USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 72 SER OG : rot -126:sc= 0.395 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0.593 USER MOD Set 2.1: A 74 ASN : amide:sc= -4.46! K(o=-9.4!,f=-5.2) USER MOD Set 2.2: A 96 GLN : amide:sc= -4.9 K(o=-9.4,f=-5.5!) USER MOD Set 3.1: A 51 ASN : amide:sc= -0.667 K(o=-1,f=-2.5!) USER MOD Set 3.2: B -1 TYR OH : rot 180:sc= -0.365 USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= 1.18 (180deg=0.154) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= 1.08 (180deg=0.58) USER MOD Single : A 26 GLN : amide:sc=-0.00656 X(o=-0.0066,f=-0.0017) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 50:sc= 0.0348 USER MOD Single : A 42 SER OG : rot 91:sc= 0.0445 USER MOD Single : A 46 THR OG1 : rot -173:sc= -1.62! USER MOD Single : A 52 MET CE :methyl -114:sc= -3.91! (180deg=-8.75!) USER MOD Single : A 53 MET CE :methyl -178:sc= -8! (180deg=-8.27!) USER MOD Single : A 54 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 120:sc= -0.106 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.3 X(o=-2.3,f=-2!) USER MOD Single : A 69 GLN : amide:sc= -9.49! C(o=-9.5!,f=-21!) USER MOD Single : A 71 MET CE :methyl -174:sc= -8.54! (180deg=-8.68!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00226 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -170:sc= -1.27 USER MOD Single : A 86 CYS SG : rot 73:sc= -0.244 USER MOD Single : A 87 GLN : amide:sc= -3.83 X(o=-3.8,f=-4!) USER MOD Single : A 88 SER OG : rot 73:sc= 1.21 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.0613 K(o=-0.061,f=-1.1) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -3.64 K(o=-3.6,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.145 -9.354 -9.108 1.00 0.00 N ATOM 2 CA GLU A 17 -14.721 -8.543 -10.243 1.00 0.00 C ATOM 3 C GLU A 17 -13.759 -7.444 -9.804 1.00 0.00 C ATOM 4 O GLU A 17 -14.177 -6.412 -9.279 1.00 0.00 O ATOM 5 CB GLU A 17 -15.938 -7.922 -10.933 1.00 0.00 C ATOM 6 CG GLU A 17 -15.721 -7.635 -12.409 1.00 0.00 C ATOM 7 CD GLU A 17 -16.488 -6.416 -12.884 1.00 0.00 C ATOM 8 OE1 GLU A 17 -16.146 -5.294 -12.453 1.00 0.00 O ATOM 9 OE2 GLU A 17 -17.429 -6.581 -13.687 1.00 0.00 O ATOM 0 HA GLU A 17 -14.201 -9.194 -10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.789 -8.594 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.198 -6.993 -10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.657 -7.485 -12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.027 -8.503 -12.993 1.00 0.00 H new ATOM 16 N PHE A 18 -12.467 -7.668 -10.028 1.00 0.00 N ATOM 17 CA PHE A 18 -11.446 -6.691 -9.661 1.00 0.00 C ATOM 18 C PHE A 18 -11.702 -5.364 -10.364 1.00 0.00 C ATOM 19 O PHE A 18 -12.319 -5.328 -11.428 1.00 0.00 O ATOM 20 CB PHE A 18 -10.055 -7.210 -10.026 1.00 0.00 C ATOM 21 CG PHE A 18 -9.338 -7.866 -8.881 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.636 -9.170 -8.520 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.362 -7.183 -8.177 1.00 0.00 C ATOM 24 CE1 PHE A 18 -8.972 -9.779 -7.474 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.696 -7.788 -7.129 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.000 -9.089 -6.777 1.00 0.00 C ATOM 0 H PHE A 18 -12.103 -8.516 -10.461 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.494 -6.535 -8.583 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.146 -7.925 -10.844 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.452 -6.380 -10.394 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.395 -9.715 -9.062 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.119 -6.167 -8.450 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.213 -10.796 -7.201 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.938 -7.244 -6.585 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.479 -9.565 -5.959 1.00 0.00 H new ATOM 36 N LYS A 19 -11.230 -4.274 -9.769 1.00 0.00 N ATOM 37 CA LYS A 19 -11.422 -2.958 -10.360 1.00 0.00 C ATOM 38 C LYS A 19 -10.516 -1.909 -9.726 1.00 0.00 C ATOM 39 O LYS A 19 -10.513 -1.720 -8.505 1.00 0.00 O ATOM 40 CB LYS A 19 -12.884 -2.528 -10.227 1.00 0.00 C ATOM 41 CG LYS A 19 -13.383 -2.508 -8.791 1.00 0.00 C ATOM 42 CD LYS A 19 -14.054 -1.186 -8.450 1.00 0.00 C ATOM 43 CE LYS A 19 -15.297 -0.957 -9.293 1.00 0.00 C ATOM 44 NZ LYS A 19 -16.361 -0.246 -8.534 1.00 0.00 N ATOM 0 H LYS A 19 -10.717 -4.276 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.156 -3.033 -11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.003 -1.534 -10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.508 -3.205 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.089 -3.325 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.547 -2.678 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.323 -1.175 -7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.351 -0.369 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.034 -0.377 -10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.680 -1.916 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.811 0.462 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.075 -0.931 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.941 0.228 -7.709 1.00 0.00 H new ATOM 58 N ASP A 20 -9.759 -1.221 -10.575 1.00 0.00 N ATOM 59 CA ASP A 20 -8.853 -0.170 -10.131 1.00 0.00 C ATOM 60 C ASP A 20 -9.643 1.051 -9.667 1.00 0.00 C ATOM 61 O ASP A 20 -10.123 1.839 -10.482 1.00 0.00 O ATOM 62 CB ASP A 20 -7.900 0.224 -11.261 1.00 0.00 C ATOM 63 CG ASP A 20 -6.521 -0.385 -11.097 1.00 0.00 C ATOM 64 OD1 ASP A 20 -5.695 0.206 -10.370 1.00 0.00 O ATOM 65 OD2 ASP A 20 -6.268 -1.451 -11.694 1.00 0.00 O ATOM 0 H ASP A 20 -9.757 -1.376 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.268 -0.551 -9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.322 -0.092 -12.215 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.812 1.310 -11.296 1.00 0.00 H new ATOM 70 N VAL A 21 -9.779 1.195 -8.355 1.00 0.00 N ATOM 71 CA VAL A 21 -10.516 2.312 -7.781 1.00 0.00 C ATOM 72 C VAL A 21 -9.652 3.563 -7.686 1.00 0.00 C ATOM 73 O VAL A 21 -8.748 3.643 -6.854 1.00 0.00 O ATOM 74 CB VAL A 21 -11.049 1.968 -6.377 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.965 3.070 -5.867 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.769 0.628 -6.394 1.00 0.00 C ATOM 0 H VAL A 21 -9.388 0.551 -7.668 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.355 2.507 -8.449 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.202 1.890 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.331 2.808 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.412 4.008 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.809 3.185 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.139 0.401 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.607 0.674 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.077 -0.153 -6.711 1.00 0.00 H new ATOM 86 N PHE A 22 -9.942 4.541 -8.536 1.00 0.00 N ATOM 87 CA PHE A 22 -9.197 5.793 -8.539 1.00 0.00 C ATOM 88 C PHE A 22 -9.994 6.885 -7.835 1.00 0.00 C ATOM 89 O PHE A 22 -10.959 7.414 -8.384 1.00 0.00 O ATOM 90 CB PHE A 22 -8.879 6.225 -9.975 1.00 0.00 C ATOM 91 CG PHE A 22 -7.465 6.702 -10.184 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.653 7.038 -9.108 1.00 0.00 C ATOM 93 CD2 PHE A 22 -6.947 6.818 -11.464 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.360 7.473 -9.308 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.653 7.255 -11.669 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.859 7.582 -10.587 1.00 0.00 C ATOM 0 H PHE A 22 -10.687 4.491 -9.231 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.261 5.636 -8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.069 5.386 -10.644 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.564 7.023 -10.262 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.039 6.957 -8.103 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.564 6.563 -12.313 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.740 7.728 -8.462 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.263 7.341 -12.672 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.846 7.923 -10.743 1.00 0.00 H new ATOM 106 N ILE A 23 -9.589 7.216 -6.614 1.00 0.00 N ATOM 107 CA ILE A 23 -10.276 8.240 -5.840 1.00 0.00 C ATOM 108 C ILE A 23 -9.474 9.536 -5.808 1.00 0.00 C ATOM 109 O ILE A 23 -8.536 9.681 -5.024 1.00 0.00 O ATOM 110 CB ILE A 23 -10.541 7.770 -4.397 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.318 6.450 -4.407 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.299 8.836 -3.615 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.771 6.600 -4.808 1.00 0.00 C ATOM 0 H ILE A 23 -8.791 6.791 -6.141 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.231 8.423 -6.333 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.584 7.606 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.831 5.757 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.269 6.003 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.476 8.485 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.710 9.753 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.254 9.034 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.256 5.624 -4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.275 7.267 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.830 7.018 -5.813 1.00 0.00 H new ATOM 125 N GLU A 24 -9.860 10.478 -6.660 1.00 0.00 N ATOM 126 CA GLU A 24 -9.190 11.771 -6.727 1.00 0.00 C ATOM 127 C GLU A 24 -9.725 12.692 -5.639 1.00 0.00 C ATOM 128 O GLU A 24 -10.911 13.023 -5.620 1.00 0.00 O ATOM 129 CB GLU A 24 -9.396 12.408 -8.103 1.00 0.00 C ATOM 130 CG GLU A 24 -9.276 11.420 -9.254 1.00 0.00 C ATOM 131 CD GLU A 24 -10.624 11.015 -9.815 1.00 0.00 C ATOM 132 OE1 GLU A 24 -11.637 11.166 -9.100 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.667 10.547 -10.973 1.00 0.00 O ATOM 0 H GLU A 24 -10.635 10.371 -7.315 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.122 11.619 -6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.381 12.873 -8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.663 13.203 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.674 11.863 -10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.747 10.531 -8.911 1.00 0.00 H new ATOM 140 N LYS A 25 -8.851 13.091 -4.722 1.00 0.00 N ATOM 141 CA LYS A 25 -9.250 13.960 -3.622 1.00 0.00 C ATOM 142 C LYS A 25 -8.111 14.882 -3.210 1.00 0.00 C ATOM 143 O LYS A 25 -7.082 14.951 -3.880 1.00 0.00 O ATOM 144 CB LYS A 25 -9.702 13.114 -2.427 1.00 0.00 C ATOM 145 CG LYS A 25 -8.821 11.901 -2.167 1.00 0.00 C ATOM 146 CD LYS A 25 -8.027 12.048 -0.879 1.00 0.00 C ATOM 147 CE LYS A 25 -6.732 11.254 -0.931 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.254 10.877 0.428 1.00 0.00 N ATOM 0 H LYS A 25 -7.866 12.828 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.080 14.580 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.716 13.740 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.725 12.779 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.441 11.006 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.136 11.763 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.803 13.101 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.630 11.708 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.883 10.353 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.965 11.843 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.565 10.102 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.801 11.699 