.132 -8.618 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.611 -8.027 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.976 -7.019 2.265 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.471 -3.427 3.992 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.607 -2.182 3.255 1.00 0.00 C ATOM 1100 C GLY A 66 -1.544 -0.978 4.197 1.00 0.00 C ATOM 1101 O GLY A 66 -2.044 -1.036 5.319 1.00 0.00 O ATOM 0 H GLY A 66 -1.603 -3.343 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.815 -2.108 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.554 -2.177 2.715 1.00 0.00 H new ATOM 1105 N TYR A 67 -0.925 0.085 3.706 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.790 1.301 4.489 1.00 0.00 C ATOM 1107 C TYR A 67 -1.995 2.221 4.286 1.00 0.00 C ATOM 1108 O TYR A 67 -2.447 2.419 3.159 1.00 0.00 O ATOM 1109 CB TYR A 67 0.466 2.002 3.966 1.00 0.00 C ATOM 1110 CG TYR A 67 1.495 2.326 5.051 1.00 0.00 C ATOM 1111 CD1 TYR A 67 1.136 3.104 6.133 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.783 1.841 4.947 1.00 0.00 C ATOM 1113 CE1 TYR A 67 2.104 3.409 7.154 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.751 2.146 5.968 1.00 0.00 C ATOM 1115 CZ TYR A 67 3.364 2.915 7.021 1.00 0.00 C ATOM 1116 OH TYR A 67 4.279 3.203 7.985 1.00 0.00 O ATOM 0 H TYR A 67 -0.511 0.129 2.775 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.727 1.068 5.552 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.935 1.370 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.173 2.927 3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.128 3.484 6.214 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.065 1.233 4.100 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.836 4.016 8.006 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.762 1.772 5.899 1.00 0.00 H new ATOM 0 HH TYR A 67 5.135 2.783 7.759 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.482 2.759 5.395 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.626 3.653 5.353 1.00 0.00 C ATOM 1128 C ALA A 68 -3.184 5.060 5.760 1.00 0.00 C ATOM 1129 O ALA A 68 -2.147 5.228 6.400 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.735 3.107 6.255 1.00 0.00 C ATOM 0 H ALA A 68 -2.105 2.593 6.328 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.028 3.713 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.593 3.778 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.034 2.119 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.369 3.035 7.279 1.00 0.00 H new ATOM 1136 N LYS A 69 -3.992 6.036 5.371 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.697 7.423 5.688 1.00 0.00 C ATOM 1138 C LYS A 69 -4.887 8.037 6.427 1.00 0.00 C ATOM 1139 O LYS A 69 -5.961 8.204 5.851 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.297 8.187 4.424 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.966 7.674 3.871 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.788 8.078 2.406 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.319 6.991 1.469 1.00 0.00 C ATOM 1144 NZ LYS A 69 -2.881 7.595 0.241 1.00 0.00 N ATOM 0 H LYS A 69 -4.851 5.893 4.839 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.839 7.487 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.075 8.079 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.216 9.251 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.144 8.073 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.925 6.588 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.313 9.014 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.733 8.257 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.515 6.303 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.086 6.407 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.237 6.844 -0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.662 8.234 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.140 8.133 -0.252 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.656 8.358 7.692 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.696 8.950 8.516 1.00 0.00 C ATOM 1160 C LEU A 70 -5.466 10.460 8.612 1.00 0.00 C ATOM 1161 O LEU A 70 -4.404 10.903 9.046 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.766 8.251 9.875 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.619 8.941 10.941 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -8.000 9.301 