USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 715 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 85 THR OG1 : rot -170:sc= -0.451 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= 1.69 (180deg=-2.57) USER MOD Single : A 26 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -177:sc= 0.346 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -2.9 USER MOD Single : A 51 ASN :FLIP amide:sc= -1.29 F(o=-3.9,f=-1.3) USER MOD Single : A 52 MET CE :methyl 166:sc= -2.07 (180deg=-3.88!) USER MOD Single : A 53 MET CE :methyl -163:sc= -2.28 (180deg=-2.92!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 60 LYS NZ :NH3+ -112:sc= 0.257 (180deg=-0.239) USER MOD Single : A 61 SER OG : rot 103:sc= -0.772 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 69 GLN : amide:sc= -6.79! C(o=-6.8!,f=-12!) USER MOD Single : A 71 MET CE :methyl 134:sc= -6.26! (180deg=-6.54!) USER MOD Single : A 72 SER OG : rot 141:sc= -2.3 USER MOD Single : A 74 ASN : amide:sc= -2.18 K(o=-2.2,f=-8.7!) USER MOD Single : A 76 THR OG1 : rot 79:sc= 0.917 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 52:sc= 0.362 USER MOD Single : A 87 GLN : amide:sc= -7.09! C(o=-7.1!,f=-12!) USER MOD Single : A 88 SER OG : rot -66:sc= 1.15 USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.0212 (180deg=-0.223) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -3.15 K(o=-3.1,f=-6.8!) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.23 F(o=-2,f=-1.2) USER MOD Single : A 97 SER OG : rot -92:sc= -1.07 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -1.44! C(o=-2!,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -2.665 -7.751 -10.071 1.00 0.00 N ATOM 2 CA GLU A 17 -2.919 -6.378 -10.491 1.00 0.00 C ATOM 3 C GLU A 17 -1.830 -5.429 -9.995 1.00 0.00 C ATOM 4 O GLU A 17 -1.912 -4.893 -8.892 1.00 0.00 O ATOM 5 CB GLU A 17 -4.288 -5.915 -9.986 1.00 0.00 C ATOM 6 CG GLU A 17 -5.400 -6.071 -11.011 1.00 0.00 C ATOM 7 CD GLU A 17 -5.091 -5.367 -12.317 1.00 0.00 C ATOM 8 OE1 GLU A 17 -4.548 -4.243 -12.273 1.00 0.00 O ATOM 9 OE2 GLU A 17 -5.392 -5.939 -13.387 1.00 0.00 O ATOM 0 HA GLU A 17 -2.911 -6.357 -11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.547 -6.482 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.222 -4.868 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.565 -7.131 -11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.328 -5.674 -10.599 1.00 0.00 H new ATOM 16 N PHE A 18 -0.816 -5.218 -10.831 1.00 0.00 N ATOM 17 CA PHE A 18 0.289 -4.323 -10.495 1.00 0.00 C ATOM 18 C PHE A 18 -0.155 -2.868 -10.626 1.00 0.00 C ATOM 19 O PHE A 18 -1.013 -2.549 -11.449 1.00 0.00 O ATOM 20 CB PHE A 18 1.482 -4.595 -11.412 1.00 0.00 C ATOM 21 CG PHE A 18 2.627 -5.290 -10.732 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.399 -6.337 -9.852 1.00 0.00 C ATOM 23 CD2 PHE A 18 3.934 -4.899 -10.976 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.453 -6.977 -9.229 1.00 0.00 C ATOM 25 CE2 PHE A 18 4.990 -5.535 -10.354 1.00 0.00 C ATOM 26 CZ PHE A 18 4.749 -6.575 -9.481 1.00 0.00 C ATOM 0 H PHE A 18 -0.737 -5.656 -11.749 1.00 0.00 H new ATOM 0 HA PHE A 18 0.590 -4.506 -9.463 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.150 -5.202 -12.254 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.836 -3.649 -11.822 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.387 -6.656 -9.651 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.129 -4.087 -11.661 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.263 -7.791 -8.545 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.004 -5.218 -10.551 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.574 -7.075 -8.995 1.00 0.00 H new ATOM 36 N LYS A 19 0.414 -1.986 -9.805 1.00 0.00 N ATOM 37 CA LYS A 19 0.037 -0.579 -9.845 1.00 0.00 C ATOM 38 C LYS A 19 1.196 0.351 -9.480 1.00 0.00 C ATOM 39 O LYS A 19 1.683 0.336 -8.351 1.00 0.00 O ATOM 40 CB LYS A 19 -1.133 -0.336 -8.891 1.00 0.00 C ATOM 41 CG LYS A 19 -2.312 0.360 -9.544 1.00 0.00 C ATOM 42 CD LYS A 19 -3.508 0.425 -8.609 1.00 0.00 C ATOM 43 CE LYS A 19 -4.585 1.356 -9.144 1.00 0.00 C ATOM 44 NZ LYS A 19 -5.953 0.845 -8.856 1.00 0.00 N ATOM 0 H LYS A 19 1.128 -2.219 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.252 -0.350 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.465 -1.292 -8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.787 0.265 -8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.023 1.369 -9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.590 -0.170 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.923 -0.574 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.184 0.768 -7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.465 2.344 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.461 1.474 -10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.658 1.508 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.077 -0.086 -9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.081 0.756 -7.828 1.00 0.00 H new ATOM 58 N ASP A 20 1.600 1.191 -10.435 1.00 0.00 N ATOM 59 CA ASP A 20 2.665 2.162 -10.202 1.00 0.00 C ATOM 60 C ASP A 20 2.106 3.328 -9.403 1.00 0.00 C ATOM 61 O ASP A 20 1.730 4.358 -9.963 1.00 0.00 O ATOM 62 CB ASP A 20 3.244 2.666 -11.527 1.00 0.00 C ATOM 63 CG ASP A 20 2.166 3.067 -12.515 1.00 0.00 C ATOM 64 OD1 ASP A 20 1.307 2.219 -12.835 1.00 0.00 O ATOM 65 OD2 ASP A 20 2.182 4.231 -12.972 1.00 0.00 O ATOM 0 H ASP A 20 1.205 1.217 -11.375 1.00 0.00 H new ATOM 0 HA ASP A 20 3.468 1.680 -9.644 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.893 3.521 -11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.866 1.887 -11.968 1.00 0.00 H new ATOM 70 N VAL A 21 2.029 3.149 -8.091 1.00 0.00 N ATOM 71 CA VAL A 21 1.483 4.172 -7.214 1.00 0.00 C ATOM 72 C VAL A 21 2.420 5.356 -7.076 1.00 0.00 C ATOM 73 O VAL A 21 3.569 5.213 -6.658 1.00 0.00 O ATOM 74 CB VAL A 21 1.179 3.612 -5.814 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.434 4.641 -4.975 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.386 2.322 -5.924 1.00 0.00 C ATOM 0 H VAL A 21 2.339 2.303 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 21 0.555 4.506 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 21 2.122 3.392 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.228 4.226 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.045 5.537 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.506 4.898 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.178 1.937 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.554 2.515 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.964 1.586 -6.484 1.00 0.00 H new ATOM 86 N PHE A 22 1.906 6.529 -7.409 1.00 0.00 N ATOM 87 CA PHE A 22 2.681 7.750 -7.300 1.00 0.00 C ATOM 88 C PHE A 22 2.061 8.650 -6.244 1.00 0.00 C ATOM 89 O PHE A 22 1.031 9.283 -6.481 1.00 0.00 O ATOM 90 CB PHE A 22 2.727 8.479 -8.646 1.00 0.00 C ATOM 91 CG PHE A 22 4.046 9.139 -8.948 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.060 9.192 -7.998 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.275 9.705 -10.192 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.265 9.791 -8.286 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.484 10.306 -10.483 1.00 0.00 C ATOM 96 CZ PHE A 22 6.478 10.346 -9.527 1.00 0.00 C ATOM 0 H PHE A 22 0.956 6.659 -7.757 1.00 0.00 H new ATOM 0 HA PHE A 22 3.701 7.497 -7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.500 7.767 -9.440 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.943 9.236 -8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.900 8.758 -7.022 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.499 9.676 -10.943 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.043 9.825 -7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.651 10.743 -11.456 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.425 10.814 -9.753 1.00 0.00 H new ATOM 106 N ILE A 23 2.682 8.700 -5.074 1.00 0.00 N ATOM 107 CA ILE A 23 2.171 9.520 -3.989 1.00 0.00 C ATOM 108 C ILE A 23 2.928 10.836 -3.899 1.00 0.00 C ATOM 109 O ILE A 23 4.055 10.886 -3.406 1.00 0.00 O ATOM 110 CB ILE A 23 2.265 8.781 -2.642 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.677 7.370 -2.773 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.558 9.568 -1.549 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.165 7.336 -2.882 1.00 0.00 C ATOM 0 H ILE A 23 3.535 8.185 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 23 1.123 9.726 -4.205 1.00 0.00 H new ATOM 0 HB ILE A 23 3.315 8.691 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.105 6.890 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.981 6.780 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.636 9.029 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.024 10.548 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.507 9.691 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.170 6.303 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.274 7.784 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.149 7.897 -3.762 1.00 0.00 H new ATOM 125 N GLU A 24 2.292 11.898 -4.378 1.00 0.00 N ATOM 126 CA GLU A 24 2.885 13.229 -4.358 1.00 0.00 C ATOM 127 C GLU A 24 2.429 13.991 -3.117 1.00 0.00 C ATOM 128 O GLU A 24 1.231 14.148 -2.882 1.00 0.00 O ATOM 129 CB GLU A 24 2.487 13.998 -5.622 1.00 0.00 C ATOM 130 CG GLU A 24 3.642 14.729 -6.285 1.00 0.00 C ATOM 131 CD GLU A 24 3.206 16.010 -6.967 1.00 0.00 C ATOM 132 OE1 GLU A 24 3.105 17.046 -6.277 1.00 0.00 O ATOM 133 OE2 GLU A 24 2.967 15.978 -8.193 1.00 0.00 O ATOM 0 H GLU A 24 1.359 11.862 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 24 3.970 13.130 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.052 13.301 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.711 14.720 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.399 14.960 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.110 14.072 -7.018 1.00 0.00 H new ATOM 140 N LYS A 25 3.384 14.456 -2.321 1.00 0.00 N ATOM 141 CA LYS A 25 3.064 15.190 -1.102 1.00 0.00 C ATOM 142 C LYS A 25 4.062 16.317 -0.861 1.00 0.00 C ATOM 143 O LYS A 25 4.876 16.637 -1.727 1.00 0.00 O ATOM 144 CB LYS A 25 3.052 14.237 0.096 1.00 0.00 C ATOM 145 CG LYS A 25 4.409 13.618 0.396 1.00 0.00 C ATOM 146 CD LYS A 25 4.267 12.291 1.122 1.00 0.00 C ATOM 147 CE LYS A 25 5.329 11.297 0.679 1.00 0.00 C ATOM 148 NZ LYS A 25 5.876 10.519 1.825 1.00 0.00 N ATOM 0 H LYS A 25 4.382 14.339 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 25 2.075 15.632 