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.061 10.567 1.006 1.00 0.00 H new ATOM 162 N GLN A 26 -8.300 15.585 -2.098 1.00 0.00 N ATOM 163 CA GLN A 26 -7.286 16.498 -1.590 1.00 0.00 C ATOM 164 C GLN A 26 -6.809 16.048 -0.216 1.00 0.00 C ATOM 165 O GLN A 26 -7.267 15.032 0.308 1.00 0.00 O ATOM 166 CB GLN A 26 -7.844 17.921 -1.512 1.00 0.00 C ATOM 167 CG GLN A 26 -7.712 18.697 -2.812 1.00 0.00 C ATOM 168 CD GLN A 26 -8.732 18.272 -3.850 1.00 0.00 C ATOM 169 OE1 GLN A 26 -8.383 17.698 -4.882 1.00 0.00 O ATOM 170 NE2 GLN A 26 -10.002 18.553 -3.582 1.00 0.00 N ATOM 0 H GLN A 26 -9.147 15.539 -1.532 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.438 16.490 -2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.896 17.875 -1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.326 18.463 -0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.828 19.762 -2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.709 18.556 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.247 19.030 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.733 18.292 -4.244 1.00 0.00 H new ATOM 179 N LYS A 27 -5.887 16.804 0.364 1.00 0.00 N ATOM 180 CA LYS A 27 -5.353 16.475 1.679 1.00 0.00 C ATOM 181 C LYS A 27 -6.391 16.727 2.763 1.00 0.00 C ATOM 182 O LYS A 27 -7.367 17.446 2.548 1.00 0.00 O ATOM 183 CB LYS A 27 -4.090 17.290 1.963 1.00 0.00 C ATOM 184 CG LYS A 27 -3.208 17.490 0.743 1.00 0.00 C ATOM 185 CD LYS A 27 -1.735 17.358 1.091 1.00 0.00 C ATOM 186 CE LYS A 27 -0.972 16.629 0.001 1.00 0.00 C ATOM 187 NZ LYS A 27 -0.319 17.572 -0.947 1.00 0.00 N ATOM 0 H LYS A 27 -5.494 17.647 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.097 15.415 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.378 18.265 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.512 16.790 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.469 16.757 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.395 18.475 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.304 18.348 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.629 16.821 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.216 15.988 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.654 15.979 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.192 17.034 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.043 18.167 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.351 18.176 -0.430 1.00 0.00 H new ATOM 201 N GLY A 28 -6.173 16.127 3.925 1.00 0.00 N ATOM 202 CA GLY A 28 -7.099 16.296 5.027 1.00 0.00 C ATOM 203 C GLY A 28 -8.470 15.720 4.730 1.00 0.00 C ATOM 204 O GLY A 28 -9.438 16.012 5.435 1.00 0.00 O ATOM 0 H GLY A 28 -5.373 15.527 4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.692 15.815 5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.197 17.357 5.255 1.00 0.00 H new ATOM 208 N GLU A 29 -8.560 14.891 3.690 1.00 0.00 N ATOM 209 CA GLU A 29 -9.824 14.272 3.319 1.00 0.00 C ATOM 210 C GLU A 29 -9.647 12.771 3.154 1.00 0.00 C ATOM 211 O GLU A 29 -10.301 12.146 2.321 1.00 0.00 O ATOM 212 CB GLU A 29 -10.370 14.886 2.028 1.00 0.00 C ATOM 213 CG GLU A 29 -10.909 16.296 2.206 1.00 0.00 C ATOM 214 CD GLU A 29 -11.516 16.853 0.934 1.00 0.00 C ATOM 215 OE1 GLU A 29 -12.718 16.614 0.695 1.00 0.00 O ATOM 216 OE2 GLU A 29 -10.790 17.529 0.174 1.00 0.00 O ATOM 0 H GLU A 29 -7.773 14.636 3.094 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.543 14.456 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.578 14.900 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.164 14.249 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.662 16.296 2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.102 16.950 2.536 1.00 0.00 H new ATOM 223 N ILE A 30 -8.750 12.219 3.973 1.00 0.00 N ATOM 224 CA ILE A 30 -8.432 10.785 3.982 1.00 0.00 C ATOM 225 C ILE A 30 -9.079 10.017 2.830 1.00 0.00 C ATOM 226 O ILE A 30 -8.426 9.699 1.835 1.00 0.00 O ATOM 227 CB ILE A 30 -8.840 10.125 5.318 1.00 0.00 C ATOM 228 CG1 ILE A 30 -10.059 10.819 5.924 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.680 10.150 6.299 1.00 0.00 C ATOM 230 CD1 ILE A 30 -11.074 9.844 6.470 1.00 0.00 C ATOM 0 H ILE A 30 -8.217 12.758 4.656 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.351 10.729 3.857 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.105 9.088 5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.733 11.484 6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.532 11.442 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.985 9.681 7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.836 9.604 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.387 11.182 6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.918 10.393 6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.425 9.196 5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.613 9.238 7.250 1.00 0.00 H new ATOM 242 N LEU A 31 -10.364 9.731 2.980 1.00 0.00 N ATOM 243 CA LEU A 31 -11.128 9.004 1.972 1.00 0.00 C ATOM 244 C LEU A 31 -12.542 8.754 2.477 1.00 0.00 C ATOM 245 O LEU A 31 -13.518 8.931 1.748 1.00 0.00 O ATOM 246 CB LEU A 31 -10.458 7.668 1.638 1.00 0.00 C ATOM 247 CG LEU A 31 -10.823 7.090 0.271 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.157 7.889 -0.839 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.428 5.625 0.189 1.00 0.00 C ATOM 0 H LEU A 31 -10.907 9.995 3.802 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.164 9.610 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.377 7.799 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.725 6.942 2.406 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.903 7.160 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.427 7.464 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.491 8.925 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.075 7.851 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.696 5.230 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.352 5.529 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.952 5.063 0.962 1.00 0.00 H new ATOM 261 N GLY A 32 -12.633 8.354 3.739 1.00 0.00 N ATOM 262 CA GLY A 32 -13.923 8.098 4.350 1.00 0.00 C ATOM 263 C GLY A 32 -14.428 6.683 4.129 1.00 0.00 C ATOM 264 O GLY A 32 -15.468 6.483 3.499 1.00 0.00 O ATOM 0 H GLY A 32 -11.833 8.202 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.853 8.287 5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.652 8.802 3.949 1.00 0.00 H new ATOM 268 N VAL A 33 -13.708 5.697 4.660 1.00 0.00 N ATOM 269 CA VAL A 33 -14.116 4.297 4.525 1.00 0.00 C ATOM 270 C VAL A 33 -13.596 3.456 5.688 1.00 0.00 C ATOM 271 O VAL A 33 -12.610 3.811 6.331 1.00 0.00 O ATOM 272 CB VAL A 33 -13.679 3.669 3.171 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.528 4.736 2.097 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.391 2.860 3.302 1.00 0.00 C ATOM 0 H VAL A 33 -12.845 5.838 5.185 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.206 4.295 4.545 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.470 2.982 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.222 4.269 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.481 5.245 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.773 5.459 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.125 2.441 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.587 3.509 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.540 2.052 4.018 1.00 0.00 H new ATOM 284 N VAL A 34 -14.268 2.342 5.949 1.00 0.00 N ATOM 285 CA VAL A 34 -13.870 1.451 7.033 1.00 0.00 C ATOM 286 C VAL A 34 -13.688 0.025 6.528 1.00 0.00 C ATOM 287 O VAL A 34 -14.598 -0.562 5.943 1.00 0.00 O ATOM 288 CB VAL A 34 -14.895 1.457 8.180 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.417 0.589 9.335 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.156 2.880 8.647 1.00 0.00 C ATOM 0 H VAL A 34 -15.089 2.034 5.427 1.00 0.00 H new ATOM 0 HA VAL A 34 -12.919 1.823 7.415 1.00 0.00 H new ATOM 0 HB VAL A 34 -15.831 1.038 7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.157 0.608 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.283 -0.436 8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.468 0.972 9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.883 2.869 9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.225 3.324 9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.547 3.469 7.818 1.00 0.00 H new ATOM 300 N ILE A 35 -12.502 -0.519 6.760 1.00 0.00 N ATOM 301 CA ILE A 35 -12.180 -1.869 6.333 1.00 0.00 C ATOM 302 C ILE A 35 -12.070 -2.814 7.524 1.00 0.00 C ATOM 303 O ILE A 35 -11.681 -2.408 8.619 1.00 0.00 O ATOM 304 CB ILE A 35 -10.865 -1.900 5.544 1.00 0.00 C ATOM 305 CG1 ILE A 35 -9.794 -1.077 6.252 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.082 -1.397 4.124 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.420 -1.690 6.161 1.00 0.00 C ATOM 0 H ILE A 35 -11.743 -0.040 7.245 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.993 -2.202 5.688 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.520 -2.933 5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.768 -0.077 5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.066 -0.964 7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.138 -1.426 3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.811 -2.032 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.452 -0.372 4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.704 -1.057 6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.432 -2.679 6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.130 -1.778 5.114 1.00 0.00 H new ATOM 319 N VAL A 36 -12.417 -4.076 7.300 1.00 0.00 N ATOM 320 CA VAL A 36 -12.358 -5.086 8.350 1.00 0.00 C ATOM 321 C VAL A 36 -11.853 -6.416 7.799 1.00 0.00 C ATOM 322 O VAL A 36 -11.777 -6.603 6.587 1.00 0.00 O ATOM 323 CB VAL A 36 -13.741 -5.303 8.995 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.229 -4.024 9.656 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.745 -5.791 7.959 1.00 0.00 C ATOM 0 H VAL A 36 -12.743 -4.425 6.399 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.665 -4.720 9.107 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.645 -6.069 9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.207 -4.197 10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.522 -3.721 10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.308 -3.235 8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.715 -5.938 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.838 -5.050 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.401 -6.735 7.536 1.00 0.00 H new ATOM 335 N GLU A 37 -11.513 -7.338 8.695 1.00 0.00 N ATOM 336 CA GLU A 37 -11.021 -8.651 8.288 1.00 0.00 C ATOM 337 C GLU A 37 -12.005 -9.328 7.337 1.00 0.00 C ATOM 338 O GLU A 37 -13.214 -9.314 7.564 1.00 0.00 O ATOM 339 CB GLU A 37 -10.781 -9.534 9.516 1.00 0.00 C ATOM 340 CG GLU A 37 -9.330 -9.563 9.968 1.00 0.00 C ATOM 341 CD GLU A 37 -9.106 -10.485 11.149 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.838 -11.490 11.267 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.199 -10.200 11.960 1.00 0.00 O ATOM 0 H GLU A 37 -11.569 -7.201 9.704 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.076 -8.513 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.402 -9.177 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.104 -10.551 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.701 -9.883 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.016 -8.554 10.235 1.00 0.00 H new