10.389 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.713 8.086 12.206 1.00 0.00 C ATOM 0 H LEU A 70 -3.764 8.219 8.166 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.674 8.804 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.154 7.244 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.752 8.147 10.261 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.129 9.874 11.219 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.586 9.790 11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.888 9.976 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.511 8.394 10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.325 8.600 12.948 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.167 7.125 11.963 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.714 7.923 12.610 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.479 11.208 8.199 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.401 12.658 8.233 1.00 0.00 C ATOM 1179 C TYR A 71 -7.349 13.233 9.288 1.00 0.00 C ATOM 1180 O TYR A 71 -8.224 12.531 9.791 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.846 13.137 6.850 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.945 12.662 5.708 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.909 11.325 5.368 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.168 13.571 5.018 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -5.061 10.878 4.293 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.320 13.124 3.944 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.308 11.800 3.634 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.508 11.378 2.619 1.00 0.00 O ATOM 0 H TYR A 71 -7.358 10.837 7.839 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.391 12.982 8.483 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.863 12.789 6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.876 14.227 6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.517 10.614 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.196 14.617 5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.024 9.835 4.016 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.707 13.825 3.397 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.030 12.144 2.239 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.142 14.507 9.591 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.967 15.185 10.577 1.00 0.00 C ATOM 1200 C GLU A 72 -9.235 15.734 9.920 1.00 0.00 C ATOM 1201 O GLU A 72 -10.317 15.671 10.502 1.00 0.00 O ATOM 1202 CB GLU A 72 -7.184 16.299 11.274 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.570 15.801 12.583 1.00 0.00 C ATOM 1204 CD GLU A 72 -7.005 16.676 13.761 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -7.024 17.911 13.573 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -7.308 16.089 14.822 1.00 0.00 O ATOM 0 H GLU A 72 -6.415 15.087 9.171 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.259 14.461 11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.396 16.663 10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.845 17.142 11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.872 14.769 12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.483 15.806 12.504 1.00 0.00 H new ATOM 1213 N ASP A 73 -9.060 16.259 8.716 1.00 0.00 N ATOM 1214 CA ASP A 73 -10.177 16.818 7.974 1.00 0.00 C ATOM 1215 C ASP A 73 -10.100 16.354 6.518 1.00 0.00 C ATOM 1216 O ASP A 73 -9.048 15.914 6.058 1.00 0.00 O ATOM 1217 CB ASP A 73 -10.135 18.348 7.986 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.535 18.996 9.313 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -10.648 18.239 10.302 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -10.717 20.232 9.309 1.00 0.00 O ATOM 0 H ASP A 73 -8.161 16.309 8.236 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.099 16.479 8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.125 18.671 7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.796 18.721 7.203 1.00 0.00 H new ATOM 1225 N ALA A 74 -11.229 16.469 5.834 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.302 16.067 4.439 1.00 0.00 C ATOM 1227 C ALA A 74 -10.679 17.157 3.565 1.00 0.00 C ATOM 1228 O ALA A 74 -10.017 16.858 2.572 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.759 15.783 4.066 1.00 0.00 C ATOM 0 H ALA A 74 -12.100 16.834 6.219 