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.706 14.778 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.332 13.440 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.956 13.468 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.997 14.305 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.345 12.453 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.277 11.876 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.902 10.612 -0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.140 11.830 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.863 10.259 1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.836 11.098 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.311 9.656 1.960 1.00 0.00 H new ATOM 162 N GLN A 26 3.992 16.913 0.324 1.00 0.00 N ATOM 163 CA GLN A 26 4.890 18.000 0.687 1.00 0.00 C ATOM 164 C GLN A 26 6.005 17.486 1.588 1.00 0.00 C ATOM 165 O GLN A 26 5.803 16.558 2.370 1.00 0.00 O ATOM 166 CB GLN A 26 4.118 19.117 1.394 1.00 0.00 C ATOM 167 CG GLN A 26 2.765 19.415 0.769 1.00 0.00 C ATOM 168 CD GLN A 26 2.872 19.815 -0.690 1.00 0.00 C ATOM 169 OE1 GLN A 26 3.284 20.930 -1.012 1.00 0.00 O ATOM 170 NE2 GLN A 26 2.496 18.905 -1.582 1.00 0.00 N ATOM 0 H GLN A 26 3.321 16.660 1.050 1.00 0.00 H new ATOM 0 HA GLN A 26 5.331 18.402 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.973 18.841 2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.721 20.025 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.128 18.535 0.855 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.280 20.216 1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.161 17.993 -1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.543 19.118 -2.578 1.00 0.00 H new ATOM 179 N LYS A 27 7.183 18.088 1.478 1.00 0.00 N ATOM 180 CA LYS A 27 8.323 17.678 2.287 1.00 0.00 C ATOM 181 C LYS A 27 7.977 17.716 3.770 1.00 0.00 C ATOM 182 O LYS A 27 7.425 18.695 4.268 1.00 0.00 O ATOM 183 CB LYS A 27 9.524 18.567 1.995 1.00 0.00 C ATOM 184 CG LYS A 27 10.092 18.349 0.605 1.00 0.00 C ATOM 185 CD LYS A 27 11.575 18.021 0.652 1.00 0.00 C ATOM 186 CE LYS A 27 12.080 17.529 -0.694 1.00 0.00 C ATOM 187 NZ LYS A 27 12.569 18.648 -1.547 1.00 0.00 N ATOM 0 H LYS A 27 7.373 18.859 0.838 1.00 0.00 H new ATOM 0 HA LYS A 27 8.578 16.651 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.232 19.612 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.301 18.375 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.555 17.537 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.936 19.244 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.135 18.907 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.756 17.259 1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.886 16.812 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.279 17.001 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.905 18.270 -2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.793 19.320 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.351 19.136 -1.065 1.00 0.00 H new ATOM 201 N GLY A 28 8.290 16.628 4.462 1.00 0.00 N ATOM 202 CA GLY A 28 7.991 16.532 5.874 1.00 0.00 C ATOM 203 C GLY A 28 6.668 15.834 6.119 1.00 0.00 C ATOM 204 O GLY A 28 6.129 15.878 7.225 1.00 0.00 O ATOM 0 H GLY A 28 8.748 15.807 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.789 15.988 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.962 17.531 6.309 1.00 0.00 H new ATOM 208 N GLU A 29 6.139 15.193 5.075 1.00 0.00 N ATOM 209 CA GLU A 29 4.862 14.488 5.180 1.00 0.00 C ATOM 210 C GLU A 29 5.020 13.001 4.873 1.00 0.00 C ATOM 211 O GLU A 29 5.737 12.621 3.947 1.00 0.00 O ATOM 212 CB GLU A 29 3.837 15.102 4.221 1.00 0.00 C ATOM 213 CG GLU A 29 3.278 16.438 4.685 1.00 0.00 C ATOM 214 CD GLU A 29 4.360 17.414 5.108 1.00 0.00 C ATOM 215 OE1 GLU A 29 4.997 18.017 4.218 1.00 0.00 O ATOM 216 OE2 GLU A 29 4.568 17.576 6.329 1.00 0.00 O ATOM 0 H GLU A 29 6.573 15.148 4.153 1.00 0.00 H new ATOM 0 HA GLU A 29 4.511 14.592 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.302 15.234 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.013 14.401 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.691 16.880 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.598 16.272 5.521 1.00 0.00 H new ATOM 223 N ILE A 30 4.337 12.163 5.650 1.00 0.00 N ATOM 224 CA ILE A 30 4.391 10.724 5.458 1.00 0.00 C ATOM 225 C ILE A 30 3.346 10.272 4.442 1.00 0.00 C ATOM 226 O ILE A 30 2.295 10.899 4.302 1.00 0.00 O ATOM 227 CB ILE A 30 4.167 9.979 6.784 1.00 0.00 C ATOM 228 CG1 ILE A 30 2.768 10.270 7.316 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.226 10.370 7.802 1.00 0.00 C ATOM 230 CD1 ILE A 30 1.969 9.025 7.636 1.00 0.00 C ATOM 0 H ILE A 30 3.739 12.462 6.420 1.00 0.00 H new ATOM 0 HA ILE A 30 5.385 10.484 5.081 1.00 0.00 H new ATOM 0 HB ILE A 30 4.253 8.907 6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.850 10.880 8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.224 10.861 6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.051 9.833 8.734 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.213 10.115 7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.174 11.443 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.985 9.310 8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.855 8.424 6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.491 8.443 8.396 1.00 0.00 H new ATOM 242 N LEU A 31 3.637 9.184 3.735 1.00 0.00 N ATOM 243 CA LEU A 31 2.719 8.651 2.729 1.00 0.00 C ATOM 244 C LEU A 31 1.296 8.556 3.275 1.00 0.00 C ATOM 245 O LEU A 31 0.354 9.064 2.665 1.00 0.00 O ATOM 246 CB LEU A 31 3.194 7.274 2.264 1.00 0.00 C ATOM 247 CG LEU A 31 2.989 6.986 0.774 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.213 6.294 0.192 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.741 6.140 0.560 1.00 0.00 C ATOM 0 H LEU A 31 4.501 8.653 3.839 1.00 0.00 H new ATOM 0 HA LEU A 31 2.712 9.336 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.255 7.176 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.670 6.512 2.841 1.00 0.00 H new ATOM 0 HG LEU A 31 2.852 7.935 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.050 6.097 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.085 6.936 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.381 5.352 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.611 5.945 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.847 5.194 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.870 6.674 0.940 1.00 0.00 H new ATOM 261 N GLY A 32 1.146 7.913 4.428 1.00 0.00 N ATOM 262 CA GLY A 32 -0.167 7.779 5.031 1.00 0.00 C ATOM 263 C GLY A 32 -0.658 6.343 5.091 1.00 0.00 C ATOM 264 O GLY A 32 -1.621 6.049 5.795 1.00 0.00 O ATOM 0 H GLY A 32 1.907 7.484 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.139 8.188 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.882 8.376 4.465 1.00 0.00 H new ATOM 268 N VAL A 33 -0.003 5.448 4.354 1.00 0.00 N ATOM 269 CA VAL A 33 -0.407 4.044 4.345 1.00 0.00 C ATOM 270 C VAL A 33 0.379 3.229 5.358 1.00 0.00 C ATOM 271 O VAL A 33 1.611 3.250 5.372 1.00 0.00 O ATOM 272 CB VAL A 33 -0.228 3.389 2.960 1.00 0.00 C ATOM 273 CG1 VAL A 33 -1.247 3.926 1.969 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.193 3.579 2.447 1.00 0.00 C ATOM 0 H VAL A 33 0.799 5.666 3.763 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.465 4.044 4.607 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.402 2.318 3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.099 3.448 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.253 3.712 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.121 5.004 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.293 3.108 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.409 4.644 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.896 3.121 3.144 1.00 0.00 H new ATOM 284 N VAL A 34 -0.344 2.496 6.191 1.00 0.00 N ATOM 285 CA VAL A 34 0.273 1.648 7.197 1.00 0.00 C ATOM 286 C VAL A 34 0.249 0.198 6.737 1.00 0.00 C ATOM 287 O VAL A 34 -0.767 -0.490 6.865 1.00 0.00 O ATOM 288 CB VAL A 34 -0.442 1.786 8.559 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.006 0.691 9.523 1.00 0.00 C ATOM 290 CG2 VAL A 34 -0.173 3.160 9.153 1.00 0.00 C ATOM 0 H VAL A 34 -1.364 2.472 6.189 1.00 0.00 H new ATOM 0 HA VAL A 34 1.307 1.969 7.326 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.514 1.676 8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.526 0.814 10.473 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.249 -0.284 9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.070 0.758 9.687 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.682 3.247 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.900 3.290 9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.544 3.929 8.475 1.00 0.00 H new ATOM 300 N ILE A 35 1.368 -0.263 6.189 1.00 0.00 N ATOM 301 CA ILE A 35 1.453 -1.630 5.701 1.00 0.00 C ATOM 302 C ILE A 35 2.038 -2.565 6.752 1.00 0.00 C ATOM 303 O ILE A 35 2.970 -2.208 7.470 1.00 0.00 O ATOM 304 CB ILE A 35 2.284 -1.751 4.403 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.512 -0.835 4.426 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.416 -1.438 3.194 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.485 -1.134 5.547 1.00 0.00 C ATOM 0 H ILE A 35 2.220 0.286 6.073 1.00 0.00 H new ATOM 0 HA ILE A 35 0.427 -1.925 5.480 1.00 0.00 H new ATOM 0 HB ILE A 35 2.641 -2.778 4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.034 -0.921 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.179 0.199 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.012 -1.526 2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.584 -2.141 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.029 -0.422 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.326 -0.442 5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.981 -1.019 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.850 -2.157 5.449 1.00 0.00 H new ATOM 319 N VAL A 36 1.485 -3.768 6.825 1.00 0.00 N ATOM 320 CA VAL A 36 1.948 -4.771 7.772 1.00 0.00 C ATOM 321 C VAL A 36 2.327 -6.052 7.038 1.00 0.00 C ATOM 322 O VAL A 36 1.924 -6.258 5.896 1.00 0.00 O ATOM 323 CB VAL A 36 0.876 -5.086 8.832 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.603 -3.864 9.694 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.404 -5.577 8.173 1.00 0.00 C ATOM 0 H VAL A 36 0.711 -4.073 6.236 1.00 0.00 H new ATOM 0 HA VAL A 36 2.823 -4.365 8.280 1.00 0.00 H new ATOM 0 HB VAL A 36 1.253 -5.881 