ATOM 350 N SER A 38 -11.474 -9.908 6.264 1.00 0.00 N ATOM 351 CA SER A 38 -12.301 -10.577 5.268 1.00 0.00 C ATOM 352 C SER A 38 -12.735 -11.964 5.731 1.00 0.00 C ATOM 353 O SER A 38 -12.125 -12.971 5.372 1.00 0.00 O ATOM 354 CB SER A 38 -11.546 -10.680 3.942 1.00 0.00 C ATOM 355 OG SER A 38 -10.540 -11.676 4.001 1.00 0.00 O ATOM 0 H SER A 38 -10.474 -9.927 6.063 1.00 0.00 H new ATOM 0 HA SER A 38 -13.201 -9.977 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.246 -10.913 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.095 -9.717 3.702 1.00 0.00 H new ATOM 0 HG SER A 38 -10.924 -12.508 4.349 1.00 0.00 H new ATOM 361 N GLY A 39 -13.802 -12.010 6.524 1.00 0.00 N ATOM 362 CA GLY A 39 -14.308 -13.280 7.013 1.00 0.00 C ATOM 363 C GLY A 39 -15.236 -13.958 6.023 1.00 0.00 C ATOM 364 O GLY A 39 -15.668 -15.090 6.242 1.00 0.00 O ATOM 0 H GLY A 39 -14.324 -11.191 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.469 -13.941 7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.839 -13.118 7.951 1.00 0.00 H new ATOM 368 N TRP A 40 -15.530 -13.270 4.924 1.00 0.00 N ATOM 369 CA TRP A 40 -16.393 -13.804 3.877 1.00 0.00 C ATOM 370 C TRP A 40 -15.849 -15.140 3.368 1.00 0.00 C ATOM 371 O TRP A 40 -15.017 -15.768 4.024 1.00 0.00 O ATOM 372 CB TRP A 40 -16.463 -12.798 2.728 1.00 0.00 C ATOM 373 CG TRP A 40 -15.139 -12.601 2.054 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.902 -12.784 2.607 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.914 -12.185 0.703 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.927 -12.520 1.680 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.520 -12.148 0.508 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.753 -11.844 -0.359 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.948 -11.787 -0.701 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -15.183 -11.481 -1.565 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.790 -11.456 -1.729 1.00 0.00 C ATOM 0 H TRP A 40 -15.179 -12.331 4.735 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.391 -13.971 4.282 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.193 -13.140 1.994 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.819 -11.841 3.109 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.719 -13.092 3.626 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.922 -12.590 1.840 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.826 -11.863 -0.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.876 -11.767 -0.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.820 -11.212 -2.394 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.374 -11.170 -2.684 1.00 0.00 H new ATOM 392 N GLY A 41 -16.298 -15.565 2.188 1.00 0.00 N ATOM 393 CA GLY A 41 -15.811 -16.812 1.621 1.00 0.00 C ATOM 394 C GLY A 41 -14.294 -16.884 1.643 1.00 0.00 C ATOM 395 O GLY A 41 -13.712 -17.967 1.688 1.00 0.00 O ATOM 0 H GLY A 41 -16.985 -15.072 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.223 -17.652 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.165 -16.908 0.595 1.00 0.00 H new ATOM 399 N SER A 42 -13.663 -15.711 1.621 1.00 0.00 N ATOM 400 CA SER A 42 -12.210 -15.588 1.649 1.00 0.00 C ATOM 401 C SER A 42 -11.611 -15.760 0.274 1.00 0.00 C ATOM 402 O SER A 42 -10.550 -16.363 0.107 1.00 0.00 O ATOM 403 CB SER A 42 -11.576 -16.574 2.627 1.00 0.00 C ATOM 404 OG SER A 42 -12.478 -16.929 3.661 1.00 0.00 O ATOM 0 H SER A 42 -14.150 -14.816 1.583 1.00 0.00 H new ATOM 0 HA SER A 42 -11.990 -14.578 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.263 -17.470 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.679 -16.133 3.061 1.00 0.00 H new ATOM 0 HG SER A 42 -12.987 -17.722 3.393 1.00 0.00 H new ATOM 410 N ILE A 43 -12.282 -15.188 -0.706 1.00 0.00 N ATOM 411 CA ILE A 43 -11.814 -15.227 -2.070 1.00 0.00 C ATOM 412 C ILE A 43 -10.385 -14.693 -2.137 1.00 0.00 C ATOM 413 O ILE A 43 -9.556 -15.173 -2.909 1.00 0.00 O ATOM 414 CB ILE A 43 -12.722 -14.375 -2.947 1.00 0.00 C ATOM 415 CG1 ILE A 43 -14.148 -14.909 -2.887 1.00 0.00 C ATOM 416 CG2 ILE A 43 -12.210 -14.345 -4.365 1.00 0.00 C ATOM 417 CD1 ILE A 43 -15.173 -13.935 -3.408 1.00 0.00 C ATOM 0 H ILE A 43 -13.161 -14.687 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.831 -16.256 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.722 -13.351 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.207 -15.832 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.390 -15.163 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.871 -13.732 -4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -11.205 -13.922 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.183 -15.359 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -16.166 -14.379 -3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.140 -13.021 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.955 -13.700 -4.450 1.00 0.00 H new ATOM 429 N LEU A 44 -10.124 -13.702 -1.293 1.00 0.00 N ATOM 430 CA LEU A 44 -8.819 -13.069 -1.189 1.00 0.00 C ATOM 431 C LEU A 44 -8.667 -12.460 0.204 1.00 0.00 C ATOM 432 O LEU A 44 -9.152 -11.360 0.463 1.00 0.00 O ATOM 433 CB LEU A 44 -8.664 -11.987 -2.261 1.00 0.00 C ATOM 434 CG LEU A 44 -8.785 -12.483 -3.701 1.00 0.00 C ATOM 435 CD1 LEU A 44 -8.711 -11.320 -4.676 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.699 -13.504 -4.008 1.00 0.00 C ATOM 0 H LEU A 44 -10.820 -13.313 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.041 -13.817 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.419 -11.219 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.691 -11.511 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.755 -12.966 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.799 -11.694 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.524 -10.623 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.756 -10.807 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.802 -13.846 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.720 -13.045 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.797 -14.354 -3.332 1.00 0.00 H new ATOM 448 N PRO A 45 -8.019 -13.183 1.135 1.00 0.00 N ATOM 449 CA PRO A 45 -7.840 -12.716 2.514 1.00 0.00 C ATOM 450 C PRO A 45 -7.164 -11.353 2.610 1.00 0.00 C ATOM 451 O PRO A 45 -5.938 -11.259 2.657 1.00 0.00 O ATOM 452 CB PRO A 45 -6.962 -13.797 3.162 1.00 0.00 C ATOM 453 CG PRO A 45 -6.416 -14.601 2.031 1.00 0.00 C ATOM 454 CD PRO A 45 -7.434 -14.517 0.933 1.00 0.00 C ATOM 0 HA PRO A 45 -8.803 -12.578 3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.159 -13.350 3.749 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.544 -14.420 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.454 -14.208 1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.251 -15.636 2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.976 -14.613 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.183 -15.304 1.015 1.00 0.00 H new ATOM 462 N THR A 46 -7.975 -10.299 2.657 1.00 0.00 N ATOM 463 CA THR A 46 -7.452 -8.940 2.770 1.00 0.00 C ATOM 464 C THR A 46 -8.293 -8.113 3.750 1.00 0.00 C ATOM 465 O THR A 46 -7.997 -8.071 4.944 1.00 0.00 O ATOM 466 CB THR A 46 -7.389 -8.261 1.399 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.451 -6.849 1.537 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.491 -8.700 0.454 1.00 0.00 C ATOM 0 H THR A 46 -8.993 -10.359 2.619 1.00 0.00 H new ATOM 0 HA THR A 46 -6.437 -9.001 3.162 1.00 0.00 H new ATOM 0 HB THR A 46 -6.437 -8.568 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.521 -6.436 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.384 -8.179 -0.497 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.421 -9.775 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.461 -8.462 0.891 1.00 0.00 H new ATOM 476 N VAL A 47 -9.343 -7.461 3.247 1.00 0.00 N ATOM 477 CA VAL A 47 -10.214 -6.648 4.093 1.00 0.00 C ATOM 478 C VAL A 47 -11.566 -6.410 3.424 1.00 0.00 C ATOM 479 O VAL A 47 -11.738 -6.684 2.236 1.00 0.00 O ATOM 480 CB VAL A 47 -9.580 -5.286 4.437 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.723 -5.394 5.689 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.766 -4.751 3.268 1.00 0.00 C ATOM 0 H VAL A 47 -9.609 -7.481 2.262 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.356 -7.210 5.016 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.386 -4.579 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.285 -4.422 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.342 -5.716 6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.928 -6.121 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.330 -3.789 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.970 -5.455 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.414 -4.625 2.401 1.00 0.00 H new ATOM 492 N ILE A 48 -12.527 -5.905 4.194 1.00 0.00 N ATOM 493 CA ILE A 48 -13.866 -5.640 3.672 1.00 0.00 C ATOM 494 C ILE A 48 -14.364 -4.249 4.042 1.00 0.00 C ATOM 495 O ILE A 48 -14.334 -3.862 5.209 1.00 0.00 O ATOM 496 CB ILE A 48 -14.911 -6.653 4.196 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.257 -7.777 4.995 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.716 -7.225 3.047 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.260 -8.712 5.637 1.00 0.00 C ATOM 0 H ILE A 48 -12.404 -5.671 5.179 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.767 -5.729 2.590 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.581 -6.116 4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.605 -8.351 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.626 -7.343 5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.447 -7.936 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.234 -6.418 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.048 -7.733 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.731 -9.488 6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.897 -8.149 6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.875 -9.172 4.864 1.00 0.00 H new ATOM 511 N ILE A 49 -14.869 -3.516 3.052 1.00 0.00 N ATOM 512 CA ILE A 49 -15.416 -2.204 3.295 1.00 0.00 C ATOM 513 C ILE A 49 -16.696 -2.349 4.093 1.00 0.00 C ATOM 514 O ILE A 49 -17.773 -2.564 3.541 1.00 0.00 O ATOM 515 CB ILE A 49 -15.695 -1.474 1.979 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.407 -1.378 1.172 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.275 -0.097 2.240 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.581 -0.685 -0.153 1.00 0.00 C ATOM 0 H ILE A 49 -14.906 -3.817 2.078 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.692 -1.613 3.856 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.432 -2.038 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.659 -0.843 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.019 -2.382 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.465 0.404 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.209 -0.195 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.567 0.491 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.625 -0.652 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.305 -1.232 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.940 0.331 0.012 1.00 0.00 H new ATOM 530 N ALA A 50 -16.550 -2.271 5.400 1.00 0.00 N ATOM 531 CA ALA A 50 -17.665 -2.430 6.307 1.00 0.00 C ATOM 532 C ALA A 50 -18.349 -1.102 6.619 1.00 0.00 C ATOM 533 O ALA A 50 -19.392 -1.072 7.272 1.00 0.00 O ATOM 534 CB ALA A 50 -17.171 -3.102 7.573 1.00 0.00 C ATOM 0 H ALA A 50 -15.657 -2.096 5.861 