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.737 15.149 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.815 15.481 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.146 14.982 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.355 16.683 4.216 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.912 18.398 3.966 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.382 19.534 3.231 1.00 0.00 C ATOM 1237 C ASP A 75 -8.868 19.374 3.077 1.00 0.00 C ATOM 1238 O ASP A 75 -8.327 19.569 1.990 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.646 20.844 3.976 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.059 22.020 3.090 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -10.560 22.072 1.945 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -11.866 22.842 3.577 1.00 0.00 O ATOM 0 H ASP A 75 -11.461 18.642 4.791 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.875 19.567 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.429 20.673 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.745 21.120 4.524 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.227 19.022 4.182 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.786 18.834 4.183 1.00 0.00 C ATOM 1249 C ARG A 76 -6.383 17.811 3.119 1.00 0.00 C ATOM 1250 O ARG A 76 -5.490 18.067 2.314 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.295 18.357 5.551 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.660 19.506 6.337 1.00 0.00 C ATOM 1253 CD ARG A 76 -6.618 20.695 6.439 1.00 0.00 C ATOM 1254 NE ARG A 76 -7.286 20.694 7.760 1.00 0.00 N ATOM 1255 CZ ARG A 76 -6.689 21.057 8.904 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -5.409 21.450 8.896 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -7.373 21.025 10.056 1.00 0.00 N ATOM 0 H ARG A 76 -8.679 18.862 5.082 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.326 19.796 3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.129 17.942 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.568 17.555 5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.392 19.163 7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.737 19.819 5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.070 21.627 6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.363 20.642 5.645 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.261 20.399 7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.888 21.473 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.955 21.726 9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.348 20.724 10.062 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.919 21.301 10.927 1.00 0.00 H new ATOM 1271 N MET A 77 -7.062 16.673 3.150 1.00 0.00 N ATOM 1272 CA MET A 77 -6.786 15.611 2.198 1.00 0.00 C ATOM 1273 C MET A 77 -6.824 16.138 0.762 1.00 0.00 C ATOM 1274 O MET A 77 -6.047 15.700 -0.084 1.00 0.00 O ATOM 1275 CB MET A 77 -7.822 14.497 2.361 1.00 0.00 C ATOM 1276 CG MET A 77 -7.804 13.550 1.160 1.00 0.00 C ATOM 1277 SD MET A 77 -8.122 11.878 1.695 1.00 0.00 S ATOM 1278 CE MET A 77 -9.752 12.081 2.394 1.00 0.00 C ATOM 0 H MET A 77 -7.802 16.464 3.820 1.00 0.00 H new ATOM 0 HA MET A 77 -5.787 15.222 2.396 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.618 13.937 3.273 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.815 14.933 2.470 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.556 13.857 0.433 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.837 13.603 0.660 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.744 11.757 3.435 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.042 13.130 2.343 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.466 11.479 1.832 1.00 0.00 H new ATOM 1288 N LYS A 78 -7.738 17.070 0.532 1.00 0.00 N ATOM 1289 CA LYS A 78 -7.887 17.661 -0.787 1.00 0.00 C ATOM 1290 C LYS A 78 -6.640 18.482 -1.118 1.00 0.00 C ATOM 1291 O LYS A 78 -5.973 18.228 -2.119 1.00 0.00 O ATOM 1292 CB LYS A 78 -9.190 18.460 -0.871 1.00 0.00 C ATOM 1293 CG LYS A 78 -10.387 17.601 -0.459 1.00 0.00 C ATOM 1294 CD LYS A 78 -11.644 18.007 -1.231 1.00 0.00 C ATOM 1295 CE LYS A 78 -11.693 17.322 -2.598 1.00 0.00 C ATOM 1296 NZ LYS A 78 -12.843 17.819 -3.386 1.00 0.00 N ATOM 0 H LYS A 78 -8.382 17.430 1.236 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.967 16.883 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.126 19.335 