9.475 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.157 -4.105 10.437 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.521 -3.562 10.198 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.249 -3.047 9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.148 -5.794 8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.787 -4.807 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.196 -6.483 7.603 1.00 0.00 H new ATOM 335 N GLU A 37 3.108 -6.905 7.688 1.00 0.00 N ATOM 336 CA GLU A 37 3.538 -8.157 7.075 1.00 0.00 C ATOM 337 C GLU A 37 2.340 -8.972 6.587 1.00 0.00 C ATOM 338 O GLU A 37 1.481 -9.364 7.378 1.00 0.00 O ATOM 339 CB GLU A 37 4.366 -8.978 8.066 1.00 0.00 C ATOM 340 CG GLU A 37 5.745 -9.348 7.547 1.00 0.00 C ATOM 341 CD GLU A 37 5.764 -10.689 6.841 1.00 0.00 C ATOM 342 OE1 GLU A 37 4.928 -10.895 5.935 1.00 0.00 O ATOM 343 OE2 GLU A 37 6.614 -11.534 7.193 1.00 0.00 O ATOM 0 H GLU A 37 3.456 -6.755 8.635 1.00 0.00 H new ATOM 0 HA GLU A 37 4.157 -7.913 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.475 -8.413 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.823 -9.890 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.089 -8.575 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.448 -9.370 8.380 1.00 0.00 H new ATOM 350 N SER A 38 2.291 -9.223 5.282 1.00 0.00 N ATOM 351 CA SER A 38 1.200 -9.990 4.687 1.00 0.00 C ATOM 352 C SER A 38 1.295 -11.464 5.069 1.00 0.00 C ATOM 353 O SER A 38 2.379 -12.048 5.058 1.00 0.00 O ATOM 354 CB SER A 38 1.208 -9.841 3.163 1.00 0.00 C ATOM 355 OG SER A 38 2.233 -8.960 2.739 1.00 0.00 O ATOM 0 H SER A 38 2.995 -8.906 4.615 1.00 0.00 H new ATOM 0 HA SER A 38 0.262 -9.594 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.350 -10.818 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.241 -9.467 2.827 1.00 0.00 H new ATOM 0 HG SER A 38 2.186 -8.847 1.767 1.00 0.00 H new ATOM 361 N GLY A 39 0.156 -12.058 5.410 1.00 0.00 N ATOM 362 CA GLY A 39 0.135 -13.458 5.794 1.00 0.00 C ATOM 363 C GLY A 39 -0.977 -14.245 5.120 1.00 0.00 C ATOM 364 O GLY A 39 -1.104 -15.450 5.338 1.00 0.00 O ATOM 0 H GLY A 39 -0.753 -11.595 5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.095 -13.911 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.019 -13.530 6.875 1.00 0.00 H new ATOM 368 N TRP A 40 -1.784 -13.574 4.301 1.00 0.00 N ATOM 369 CA TRP A 40 -2.882 -14.237 3.606 1.00 0.00 C ATOM 370 C TRP A 40 -2.355 -15.168 2.519 1.00 0.00 C ATOM 371 O TRP A 40 -1.145 -15.326 2.355 1.00 0.00 O ATOM 372 CB TRP A 40 -3.834 -13.205 2.996 1.00 0.00 C ATOM 373 CG TRP A 40 -3.147 -12.155 2.175 1.00 0.00 C ATOM 374 CD1 TRP A 40 -1.842 -12.149 1.771 1.00 0.00 C ATOM 375 CD2 TRP A 40 -3.734 -10.958 1.655 1.00 0.00 C ATOM 376 NE1 TRP A 40 -1.582 -11.018 1.034 1.00 0.00 N ATOM 377 CE2 TRP A 40 -2.729 -10.271 0.949 1.00 0.00 C ATOM 378 CE3 TRP A 40 -5.015 -10.399 1.718 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -2.966 -9.055 0.310 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -5.247 -9.193 1.085 1.00 0.00 C ATOM 381 CH2 TRP A 40 -4.228 -8.532 0.389 1.00 0.00 C ATOM 0 H TRP A 40 -1.698 -12.577 4.104 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.430 -14.833 4.336 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.562 -13.722 2.371 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.390 -12.719 3.798 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -1.120 -12.920 1.997 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.683 -10.774 0.618 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.808 -10.901 2.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.182 -8.544 -0.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.232 -8.752 1.128 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.442 -7.591 -0.095 1.00 0.00 H new ATOM 392 N GLY A 41 -3.272 -15.790 1.781 1.00 0.00 N ATOM 393 CA GLY A 41 -2.876 -16.703 0.724 1.00 0.00 C ATOM 394 C GLY A 41 -3.324 -16.241 -0.650 1.00 0.00 C ATOM 395 O GLY A 41 -3.992 -16.982 -1.372 1.00 0.00 O ATOM 0 H GLY A 41 -4.279 -15.678 1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.791 -16.811 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.295 -17.689 0.926 1.00 0.00 H new ATOM 399 N SER A 42 -2.954 -15.017 -1.014 1.00 0.00 N ATOM 400 CA SER A 42 -3.320 -14.463 -2.313 1.00 0.00 C ATOM 401 C SER A 42 -2.082 -14.198 -3.154 1.00 0.00 C ATOM 402 O SER A 42 -2.065 -14.442 -4.362 1.00 0.00 O ATOM 403 CB SER A 42 -4.123 -13.173 -2.137 1.00 0.00 C ATOM 404 OG SER A 42 -5.459 -13.451 -1.752 1.00 0.00 O ATOM 0 H SER A 42 -2.402 -14.391 -0.428 1.00 0.00 H new ATOM 0 HA SER A 42 -3.940 -15.195 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.647 -12.545 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.120 -12.609 -3.070 1.00 0.00 H new ATOM 0 HG SER A 42 -5.950 -12.610 -1.644 1.00 0.00 H new ATOM 410 N ILE A 43 -1.047 -13.702 -2.500 1.00 0.00 N ATOM 411 CA ILE A 43 0.219 -13.399 -3.160 1.00 0.00 C ATOM 412 C ILE A 43 1.382 -13.582 -2.191 1.00 0.00 C ATOM 413 O ILE A 43 1.181 -13.933 -1.028 1.00 0.00 O ATOM 414 CB ILE A 43 0.264 -11.954 -3.718 1.00 0.00 C ATOM 415 CG1 ILE A 43 -1.135 -11.334 -3.779 1.00 0.00 C ATOM 416 CG2 ILE A 43 0.908 -11.943 -5.095 1.00 0.00 C ATOM 417 CD1 ILE A 43 -1.681 -10.939 -2.423 1.00 0.00 C ATOM 0 H ILE A 43 -1.056 -13.497 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 43 0.306 -14.094 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 43 0.866 -11.350 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.106 -10.453 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.818 -12.044 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.934 -10.922 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.925 -12.330 -5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.328 -12.569 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.675 -10.507 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.743 -11.820 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.019 -10.205 -1.964 1.00 0.00 H new ATOM 429 N LEU A 44 2.596 -13.340 -2.670 1.00 0.00 N ATOM 430 CA LEU A 44 3.782 -13.475 -1.833 1.00 0.00 C ATOM 431 C LEU A 44 3.758 -12.440 -0.708 1.00 0.00 C ATOM 432 O LEU A 44 3.520 -11.256 -0.952 1.00 0.00 O ATOM 433 CB LEU A 44 5.051 -13.319 -2.669 1.00 0.00 C ATOM 434 CG LEU A 44 5.132 -12.031 -3.490 1.00 0.00 C ATOM 435 CD1 LEU A 44 6.548 -11.471 -3.470 1.00 0.00 C ATOM 436 CD2 LEU A 44 4.672 -12.282 -4.920 1.00 0.00 C ATOM 0 H LEU A 44 2.785 -13.050 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 44 3.780 -14.472 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.913 -13.363 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.128 -14.169 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 44 4.468 -11.293 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.585 -10.555 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.839 -11.253 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.235 -12.203 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.736 -11.356 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.310 -13.036 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.640 -12.634 -4.914 1.00 0.00 H new ATOM 448 N PRO A 45 3.995 -12.870 0.543 1.00 0.00 N ATOM 449 CA PRO A 45 3.987 -11.970 1.703 1.00 0.00 C ATOM 450 C PRO A 45 5.030 -10.862 1.602 1.00 0.00 C ATOM 451 O PRO A 45 6.150 -11.087 1.142 1.00 0.00 O ATOM 452 CB PRO A 45 4.308 -12.893 2.886 1.00 0.00 C ATOM 453 CG PRO A 45 4.922 -14.106 2.279 1.00 0.00 C ATOM 454 CD PRO A 45 4.280 -14.260 0.931 1.00 0.00 C ATOM 0 HA PRO A 45 3.032 -11.452 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.993 -12.413 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.407 -13.145 3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.002 -13.993 2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.745 -14.985 2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.945 -14.750 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.371 -14.860 0.982 1.00 0.00 H new ATOM 462 N THR A 46 4.655 -9.666 2.049 1.00 0.00 N ATOM 463 CA THR A 46 5.558 -8.522 2.025 1.00 0.00 C ATOM 464 C THR A 46 4.999 -7.360 2.846 1.00 0.00 C ATOM 465 O THR A 46 5.613 -6.936 3.826 1.00 0.00 O ATOM 466 CB THR A 46 5.823 -8.075 0.583 1.00 0.00 C ATOM 467 OG1 THR A 46 6.498 -6.829 0.564 1.00 0.00 O ATOM 468 CG2 THR A 46 4.568 -7.926 -0.247 1.00 0.00 C ATOM 0 H THR A 46 3.731 -9.465 2.432 1.00 0.00 H new ATOM 0 HA THR A 46 6.501 -8.832 2.475 1.00 0.00 H new ATOM 0 HB THR A 46 6.431 -8.867 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.661 -6.559 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.834 -7.607 -1.255 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.047 -8.882 -0.294 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.917 -7.181 0.209 1.00 0.00 H new ATOM 476 N VAL A 47 3.839 -6.844 2.445 1.00 0.00 N ATOM 477 CA VAL A 47 3.215 -5.729 3.153 1.00 0.00 C ATOM 478 C VAL A 47 1.730 -5.611 2.817 1.00 0.00 C ATOM 479 O VAL A 47 1.293 -6.010 1.737 1.00 0.00 O ATOM 480 CB VAL A 47 3.914 -4.389 2.836 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.796 -3.967 3.998 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.725 -4.489 1.551 1.00 0.00 C ATOM 0 H VAL A 47 3.314 -7.179 1.637 1.00 0.00 H new ATOM 0 HA VAL A 47 3.323 -5.941 4.217 1.00 0.00 H new ATOM 0 HB VAL A 47 3.147 -3.628 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.282 -3.021 3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.186 -3.847 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.554 -4.730 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.207 -3.532 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.485 -5.263 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.064 -4.743 0.722 1.00 0.00 H new ATOM 492 N ILE A 48 0.965 -5.050 3.749 1.00 0.00 N ATOM 493 CA ILE A 48 -0.472 -4.863 3.556 1.00 0.00 C ATOM 494 C ILE A 48 -0.928 -3.532 4.128 1.00 0.00 C ATOM 495 O ILE A 48 -0.882 -3.339 5.339 1.00 0.00 O ATOM 496 CB ILE A 48 -1.329 -5.955 4.245 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.522 -7.207 4.593 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.519 -6.311 3.377 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.709 -7.632 6.034 1.00 0.00 C ATOM 0 H ILE A 48 1.315 -4.716 4.647 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.619 -4.913 2.477 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.682 -5.538 5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.820 -8.023 