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.419 -3.054 5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.003 -3.228 8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.752 -4.078 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.402 -2.484 8.037 1.00 0.00 H new ATOM 540 N ASN A 51 -17.768 -0.003 6.145 1.00 0.00 N ATOM 541 CA ASN A 51 -18.347 1.316 6.376 1.00 0.00 C ATOM 542 C ASN A 51 -17.756 2.353 5.424 1.00 0.00 C ATOM 543 O ASN A 51 -16.663 2.168 4.889 1.00 0.00 O ATOM 544 CB ASN A 51 -18.128 1.747 7.828 1.00 0.00 C ATOM 545 CG ASN A 51 -19.423 2.126 8.520 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.427 2.418 7.870 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.406 2.122 9.849 1.00 0.00 N ATOM 0 H ASN A 51 -16.904 0.001 5.603 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.418 1.250 6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.650 0.936 8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.444 2.595 7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.248 2.367 10.371 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.551 1.873 10.347 1.00 0.00 H new ATOM 554 N MET A 52 -18.492 3.441 5.213 1.00 0.00 N ATOM 555 CA MET A 52 -18.045 4.503 4.319 1.00 0.00 C ATOM 556 C MET A 52 -18.675 5.843 4.683 1.00 0.00 C ATOM 557 O MET A 52 -19.882 5.931 4.909 1.00 0.00 O ATOM 558 CB MET A 52 -18.385 4.151 2.873 1.00 0.00 C ATOM 559 CG MET A 52 -17.461 4.796 1.854 1.00 0.00 C ATOM 560 SD MET A 52 -17.312 3.830 0.338 1.00 0.00 S ATOM 561 CE MET A 52 -18.950 3.114 0.226 1.00 0.00 C ATOM 0 H MET A 52 -19.399 3.609 5.648 1.00 0.00 H new ATOM 0 HA MET A 52 -16.964 4.595 4.428 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.345 3.068 2.753 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.410 4.457 2.665 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.834 5.791 1.611 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.473 4.925 2.296 1.00 0.00 H new ATOM 0 HE1 MET A 52 -18.884 2.033 0.351 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.584 3.531 1.008 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.380 3.341 -0.749 1.00 0.00 H new ATOM 571 N MET A 53 -17.852 6.887 4.726 1.00 0.00 N ATOM 572 CA MET A 53 -18.332 8.226 5.048 1.00 0.00 C ATOM 573 C MET A 53 -19.081 8.819 3.861 1.00 0.00 C ATOM 574 O MET A 53 -18.470 9.363 2.943 1.00 0.00 O ATOM 575 CB MET A 53 -17.166 9.140 5.431 1.00 0.00 C ATOM 576 CG MET A 53 -16.375 8.657 6.635 1.00 0.00 C ATOM 577 SD MET A 53 -15.716 10.015 7.624 1.00 0.00 S ATOM 578 CE MET A 53 -14.077 10.189 6.919 1.00 0.00 C ATOM 0 H MET A 53 -16.850 6.831 4.542 1.00 0.00 H new ATOM 0 HA MET A 53 -19.011 8.149 5.897 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.493 9.230 4.579 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.552 10.138 5.639 1.00 0.00 H new ATOM 0 HG2 MET A 53 -17.016 8.035 7.260 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.553 8.027 6.296 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.533 10.969 7.452 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.540 9.245 7.009 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.161 10.460 5.866 1.00 0.00 H new ATOM 588 N HIS A 54 -20.403 8.705 3.883 1.00 0.00 N ATOM 589 CA HIS A 54 -21.233 9.228 2.804 1.00 0.00 C ATOM 590 C HIS A 54 -21.098 10.744 2.699 1.00 0.00 C ATOM 591 O HIS A 54 -21.964 11.486 3.161 1.00 0.00 O ATOM 592 CB HIS A 54 -22.698 8.848 3.032 1.00 0.00 C ATOM 593 CG HIS A 54 -23.590 9.187 1.879 1.00 0.00 C ATOM 594 ND1 HIS A 54 -24.070 8.244 0.994 1.00 0.00 N ATOM 595 CD2 HIS A 54 -24.094 10.375 1.468 1.00 0.00 C ATOM 596 CE1 HIS A 54 -24.831 8.838 0.090 1.00 0.00 C ATOM 597 NE2 HIS A 54 -24.861 10.130 0.357 1.00 0.00 N ATOM 0 H HIS A 54 -20.924 8.255 4.636 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.891 8.786 1.868 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.761 7.777 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.062 9.357 3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.924 11.337 1.929 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -25.341 8.349 -0.727 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -25.372 10.833 -0.177 1.00 0.00 H new ATOM 606 N GLY A 55 -20.004 11.196 2.093 1.00 0.00 N ATOM 607 CA GLY A 55 -19.779 12.621 1.943 1.00 0.00 C ATOM 608 C GLY A 55 -18.387 12.926 1.435 1.00 0.00 C ATOM 609 O GLY A 55 -18.186 13.884 0.687 1.00 0.00 O ATOM 0 H GLY A 55 -19.272 10.602 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.515 13.033 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.931 13.115 2.903 1.00 0.00 H new ATOM 613 N GLY A 56 -17.426 12.101 1.832 1.00 0.00 N ATOM 614 CA GLY A 56 -16.058 12.295 1.396 1.00 0.00 C ATOM 615 C GLY A 56 -15.862 11.888 -0.050 1.00 0.00 C ATOM 616 O GLY A 56 -16.836 11.659 -0.768 1.00 0.00 O ATOM 0 H GLY A 56 -17.570 11.301 2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.783 13.343 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.389 11.714 2.030 1.00 0.00 H new ATOM 620 N PRO A 57 -14.607 11.784 -0.512 1.00 0.00 N ATOM 621 CA PRO A 57 -14.307 11.392 -1.891 1.00 0.00 C ATOM 622 C PRO A 57 -14.650 9.931 -2.170 1.00 0.00 C ATOM 623 O PRO A 57 -14.746 9.519 -3.325 1.00 0.00 O ATOM 624 CB PRO A 57 -12.801 11.623 -2.008 1.00 0.00 C ATOM 625 CG PRO A 57 -12.293 11.498 -0.615 1.00 0.00 C ATOM 626 CD PRO A 57 -13.384 12.031 0.272 1.00 0.00 C ATOM 0 HA PRO A 57 -14.894 11.961 -2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.337 10.889 -2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.582 12.607 -2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.066 10.459 -0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.371 12.064 -0.483 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.410 11.515 1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.249 13.092 0.483 1.00 0.00 H new ATOM 634 N ALA A 58 -14.834 9.152 -1.106 1.00 0.00 N ATOM 635 CA ALA A 58 -15.164 7.746 -1.246 1.00 0.00 C ATOM 636 C ALA A 58 -16.550 7.579 -1.849 1.00 0.00 C ATOM 637 O ALA A 58 -16.744 6.824 -2.802 1.00 0.00 O ATOM 638 CB ALA A 58 -15.081 7.047 0.103 1.00 0.00 C ATOM 0 H ALA A 58 -14.759 9.475 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.441 7.287 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.331 5.993 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.069 7.137 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.783 7.510 0.796 1.00 0.00 H new ATOM 644 N GLU A 59 -17.513 8.296 -1.283 1.00 0.00 N ATOM 645 CA GLU A 59 -18.891 8.244 -1.757 1.00 0.00 C ATOM 646 C GLU A 59 -19.058 9.063 -3.034 1.00 0.00 C ATOM 647 O GLU A 59 -19.819 8.691 -3.928 1.00 0.00 O ATOM 648 CB GLU A 59 -19.841 8.761 -0.674 1.00 0.00 C ATOM 649 CG GLU A 59 -21.058 7.877 -0.461 1.00 0.00 C ATOM 650 CD GLU A 59 -20.712 6.565 0.217 1.00 0.00 C ATOM 651 OE1 GLU A 59 -20.118 6.603 1.315 1.00 0.00 O ATOM 652 OE2 GLU A 59 -21.036 5.501 -0.351 1.00 0.00 O ATOM 0 H GLU A 59 -17.364 8.923 -0.492 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.136 7.206 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.295 8.847 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.173 9.764 -0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.790 8.412 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.527 7.672 -1.423 1.00 0.00 H new ATOM 659 N LYS A 60 -18.346 10.184 -3.109 1.00 0.00 N ATOM 660 CA LYS A 60 -18.417 11.061 -4.270 1.00 0.00 C ATOM 661 C LYS A 60 -18.036 10.317 -5.547 1.00 0.00 C ATOM 662 O LYS A 60 -18.728 10.409 -6.561 1.00 0.00 O ATOM 663 CB LYS A 60 -17.498 12.268 -4.079 1.00 0.00 C ATOM 664 CG LYS A 60 -18.118 13.382 -3.253 1.00 0.00 C ATOM 665 CD LYS A 60 -17.382 14.697 -3.449 1.00 0.00 C ATOM 666 CE LYS A 60 -17.913 15.776 -2.518 1.00 0.00 C ATOM 667 NZ LYS A 60 -17.502 17.138 -2.956 1.00 0.00 N ATOM 0 H LYS A 60 -17.713 10.505 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.447 11.405 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.577 11.940 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.223 12.663 -5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.164 13.504 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.100 13.107 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.317 14.550 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.487 15.023 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.001 15.720 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.549 15.594 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.884 17.845 -2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.464 17.200 -2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.871 17.322 -3.911 1.00 0.00 H new ATOM 681 N SER A 61 -16.931 9.581 -5.490 1.00 0.00 N ATOM 682 CA SER A 61 -16.456 8.824 -6.642 1.00 0.00 C ATOM 683 C SER A 61 -17.485 7.784 -7.069 1.00 0.00 C ATOM 684 O SER A 61 -17.960 7.795 -8.205 1.00 0.00 O ATOM 685 CB SER A 61 -15.126 8.140 -6.317 1.00 0.00 C ATOM 686 OG SER A 61 -14.228 8.226 -7.410 1.00 0.00 O ATOM 0 H SER A 61 -16.348 9.493 -4.658 1.00 0.00 H new ATOM 0 HA SER A 61 -16.305 9.521 -7.467 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.680 8.605 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.303 7.093 -6.069 1.00 0.00 H new ATOM 0 HG SER A 61 -13.420 8.705 -7.132 1.00 0.00 H new ATOM 692 N GLY A 62 -17.819 6.880 -6.155 1.00 0.00 N ATOM 693 CA GLY A 62 -18.785 5.840 -6.459 1.00 0.00 C ATOM 694 C GLY A 62 -18.121 4.519 -6.796 1.00 0.00 C ATOM 695 O GLY A 62 -18.793 3.498 -6.940 1.00 0.00 O ATOM 0 H GLY A 62 -17.438 6.848 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.449 5.703 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.405 6.157 -7.298 1.00 0.00 H new ATOM 699 N LYS A 63 -16.797 4.541 -6.920 1.00 0.00 N ATOM 700 CA LYS A 63 -16.038 3.341 -7.240 1.00 0.00 C ATOM 701 C LYS A 63 -15.987 2.404 -6.037 1.00 0.00 C ATOM 702 O LYS A 63 -15.907 1.185 -6.189 1.00 0.00 O ATOM 703 CB LYS A 63 -14.620 3.713 -7.676 1.00 0.00 C ATOM 704 CG LYS A 63 -14.567 4.869 -8.664 1.00 0.00 C ATOM 705 CD LYS A 63 -14.610 4.378 -10.101 1.00 0.00 C ATOM 706 CE LYS A 63 -13.325 3.664 -10.486 1.00 0.00 C ATOM 707 NZ LYS A 63 -12.883 4.020 -11.862 1.00 0.00 N ATOM 0 H LYS A 63 -16.229 5.380 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.537 2.826 -8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.035 3.973 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.147 2.840 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.405 5.542 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.656 5.445 -8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.455 3.702 -10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.772 5.223 -10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.540 3.921 -9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.475 2.586 -10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.003 3.512 -12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.621 3.752 -12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.715 5.045 -11.918 1.00 0.00 H new ATOM 721 N LEU A 64 -16.039 2.984 -4.842 1.00 0.00 N ATOM 722 CA LEU A 64 -16.005 2.204 -3.610 1.00 0.00 C ATOM 723 C LEU A 64 -17.402 2.064 -3.019 1.00 0.00 C ATOM 724 O LEU A 64 -18.051 3.057 -2.691 1.00 0.00 O ATOM 725 CB LEU A 64 -15.073 2.856 -2.587 1.00 0.00 C ATOM 726 CG LEU A 64 -13.591 2.840 -2.959 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.792 3.716 -2.008 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.054 1.416 -2.951 1.00 0.00 C ATOM 0 H LEU A 64 -16.105 3.992 