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.332 18.825 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.166 16.550 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.563 17.706 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.530 17.741 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.661 19.089 -1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.766 17.510 -3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.773 16.243 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.861 17.344 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.727 17.618 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.750 18.845 -3.526 1.00 0.00 H new ATOM 1310 N GLN A 79 -6.362 19.451 -0.257 1.00 0.00 N ATOM 1311 CA GLN A 79 -5.206 20.311 -0.446 1.00 0.00 C ATOM 1312 C GLN A 79 -3.922 19.479 -0.455 1.00 0.00 C ATOM 1313 O GLN A 79 -2.983 19.790 -1.186 1.00 0.00 O ATOM 1314 CB GLN A 79 -5.149 21.396 0.631 1.00 0.00 C ATOM 1315 CG GLN A 79 -6.086 22.556 0.291 1.00 0.00 C ATOM 1316 CD GLN A 79 -6.402 23.389 1.535 1.00 0.00 C ATOM 1317 OE1 GLN A 79 -6.008 24.536 1.662 1.00 0.00 O ATOM 1318 NE2 GLN A 79 -7.134 22.749 2.443 1.00 0.00 N ATOM 0 H GLN A 79 -6.917 19.659 0.573 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.300 20.808 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.426 20.971 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.128 21.765 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.626 23.189 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.011 22.168 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.431 21.788 2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.398 23.219 3.309 1.00 0.00 H new ATOM 1327 N VAL A 80 -3.923 18.438 0.364 1.00 0.00 N ATOM 1328 CA VAL A 80 -2.769 17.560 0.459 1.00 0.00 C ATOM 1329 C VAL A 80 -2.549 16.866 -0.887 1.00 0.00 C ATOM 1330 O VAL A 80 -1.430 16.830 -1.395 1.00 0.00 O ATOM 1331 CB VAL A 80 -2.955 16.576 1.616 1.00 0.00 C ATOM 1332 CG1 VAL A 80 -1.823 15.547 1.647 1.00 0.00 C ATOM 1333 CG2 VAL A 80 -3.062 17.313 2.952 1.00 0.00 C ATOM 0 H VAL A 80 -4.704 18.183 0.968 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.869 18.134 0.679 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.891 16.041 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.979 14.860 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.813 14.988 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.869 16.059 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.194 16.590 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.152 17.887 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.917 17.988 2.928 1.00 0.00 H new ATOM 1343 N GLU A 81 -3.636 16.333 -1.425 1.00 0.00 N ATOM 1344 CA GLU A 81 -3.576 15.642 -2.702 1.00 0.00 C ATOM 1345 C GLU A 81 -3.319 16.640 -3.834 1.00 0.00 C ATOM 1346 O GLU A 81 -3.109 16.244 -4.979 1.00 0.00 O ATOM 1347 CB GLU A 81 -4.857 14.844 -2.955 1.00 0.00 C ATOM 1348 CG GLU A 81 -4.535 13.438 -3.466 1.00 0.00 C ATOM 1349 CD GLU A 81 -4.705 13.354 -4.984 1.00 0.00 C ATOM 1350 OE1 GLU A 81 -5.730 13.880 -5.470 1.00 0.00 O ATOM 1351 OE2 GLU A 81 -3.806 12.767 -5.624 1.00 0.00 O ATOM 0 H GLU A 81 -4.563 16.366 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.747 14.935 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.436 14.776 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.477 15.366 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.512 13.174 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.189 12.713 -2.983 1.00 0.00 H new ATOM 1358 N GLN A 82 -3.345 17.914 -3.473 1.00 0.00 N ATOM 1359 CA GLN A 82 -3.118 18.972 -4.443 1.00 0.00 C ATOM 1360 C GLN A 82 -1.618 19.200 -4.638 1.00 0.00 C ATOM 1361 O GLN A 82 -1.212 20.005 -5.475 1.00 0.00 O ATOM 1362 CB GLN A 82 -3.818 20.264 -4.020 1.00 0.00 C ATOM 1363 CG GLN A 82 -4.625 20.856 -5.178 1.00 0.00 C ATOM 1364 CD GLN A 82 -3.836 21.957 -5.889 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -2.679 22.215 -5.598 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -4.524 22.592 -6.834 1.00 0.00 N ATOM 0 H GLN A 82 -3.520 18.238 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.546 18.662 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.479 20.064 -3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.078 20.988 -3.680 