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.535 -7.018 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.113 -7.079 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.132 -5.424 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.169 -6.687 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.115 -8.525 6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.385 -6.828 6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.762 -7.849 6.216 1.00 0.00 H new ATOM 511 N ILE A 49 -1.406 -2.634 3.269 1.00 0.00 N ATOM 512 CA ILE A 49 -1.908 -1.347 3.731 1.00 0.00 C ATOM 513 C ILE A 49 -3.089 -1.578 4.664 1.00 0.00 C ATOM 514 O ILE A 49 -4.241 -1.326 4.309 1.00 0.00 O ATOM 515 CB ILE A 49 -2.348 -0.449 2.560 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.170 -0.180 1.624 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.927 0.865 3.075 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.591 0.265 0.242 1.00 0.00 C ATOM 0 H ILE A 49 -1.455 -2.774 2.260 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.100 -0.837 4.255 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.126 -0.971 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.532 0.586 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.569 -1.085 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.231 1.484 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.792 0.659 3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.171 1.392 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.706 0.438 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.204 -0.509 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.167 1.187 0.316 1.00 0.00 H new ATOM 530 N ALA A 50 -2.791 -2.080 5.855 1.00 0.00 N ATOM 531 CA ALA A 50 -3.812 -2.373 6.846 1.00 0.00 C ATOM 532 C ALA A 50 -4.753 -1.190 7.022 1.00 0.00 C ATOM 533 O ALA A 50 -5.923 -1.355 7.372 1.00 0.00 O ATOM 534 CB ALA A 50 -3.156 -2.752 8.162 1.00 0.00 C ATOM 0 H ALA A 50 -1.841 -2.294 6.158 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.409 -3.216 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.925 -2.971 8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.531 -3.633 8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.540 -1.924 8.513 1.00 0.00 H new ATOM 540 N ASN A 51 -4.236 0.004 6.759 1.00 0.00 N ATOM 541 CA ASN A 51 -5.018 1.222 6.866 1.00 0.00 C ATOM 542 C ASN A 51 -4.319 2.364 6.139 1.00 0.00 C ATOM 543 O ASN A 51 -3.245 2.180 5.568 1.00 0.00 O ATOM 544 CB ASN A 51 -5.260 1.581 8.333 1.00 0.00 C ATOM 545 CG ASN A 51 -3.974 1.841 9.088 1.00 0.00 C ATOM 546 OD1 ASN A 51 -3.397 3.015 8.877 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -3.506 0.997 9.853 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.270 0.151 6.468 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.987 1.055 6.395 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.894 2.466 8.387 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.804 0.770 8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.985 0.106 9.984 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.639 1.189 10.355 1.00 0.00 H new ATOM 554 N MET A 52 -4.936 3.536 6.151 1.00 0.00 N ATOM 555 CA MET A 52 -4.373 4.697 5.476 1.00 0.00 C ATOM 556 C MET A 52 -4.989 5.987 6.010 1.00 0.00 C ATOM 557 O MET A 52 -6.106 5.987 6.528 1.00 0.00 O ATOM 558 CB MET A 52 -4.599 4.569 3.969 1.00 0.00 C ATOM 559 CG MET A 52 -4.533 5.887 3.206 1.00 0.00 C ATOM 560 SD MET A 52 -4.892 5.694 1.449 1.00 0.00 S ATOM 561 CE MET A 52 -5.985 4.276 1.481 1.00 0.00 C ATOM 0 H MET A 52 -5.825 3.709 6.620 1.00 0.00 H new ATOM 0 HA MET A 52 -3.302 4.738 5.672 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.853 3.889 3.559 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.574 4.113 3.798 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.242 6.590 3.642 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.540 6.321 3.324 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.488 4.182 0.518 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.405 3.374 1.677 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.728 4.407 2.267 1.00 0.00 H new ATOM 571 N MET A 53 -4.255 7.087 5.878 1.00 0.00 N ATOM 572 CA MET A 53 -4.731 8.384 6.346 1.00 0.00 C ATOM 573 C MET A 53 -5.815 8.930 5.421 1.00 0.00 C ATOM 574 O MET A 53 -5.718 8.813 4.199 1.00 0.00 O ATOM 575 CB MET A 53 -3.569 9.377 6.438 1.00 0.00 C ATOM 576 CG MET A 53 -3.524 10.139 7.752 1.00 0.00 C ATOM 577 SD MET A 53 -1.841 10.414 8.339 1.00 0.00 S ATOM 578 CE MET A 53 -1.346 8.741 8.744 1.00 0.00 C ATOM 0 H MET A 53 -3.329 7.106 5.451 1.00 0.00 H new ATOM 0 HA MET A 53 -5.160 8.250 7.339 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.630 8.838 6.307 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.645 10.089 5.617 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.023 11.100 7.627 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.082 9.586 8.507 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.468 8.767 9.389 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.161 8.236 9.262 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.108 8.200 7.828 1.00 0.00 H new ATOM 588 N HIS A 54 -6.844 9.527 6.012 1.00 0.00 N ATOM 589 CA HIS A 54 -7.946 10.091 5.240 1.00 0.00 C ATOM 590 C HIS A 54 -7.543 11.416 4.602 1.00 0.00 C ATOM 591 O HIS A 54 -7.543 12.458 5.258 1.00 0.00 O ATOM 592 CB HIS A 54 -9.171 10.293 6.135 1.00 0.00 C ATOM 593 CG HIS A 54 -10.456 10.397 5.374 1.00 0.00 C ATOM 594 ND1 HIS A 54 -10.907 11.574 4.815 1.00 0.00 N ATOM 595 CD2 HIS A 54 -11.390 9.462 5.081 1.00 0.00 C ATOM 596 CE1 HIS A 54 -12.063 11.360 4.212 1.00 0.00 C ATOM 597 NE2 HIS A 54 -12.377 10.086 4.359 1.00 0.00 N ATOM 0 H HIS A 54 -6.938 9.633 7.022 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.197 9.389 4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.240 9.462 6.836 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.034 11.198 6.726 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.364 8.420 5.363 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.650 12.100 3.689 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -13.218 9.638 3.995 1.00 0.00 H new ATOM 606 N GLY A 55 -7.199 11.369 3.319 1.00 0.00 N ATOM 607 CA GLY A 55 -6.798 12.572 2.614 1.00 0.00 C ATOM 608 C GLY A 55 -5.293 12.686 2.463 1.00 0.00 C ATOM 609 O GLY A 55 -4.803 13.427 1.610 1.00 0.00 O ATOM 0 H GLY A 55 -7.191 10.519 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.260 12.581 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.173 13.444 3.149 1.00 0.00 H new ATOM 613 N GLY A 56 -4.556 11.950 3.291 1.00 0.00 N ATOM 614 CA GLY A 56 -3.106 11.989 3.227 1.00 0.00 C ATOM 615 C GLY A 56 -2.574 11.644 1.849 1.00 0.00 C ATOM 616 O GLY A 56 -3.343 11.292 0.953 1.00 0.00 O ATOM 0 H GLY A 56 -4.937 11.328 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.760 12.984 3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.695 11.291 3.956 1.00 0.00 H new ATOM 620 N PRO A 57 -1.247 11.739 1.645 1.00 0.00 N ATOM 621 CA PRO A 57 -0.618 11.433 0.357 1.00 0.00 C ATOM 622 C PRO A 57 -1.112 10.121 -0.248 1.00 0.00 C ATOM 623 O PRO A 57 -1.425 10.055 -1.437 1.00 0.00 O ATOM 624 CB PRO A 57 0.864 11.342 0.712 1.00 0.00 C ATOM 625 CG PRO A 57 1.020 12.267 1.867 1.00 0.00 C ATOM 626 CD PRO A 57 -0.256 12.154 2.656 1.00 0.00 C ATOM 0 HA PRO A 57 -0.849 12.184 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.148 10.323 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.493 11.642 -0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.882 11.992 2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.182 13.291 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.169 11.421 3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.527 13.103 3.119 1.00 0.00 H new ATOM 634 N ALA A 58 -1.182 9.078 0.575 1.00 0.00 N ATOM 635 CA ALA A 58 -1.636 7.774 0.117 1.00 0.00 C ATOM 636 C ALA A 58 -3.045 7.853 -0.455 1.00 0.00 C ATOM 637 O ALA A 58 -3.311 7.359 -1.551 1.00 0.00 O ATOM 638 CB ALA A 58 -1.591 6.766 1.254 1.00 0.00 C ATOM 0 H ALA A 58 -0.929 9.114 1.563 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.963 7.445 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.934 5.796 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.568 6.676 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.238 7.102 2.064 1.00 0.00 H new ATOM 644 N GLU A 59 -3.949 8.477 0.293 1.00 0.00 N ATOM 645 CA GLU A 59 -5.329 8.620 -0.142 1.00 0.00 C ATOM 646 C GLU A 59 -5.439 9.638 -1.269 1.00 0.00 C ATOM 647 O GLU A 59 -6.358 9.581 -2.087 1.00 0.00 O ATOM 648 CB GLU A 59 -6.214 9.036 1.033 1.00 0.00 C ATOM 649 CG GLU A 59 -7.678 9.172 0.663 1.00 0.00 C ATOM 650 CD GLU A 59 -8.607 8.738 1.782 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.242 7.806 2.527 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.698 9.333 1.911 1.00 0.00 O ATOM 0 H GLU A 59 -3.748 8.891 1.203 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.670 7.655 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.115 8.301 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.857 9.987 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.888 10.210 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.881 8.574 -0.225 1.00 0.00 H new ATOM 659 N LYS A 60 -4.493 10.564 -1.303 1.00 0.00 N ATOM 660 CA LYS A 60 -4.469 11.597 -2.326 1.00 0.00 C ATOM 661 C LYS A 60 -4.354 10.974 -3.713 1.00 0.00 C ATOM 662 O LYS A 60 -5.100 11.325 -4.628 1.00 0.00 O ATOM 663 CB LYS A 60 -3.303 12.561 -2.086 1.00 0.00 C ATOM 664 CG LYS A 60 -3.715 13.849 -1.390 1.00 0.00 C ATOM 665 CD LYS A 60 -2.909 15.035 -1.893 1.00 0.00 C ATOM 666 CE LYS A 60 -1.569 15.137 -1.184 1.00 0.00 C ATOM 667 NZ LYS A 60 -0.725 16.229 -1.741 1.00 0.00 N ATOM 0 H LYS A 60 -3.728 10.621 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.404 12.155 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.545 12.059 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.841 12.806 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.776 14.031 -1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.576 13.743 -0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.748 14.938 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.475 15.953 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.734 15.313 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.039 14.189 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.097 15.818 -2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.283 16.789 