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.627 1.211 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.384 3.891 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.197 2.349 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.486 3.242 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.739 3.692 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.159 4.741 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.904 3.344 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.997 1.424 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.173 0.988 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.606 0.815 -3.673 1.00 0.00 H new ATOM 740 N ASN A 65 -17.857 0.826 -2.885 1.00 0.00 N ATOM 741 CA ASN A 65 -19.176 0.552 -2.329 1.00 0.00 C ATOM 742 C ASN A 65 -19.091 -0.542 -1.274 1.00 0.00 C ATOM 743 O ASN A 65 -18.447 -1.569 -1.483 1.00 0.00 O ATOM 744 CB ASN A 65 -20.144 0.135 -3.438 1.00 0.00 C ATOM 745 CG ASN A 65 -19.677 -1.103 -4.178 1.00 0.00 C ATOM 746 OD1 ASN A 65 -20.259 -2.179 -4.040 1.00 0.00 O ATOM 747 ND2 ASN A 65 -18.620 -0.955 -4.969 1.00 0.00 N ATOM 0 H ASN A 65 -17.332 -0.006 -3.154 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.548 1.463 -1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -21.127 -0.052 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.257 0.957 -4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.259 -1.753 -5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.169 -0.044 -5.053 1.00 0.00 H new ATOM 754 N ILE A 66 -19.737 -0.314 -0.132 1.00 0.00 N ATOM 755 CA ILE A 66 -19.728 -1.279 0.956 1.00 0.00 C ATOM 756 C ILE A 66 -19.986 -2.696 0.455 1.00 0.00 C ATOM 757 O ILE A 66 -20.762 -2.909 -0.478 1.00 0.00 O ATOM 758 CB ILE A 66 -20.758 -0.895 2.025 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.329 0.421 2.658 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.896 -1.988 3.079 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.078 0.307 3.494 1.00 0.00 C ATOM 0 H ILE A 66 -20.273 0.533 0.060 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.733 -1.261 1.402 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.737 -0.779 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.165 1.157 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.140 0.797 3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.633 -1.685 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.219 -2.914 2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.934 -2.147 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.831 1.282 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.244 -0.405 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.254 -0.039 2.870 1.00 0.00 H new ATOM 773 N GLY A 67 -19.320 -3.656 1.080 1.00 0.00 N ATOM 774 CA GLY A 67 -19.470 -5.042 0.687 1.00 0.00 C ATOM 775 C GLY A 67 -18.425 -5.477 -0.325 1.00 0.00 C ATOM 776 O GLY A 67 -18.547 -6.543 -0.929 1.00 0.00 O ATOM 0 H GLY A 67 -18.676 -3.499 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.401 -5.676 1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.464 -5.191 0.265 1.00 0.00 H new ATOM 780 N ASP A 68 -17.394 -4.653 -0.511 1.00 0.00 N ATOM 781 CA ASP A 68 -16.330 -4.965 -1.457 1.00 0.00 C ATOM 782 C ASP A 68 -15.067 -5.403 -0.723 1.00 0.00 C ATOM 783 O ASP A 68 -14.992 -5.322 0.503 1.00 0.00 O ATOM 784 CB ASP A 68 -16.030 -3.754 -2.339 1.00 0.00 C ATOM 785 CG ASP A 68 -17.044 -3.587 -3.456 1.00 0.00 C ATOM 786 OD1 ASP A 68 -18.238 -3.397 -3.147 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.641 -3.648 -4.635 1.00 0.00 O ATOM 0 H ASP A 68 -17.276 -3.767 -0.019 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.666 -5.787 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.019 -2.854 -1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.034 -3.859 -2.769 1.00 0.00 H new ATOM 792 N GLN A 69 -14.077 -5.872 -1.477 1.00 0.00 N ATOM 793 CA GLN A 69 -12.822 -6.325 -0.886 1.00 0.00 C ATOM 794 C GLN A 69 -11.620 -5.665 -1.559 1.00 0.00 C ATOM 795 O GLN A 69 -11.328 -5.929 -2.724 1.00 0.00 O ATOM 796 CB GLN A 69 -12.706 -7.844 -0.994 1.00 0.00 C ATOM 797 CG GLN A 69 -13.478 -8.590 0.082 1.00 0.00 C ATOM 798 CD GLN A 69 -12.579 -9.125 1.178 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.836 -8.912 2.362 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.519 -9.822 0.788 1.00 0.00 N ATOM 0 H GLN A 69 -14.119 -5.948 -2.493 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.825 -6.036 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.067 -8.159 -1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.654 -8.125 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.221 -7.923 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.022 -9.418 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.346 -9.974 -0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.878 -10.206 1.482 1.00 0.00 H new ATOM 809 N ILE A 70 -10.922 -4.812 -0.815 1.00 0.00 N ATOM 810 CA ILE A 70 -9.747 -4.122 -1.336 1.00 0.00 C ATOM 811 C ILE A 70 -8.515 -5.010 -1.237 1.00 0.00 C ATOM 812 O ILE A 70 -8.362 -5.753 -0.274 1.00 0.00 O ATOM 813 CB ILE A 70 -9.480 -2.811 -0.571 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.775 -2.005 -0.427 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.408 -1.992 -1.278 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.956 -1.404 0.951 1.00 0.00 C ATOM 0 H ILE A 70 -11.150 -4.582 0.152 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.949 -3.888 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.118 -3.057 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.782 -1.206 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.624 -2.652 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.231 -1.069 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.484 -2.568 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.741 -1.752 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.892 -0.847 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.981 -2.200 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.126 -0.732 1.167 1.00 0.00 H new ATOM 828 N MET A 71 -7.637 -4.937 -2.234 1.00 0.00 N ATOM 829 CA MET A 71 -6.425 -5.753 -2.232 1.00 0.00 C ATOM 830 C MET A 71 -5.191 -4.922 -1.908 1.00 0.00 C ATOM 831 O MET A 71 -4.599 -5.067 -0.839 1.00 0.00 O ATOM 832 CB MET A 71 -6.237 -6.444 -3.583 1.00 0.00 C ATOM 833 CG MET A 71 -7.304 -7.478 -3.899 1.00 0.00 C ATOM 834 SD MET A 71 -7.536 -8.675 -2.571 1.00 0.00 S ATOM 835 CE MET A 71 -9.320 -8.829 -2.569 1.00 0.00 C ATOM 0 H MET A 71 -7.739 -4.328 -3.046 1.00 0.00 H new ATOM 0 HA MET A 71 -6.545 -6.508 -1.455 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.233 -5.689 -4.369 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.260 -6.927 -3.600 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.249 -6.970 -4.093 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.032 -8.005 -4.813 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.630 -9.454 -1.732 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.770 -7.841 -2.471 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.647 -9.286 -3.503 1.00 0.00 H new ATOM 845 N SER A 72 -4.796 -4.064 -2.840 1.00 0.00 N ATOM 846 CA SER A 72 -3.619 -3.228 -2.649 1.00 0.00 C ATOM 847 C SER A 72 -3.947 -1.753 -2.840 1.00 0.00 C ATOM 848 O SER A 72 -4.581 -1.369 -3.823 1.00 0.00 O ATOM 849 CB SER A 72 -2.512 -3.644 -3.620 1.00 0.00 C ATOM 850 OG SER A 72 -2.559 -5.037 -3.880 1.00 0.00 O ATOM 0 H SER A 72 -5.272 -3.929 -3.732 1.00 0.00 H new ATOM 0 HA SER A 72 -3.274 -3.369 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.617 -3.093 -4.554 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.540 -3.381 -3.203 1.00 0.00 H new ATOM 0 HG SER A 72 -1.681 -5.433 -3.700 1.00 0.00 H new ATOM 856 N ILE A 73 -3.504 -0.933 -1.895 1.00 0.00 N ATOM 857 CA ILE A 73 -3.739 0.497 -1.954 1.00 0.00 C ATOM 858 C ILE A 73 -2.477 1.235 -2.386 1.00 0.00 C ATOM 859 O ILE A 73 -1.487 1.280 -1.654 1.00 0.00 O ATOM 860 CB ILE A 73 -4.209 1.035 -0.591 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.474 0.301 -0.144 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.453 2.533 -0.664 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.358 -0.303 1.236 1.00 0.00 C ATOM 0 H ILE A 73 -2.978 -1.240 -1.077 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.523 0.671 -2.691 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.426 0.856 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.314 0.996 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.700 -0.488 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.785 2.895 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.529 3.039 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.221 2.741 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.289 -0.809 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.539 -1.022 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.162 0.485 1.963 1.00 0.00 H new ATOM 875 N ASN A 74 -2.516 1.808 -3.583 1.00 0.00 N ATOM 876 CA ASN A 74 -1.375 2.542 -4.120 1.00 0.00 C ATOM 877 C ASN A 74 -0.150 1.639 -4.251 1.00 0.00 C ATOM 878 O ASN A 74 0.980 2.122 -4.327 1.00 0.00 O ATOM 879 CB ASN A 74 -1.044 3.738 -3.227 1.00 0.00 C ATOM 880 CG ASN A 74 -2.058 4.858 -3.357 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.045 5.615 -4.328 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.945 4.967 -2.376 1.00 0.00 N ATOM 0 H ASN A 74 -3.326 1.779 -4.202 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.646 2.900 -5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.000 3.411 -2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.055 4.116 -3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.653 5.700 -2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.919 4.317 -1.590 1.00 0.00 H new ATOM 889 N GLY A 75 -0.377 0.327 -4.278 1.00 0.00 N ATOM 890 CA GLY A 75 0.724 -0.612 -4.403 1.00 0.00 C ATOM 891 C GLY A 75 0.864 -1.516 -3.193 1.00 0.00 C ATOM 892 O GLY A 75 1.259 -2.675 -3.319 1.00 0.00 O ATOM 0 H GLY A 75 -1.301 -0.100 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.575 -1.224 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.652 -0.060 -4.548 1.00 0.00 H new ATOM 896 N THR A 76 0.545 -0.987 -2.016 1.00 0.00 N ATOM 897 CA THR A 76 0.643 -1.756 -0.781 1.00 0.00 C ATOM 898 C THR A 76 -0.406 -2.863 -0.742 1.00 0.00 C ATOM 899 O THR A 76 -1.574 -2.614 -0.446 1.00 0.00 O ATOM 900 CB THR A 76 0.477 -0.842 0.427 1.00 0.00 C ATOM 901 OG1 THR A 76 1.171 0.378 0.233 1.00 0.00 O ATOM 902 CG2 THR A 76 0.977 -1.456 1.717 1.00 0.00 C ATOM 0 H THR A 76 0.217 -0.029 -1.892 1.00 0.00 H new ATOM 0 HA THR A 76 1.631 -2.215 -0.748 1.00 0.00 H new ATOM 0 HB THR A 76 -0.596 -0.675 0.516 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.051 0.951 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.829 -0.752 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.424 -2.373 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.038 -1.685 1.623 1.00 0.00 H new ATOM 910 N SER A 77 0.020 -4.086 -1.044 1.00 0.00 N ATOM 911 CA SER A 77 -0.884 -5.232 -1.045 1.00 0.00 C ATOM 912 C SER A 77 -1.393 -5.533 0.361 1.00 0.00 C ATOM 913 O SER A 77 -0.698 -5.295 1.348 1.00 0.00 O ATOM 914 CB SER A 77 -0.176 -6.463 -1.617 1.00 0.00 C ATOM 915 OG SER A 77 -0.131 -6.417 -3.032 1.00 0.00 O ATOM 0 H SER A 77 0.984 -4.309 -1.291 1.00 0.00 H new ATOM 0 HA SER A 77 -1.740 -4.985 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.838 -6.520 