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.879 20.069 -5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.564 21.262 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.490 22.326 -7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.086 23.345 -7.365 1.00 0.00 H new ATOM 1375 N GLU A 83 -0.834 18.476 -3.852 1.00 0.00 N ATOM 1376 CA GLU A 83 0.612 18.589 -3.928 1.00 0.00 C ATOM 1377 C GLU A 83 1.142 17.821 -5.141 1.00 0.00 C ATOM 1378 O GLU A 83 2.130 18.225 -5.752 1.00 0.00 O ATOM 1379 CB GLU A 83 1.269 18.096 -2.637 1.00 0.00 C ATOM 1380 CG GLU A 83 1.265 16.568 -2.569 1.00 0.00 C ATOM 1381 CD GLU A 83 1.543 16.082 -1.144 1.00 0.00 C ATOM 1382 OE1 GLU A 83 2.495 16.618 -0.538 1.00 0.00 O ATOM 1383 OE2 GLU A 83 0.796 15.186 -0.695 1.00 0.00 O ATOM 0 H GLU A 83 -1.174 17.809 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 83 0.869 19.641 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.294 18.463 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.739 18.503 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.300 16.188 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.019 16.168 -3.247 1.00 0.00 H new ATOM 1390 N TYR A 84 0.462 16.728 -5.452 1.00 0.00 N ATOM 1391 CA TYR A 84 0.852 15.900 -6.580 1.00 0.00 C ATOM 1392 C TYR A 84 -0.144 16.041 -7.734 1.00 0.00 C ATOM 1393 O TYR A 84 -0.330 15.110 -8.516 1.00 0.00 O ATOM 1394 CB TYR A 84 0.825 14.456 -6.073 1.00 0.00 C ATOM 1395 CG TYR A 84 2.052 13.634 -6.473 1.00 0.00 C ATOM 1396 CD1 TYR A 84 3.265 13.862 -5.857 1.00 0.00 C ATOM 1397 CD2 TYR A 84 1.944 12.664 -7.448 1.00 0.00 C ATOM 1398 CE1 TYR A 84 4.420 13.088 -6.233 1.00 0.00 C ATOM 1399 CE2 TYR A 84 3.099 11.889 -7.824 1.00 0.00 C ATOM 1400 CZ TYR A 84 4.280 12.140 -7.197 1.00 0.00 C ATOM 1401 OH TYR A 84 5.370 11.409 -7.552 1.00 0.00 O ATOM 0 H TYR A 84 -0.357 16.396 -4.942 1.00 0.00 H new ATOM 0 HA TYR A 84 1.834 16.195 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.745 14.465 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.070 13.964 -6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.349 14.621 -5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.994 12.486 -7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.376 13.257 -5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.029 11.127 -8.586 1.00 0.00 H new ATOM 0 HH TYR A 84 5.121 10.769 -8.251 1.00 0.00 H new ATOM 1411 N VAL A 85 -0.757 17.214 -7.803 1.00 0.00 N ATOM 1412 CA VAL A 85 -1.729 17.489 -8.848 1.00 0.00 C ATOM 1413 C VAL A 85 -0.998 17.970 -10.103 1.00 0.00 C ATOM 1414 O VAL A 85 0.140 17.577 -10.352 1.00 0.00 O ATOM 1415 CB VAL A 85 -2.771 18.489 -8.343 1.00 0.00 C ATOM 1416 CG1 VAL A 85 -2.260 19.925 -8.471 1.00 0.00 C ATOM 1417 CG2 VAL A 85 -4.101 18.312 -9.078 1.00 0.00 C ATOM 0 H VAL A 85 -0.600 17.984 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.271 16.582 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.943 18.289 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.020 20.616 -8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.350 20.041 -7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.045 20.143 -9.517 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.824 19.035 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.951 18.473 -10.146 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.477 17.302 -8.912 1.00 0.00 H new ATOM 1427 N LEU A 86 -1.684 18.813 -10.861 1.00 0.00 N ATOM 1428 CA LEU A 86 -1.114 19.352 -12.085 1.00 0.00 C ATOM 1429 C LEU A 86 0.124 20.183 -11.743 1.00 0.00 C ATOM 1430 O LEU A 86 0.014 21.367 -11.430 1.00 0.00 O ATOM 1431 CB LEU A 86 -2.174 20.123 -12.875 1.00 0.00 C ATOM 1432 CG LEU A 86 -2.789 21.333 -12.168 1.00 0.00 C ATOM 1433 CD1 LEU A 86 -2.480 22.626 -12.926 1.00 0.00 C ATOM 1434 CD2 LEU A 86 -4.291 21.139 -11.955 1.00 0.00 C ATOM 0 H LEU A 86 -2.629 19.136 -10.652 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.785 18.545 -12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.727 20.462 -13.810 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.977 19.433 -13.137 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.333 21.420 -11.182 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.928 23.471 -12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.400 22.766 -12.982 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.891 22.564 -13.934 