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.398 16.844 -0.968 1.00 0.00 H new ATOM 681 N SER A 61 -3.416 10.043 -3.859 1.00 0.00 N ATOM 682 CA SER A 61 -3.201 9.361 -5.127 1.00 0.00 C ATOM 683 C SER A 61 -4.495 8.728 -5.626 1.00 0.00 C ATOM 684 O SER A 61 -4.776 8.721 -6.824 1.00 0.00 O ATOM 685 CB SER A 61 -2.122 8.289 -4.971 1.00 0.00 C ATOM 686 OG SER A 61 -1.577 7.925 -6.228 1.00 0.00 O ATOM 0 H SER A 61 -2.791 9.744 -3.110 1.00 0.00 H new ATOM 0 HA SER A 61 -2.871 10.097 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.329 8.659 -4.321 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.546 7.409 -4.487 1.00 0.00 H new ATOM 0 HG SER A 61 -0.700 8.349 -6.340 1.00 0.00 H new ATOM 692 N GLY A 62 -5.274 8.190 -4.698 1.00 0.00 N ATOM 693 CA GLY A 62 -6.523 7.551 -5.061 1.00 0.00 C ATOM 694 C GLY A 62 -6.301 6.192 -5.692 1.00 0.00 C ATOM 695 O GLY A 62 -7.219 5.605 -6.265 1.00 0.00 O ATOM 0 H GLY A 62 -5.063 8.185 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.146 7.441 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.068 8.189 -5.756 1.00 0.00 H new ATOM 699 N LYS A 63 -5.071 5.692 -5.589 1.00 0.00 N ATOM 700 CA LYS A 63 -4.721 4.398 -6.153 1.00 0.00 C ATOM 701 C LYS A 63 -4.605 3.341 -5.063 1.00 0.00 C ATOM 702 O LYS A 63 -5.104 2.226 -5.207 1.00 0.00 O ATOM 703 CB LYS A 63 -3.409 4.493 -6.916 1.00 0.00 C ATOM 704 CG LYS A 63 -3.577 5.071 -8.307 1.00 0.00 C ATOM 705 CD LYS A 63 -2.526 6.122 -8.604 1.00 0.00 C ATOM 706 CE LYS A 63 -3.152 7.488 -8.817 1.00 0.00 C ATOM 707 NZ LYS A 63 -2.525 8.216 -9.957 1.00 0.00 N ATOM 0 H LYS A 63 -4.301 6.168 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.516 4.104 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.711 5.112 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.966 3.500 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.511 4.271 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.570 5.511 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.815 6.171 -7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.964 5.835 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.220 7.373 -9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.049 8.080 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.981 9.144 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.511 8.349 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.645 7.664 -10.830 1.00 0.00 H new ATOM 721 N LEU A 64 -3.930 3.700 -3.975 1.00 0.00 N ATOM 722 CA LEU A 64 -3.733 2.783 -2.863 1.00 0.00 C ATOM 723 C LEU A 64 -4.951 2.741 -1.951 1.00 0.00 C ATOM 724 O LEU A 64 -5.311 3.739 -1.328 1.00 0.00 O ATOM 725 CB LEU A 64 -2.498 3.180 -2.049 1.00 0.00 C ATOM 726 CG LEU A 64 -1.159 2.717 -2.626 1.00 0.00 C ATOM 727 CD1 LEU A 64 -0.018 3.108 -1.702 1.00 0.00 C ATOM 728 CD2 LEU A 64 -1.161 1.212 -2.855 1.00 0.00 C ATOM 0 H LEU A 64 -3.511 4.620 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.584 1.789 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.479 4.266 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.601 2.775 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.014 3.210 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.927 2.771 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.002 4.192 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.163 2.642 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.199 0.905 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.331 0.700 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.954 0.952 -3.556 1.00 0.00 H new ATOM 740 N ASN A 65 -5.568 1.571 -1.868 1.00 0.00 N ATOM 741 CA ASN A 65 -6.738 1.378 -1.021 1.00 0.00 C ATOM 742 C ASN A 65 -6.407 0.408 0.108 1.00 0.00 C ATOM 743 O ASN A 65 -5.748 -0.607 -0.116 1.00 0.00 O ATOM 744 CB ASN A 65 -7.917 0.843 -1.840 1.00 0.00 C ATOM 745 CG ASN A 65 -7.994 1.457 -3.224 1.00 0.00 C ATOM 746 OD1 ASN A 65 -8.563 2.533 -3.408 1.00 0.00 O ATOM 747 ND2 ASN A 65 -7.420 0.772 -4.206 1.00 0.00 N ATOM 0 H ASN A 65 -5.277 0.737 -2.379 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.021 2.341 -0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.829 -0.240 -1.932 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.846 1.043 -1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.440 1.134 -5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.959 -0.116 -4.007 1.00 0.00 H new ATOM 754 N ILE A 66 -6.863 0.724 1.320 1.00 0.00 N ATOM 755 CA ILE A 66 -6.605 -0.122 2.483 1.00 0.00 C ATOM 756 C ILE A 66 -6.725 -1.606 2.128 1.00 0.00 C ATOM 757 O ILE A 66 -7.789 -2.075 1.721 1.00 0.00 O ATOM 758 CB ILE A 66 -7.560 0.221 3.639 1.00 0.00 C ATOM 759 CG1 ILE A 66 -7.152 1.559 4.251 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.552 -0.875 4.700 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.945 1.931 5.477 1.00 0.00 C ATOM 0 H ILE A 66 -7.413 1.559 1.521 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.582 0.074 2.806 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.575 0.295 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.094 1.522 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.269 2.342 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.236 -0.607 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.870 -1.817 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.545 -0.986 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.599 2.893 5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.002 2.001 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.808 1.169 6.244 1.00 0.00 H new ATOM 773 N GLY A 67 -5.621 -2.327 2.271 1.00 0.00 N ATOM 774 CA GLY A 67 -5.606 -3.741 1.947 1.00 0.00 C ATOM 775 C GLY A 67 -4.731 -4.044 0.743 1.00 0.00 C ATOM 776 O GLY A 67 -4.557 -5.204 0.367 1.00 0.00 O ATOM 0 H GLY A 67 -4.732 -1.957 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.246 -4.305 2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.624 -4.077 1.748 1.00 0.00 H new ATOM 780 N ASP A 68 -4.176 -2.993 0.140 1.00 0.00 N ATOM 781 CA ASP A 68 -3.311 -3.138 -1.023 1.00 0.00 C ATOM 782 C ASP A 68 -1.999 -3.809 -0.634 1.00 0.00 C ATOM 783 O ASP A 68 -1.380 -3.444 0.365 1.00 0.00 O ATOM 784 CB ASP A 68 -3.052 -1.769 -1.647 1.00 0.00 C ATOM 785 CG ASP A 68 -3.900 -1.532 -2.880 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.209 -2.513 -3.587 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.258 -0.363 -3.138 1.00 0.00 O ATOM 0 H ASP A 68 -4.313 -2.028 0.442 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.808 -3.771 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.258 -0.992 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.998 -1.686 -1.912 1.00 0.00 H new ATOM 792 N GLN A 69 -1.580 -4.796 -1.421 1.00 0.00 N ATOM 793 CA GLN A 69 -0.344 -5.511 -1.137 1.00 0.00 C ATOM 794 C GLN A 69 0.843 -4.835 -1.810 1.00 0.00 C ATOM 795 O GLN A 69 1.290 -5.258 -2.876 1.00 0.00 O ATOM 796 CB GLN A 69 -0.445 -6.967 -1.593 1.00 0.00 C ATOM 797 CG GLN A 69 0.346 -7.927 -0.720 1.00 0.00 C ATOM 798 CD GLN A 69 0.817 -9.152 -1.476 1.00 0.00 C ATOM 799 OE1 GLN A 69 0.859 -9.160 -2.706 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.174 -10.198 -0.740 1.00 0.00 N ATOM 0 H GLN A 69 -2.075 -5.116 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.188 -5.491 -0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.493 -7.268 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.089 -7.044 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.209 -7.407 -0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.272 -8.240 0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.123 -10.147 0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.499 -11.053 -1.192 1.00 0.00 H new ATOM 809 N ILE A 70 1.352 -3.783 -1.180 1.00 0.00 N ATOM 810 CA ILE A 70 2.490 -3.045 -1.713 1.00 0.00 C ATOM 811 C ILE A 70 3.673 -3.982 -1.954 1.00 0.00 C ATOM 812 O ILE A 70 3.860 -4.952 -1.221 1.00 0.00 O ATOM 813 CB ILE A 70 2.912 -1.909 -0.761 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.671 -1.136 -0.291 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.912 -0.981 -1.441 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.973 0.248 0.251 1.00 0.00 C ATOM 0 H ILE A 70 0.993 -3.421 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 70 2.183 -2.606 -2.662 1.00 0.00 H new ATOM 0 HB ILE A 70 3.402 -2.341 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.976 -1.044 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.166 -1.715 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.197 -0.186 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.798 -1.548 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.457 -0.545 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.045 0.728 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.643 0.165 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.449 0.847 -0.525 1.00 0.00 H new ATOM 828 N MET A 71 4.456 -3.705 -2.994 1.00 0.00 N ATOM 829 CA MET A 71 5.599 -4.547 -3.326 1.00 0.00 C ATOM 830 C MET A 71 6.922 -3.800 -3.178 1.00 0.00 C ATOM 831 O MET A 71 7.915 -4.372 -2.731 1.00 0.00 O ATOM 832 CB MET A 71 5.459 -5.086 -4.752 1.00 0.00 C ATOM 833 CG MET A 71 5.507 -6.602 -4.838 1.00 0.00 C ATOM 834 SD MET A 71 4.289 -7.398 -3.773 1.00 0.00 S ATOM 835 CE MET A 71 4.260 -9.048 -4.466 1.00 0.00 C ATOM 0 H MET A 71 4.320 -2.909 -3.617 1.00 0.00 H new ATOM 0 HA MET A 71 5.609 -5.378 -2.621 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.516 -4.737 -5.172 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.256 -4.670 -5.368 1.00 0.00 H new ATOM 0 HG2 MET A 71 5.337 -6.909 -5.870 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.504 -6.946 -4.563 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.304 -9.782 -3.661 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.341 -9.188 -5.035 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.118 -9.181 -5.125 1.00 0.00 H new ATOM 845 N SER A 72 6.939 -2.529 -3.562 1.00 0.00 N ATOM 846 CA SER A 72 8.157 -1.733 -3.471 1.00 0.00 C ATOM 847 C SER A 72 7.844 -0.242 -3.404 1.00 0.00 C ATOM 848 O SER A 72 6.804 0.204 -3.886 1.00 0.00 O ATOM 849 CB SER A 72 9.059 -2.014 -4.675 1.00 0.00 C ATOM 850 OG SER A 72 10.218 -1.201 -4.647 1.00 0.00 O ATOM 0 H SER A 72 6.131 -2.031 -3.936 1.00 0.00 H new ATOM 0 HA SER A 72 8.672 -2.016 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.349 -3.065 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.506 -1.833 -5.597 1.00 0.00 H new ATOM 0 HG SER A 72 10.991 -1.724 -4.945 1.00 0.00 H new ATOM 856 N ILE A 73 8.753 0.523 -2.804 1.00 0.00 N ATOM 857 CA ILE A 73 8.578 1.965 -2.676 1.00 0.00 C ATOM 858 C ILE A 73 9.747 2.722 -3.298 1.00 0.00 C ATOM 859 O ILE A 73 10.900 2.528 -2.914 1.00 0.00 O ATOM 860 CB ILE A 73 8.428 2.384 -1.206 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.276 1.617 -0.564 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.192 3.884 -1.101 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.567 1.174 0.846 1.00 0.00 C ATOM 0 H ILE A 73 9.619 0.167 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 73 7.663 2.220 -3.211 1.00 0.00 H new ATOM 0 HB ILE A 73 9.350 2.146 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.386 2.246 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.048 0.742 -1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.088 4.163 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.037 4.417 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.281 4.148 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.707 0.635 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.439 0.519 0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.766 2.047 1.468 1.00 0.00 H new ATOM 875 N ASN A 74 9.438 3.583 -4.265 1.00 0.00 N ATOM 876 CA ASN A 74 10.460 4.373 -4.949 1.00 0.00 C ATOM 877 C ASN A 74 11.623 3.492 -5.400 1.00 0.00 C ATOM 878 O ASN A 74 12.757 3.956 -5.516 1.00 0.00 O ATOM 879 CB ASN A 74 10.972 5.485 -4.033 1.00 0.00 C ATOM 880 CG ASN A 74 9.923 6.547 -3.767 1.00 0.00 C ATOM 881 OD1 ASN A 74 9.446 7.210 -4.687 1.00 0.00 O ATOM 882 ND2 ASN A 74 9.556 6.710 -2.502 1.00 0.00 N ATOM 0 H ASN A 74 8.487 3.752 -4.593 1.00 0.00 H new ATOM 0 HA ASN A 74 10.005 4.820 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.294 5.052 -3.086 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.848 5.950 -4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.852 7.407 -2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.978 6.138 -1.771 1.00 0.00 H new ATOM 889 N GLY A 75 11.333 2.219 -5.652 1.00 0.00 N ATOM 890 CA GLY A 75 12.363 1.295 -6.084 1.00 0.00 C ATOM 891 C GLY A 75 12.942 0.487 -4.937 1.00 0.00 C ATOM 892 O GLY A 75 14.045 -0.048 -5.044 1.00 0.00 O ATOM 0 H GLY A 75 10.402 1.812 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.947 0.616 -6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.163 1.851 -6.572 1.00 0.00 H new ATOM 896 N THR A 76 12.200 0.398 -3.836 1.00 0.00 N ATOM 897 CA THR A 76 12.650 -0.351 -2.670 1.00 0.00 C ATOM 898 C THR A 76 11.735 -1.540 -2.402 1.00 0.00 C ATOM 899 O THR A 76 10.679 -1.398 -1.788 1.00 0.00 O ATOM 900 CB THR A 76 12.695 0.555 -1.445 1.00 0.00 C ATOM 901 OG1 THR A 76 13.286 1.801 -1.762 1.00 0.00 O ATOM 902 CG2 THR A 76 13.468 -0.041 -0.287 1.00 0.00 C ATOM 0 H THR A 76 11.285 0.836 -3.729 1.00 0.00 H new ATOM 0 HA THR A 76 13.653 -0.725 -2.874 1.00 0.00 H new ATOM 0 HB THR A 76 11.656 0.679 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.629 2.368 -2.218 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.461 0.655 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.003 -0.979 0.016 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.497 -0.228 -0.594 1.00 0.00 H new ATOM 910 N SER A 77 12.149 -2.716 -2.868 1.00 0.00 N ATOM 911 CA SER A 77 11.365 -3.933 -2.682 1.00 0.00 C ATOM 912 C SER A 77 11.020 -4.145 -1.211 1.00 0.00 C ATOM 913 O SER A 77 11.831 -3.867 -0.327 1.00 0.00 O ATOM 914 CB SER A 77 12.131 -5.144 -3.217 1.00 0.00 C ATOM 915 OG SER A 77 12.167 -5.141 -4.633 1.00 0.00 O ATOM 0 H SER A 77 13.023 -2.851 -3.377 1.00 0.00 H new ATOM 0 HA SER A 77 10.435 -3.822 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.148 -5.137 -2.824 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.659 -6.061 -2.864 1.00 0.00 H new ATOM 0 HG SER A 77 12.664 -5.924 -4.949 1.00 0.00 H new ATOM 921 N LEU A 78 9.812 -4.640 -0.959 1.00 0.00 N ATOM 922 CA LEU A 78 9.357 -4.895 0.404 1.00 0.00 C ATOM 923 C LEU A 78 9.204 -6.391 0.669 1.00 0.00 C ATOM 924 O LEU A 78 8.922 -6.805 1.793 1.00 0.00 O ATOM 925 CB LEU A 78 8.023 -4.192 0.658 1.00 0.00 C ATOM 926 CG LEU A 78 8.080 -2.665 0.671 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.780 -2.093 1.213 1.00 0.00 C ATOM 928 CD2 LEU A 78 9.261 -2.179 1.497 1.00 0.00 C ATOM 0 H LEU A 78 9.130 -4.873 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 78 10.112 -4.500 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.314 -4.506 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.629 -4.532 1.615 1.00 0.00 H new ATOM 0 HG LEU A 78 8.213 -2.316 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.835 -1.004 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.951 -2.412 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.621 -2.451 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.284 -1.089 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.160 -2.537 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.187 -2.562 1.069 1.00 0.00 H new ATOM 940 N VAL A 79 9.381 -7.197 -0.371 1.00 0.00 N ATOM 941 CA VAL A 79 9.254 -8.643 -0.244 1.00 0.00 C ATOM 942 C VAL A 79 10.500 -9.258 0.383 1.00 0.00 C ATOM 943 O VAL A 79 11.619 -9.006 -0.066 1.00 0.00 O ATOM 944 CB VAL A 79 9.014 -9.307 -1.609 1.00 0.00 C ATOM 945 CG1 VAL A 79 8.631 -10.768 -1.434 1.00 0.00 C ATOM 946 CG2 VAL A 79 7.948 -8.556 -2.393 1.00 0.00 C ATOM 0 H VAL A 79 9.613 -6.874 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 79 8.396 -8.823 0.403 1.00 0.00 H new ATOM 0 HB VAL A 79 9.943 -9.266 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.465 -11.220 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.435 -11.296 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.718 -10.836 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.794 -9.043 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.014 -8.559 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.272 -7.528 -2.554 1.00 0.00 H new ATOM 956 N GLY A 80 10.302 -10.073 1.412 1.00 0.00 N ATOM 957 CA GLY A 80 11.421 -10.719 2.070 1.00 0.00 C ATOM 958 C GLY A 80 11.901 -9.970 3.297 1.00 0.00 C ATOM 959 O GLY A 80 12.549 -10.553 4.169 1.00 0.00 O ATOM 0 H GLY A 80 9.387 -10.298 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.131 -11.729 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.246 -10.813 1.363 1.00 0.00 H new ATOM 963 N LEU A 81 11.590 -8.680 3.375 1.00 0.00 N ATOM 964 CA LEU A 81 12.007 -7.873 4.518 1.00 0.00 C ATOM 965 C LEU A 81 10.884 -7.759 5.545 1.00 0.00 C ATOM 966 O LEU A 81 9.707 -7.707 5.188 1.00 0.00 O ATOM 967 CB LEU A 81 12.458 -6.477 4.073 1.00 0.00 C ATOM 968 CG LEU A 81 11.700 -5.882 2.884 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.772 -4.363 2.918 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.262 -6.418 1.573 1.00 0.00 C ATOM 0 H LEU A 81 11.056 -8.174 2.668 1.00 0.00 H new ATOM 0 HA LEU A 81 12.854 -8.377 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.361 -5.797 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.517 -6.521 3.820 1.00 0.00 H new ATOM 0 HG LEU A 81 10.653 -6.178 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.229 -3.954 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.325 -3.998 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.814 -4.047 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.712 -5.985 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.315 -6.150 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.161 -7.503 1.551 1.00 0.00 H new ATOM 982 N PRO A 82 11.234 -7.727 6.844 1.00 0.00 N ATOM 983 CA PRO A 82 10.250 -7.625 7.927 1.00 0.00 C ATOM 984 C PRO A 82 9.431 -6.341 7.848 1.00 0.00 C ATOM 985 O PRO A 82 9.553 -5.572 6.894 1.00 0.00 O ATOM 986 CB PRO A 82 11.103 -7.635 9.201 1.00 0.00 C ATOM 987 CG PRO A 82 12.474 -7.257 8.756 1.00 0.00 C ATOM 988 CD PRO A 82 12.612 -7.789 7.359 1.00 0.00 C ATOM 0 HA PRO A 82 9.521 -8.434 7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.719 -6.929 9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.099 -8.619 9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.608 -6.175 8.777 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.230 -7.685 9.414 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.294 -7.183 6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.000 -8.807 7.351 1.00 0.00 H new ATOM 996 N LEU A 83 8.597 -6.118 8.858 1.00 0.00 N ATOM 997 CA LEU A 83 7.755 -4.930 8.907 1.00 0.00 C ATOM 998 C LEU A 83 8.567 -3.698 9.296 1.00 0.00 C ATOM 999 O LEU A 83 8.349 -2.607 8.767 1.00 0.00 O ATOM 1000 CB LEU A 83 6.609 -5.135 9.898 1.00 0.00 C ATOM 1001 CG LEU A 83 5.796 -3.879 10.214 1.00 0.00 C ATOM 1002 CD1 LEU A 83 5.229 -3.277 8.938 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.681 -4.199 11.198 1.00 0.00 C ATOM 0 H LEU A 83 8.487 -6.746 9.654 1.00 0.00 H new ATOM 0 HA LEU A 83 7.342 -4.767 7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.936 -5.895 9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.019 -5.528 10.828 1.00 0.00 H new ATOM 0 HG LEU A 83 6.458 -3.146 10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.653 -2.384 9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.046 -3.010 8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.581 -4.004 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.113 -3.293 11.411 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.019 -4.949 10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.111 -4.584 12.123 1.00 0.00 H new ATOM 1015 N SER A 84 9.503 -3.877 10.225 1.00 0.00 N ATOM 1016 CA SER A 84 10.342 -2.775 10.683 1.00 0.00 C ATOM 1017 C SER A 84 11.024 -2.086 9.506 1.00 0.00 C ATOM 1018 O SER A 84 11.150 -0.861 9.476 1.00 0.00 O ATOM 1019 CB SER A 84 11.393 -3.284 11.671 1.00 0.00 C ATOM 1020 OG SER A 84 12.140 -4.354 11.118 1.00 0.00 O ATOM 0 H SER A 84 9.698 -4.772 10.674 1.00 0.00 H new ATOM 0 HA SER A 84 9.703 -2.048 11.185 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.065 -2.470 11.943 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.905 -3.614 12.588 1.00 0.00 H new ATOM 0 HG SER A 84 12.806 -4.659 11.769 1.00 0.00 H new ATOM 1026 N THR A 85 11.461 -2.881 8.535 1.00 0.00 N ATOM 1027 CA THR A 85 12.127 -2.349 7.355 1.00 0.00 C ATOM 1028 C THR A 85 11.152 -1.557 6.492 1.00 0.00 C ATOM 1029 O THR A 85 11.456 -0.446 6.065 1.00 0.00 O ATOM 1030 CB THR A 85 12.746 -3.481 6.541 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.353 -4.438 7.390 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.795 -3.007 5.557 1.00 0.00 C ATOM 0 H THR A 85 11.365 -3.896 8.543 1.00 0.00 H new ATOM 0 