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.695 -7.366 -1.296 1.00 0.00 H new ATOM 0 HG SER A 77 0.328 -7.214 -3.371 1.00 0.00 H new ATOM 921 N LEU A 78 -2.612 -6.056 0.442 1.00 0.00 N ATOM 922 CA LEU A 78 -3.219 -6.391 1.726 1.00 0.00 C ATOM 923 C LEU A 78 -3.483 -7.889 1.842 1.00 0.00 C ATOM 924 O LEU A 78 -3.592 -8.424 2.945 1.00 0.00 O ATOM 925 CB LEU A 78 -4.527 -5.620 1.912 1.00 0.00 C ATOM 926 CG LEU A 78 -4.390 -4.097 1.899 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.724 -3.441 2.214 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.325 -3.653 2.892 1.00 0.00 C ATOM 0 H LEU A 78 -3.200 -6.257 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.516 -6.106 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.219 -5.914 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.976 -5.921 2.858 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.082 -3.784 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.609 -2.357 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.460 -3.737 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.061 -3.758 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.239 -2.567 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.605 -3.976 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.367 -4.098 2.622 1.00 0.00 H new ATOM 940 N VAL A 79 -3.590 -8.565 0.700 1.00 0.00 N ATOM 941 CA VAL A 79 -3.844 -10.001 0.679 1.00 0.00 C ATOM 942 C VAL A 79 -2.874 -10.750 1.588 1.00 0.00 C ATOM 943 O VAL A 79 -1.768 -11.102 1.177 1.00 0.00 O ATOM 944 CB VAL A 79 -3.733 -10.569 -0.749 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.139 -12.035 -0.777 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.581 -9.755 -1.718 1.00 0.00 C ATOM 0 H VAL A 79 -3.504 -8.139 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.861 -10.145 1.044 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.692 -10.499 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.054 -12.417 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.485 -12.606 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.170 -12.133 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.489 -10.172 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.625 -9.789 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.237 -8.721 -1.722 1.00 0.00 H new ATOM 956 N GLY A 80 -3.298 -10.992 2.825 1.00 0.00 N ATOM 957 CA GLY A 80 -2.456 -11.699 3.773 1.00 0.00 C ATOM 958 C GLY A 80 -2.069 -10.850 4.970 1.00 0.00 C ATOM 959 O GLY A 80 -1.330 -11.306 5.845 1.00 0.00 O ATOM 0 H GLY A 80 -4.209 -10.711 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.978 -12.590 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.552 -12.037 3.266 1.00 0.00 H new ATOM 963 N LEU A 81 -2.562 -9.614 5.018 1.00 0.00 N ATOM 964 CA LEU A 81 -2.253 -8.716 6.125 1.00 0.00 C ATOM 965 C LEU A 81 -3.466 -8.519 7.029 1.00 0.00 C ATOM 966 O LEU A 81 -4.608 -8.598 6.576 1.00 0.00 O ATOM 967 CB LEU A 81 -1.780 -7.355 5.603 1.00 0.00 C ATOM 968 CG LEU A 81 -0.947 -7.390 4.320 1.00 0.00 C ATOM 969 CD1 LEU A 81 -0.236 -6.061 4.117 1.00 0.00 C ATOM 970 CD2 LEU A 81 0.058 -8.532 4.362 1.00 0.00 C ATOM 0 H LEU A 81 -3.174 -9.214 4.306 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.453 -9.176 6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.655 -6.729 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.192 -6.872 6.383 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.618 -7.558 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.353 -6.100 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.973 -5.262 4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.423 -5.868 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.640 -8.539 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.727 -8.397 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.472 -9.479 4.464 1.00 0.00 H new ATOM 982 N PRO A 82 -3.230 -8.250 8.323 1.00 0.00 N ATOM 983 CA PRO A 82 -4.306 -8.030 9.292 1.00 0.00 C ATOM 984 C PRO A 82 -5.001 -6.691 9.073 1.00 0.00 C ATOM 985 O PRO A 82 -4.516 -5.848 8.319 1.00 0.00 O ATOM 986 CB PRO A 82 -3.576 -8.042 10.635 1.00 0.00 C ATOM 987 CG PRO A 82 -2.193 -7.595 10.313 1.00 0.00 C ATOM 988 CD PRO A 82 -1.896 -8.130 8.940 1.00 0.00 C ATOM 0 HA PRO A 82 -5.093 -8.780 9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.052 -7.373 11.351 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.578 -9.038 11.079 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.119 -6.508 10.333 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.479 -7.976 11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.252 -7.455 8.376 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.386 -9.092 8.986 1.00 0.00 H new ATOM 996 N LEU A 83 -6.138 -6.501 9.730 1.00 0.00 N ATOM 997 CA LEU A 83 -6.893 -5.262 9.598 1.00 0.00 C ATOM 998 C LEU A 83 -6.077 -4.071 10.088 1.00 0.00 C ATOM 999 O LEU A 83 -6.029 -3.030 9.432 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.209 -5.353 10.374 1.00 0.00 C ATOM 1001 CG LEU A 83 -8.994 -4.043 10.479 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.188 -3.425 9.104 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.336 -4.279 11.155 1.00 0.00 C ATOM 0 H LEU A 83 -6.557 -7.187 10.358 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.116 -5.114 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.843 -6.101 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.995 -5.712 11.381 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.420 -3.346 11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.748 -2.495 9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.215 -3.219 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.740 -4.117 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.881 -3.337 11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.917 -4.994 10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.174 -4.676 12.157 1.00 0.00 H new ATOM 1015 N SER A 84 -5.434 -4.226 11.241 1.00 0.00 N ATOM 1016 CA SER A 84 -4.621 -3.157 11.806 1.00 0.00 C ATOM 1017 C SER A 84 -3.595 -2.673 10.788 1.00 0.00 C ATOM 1018 O SER A 84 -3.381 -1.469 10.624 1.00 0.00 O ATOM 1019 CB SER A 84 -3.911 -3.641 13.072 1.00 0.00 C ATOM 1020 OG SER A 84 -3.054 -2.639 13.592 1.00 0.00 O ATOM 0 H SER A 84 -5.460 -5.079 11.800 1.00 0.00 H new ATOM 0 HA SER A 84 -5.278 -2.326 12.065 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.650 -3.918 13.824 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.333 -4.538 12.848 1.00 0.00 H new ATOM 0 HG SER A 84 -2.614 -2.973 14.401 1.00 0.00 H new ATOM 1026 N THR A 85 -2.972 -3.621 10.098 1.00 0.00 N ATOM 1027 CA THR A 85 -1.974 -3.297 9.091 1.00 0.00 C ATOM 1028 C THR A 85 -2.602 -2.547 7.921 1.00 0.00 C ATOM 1029 O THR A 85 -2.118 -1.485 7.532 1.00 0.00 O ATOM 1030 CB THR A 85 -1.287 -4.568 8.595 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.542 -5.173 9.638 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.341 -4.334 7.435 1.00 0.00 C ATOM 0 H THR A 85 -3.142 -4.620 10.219 1.00 0.00 H new ATOM 0 HA THR A 85 -1.228 -2.649 9.551 1.00 0.00 H new ATOM 0 HB THR A 85 -2.096 -5.214 8.254 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.014 -5.890 9.269 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.110 -5.280 7.137 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.893 -3.914 6.594 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.442 -3.639 7.738 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.683 -3.097 7.366 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.370 -2.471 6.237 1.00 0.00 C ATOM 1042 C CYS A 86 -4.783 -1.042 6.570 1.00 0.00 C ATOM 1043 O CYS A 86 -4.411 -0.098 5.870 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.599 -3.291 5.841 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.265 -5.053 5.606 1.00 0.00 S ATOM 0 H CYS A 86 -4.101 -3.973 7.680 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.676 -2.440 5.397 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.363 -3.176 6.610 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.012 -2.884 4.918 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.073 -5.616 6.762 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.547 -0.884 7.648 1.00 0.00 N ATOM 1052 CA GLN A 87 -5.998 0.436 8.071 1.00 0.00 C ATOM 1053 C GLN A 87 -4.819 1.402 8.120 1.00 0.00 C ATOM 1054 O GLN A 87 -4.925 2.554 7.699 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.678 0.357 9.437 1.00 0.00 C ATOM 1056 CG GLN A 87 -7.988 -0.416 9.414 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.563 -0.640 10.800 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -9.741 -0.379 11.043 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.735 -1.129 11.713 1.00 0.00 N ATOM 0 H GLN A 87 -5.865 -1.651 8.241 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.724 0.805 7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.998 -0.115 10.147 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.867 1.367 9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.714 0.126 8.808 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.827 -1.380 8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.766 -1.331 11.467 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.067 -1.304 12.661 1.00 0.00 H new ATOM 1068 N SER A 88 -3.689 0.912 8.622 1.00 0.00 N ATOM 1069 CA SER A 88 -2.483 1.717 8.710 1.00 0.00 C ATOM 1070 C SER A 88 -2.031 2.153 7.319 1.00 0.00 C ATOM 1071 O SER A 88 -1.568 3.279 7.126 1.00 0.00 O ATOM 1072 CB SER A 88 -1.367 0.931 9.401 1.00 0.00 C ATOM 1073 OG SER A 88 -1.765 0.507 10.693 1.00 0.00 O ATOM 0 H SER A 88 -3.587 -0.040 8.973 1.00 0.00 H new ATOM 0 HA SER A 88 -2.705 2.606 9.301 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.101 0.064 8.796 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.475 1.552 9.478 1.00 0.00 H new ATOM 0 HG SER A 88 -2.420 -0.217 10.612 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.165 1.246 6.353 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.771 1.516 4.978 1.00 0.00 C ATOM 1081 C ILE A 89 -2.506 2.720 4.400 1.00 0.00 C ATOM 1082 O ILE A 89 -1.891 3.614 3.820 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.059 0.299 4.080 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.564 -0.986 4.741 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.419 0.476 2.716 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.113 -0.932 5.174 1.00 0.00 C ATOM 0 H ILE A 89 -2.547 0.312 6.503 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.702 1.728 4.998 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.138 0.223 3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.185 -1.198 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.695 -1.815 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.635 -0.395 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.822 1.369 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.340 0.581 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.165 -1.880 5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.520 -0.751 4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.022 -0.125 5.895 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.826 2.724 4.543 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.645 3.799 4.021 1.00 0.00 C ATOM 1100 C ILE A 90 -4.554 5.059 4.875 1.00 0.00 C ATOM 1101 O ILE A 90 -4.324 6.151 4.360 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.115 3.372 3.924 