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.703 22.013 -11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.782 21.012 -12.920 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.460 20.254 -11.342 1.00 0.00 H new ATOM 1446 N LYS A 87 1.274 19.530 -11.816 1.00 0.00 N ATOM 1447 CA LYS A 87 2.532 20.194 -11.519 1.00 0.00 C ATOM 1448 C LYS A 87 3.177 20.664 -12.824 1.00 0.00 C ATOM 1449 O LYS A 87 2.808 20.204 -13.903 1.00 0.00 O ATOM 1450 CB LYS A 87 3.433 19.284 -10.680 1.00 0.00 C ATOM 1451 CG LYS A 87 3.924 18.091 -11.502 1.00 0.00 C ATOM 1452 CD LYS A 87 4.099 16.853 -10.620 1.00 0.00 C ATOM 1453 CE LYS A 87 2.810 16.031 -10.567 1.00 0.00 C ATOM 1454 NZ LYS A 87 2.991 14.737 -11.264 1.00 0.00 N ATOM 0 H LYS A 87 1.361 18.548 -12.077 1.00 0.00 H new ATOM 0 HA LYS A 87 2.360 21.082 -10.911 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.287 19.852 -10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.885 18.928 -9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.212 17.876 -12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.872 18.339 -11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.911 16.238 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.382 17.157 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.526 15.855 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.996 16.589 -11.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.107 14.192 -11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.240 14.910 -12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.753 14.199 -10.805 1.00 0.00 H new ATOM 1468 N ARG A 88 4.129 21.574 -12.682 1.00 0.00 N ATOM 1469 CA ARG A 88 4.829 22.112 -13.836 1.00 0.00 C ATOM 1470 C ARG A 88 6.244 21.535 -13.916 1.00 0.00 C ATOM 1471 O ARG A 88 6.714 20.903 -12.971 1.00 0.00 O ATOM 1472 CB ARG A 88 4.910 23.638 -13.770 1.00 0.00 C ATOM 1473 CG ARG A 88 5.340 24.224 -15.116 1.00 0.00 C ATOM 1474 CD ARG A 88 4.837 25.660 -15.275 1.00 0.00 C ATOM 1475 NE ARG A 88 3.360 25.673 -15.358 1.00 0.00 N ATOM 1476 CZ ARG A 88 2.620 26.788 -15.420 1.00 0.00 C ATOM 1477 NH1 ARG A 88 3.216 27.988 -15.408 1.00 0.00 N ATOM 1478 NH2 ARG A 88 1.285 26.704 -15.494 1.00 0.00 N ATOM 0 H ARG A 88 4.432 21.953 -11.785 1.00 0.00 H new ATOM 0 HA ARG A 88 4.267 21.828 -14.726 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.940 24.045 -13.486 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.619 23.935 -12.997 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.427 24.205 -15.194 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.951 23.607 -15.926 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.167 26.265 -14.431 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.264 26.106 -16.173 1.00 0.00 H new ATOM 0 HE ARG A 88 2.874 24.776 -15.369 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.232 28.052 -15.352 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.653 28.837 -15.455 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.831 25.791 -15.503 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.722 27.553 -15.541 1.00 0.00 H new ATOM 1492 N ASN A 89 6.883 21.773 -15.051 1.00 0.00 N ATOM 1493 CA ASN A 89 8.235 21.285 -15.266 1.00 0.00 C ATOM 1494 C ASN A 89 8.983 22.256 -16.181 1.00 0.00 C ATOM 1495 O ASN A 89 9.620 21.838 -17.147 1.00 0.00 O ATOM 1496 CB ASN A 89 8.224 19.912 -15.941 1.00 0.00 C ATOM 1497 CG ASN A 89 7.204 18.984 -15.279 1.00 0.00 C ATOM 1498 OD1 ASN A 89 7.325 18.608 -14.125 1.00 0.00 O ATOM 1499 ND2 ASN A 89 6.194 18.637 -16.071 1.00 0.00 N ATOM 0 H ASN A 89 6.490 22.298 -15.832 1.00 0.00 H new ATOM 0 HA ASN A 89 8.723 21.205 -14.295 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.986 20.025 -16.999 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.217 19.467 -15.884 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.460 18.020 -15.722 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.153 18.987 -17.028 1.00 0.00 H new ATOM 1506 N ALA A 90 8.881 23.534 -15.846 1.00 0.00 N ATOM 1507 CA ALA A 90 9.541 24.567 -16.625 1.00 0.00 C ATOM 1508 C ALA A 90 9.658 25.839 -15.783 1.00 0.00 C ATOM 1509 O ALA A 90 8.658 26.353 -15.286 1.00 0.00 O ATOM 1510 CB ALA A 90 8.767 24.799 -17.925 1.00 0.00 C ATOM 0 H ALA A 90 8.351 23.877 -15.045 1.00 0.00 H new ATOM 0 HA ALA A 90 10.550 24.257 -16.896 