HA THR A 85 12.918 -1.676 7.686 1.00 0.00 H new ATOM 0 HB THR A 85 11.919 -3.919 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.877 -5.068 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.194 -3.862 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.344 -2.306 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.602 -2.511 6.096 1.00 0.00 H new ATOM 1040 N CYS A 86 9.979 -2.132 6.242 1.00 0.00 N ATOM 1041 CA CYS A 86 8.961 -1.471 5.427 1.00 0.00 C ATOM 1042 C CYS A 86 8.611 -0.109 6.009 1.00 0.00 C ATOM 1043 O CYS A 86 8.692 0.907 5.319 1.00 0.00 O ATOM 1044 CB CYS A 86 7.710 -2.345 5.332 1.00 0.00 C ATOM 1045 SG CYS A 86 8.047 -4.068 4.894 1.00 0.00 S ATOM 0 H CYS A 86 9.709 -3.052 6.590 1.00 0.00 H new ATOM 0 HA CYS A 86 9.363 -1.324 4.425 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.188 -2.320 6.289 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.036 -1.917 4.590 1.00 0.00 H new ATOM 0 HG CYS A 86 8.956 -4.548 5.689 1.00 0.00 H new ATOM 1051 N GLN A 87 8.247 -0.083 7.287 1.00 0.00 N ATOM 1052 CA GLN A 87 7.913 1.162 7.957 1.00 0.00 C ATOM 1053 C GLN A 87 9.002 2.199 7.714 1.00 0.00 C ATOM 1054 O GLN A 87 8.738 3.308 7.251 1.00 0.00 O ATOM 1055 CB GLN A 87 7.769 0.906 9.453 1.00 0.00 C ATOM 1056 CG GLN A 87 6.353 1.059 9.949 1.00 0.00 C ATOM 1057 CD GLN A 87 5.520 -0.190 9.747 1.00 0.00 C ATOM 1058 OE1 GLN A 87 5.546 -1.107 10.568 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.773 -0.231 8.651 1.00 0.00 N ATOM 0 H GLN A 87 8.177 -0.912 7.877 1.00 0.00 H new ATOM 0 HA GLN A 87 6.973 1.543 7.558 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.119 -0.102 9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.414 1.596 9.997 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.370 1.311 11.009 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.880 1.893 9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.782 0.552 7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.189 -1.046 8.462 1.00 0.00 H new ATOM 1068 N SER A 88 10.226 1.810 8.030 1.00 0.00 N ATOM 1069 CA SER A 88 11.387 2.675 7.852 1.00 0.00 C ATOM 1070 C SER A 88 11.436 3.247 6.435 1.00 0.00 C ATOM 1071 O SER A 88 11.841 4.392 6.233 1.00 0.00 O ATOM 1072 CB SER A 88 12.672 1.898 8.147 1.00 0.00 C ATOM 1073 OG SER A 88 13.108 1.177 7.007 1.00 0.00 O ATOM 0 H SER A 88 10.445 0.891 8.415 1.00 0.00 H new ATOM 0 HA SER A 88 11.300 3.506 8.552 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.453 2.589 8.464 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.501 1.208 8.974 1.00 0.00 H new ATOM 0 HG SER A 88 12.461 0.471 6.799 1.00 0.00 H new ATOM 1079 N ILE A 89 11.017 2.446 5.460 1.00 0.00 N ATOM 1080 CA ILE A 89 11.005 2.869 4.071 1.00 0.00 C ATOM 1081 C ILE A 89 9.961 3.953 3.859 1.00 0.00 C ATOM 1082 O ILE A 89 10.146 4.857 3.047 1.00 0.00 O ATOM 1083 CB ILE A 89 10.727 1.676 3.129 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.866 0.662 3.236 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.556 2.147 1.693 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.772 -0.482 2.247 1.00 0.00 C ATOM 0 H ILE A 89 10.680 1.495 5.612 1.00 0.00 H new ATOM 0 HA ILE A 89 11.990 3.271 3.833 1.00 0.00 H new ATOM 0 HB ILE A 89 9.796 1.197 3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.814 1.180 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.881 0.254 4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.361 1.289 1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.718 2.842 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.466 2.648 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.617 -1.156 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.842 -1.027 2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.789 -0.087 1.231 1.00 0.00 H new ATOM 1098 N ILE A 90 8.864 3.858 4.606 1.00 0.00 N ATOM 1099 CA ILE A 90 7.788 4.835 4.514 1.00 0.00 C ATOM 1100 C ILE A 90 8.167 6.124 5.232 1.00 0.00 C ATOM 1101 O ILE A 90 7.832 7.220 4.784 1.00 0.00 O ATOM 1102 CB ILE A 90 6.482 4.292 5.122 1.00 0.00 C ATOM 1103 CG1 ILE A 90 6.211 2.877 4.606 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.326 5.228 4.800 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.822 2.362 4.928 1.00 0.00 C ATOM 0 H ILE A 90 8.699 3.112 5.282 1.00 0.00 H new ATOM 0 HA ILE A 90 7.629 5.037 3.455 1.00 0.00 H new ATOM 0 HB ILE A 90 6.584 4.242 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.352 2.862 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.948 2.197 5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.407 4.834 5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.530 6.215 5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.211 5.306 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.706 1.354 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.682 2.343 6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.077 3.018 4.477 1.00 0.00 H new ATOM 1117 N LYS A 91 8.869 5.981 6.352 1.00 0.00 N ATOM 1118 CA LYS A 91 9.298 7.133 7.135 1.00 0.00 C ATOM 1119 C LYS A 91 10.481 7.827 6.467 1.00 0.00 C ATOM 1120 O LYS A 91 10.573 9.055 6.465 1.00 0.00 O ATOM 1121 CB LYS A 91 9.676 6.700 8.553 1.00 0.00 C ATOM 1122 CG LYS A 91 8.585 6.960 9.580 1.00 0.00 C ATOM 1123 CD LYS A 91 7.936 5.668 10.047 1.00 0.00 C ATOM 1124 CE LYS A 91 7.017 5.089 8.983 1.00 0.00 C ATOM 1125 NZ LYS A 91 5.799 5.923 8.788 1.00 0.00 N ATOM 0 H LYS A 91 9.152 5.080 6.737 1.00 0.00 H new ATOM 0 HA LYS A 91 8.468 7.838 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.913 5.636 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.581 7.226 8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.008 7.485 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.827 7.613 9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.709 4.941 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.367 5.854 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.558 5.010 8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.723 4.079 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.089 5.381 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.409 6.190 9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.048 6.782 8.257 1.00 0.00 H new ATOM 1139 N GLY A 92 11.381 7.032 5.900 1.00 0.00 N ATOM 1140 CA GLY A 92 12.545 7.586 5.232 1.00 0.00 C ATOM 1141 C GLY A 92 12.173 8.453 4.044 1.00 0.00 C ATOM 1142 O GLY A 92 12.988 9.243 3.565 1.00 0.00 O ATOM 0 H GLY A 92 11.326 6.014 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.121 8.177 5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.189 6.773 4.897 1.00 0.00 H new ATOM 1146 N LEU A 93 10.941 8.307 3.567 1.00 0.00 N ATOM 1147 CA LEU A 93 10.462 9.086 2.430 1.00 0.00 C ATOM 1148 C LEU A 93 9.431 10.115 2.878 1.00 0.00 C ATOM 1149 O LEU A 93 8.440 10.358 2.190 1.00 0.00 O ATOM 1150 CB LEU A 93 9.861 8.171 1.364 1.00 0.00 C ATOM 1151 CG LEU A 93 8.895 7.113 1.890 1.00 0.00 C ATOM 1152 CD1 LEU A 93 7.517 7.715 2.111 1.00 0.00 C ATOM 1153 CD2 LEU A 93 8.820 5.939 0.929 1.00 0.00 C ATOM 0 H LEU A 93 10.256 7.656 3.950 1.00 0.00 H new ATOM 0 HA LEU A 93 11.314 9.612 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.338 8.786 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.673 7.670 0.837 1.00 0.00 H new ATOM 0 HG LEU A 93 9.267 6.749 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.840 6.947 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.586 8.524 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.135 8.106 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.127 5.193 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.470 6.286 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.809 5.494 0.821 1.00 0.00 H new ATOM 1165 N LYS A 94 9.677 10.718 4.034 1.00 0.00 N ATOM 1166 CA LYS A 94 8.784 11.720 4.580 1.00 0.00 C ATOM 1167 C LYS A 94 8.995 13.064 3.897 1.00 0.00 C ATOM 1168 O LYS A 94 8.091 13.897 3.848 1.00 0.00 O ATOM 1169 CB LYS A 94 9.009 11.860 6.086 1.00 0.00 C ATOM 1170 CG LYS A 94 7.771 12.298 6.849 1.00 0.00 C ATOM 1171 CD LYS A 94 7.969 12.178 8.352 1.00 0.00 C ATOM 1172 CE LYS A 94 8.005 13.543 9.024 1.00 0.00 C ATOM 1173 NZ LYS A 94 7.638 13.462 10.465 1.00 0.00 N ATOM 0 H LYS A 94 10.495 10.525 4.612 1.00 0.00 H new ATOM 0 HA LYS A 94 7.758 11.398 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.351 10.905 6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.807 12.582 6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.532 13.330 6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.920 11.689 6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.162 11.583 8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.899 11.647 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.004 13.969 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.319 14.218 8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.674 14.412 10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.675 13.079 10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.307 12.838 10.959 1.00 0.00 H new ATOM 1187 N ASN A 95 10.202 13.274 3.378 1.00 0.00 N ATOM 1188 CA ASN A 95 10.533 14.521 2.706 1.00 0.00 C ATOM 1189 C ASN A 95 10.977 14.280 1.265 1.00 0.00 C ATOM 1190 O ASN A 95 12.056 14.711 0.856 1.00 0.00 O ATOM 1191 CB ASN A 95 11.632 15.260 3.476 1.00 0.00 C ATOM 1192 CG ASN A 95 11.117 15.902 4.750 1.00 0.00 C ATOM 1193 OD1 ASN A 95 10.810 17.093 4.778 1.00 0.00 O ATOM 1194 ND2 ASN A 95 11.021 15.112 5.813 1.00 0.00 N ATOM 0 H ASN A 95 10.964 12.596 3.411 1.00 0.00 H new ATOM 0 HA ASN A 95 9.633 15.135 2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.431 14.561 3.723 1.00 0.00 H new ATOM 0 HB3 ASN A 95 12.066 16.028 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.681 15.487 6.698 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.287 14.130 5.744 1.00 0.00 H new ATOM 1201 N GLN A 96 10.136 13.597 0.497 1.00 0.00 N ATOM 1202 CA GLN A 96 10.438 13.307 -0.901 1.00 0.00 C ATOM 1203 C GLN A 96 9.460 14.023 -1.825 1.00 0.00 C ATOM 1204 O GLN A 96 9.798 14.372 -2.955 1.00 0.00 O ATOM 1205 CB GLN A 96 10.382 11.800 -1.166 1.00 0.00 C ATOM 1206 CG GLN A 96 10.864 10.956 -0.001 1.00 0.00 C ATOM 1207 CD GLN A 96 12.347 11.127 0.267 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.693 11.414 1.516 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 13.172 11.003 -0.638 1.00 0.00 N flip ATOM 0 H GLN A 96 9.239 13.233 0.818 1.00 0.00 H new ATOM 0 HA GLN A 96 11.447 13.667 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.356 11.520 -1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.988 11.572 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.303 11.224 0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.654 9.906 -0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.862 10.782 -1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 96 14.166 11.121 -0.442 1.00 0.00 H new ATOM 1218 N SER A 97 8.241 14.230 -1.335 1.00 0.00 N ATOM 1219 CA SER A 97 7.202 14.895 -2.112 1.00 0.00 C ATOM 1220 C SER A 97 6.698 13.997 -3.242 1.00 0.00 C ATOM 1221 O SER A 97 5.922 14.437 -4.089 1.00 0.00 O ATOM 1222 CB SER A 97 7.720 16.217 -2.685 1.00 0.00 C ATOM 1223 OG SER A 97 8.507 16.913 -1.735 1.00 0.00 O ATOM 0 H SER A 97 7.949 13.945 -0.400 1.00 0.00 H new ATOM 0 HA SER A 97 6.368 15.103 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.312 16.022 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.878 16.839 -2.990 1.00 0.00 H new ATOM 0 HG SER A 97 7.938 17.529 -1.228 1.00 0.00 H new ATOM 1229 N ARG A 98 7.135 12.739 -3.249 1.00 0.00 N ATOM 1230 CA ARG A 98 6.715 11.795 -4.279 1.00 0.00 C ATOM 1231 C ARG A 98 7.077 10.367 -3.878 1.00 0.00 C ATOM 1232 O ARG A 98 8.126 10.133 -3.278 1.00 0.00 O ATOM 1233 CB ARG A 98 7.365 12.144 -5.621 1.00 0.00 C ATOM 1234 CG ARG A 98 6.400 12.722 -6.646 1.00 0.00 C ATOM 1235 CD ARG A 98 7.004 13.916 -7.369 1.00 0.00 C ATOM 1236 NE ARG A 98 6.704 15.176 -6.694 1.00 0.00 N ATOM 1237 CZ ARG A 98 6.838 16.372 -7.263 1.00 0.00 C ATOM 1238 NH1 ARG A 98 7.266 16.473 -8.517 1.00 0.00 N ATOM 1239 NH2 ARG A 98 6.545 17.469 -6.580 1.00 0.00 N ATOM 0 H ARG A 98 7.776 12.353 -2.556 1.00 0.00 H new ATOM 0 HA ARG A 98 5.632 11.864 -4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.168 12.861 -5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.823 11.246 -6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.134 11.953 -7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.478 13.024 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.085 13.790 -7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.623 13.952 -8.390 1.00 0.00 H new ATOM 0 HE ARG A 98 6.372 15.137 -5.730 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.493 15.632 -9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.367 17.391 -8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.216 17.398 -5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.648 18.385 -7.017 1.00 0.00 H new ATOM 1253 N VAL A 99 6.209 9.414 -4.209 1.00 0.00 N ATOM 1254 CA VAL A 99 6.458 8.016 -3.869 1.00 0.00 C ATOM 1255 C VAL A 99 6.078 7.076 -5.009 1.00 0.00 C ATOM 1256 O VAL A 99 4.901 6.783 -5.223 1.00 0.00 O ATOM 1257 CB VAL A 99 5.693 7.589 -2.600 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.322 6.338 -1.998 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.662 8.720 -1.581 1.00 0.00 C ATOM 0 H VAL A 99 5.335 9.582 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 99 7.530 7.941 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 99 4.665 7.359 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.771 6.049 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.285 5.527 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.360 6.543 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.117 8.396 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.681 8.987 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.165 9.587 -2.015 1.00 0.00 H new ATOM 1269 N LYS A 100 7.089 6.585 -5.720 1.00 0.00 N ATOM 1270 CA LYS A 100 6.874 5.652 -6.820 1.00 0.00 C ATOM 1271 C LYS A 100 6.889 4.231 -6.282 1.00 0.00 C ATOM 1272 O LYS A 100 7.858 3.493 -6.470 1.00 0.00 O ATOM 1273 CB LYS A 100 7.964 5.810 -7.885 1.00 0.00 C ATOM 1274 CG LYS A 100 8.247 7.254 -8.258 1.00 0.00 C ATOM 1275 CD LYS A 100 8.076 7.492 -9.753 1.00 0.00 C ATOM 1276 CE LYS A 100 6.665 7.162 -10.215 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.606 6.900 -11.678 1.00 0.00 N ATOM 0 H LYS A 100 8.068 6.819 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 100 5.909 5.866 -7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.884 5.351 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.667 5.264 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.576 7.911 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.263 7.514 -7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.301 8.533 -9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.792 6.881 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.302 6.288 -9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.999 7.989 -9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.627 6.679 -11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.928 7.743 -12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.221 6.094 -11.912 1.00 0.00 H new ATOM 1291 N LEU A 101 5.823 3.859 -5.594 1.00 0.00 N ATOM 1292 CA LEU A 101 5.728 2.532 -5.008 1.00 0.00 C ATOM 1293 C LEU A 101 4.783 1.638 -5.801 1.00 0.00 C ATOM 1294 O LEU A 101 3.593 1.918 -5.925 1.00 0.00 O ATOM 1295 CB LEU A 101 5.299 2.627 -3.540 1.00 0.00 C ATOM 1296 CG LEU A 101 3.878 3.114 -3.303 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.438 2.790 -1.885 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.764 4.610 -3.568 1.00 0.00 C ATOM 0 H LEU A 101 5.012 4.455 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 101 6.716 2.073 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.408 1.643 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.985 3.297 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 101 3.219 2.596 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.419 3.145 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.474 1.712 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.105 3.281 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.738 4.934 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.435 5.150 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.037 4.818 -4.602 1.00 0.00 H new ATOM 1310 N ASN A 102 5.332 0.557 -6.340 1.00 0.00 N ATOM 1311 CA ASN A 102 4.549 -0.386 -7.122 1.00 0.00 C ATOM 1312 C ASN A 102 3.918 -1.429 -6.211 1.00 0.00 C ATOM 1313 O ASN A 102 4.613 -2.255 -5.622 1.00 0.00 O ATOM 1314 CB ASN A 102 5.427 -1.071 -8.171 1.00 0.00 C ATOM 1315 CG ASN A 102 4.629 -1.533 -9.375 1.00 0.00 C ATOM 1316 OD1 ASN A 102 4.488 -0.657 -10.362 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 4.145 -2.664 -9.415 1.00 0.00 N flip ATOM 0 H ASN A 102 6.318 0.313 -6.249 1.00 0.00 H new ATOM 0 HA ASN A 102 3.758 0.163 -7.633 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.206 -0.381 -8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.928 -1.927 -7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.279 -3.304 -8.632 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.610 -2.961 -10.231 1.00 0.00 H new ATOM 1324 N ILE A 103 2.598 -1.382 -6.093 1.00 0.00 N ATOM 1325 CA ILE A 103 1.884 -2.321 -5.244 1.00 0.00 C ATOM 1326 C ILE A 103 1.283 -3.456 -6.062 1.00 0.00 C ATOM 1327 O ILE A 103 1.348 -3.449 -7.291 1.00 0.00 O ATOM 1328 CB ILE A 103 0.776 -1.623 -4.437 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.313 -1.082 -5.354 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.359 -0.499 -3.602 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.664 -1.061 -4.693 1.00 0.00 C ATOM 0 H ILE A 103 2.004 -0.706 -6.573 1.00 0.00 H new ATOM 0 HA ILE A 103 2.613 -2.735 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 103 0.327 -2.363 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.050 -0.072 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.362 -1.694 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.563 -0.015 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.099 -0.904 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.835 0.231 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.404 -0.667 -5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.943 -2.074 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.626 -0.427 -3.807 1.00 0.00 H new ATOM 1343 N VAL A 104 0.710 -4.436 -5.372 1.00 0.00 N ATOM 1344 CA VAL A 104 0.116 -5.580 -6.040 1.00 0.00 C ATOM 1345 C VAL A 104 -1.293 -5.866 -5.534 1.00 0.00 C ATOM 1346 O VAL A 104 -1.594 -5.696 -4.347 1.00 0.00 O ATOM 1347 CB VAL A 104 0.982 -6.839 -5.857 1.00 0.00 C ATOM 1348 CG1 VAL A 104 0.454 -7.982 -6.710 1.00 0.00 C ATOM 1349 CG2 VAL A 104 2.433 -6.538 -6.194 1.00 0.00 C ATOM 0 H VAL A 104 0.646 -4.458 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 104 0.061 -5.327 -7.099 1.00 0.00 H new ATOM 0 HB VAL A 104 0.930 -7.146 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.080 -8.863 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.570 -8.213 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.473 -7.691 -7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.032 -7.439 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.505 -6.206 -7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.804 -5.753 -5.535 1.00 0.00 H new ATOM 1359 N ARG A 105 -2.146 -6.313 -6.450 1.00 0.00 N ATOM 1360 CA ARG A 105 -3.527 -6.644 -6.123 1.00 0.00 C ATOM 1361 C ARG A 105 -3.842 -8.071 -6.563 1.00 0.00 C ATOM 1362 O ARG A 105 -3.171 -8.624 -7.436 1.00 0.00 O ATOM 1363 CB ARG A 105 -4.485 -5.656 -6.793 1.00 0.00 C ATOM 1364 CG ARG A 105 -4.943 -4.534 -5.873 1.00 0.00 C ATOM 1365 CD ARG A 105 -6.435 -4.616 -5.587 1.00 0.00 C ATOM 1366 NE ARG A 105 -6.784 -5.820 -4.838 1.00 0.00 N ATOM 1367 CZ ARG A 105 -6.617 -5.951 -3.524 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -6.105 -4.955 -2.809 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -6.963 -7.081 -2.922 1.00 0.00 N ATOM 0 H ARG A 105 -1.902 -6.455 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.658 -6.573 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.996 -5.223 -7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.359 -6.198 -7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -4.389 -4.583 -4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -4.712 -3.572 -6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.745 -3.736 -5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.986 -4.602 -6.528 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.179 -6.607 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.837 -4.084 -3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.980 -5.062 -1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -7.357 -7.849 -3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.835 -7.182 -1.915 1.00 0.00 H new TER 1383 ARG A 105