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.243 1.981 3.298 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -6.878 4.389 3.113 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.597 1.343 3.519 1.00 0.00 C ATOM 0 H ILE A 90 -4.349 1.989 5.019 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.258 4.024 3.027 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.534 3.322 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.055 2.054 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.472 1.332 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.923 4.088 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.813 5.363 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.450 4.452 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.617 0.360 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.779 1.238 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.371 1.971 3.079 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.742 4.910 6.180 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.680 6.055 7.082 1.00 0.00 C ATOM 1119 C LYS A 91 -3.351 6.785 6.943 1.00 0.00 C ATOM 1120 O LYS A 91 -3.247 7.974 7.246 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.894 5.618 8.527 1.00 0.00 C ATOM 1122 CG LYS A 91 -3.821 4.680 9.033 1.00 0.00 C ATOM 1123 CD LYS A 91 -2.715 5.432 9.754 1.00 0.00 C ATOM 1124 CE LYS A 91 -2.905 5.396 11.261 1.00 0.00 C ATOM 1125 NZ LYS A 91 -2.102 4.316 11.897 1.00 0.00 N ATOM 0 H LYS A 91 -4.937 4.018 6.635 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.480 6.742 6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.926 6.501 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.864 5.128 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.265 3.949 9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.398 4.125 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.750 4.995 9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.696 6.467 9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.620 6.358 11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.960 5.247 11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.260 4.325 12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.392 3.395 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.093 4.472 11.700 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.341 6.065 6.474 1.00 0.00 N ATOM 1140 CA GLY A 92 -1.029 6.655 6.287 1.00 0.00 C ATOM 1141 C GLY A 92 -1.015 7.680 5.169 1.00 0.00 C ATOM 1142 O GLY A 92 -0.439 8.759 5.314 1.00 0.00 O ATOM 0 H GLY A 92 -2.407 5.080 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.710 7.128 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.307 5.869 6.066 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.652 7.345 4.049 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.709 8.250 2.905 1.00 0.00 C ATOM 1148 C LEU A 93 -2.873 9.229 3.041 1.00 0.00 C ATOM 1149 O LEU A 93 -3.792 9.239 2.225 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.830 7.464 1.598 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.991 6.472 1.540 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.129 7.027 0.693 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.522 5.130 0.998 1.00 0.00 C ATOM 0 H LEU A 93 -2.134 6.457 3.910 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.780 8.820 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.936 8.172 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.900 6.920 1.432 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.363 6.320 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.946 6.306 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.484 7.961 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.772 7.212 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.363 4.437 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.121 5.263 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.745 4.727 1.648 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.821 10.055 4.081 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.868 11.040 4.328 1.00 0.00 C ATOM 1167 C LYS A 94 -3.624 12.315 3.526 1.00 0.00 C ATOM 1168 O LYS A 94 -4.554 13.073 3.252 1.00 0.00 O ATOM 1169 CB LYS A 94 -3.942 11.370 5.821 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.286 11.935 6.255 1.00 0.00 C ATOM 1171 CD LYS A 94 -5.179 13.400 6.648 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.855 13.561 8.125 1.00 0.00 C ATOM 1173 NZ LYS A 94 -5.782 14.513 8.798 1.00 0.00 N ATOM 0 H LYS A 94 -2.065 10.062 4.766 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.817 10.610 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.735 10.467 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.160 12.089 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.005 11.827 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.668 11.359 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.405 13.882 6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.117 13.907 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.912 12.590 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.830 13.914 8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.527 14.594 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.709 15.447 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.758 14.164 8.716 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.368 12.550 3.156 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.009 13.738 2.389 1.00 0.00 C ATOM 1189 C ASN A 95 -1.861 13.415 0.907 1.00 0.00 C ATOM 1190 O ASN A 95 -0.974 13.938 0.233 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.709 14.338 2.926 1.00 0.00 C ATOM 1192 CG ASN A 95 -0.871 14.916 4.319 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -0.976 16.129 4.493 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -0.892 14.043 5.321 1.00 0.00 N ATOM 0 H ASN A 95 -1.584 11.935 3.374 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.813 14.465 2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.063 13.569 2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.366 15.120 2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.999 14.371 6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.802 13.045 5.130 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.731 12.548 0.399 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.690 12.160 -1.003 1.00 0.00 C ATOM 1203 C GLN A 96 -3.677 12.975 -1.829 1.00 0.00 C ATOM 1204 O GLN A 96 -4.603 13.584 -1.293 1.00 0.00 O ATOM 1205 CB GLN A 96 -3.001 10.672 -1.147 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.761 9.816 -1.309 1.00 0.00 C ATOM 1207 CD GLN A 96 -2.083 8.385 -1.692 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -3.102 8.113 -2.324 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -1.208 7.463 -1.307 1.00 0.00 N ATOM 0 H GLN A 96 -3.472 12.102 0.939 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.685 12.357 -1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.554 10.336 -0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.651 10.525 -2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.118 10.256 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.198 9.820 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.376 7.736 -0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.368 6.482 -1.534 1.00 0.00 H new ATOM 1218 N SER A 97 -3.473 12.974 -3.143 1.00 0.00 N ATOM 1219 CA SER A 97 -4.345 13.704 -4.054 1.00 0.00 C ATOM 1220 C SER A 97 -5.029 12.755 -5.038 1.00 0.00 C ATOM 1221 O SER A 97 -5.955 13.145 -5.751 1.00 0.00 O ATOM 1222 CB SER A 97 -3.546 14.767 -4.813 1.00 0.00 C ATOM 1223 OG SER A 97 -2.927 14.219 -5.963 1.00 0.00 O ATOM 0 H SER A 97 -2.710 12.475 -3.600 1.00 0.00 H new ATOM 0 HA SER A 97 -5.118 14.195 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.207 15.582 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.787 15.193 -4.157 1.00 0.00 H new ATOM 0 HG SER A 97 -2.425 14.920 -6.430 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.575 11.504 -5.065 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.141 10.494 -5.953 1.00 0.00 C ATOM 1231 C ARG A 98 -4.884 9.098 -5.394 1.00 0.00 C ATOM 1232 O ARG A 98 -3.736 8.674 -5.264 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.539 10.615 -7.356 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.507 10.259 -8.471 1.00 0.00 C ATOM 1235 CD ARG A 98 -6.324 11.459 -8.912 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.489 12.630 -9.173 1.00 0.00 N ATOM 1237 CZ ARG A 98 -4.837 12.837 -10.316 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.916 11.956 -11.305 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -4.102 13.930 -10.469 1.00 0.00 N ATOM 0 H ARG A 98 -3.813 11.165 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.217 10.657 -6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.189 11.636 -7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.666 9.966 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.952 9.864 -9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.176 9.468 -8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.882 11.205 -9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.056 11.701 -8.141 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.400 13.330 -8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.479 11.113 -11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.414 12.122 -12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.037 14.611 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.602 14.090 -11.344 1.00 0.00 H new ATOM 1253 N VAL A 99 -5.957 8.393 -5.050 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.837 7.053 -4.489 1.00 0.00 C ATOM 1255 C VAL A 99 -6.068 5.973 -5.541 1.00 0.00 C ATOM 1256 O VAL A 99 -7.155 5.869 -6.110 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.833 6.839 -3.331 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.493 5.573 -2.564 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.844 8.046 -2.403 1.00 0.00 C ATOM 0 H VAL A 99 -6.916 8.726 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.817 6.969 -4.114 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.832 6.726 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.206 5.438 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.542 4.716 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.486 5.655 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.553 7.876 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.847 8.195 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.140 8.933 -2.963 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.041 5.164 -5.782 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.129 4.077 -6.752 1.00 0.00 C ATOM 1271 C LYS A 100 -5.267 2.741 -6.032 1.00 0.00 C ATOM 1272 O LYS A 100 -4.278 2.165 -5.579 1.00 0.00 O ATOM 1273 CB LYS A 100 -3.888 4.058 -7.646 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.050 4.850 -8.932 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.436 4.125 -10.120 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.429 3.992 -11.263 1.00 0.00 C ATOM 1277 NZ LYS A 100 -3.804 3.395 -12.476 1.00 0.00 N ATOM 0 H LYS A 100 -4.136 5.241 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.009 4.240 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.042 4.459 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.646 3.025 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.109 5.025 -9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.580 5.827 -8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.555 4.667 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.101 3.135 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.268 3.373 -10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.833 4.974 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.514 3.322 -13.