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.262 25.574 -18.510 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.737 23.874 -18.501 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.750 25.114 -17.692 1.00 0.00 H new ATOM 1516 N VAL A 91 10.890 26.310 -15.648 1.00 0.00 N ATOM 1517 CA VAL A 91 11.151 27.512 -14.874 1.00 0.00 C ATOM 1518 C VAL A 91 10.724 28.737 -15.684 1.00 0.00 C ATOM 1519 O VAL A 91 10.890 28.769 -16.903 1.00 0.00 O ATOM 1520 CB VAL A 91 12.622 27.555 -14.455 1.00 0.00 C ATOM 1521 CG1 VAL A 91 12.969 28.898 -13.811 1.00 0.00 C ATOM 1522 CG2 VAL A 91 12.958 26.394 -13.517 1.00 0.00 C ATOM 0 H VAL A 91 11.718 25.881 -16.062 1.00 0.00 H new ATOM 0 HA VAL A 91 10.565 27.510 -13.955 1.00 0.00 H new ATOM 0 HB VAL A 91 13.230 27.447 -15.353 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.020 28.902 -13.522 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.785 29.702 -14.524 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.349 29.048 -12.927 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.009 26.447 -13.234 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.338 26.457 -12.623 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.767 25.449 -14.025 1.00 0.00 H new ATOM 1532 N PRO A 92 10.169 29.743 -14.956 1.00 0.00 N ATOM 1533 CA PRO A 92 9.717 30.968 -15.594 1.00 0.00 C ATOM 1534 C PRO A 92 10.902 31.855 -15.978 1.00 0.00 C ATOM 1535 O PRO A 92 12.054 31.433 -15.886 1.00 0.00 O ATOM 1536 CB PRO A 92 8.790 31.620 -14.581 1.00 0.00 C ATOM 1537 CG PRO A 92 9.120 30.980 -13.242 1.00 0.00 C ATOM 1538 CD PRO A 92 9.956 29.740 -13.511 1.00 0.00 C ATOM 0 HA PRO A 92 9.194 30.786 -16.533 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.945 32.698 -14.547 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.745 31.456 -14.845 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.667 31.679 -12.609 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.206 30.716 -12.710 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.902 29.776 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.439 28.836 -13.189 1.00 0.00 H new ATOM 1546 N GLY A 93 10.579 33.068 -16.401 1.00 0.00 N ATOM 1547 CA GLY A 93 11.603 34.019 -16.801 1.00 0.00 C ATOM 1548 C GLY A 93 11.854 35.050 -15.698 1.00 0.00 C ATOM 1549 O GLY A 93 12.823 34.938 -14.948 1.00 0.00 O ATOM 0 H GLY A 93 9.623 33.415 -16.476 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.529 33.489 -17.026 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.296 34.527 -17.715 1.00 0.00 H new ATOM 1553 N SER A 94 10.965 36.030 -15.635 1.00 0.00 N ATOM 1554 CA SER A 94 11.078 37.079 -14.636 1.00 0.00 C ATOM 1555 C SER A 94 12.240 38.011 -14.986 1.00 0.00 C ATOM 1556 O SER A 94 13.396 37.591 -14.997 1.00 0.00 O ATOM 1557 CB SER A 94 11.272 36.490 -13.238 1.00 0.00 C ATOM 1558 OG SER A 94 11.065 37.462 -12.216 1.00 0.00 O ATOM 0 H SER A 94 10.163 36.120 -16.259 1.00 0.00 H new ATOM 0 HA SER A 94 10.150 37.651 -14.633 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.580 35.660 -13.095 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.280 36.083 -13.153 1.00 0.00 H new ATOM 0 HG SER A 94 11.196 37.047 -11.338 1.00 0.00 H new ATOM 1564 N GLU A 95 11.892 39.259 -15.263 1.00 0.00 N ATOM 1565 CA GLU A 95 12.892 40.254 -15.613 1.00 0.00 C ATOM 1566 C GLU A 95 12.233 41.619 -15.820 1.00 0.00 C ATOM 1567 O GLU A 95 11.100 41.700 -16.293 1.00 0.00 O ATOM 1568 CB GLU A 95 13.677 39.830 -16.855 1.00 0.00 C ATOM 1569 CG GLU A 95 15.086 40.427 -16.844 1.00 0.00 C ATOM 1570 CD GLU A 95 15.312 41.322 -18.065 1.00 0.00 C ATOM 1571 OE1 GLU A 95 14.748 40.984 -19.128 1.00 0.00 O ATOM 1572 OE2 GLU A 95 16.043 42.323 -17.907 1.00 0.00 O ATOM 0 H GLU A 95 10.932 39.604 -15.252 1.00 0.00 H new ATOM 0 HA GLU A 95 13.599 40.335 -14.788 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.739 38.743 -16.896 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.148 40.153 -17.752 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.232 41.006 -15.932 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.824 39.625 -16.835 1.00 0.00 H new ATOM 1579 N THR A 96 12.970 42.658 -15.456 1.00 0.00 N ATOM 1580 CA THR A 96 12.471 44.016 -15.596 1.00 0.00 C ATOM 1581 C THR A 96 13.498 45.019 -15.067 1.00 0.00 C ATOM 1582 O THR A 96 14.044 44.838 -13.980 1.00 0.00 O ATOM 1583 CB THR A 96 11.119 