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.020 3.999 -12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.441 2.447 -12.249 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.498 2.261 -5.915 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.765 1.000 -5.235 1.00 0.00 C ATOM 1293 C LEU A 101 -7.189 -0.082 -6.216 1.00 0.00 C ATOM 1294 O LEU A 101 -7.722 0.204 -7.285 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.861 1.175 -4.176 1.00 0.00 C ATOM 1296 CG LEU A 101 -7.972 2.572 -3.560 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.430 2.923 -3.300 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.164 2.648 -2.274 1.00 0.00 C ATOM 0 H LEU A 101 -7.328 2.726 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.837 0.693 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.820 0.919 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.684 0.458 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.566 3.297 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.492 3.919 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.982 2.905 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.862 2.197 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.252 3.647 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.543 1.915 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.117 2.437 -2.489 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.968 -1.332 -5.830 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.352 -2.470 -6.651 1.00 0.00 C ATOM 1312 C ASN A 102 -8.226 -3.406 -5.830 1.00 0.00 C ATOM 1313 O ASN A 102 -7.723 -4.276 -5.121 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.115 -3.211 -7.166 1.00 0.00 C ATOM 1315 CG ASN A 102 -6.262 -3.624 -8.617 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -5.980 -4.764 -8.983 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.704 -2.690 -9.451 1.00 0.00 N ATOM 0 H ASN A 102 -6.522 -1.583 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.912 -2.113 -7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.239 -2.572 -7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.941 -4.096 -6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.822 -2.905 -10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.925 -1.758 -9.102 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.537 -3.199 -5.899 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.467 -4.009 -5.123 1.00 0.00 C ATOM 1326 C ILE A 103 -11.316 -4.919 -6.004 1.00 0.00 C ATOM 1327 O ILE A 103 -11.320 -4.794 -7.229 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.373 -3.123 -4.231 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.638 -2.665 -4.961 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.600 -1.910 -3.738 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.733 -2.234 -4.013 1.00 0.00 C ATOM 0 H ILE A 103 -9.976 -2.484 -6.479 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.862 -4.648 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.683 -3.734 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.390 -1.836 -5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.005 -3.477 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.247 -1.296 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.739 -2.239 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.258 -1.325 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.606 -1.919 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.004 -3.069 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.380 -1.403 -3.403 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.033 -5.833 -5.360 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.893 -6.774 -6.064 1.00 0.00 C ATOM 1345 C VAL A 104 -14.354 -6.558 -5.689 1.00 0.00 C ATOM 1346 O VAL A 104 -14.715 -6.583 -4.511 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.510 -8.234 -5.751 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.151 -9.182 -6.753 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -10.997 -8.402 -5.742 1.00 0.00 C ATOM 0 H VAL A 104 -12.035 -5.942 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.756 -6.592 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.886 -8.482 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.869 -10.208 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.235 -9.084 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.809 -8.935 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.747 -9.439 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.595 -8.134 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.563 -7.753 -4.981 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.189 -6.345 -6.699 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.612 -6.125 -6.481 1.00 0.00 C ATOM 1361 C ARG A 105 -17.383 -7.437 -6.588 1.00 0.00 C ATOM 1362 O ARG A 105 -16.918 -8.391 -7.212 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.152 -5.117 -7.496 1.00 0.00 C ATOM 1364 CG ARG A 105 -18.222 -4.202 -6.929 1.00 0.00 C ATOM 1365 CD ARG A 105 -19.259 -3.837 -7.978 1.00 0.00 C ATOM 1366 NE ARG A 105 -20.204 -2.838 -7.489 1.00 0.00 N ATOM 1367 CZ ARG A 105 -21.009 -2.129 -8.278 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -20.987 -2.307 -9.592 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -21.839 -1.239 -7.750 1.00 0.00 N ATOM 0 H ARG A 105 -14.904 -6.320 -7.678 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.747 -5.725 -5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.326 -4.511 -7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.562 -5.657 -8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -18.712 -4.692 -6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.758 -3.294 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.757 -3.456 -8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.802 -4.733 -8.278 1.00 0.00 H new ATOM 0 HE ARG A 105 -20.251 -2.673 -6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.351 -2.990 -10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.606 -1.761 -10.191 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.860 -1.098 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -22.456 -0.696 -8.354 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.221 3.247 13.815 1.00 0.00 N ATOM 1385 CA PRO B -3 -14.903 2.652 13.576 1.00 0.00 C ATOM 1386 C PRO B -3 -13.953 3.616 12.874 1.00 0.00 C ATOM 1387 O PRO B -3 -14.384 4.613 12.294 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.217 1.459 12.674 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.449 1.858 11.941 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.244 2.709 12.895 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.162 4.259 13.703 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.504 3.070 14.779 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.399 2.383 14.504 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.396 1.254 11.987 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.379 0.552 13.257 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.202 2.413 11.036 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.019 0.982 11.632 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -17.774 3.506 12.374 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -17.993 2.122 13.427 1.00 0.00 H new ATOM 1398 N VAL B -2 -12.659 3.315 12.929 1.00 0.00 N ATOM 1399 CA VAL B -2 -11.653 4.159 12.295 1.00 0.00 C ATOM 1400 C VAL B -2 -11.933 4.319 10.804 1.00 0.00 C ATOM 1401 O VAL B -2 -12.044 3.335 10.074 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.237 3.583 12.480 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -9.842 3.597 13.949 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.156 2.174 11.911 1.00 0.00 C ATOM 0 H VAL B -2 -12.284 2.495 13.405 1.00 0.00 H new ATOM 0 HA VAL B -2 -11.706 5.133 12.780 1.00 0.00 H new ATOM 0 HB VAL B -2 -9.534 4.212 11.934 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -8.838 3.186 14.060 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -9.858 4.622 14.320 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -10.546 2.993 14.521 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.148 1.783 12.050 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -10.869 1.532 12.427 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -10.392 2.197 10.847 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.051 5.567 10.361 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.324 5.856 8.958 1.00 0.00 C ATOM 1416 C TYR B -1 -11.060 6.300 8.231 1.00 0.00 C ATOM 1417 O TYR B -1 -10.519 7.372 8.504 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.394 6.943 8.842 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.808 6.407 8.801 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.383 5.998 7.604 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.570 6.315 9.958 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.675 5.513 7.561 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -16.864 5.830 9.924 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.410 5.431 8.724 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.699 4.948 8.687 1.00 0.00 O ATOM 0 H TYR B -1 -11.962 6.393 10.953 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.685 4.940 8.491 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.298 7.625 9.687 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.210 7.526 7.939 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.809 6.061 6.691 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.145 6.628 10.900 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -17.107 5.200 6.622 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.443 5.764 10.833 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.077 4.955 9.591 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.598 5.476 7.296 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.403 5.791 6.523 1.00 0.00 C ATOM 1437 C ILE B 0 -9.748 6.688 5.342 1.00 0.00 C ATOM 1438 O ILE B 0 -10.943 7.008 5.174 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.701 4.516 6.009 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.629 3.710 5.093 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.239 3.661 7.179 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -9.850 4.336 3.730 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.820 7.056 4.590 1.00 0.00 O ATOM 0 H ILE B 0 -11.033 4.585 7.056 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.719 6.314 7.191 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.830 4.818 5.428 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.212 2.712 4.959 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.594 3.589 5.586 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.746 2.765 6.802 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.540 4.230 7.792 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.100 3.374 7.783 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.517 3.705 3.144 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.297 5.323 3.851 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -8.895 4.431 3.214 1.00 0.00 H new