44.098 -14.884 1.00 0.00 C ATOM 1584 OG1 THR A 96 10.896 45.496 -14.723 1.00 0.00 O ATOM 1585 CG2 THR A 96 11.176 43.562 -13.453 1.00 0.00 C ATOM 0 H THR A 96 13.909 42.587 -15.064 1.00 0.00 H new ATOM 0 HA THR A 96 12.320 44.276 -16.644 1.00 0.00 H new ATOM 0 HB THR A 96 10.376 43.537 -15.451 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.039 45.641 -14.270 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.191 43.644 -12.994 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.484 42.516 -13.468 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.895 44.143 -12.875 1.00 0.00 H new ATOM 1593 N GLU A 97 13.729 46.054 -15.860 1.00 0.00 N ATOM 1594 CA GLU A 97 14.681 47.086 -15.485 1.00 0.00 C ATOM 1595 C GLU A 97 14.703 48.196 -16.538 1.00 0.00 C ATOM 1596 O GLU A 97 14.354 47.966 -17.695 1.00 0.00 O ATOM 1597 CB GLU A 97 16.077 46.496 -15.281 1.00 0.00 C ATOM 1598 CG GLU A 97 16.880 47.323 -14.274 1.00 0.00 C ATOM 1599 CD GLU A 97 18.180 47.835 -14.898 1.00 0.00 C ATOM 1600 OE1 GLU A 97 18.133 48.943 -15.476 1.00 0.00 O ATOM 1601 OE2 GLU A 97 19.190 47.109 -14.782 1.00 0.00 O ATOM 0 H GLU A 97 13.274 46.201 -16.761 1.00 0.00 H new ATOM 0 HA GLU A 97 14.363 47.519 -14.536 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.993 45.468 -14.928 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.605 46.464 -16.234 1.00 0.00 H new ATOM 0 HG2 GLU A 97 16.281 48.166 -13.930 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.107 46.715 -13.398 1.00 0.00 H new ATOM 1608 N GLY A 98 15.117 49.376 -16.100 1.00 0.00 N ATOM 1609 CA GLY A 98 15.189 50.521 -16.991 1.00 0.00 C ATOM 1610 C GLY A 98 15.321 51.824 -16.199 1.00 0.00 C ATOM 1611 O GLY A 98 14.712 51.976 -15.141 1.00 0.00 O ATOM 0 H GLY A 98 15.406 49.564 -15.140 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.041 50.411 -17.662 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.295 50.559 -17.614 1.00 0.00 H new ATOM 1615 N GLU A 99 16.119 52.731 -16.742 1.00 0.00 N ATOM 1616 CA GLU A 99 16.338 54.016 -16.100 1.00 0.00 C ATOM 1617 C GLU A 99 17.200 54.914 -16.989 1.00 0.00 C ATOM 1618 O GLU A 99 18.153 54.447 -17.610 1.00 0.00 O ATOM 1619 CB GLU A 99 16.974 53.838 -14.720 1.00 0.00 C ATOM 1620 CG GLU A 99 16.649 55.024 -13.809 1.00 0.00 C ATOM 1621 CD GLU A 99 17.125 54.763 -12.379 1.00 0.00 C ATOM 1622 OE1 GLU A 99 18.317 55.033 -12.119 1.00 0.00 O ATOM 1623 OE2 GLU A 99 16.285 54.299 -11.578 1.00 0.00 O ATOM 0 H GLU A 99 16.622 52.602 -17.620 1.00 0.00 H new ATOM 0 HA GLU A 99 15.371 54.499 -15.959 1.00 0.00 H new ATOM 0 HB2 GLU A 99 16.612 52.916 -14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.055 53.740 -14.824 1.00 0.00 H new ATOM 0 HG2 GLU A 99 17.125 55.925 -14.196 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.574 55.205 -13.811 1.00 0.00 H new ATOM 1630 N GLU A 100 16.834 56.187 -17.022 1.00 0.00 N ATOM 1631 CA GLU A 100 17.562 57.155 -17.825 1.00 0.00 C ATOM 1632 C GLU A 100 17.449 58.550 -17.207 1.00 0.00 C ATOM 1633 O GLU A 100 16.353 59.099 -17.102 1.00 0.00 O ATOM 1634 CB GLU A 100 17.064 57.153 -19.271 1.00 0.00 C ATOM 1635 CG GLU A 100 18.202 57.470 -20.244 1.00 0.00 C ATOM 1636 CD GLU A 100 18.602 56.228 -21.042 1.00 0.00 C ATOM 1637 OE1 GLU A 100 17.903 55.944 -22.038 1.00 0.00 O ATOM 1638 OE2 GLU A 100 19.599 55.590 -20.638 1.00 0.00 O ATOM 0 H GLU A 100 16.043 56.571 -16.505 1.00 0.00 H new ATOM 0 HA GLU A 100 18.614 56.870 -17.838 1.00 0.00 H new ATOM 0 HB2 GLU A 100 16.637 56.179 -19.511 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.267 57.888 -19.386 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.892 58.261 -20.927 1.00 0.00 H new ATOM 0 HG3 GLU A 100 19.064 57.845 -19.692 1.00 0.00 H new ATOM 1645 N ALA A 101 18.596 59.084 -16.815 1.00 0.00 N ATOM 1646 CA ALA A 101 18.639 60.405 -16.210 1.00 0.00 C ATOM 1647 C ALA A 101 20.044 60.665 -15.664 1.00 0.00 C ATOM 1648 O ALA A 101 20.332 60.357 -14.508 1.00 0.00 O ATOM 1649 CB ALA A 101 17.564 60.505 -15.127 1.00 0.00 C ATOM 0 H ALA A 101 19.503 58.626 -16.904 1.00 0.00 H new ATOM 0 HA ALA A 101 18.426 61.175 -16.952 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.596 61.495 -14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.583 60.341 -15.572 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.746 59.750 -14.363 1.00 0.00 H new TER 1655 ALA A 101