USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 469 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 23 ASN : amide:sc= -1.86 K(o=-15,f=-20!) USER MOD Set 1.2: A 26 GLN : amide:sc= -2.93 K(o=-15,f=-26!) USER MOD Set 1.3: A 55 GLN : amide:sc= -10.4! C(o=-15!,f=-21!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.472 X(o=-1.5,f=-1.6) USER MOD Set 2.2: A 43 ASN : amide:sc= -1.02 K(o=-1.5,f=-0.33) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.57! K(o=-7.5!,f=-3.6) USER MOD Set 3.2: A 52 ASN : amide:sc= -4.92! C(o=-7.5!,f=-13!) USER MOD Single : A 1 VAL N :NH3+ 144:sc= -0.503 (180deg=-0.824) USER MOD Single : A 3 ASN : amide:sc= -0.734 X(o=-0.73,f=-0.49) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= -0.168 (180deg=-0.463) USER MOD Single : A 6 ASN : amide:sc= -0.409 K(o=-0.41,f=-3.7!) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -1.53 (180deg=-2.45!) USER MOD Single : A 17 MET CE :methyl 170:sc= -10.4! (180deg=-11.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.459 K(o=-0.46,f=-8.5!) USER MOD Single : A 33 SER OG : rot 67:sc= 0.895 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 120:sc= -1.48 USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= 0.257 (180deg=-0.0833) USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= -0.315 (180deg=-0.804) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0392 (180deg=-0.411) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.642 -13.858 17.131 1.00 0.00 N ATOM 2 CA VAL A 1 -1.645 -14.471 16.212 1.00 0.00 C ATOM 3 C VAL A 1 -0.966 -14.852 14.899 1.00 0.00 C ATOM 4 O VAL A 1 -0.018 -14.192 14.465 1.00 0.00 O ATOM 5 CB VAL A 1 -2.791 -13.475 15.945 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.646 -13.316 17.209 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.222 -12.105 15.538 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.093 -13.100 17.681 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.275 -14.584 17.778 1.00 0.00 H new ATOM 0 H3 VAL A 1 0.142 -13.462 16.575 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.059 -15.367 16.675 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.407 -13.861 15.133 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.454 -12.611 17.015 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.066 -14.282 17.488 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.026 -12.941 18.023 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -3.042 -11.411 15.352 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.594 -11.719 16.341 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.626 -12.213 14.632 1.00 0.00 H new ATOM 19 N ASP A 2 -1.462 -15.920 14.269 1.00 0.00 N ATOM 20 CA ASP A 2 -0.909 -16.390 12.999 1.00 0.00 C ATOM 21 C ASP A 2 -1.046 -15.324 11.913 1.00 0.00 C ATOM 22 O ASP A 2 -0.257 -15.301 10.969 1.00 0.00 O ATOM 23 CB ASP A 2 -1.618 -17.674 12.549 1.00 0.00 C ATOM 24 CG ASP A 2 -0.917 -18.253 11.317 1.00 0.00 C ATOM 25 OD1 ASP A 2 0.048 -18.979 11.493 1.00 0.00 O ATOM 26 OD2 ASP A 2 -1.346 -17.951 10.214 1.00 0.00 O ATOM 0 H ASP A 2 -2.244 -16.474 14.618 1.00 0.00 H new ATOM 0 HA ASP A 2 0.150 -16.597 13.154 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.613 -18.405 13.358 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.662 -17.461 12.318 1.00 0.00 H new ATOM 31 N ASN A 3 -2.064 -14.458 12.056 1.00 0.00 N ATOM 32 CA ASN A 3 -2.332 -13.384 11.087 1.00 0.00 C ATOM 33 C ASN A 3 -1.035 -12.796 10.537 1.00 0.00 C ATOM 34 O ASN A 3 -0.323 -12.065 11.230 1.00 0.00 O ATOM 35 CB ASN A 3 -3.158 -12.272 11.749 1.00 0.00 C ATOM 36 CG ASN A 3 -4.475 -12.833 12.285 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.137 -13.625 11.614 1.00 0.00 O ATOM 38 ND2 ASN A 3 -4.896 -12.467 13.463 1.00 0.00 N ATOM 0 H ASN A 3 -2.718 -14.483 12.839 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.893 -13.815 10.258 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.589 -11.823 12.563 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.360 -11.481 11.027 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.774 -12.837 13.829 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.348 -11.811 14.019 1.00 0.00 H new ATOM 45 N LYS A 4 -0.733 -13.148 9.289 1.00 0.00 N ATOM 46 CA LYS A 4 0.486 -12.689 8.630 1.00 0.00 C ATOM 47 C LYS A 4 0.270 -11.333 7.974 1.00 0.00 C ATOM 48 O LYS A 4 1.139 -10.827 7.256 1.00 0.00 O ATOM 49 CB LYS A 4 0.926 -13.721 7.582 1.00 0.00 C ATOM 50 CG LYS A 4 0.995 -15.109 8.236 1.00 0.00 C ATOM 51 CD LYS A 4 1.579 -16.135 7.257 1.00 0.00 C ATOM 52 CE LYS A 4 1.368 -17.557 7.801 1.00 0.00 C ATOM 53 NZ LYS A 4 1.598 -17.586 9.277 1.00 0.00 N ATOM 0 H LYS A 4 -1.319 -13.752 8.713 1.00 0.00 H new ATOM 0 HA LYS A 4 1.269 -12.581 9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.223 -13.733 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.900 -13.450 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.610 -15.064 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.002 -15.421 8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.100 -16.034 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.643 -15.946 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.356 -17.893 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.050 -18.248 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.671 -18.573 9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.481 -17.083 9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.803 -17.122 9.761 1.00 0.00 H new ATOM 67 N PHE A 5 -0.904 -10.765 8.216 1.00 0.00 N ATOM 68 CA PHE A 5 -1.276 -9.480 7.647 1.00 0.00 C ATOM 69 C PHE A 5 -0.259 -8.394 7.945 1.00 0.00 C ATOM 70 O PHE A 5 0.223 -7.733 7.039 1.00 0.00 O ATOM 71 CB PHE A 5 -2.575 -9.003 8.285 1.00 0.00 C ATOM 72 CG PHE A 5 -3.788 -9.611 7.633 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.849 -10.989 7.376 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.868 -8.782 7.301 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.998 -11.528 6.780 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.009 -9.320 6.710 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.077 -10.689 6.448 1.00 0.00 C ATOM 0 H PHE A 5 -1.621 -11.181 8.810 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.355 -9.635 6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.570 -9.255 9.345 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.634 -7.917 8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.018 -11.629 7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.816 -7.723 7.504 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.055 -12.587 6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.840 -8.679 6.455 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.961 -11.106 5.989 1.00 0.00 H new ATOM 87 N ASN A 6 0.011 -8.184 9.229 1.00 0.00 N ATOM 88 CA ASN A 6 0.910 -7.116 9.641 1.00 0.00 C ATOM 89 C ASN A 6 2.259 -7.204 8.957 1.00 0.00 C ATOM 90 O ASN A 6 2.735 -6.210 8.433 1.00 0.00 O ATOM 91 CB ASN A 6 1.127 -7.177 11.148 1.00 0.00 C ATOM 92 CG ASN A 6 -0.194 -6.995 11.899 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.138 -6.401 11.378 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.316 -7.477 13.105 1.00 0.00 N ATOM 0 H ASN A 6 -0.377 -8.735 9.995 1.00 0.00 H new ATOM 0 HA ASN A 6 0.441 -6.175 9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.573 -8.134 11.416 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.831 -6.401 11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.192 -7.361 13.614 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.465 -7.970 13.539 1.00 0.00 H new ATOM 101 N LYS A 7 2.859 -8.388 8.947 1.00 0.00 N ATOM 102 CA LYS A 7 4.158 -8.563 8.316 1.00 0.00 C ATOM 103 C LYS A 7 4.087 -8.227 6.832 1.00 0.00 C ATOM 104 O LYS A 7 4.978 -7.576 6.295 1.00 0.00 O ATOM 105 CB LYS A 7 4.642 -10.000 8.522 1.00 0.00 C ATOM 106 CG LYS A 7 6.060 -10.184 7.949 1.00 0.00 C ATOM 107 CD LYS A 7 7.100 -9.515 8.869 1.00 0.00 C ATOM 108 CE LYS A 7 7.539 -8.166 8.283 1.00 0.00 C ATOM 109 NZ LYS A 7 8.345 -8.391 7.050 1.00 0.00 N ATOM 0 H LYS A 7 2.470 -9.233 9.365 1.00 0.00 H new ATOM 0 HA LYS A 7 4.870 -7.880 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.640 -10.241 9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.955 -10.693 8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.284 -11.246 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.115 -9.750 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.676 -9.367 9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.965 -10.167 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.665 -7.558 8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.126 -7.614 9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.271 -7.559 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.341 -8.542 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.986 -9.229 6.549 1.00 0.00 H new ATOM 123 N GLU A 8 3.007 -8.654 6.188 1.00 0.00 N ATOM 124 CA GLU A 8 2.808 -8.383 4.772 1.00 0.00 C ATOM 125 C GLU A 8 2.494 -6.900 4.573 1.00 0.00 C ATOM 126 O GLU A 8 2.908 -6.284 3.590 1.00 0.00 O ATOM 127 CB GLU A 8 1.662 -9.273 4.279 1.00 0.00 C ATOM 128 CG GLU A 8 1.469 -9.116 2.770 1.00 0.00 C ATOM 129 CD GLU A 8 1.030 -10.438 2.126 1.00 0.00 C ATOM 130 OE1 GLU A 8 0.225 -11.139 2.723 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.488 -10.718 1.031 1.00 0.00 O ATOM 0 H GLU A 8 2.257 -9.189 6.625 1.00 0.00 H new ATOM 0 HA GLU A 8 3.707 -8.607 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.875 -10.315 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.741 -9.010 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.721 -8.347 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.400 -8.778 2.315 1.00 0.00 H new ATOM 138 N ARG A 9 1.767 -6.353 5.540 1.00 0.00 N ATOM 139 CA ARG A 9 1.373 -4.961 5.548 1.00 0.00 C ATOM 140 C ARG A 9 2.539 -4.036 5.870 1.00 0.00 C ATOM 141 O ARG A 9 2.568 -2.934 5.375 1.00 0.00 O ATOM 142 CB ARG A 9 0.218 -4.737 6.531 1.00 0.00 C ATOM 143 CG ARG A 9 -1.069 -5.321 5.927 1.00 0.00 C ATOM 144 CD ARG A 9 -2.262 -5.066 6.847 1.00 0.00 C ATOM 145 NE ARG A 9 -2.002 -5.603 8.180 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.720 -5.223 9.228 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.390 -4.151 9.888 1.00 0.00 N ATOM 148 NH2 ARG A 9 -3.753 -5.924 9.599 1.00 0.00 N ATOM 0 H ARG A 9 1.433 -6.877 6.349 1.00 0.00 H new ATOM 0 HA ARG A 9 1.035 -4.713 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.437 -5.215 7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.092 -3.673 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.254 -4.873 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.948 -6.393 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.457 -3.996 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.156 -5.529 6.430 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.253 -6.284 8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.579 -3.604 9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.942 -3.858 10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.010 -6.766 9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.305 -5.631 10.405 1.00 0.00 H new ATOM 162 N VAL A 10 3.488 -4.475 6.710 1.00 0.00 N ATOM 163 CA VAL A 10 4.634 -3.618 7.068 1.00 0.00 C ATOM 164 C VAL A 10 5.415 -3.328 5.818 1.00 0.00 C ATOM 165 O VAL A 10 5.787 -2.194 5.512 1.00 0.00 O ATOM 166 CB VAL A 10 5.629 -4.297 8.028 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.694 -3.266 8.455 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.932 -4.868 9.263 1.00 0.00 C ATOM 0 H VAL A 10 3.489 -5.397 7.147 1.00 0.00 H new ATOM 0 HA VAL A 10 4.219 -2.733 7.550 1.00 0.00 H new ATOM 0 HB VAL A 10 6.096 -5.131 7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.404 -3.737 9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.222 -2.902 7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.209 -2.429 8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.670 -5.338 9.913 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.432 -4.064 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.196 -5.610 8.955 1.00 0.00 H new ATOM 178 N ILE A 11 5.666 -4.406 5.120 1.00 0.00 N ATOM 179 CA ILE A 11 6.404 -4.369 3.898 1.00 0.00 C ATOM 180 C ILE A 11 5.682 -3.481 2.906 1.00 0.00 C ATOM 181 O ILE A 11 6.276 -2.615 2.271 1.00 0.00 O ATOM 182 CB ILE A 11 6.479 -5.798 3.364 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.206 -6.694 4.384 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.210 -5.821 2.022 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.006 -8.165 4.003 1.00 0.00 C ATOM 0 H ILE A 11 5.358 -5.339 5.392 1.00 0.00 H new ATOM 0 HA ILE A 11 7.406 -3.971 4.056 1.00 0.00 H new ATOM 0 HB ILE A 11 5.468 -6.178 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.269 -6.453 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.819 -6.511 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.257 -6.845 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.674 -5.200 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.221 -5.435 2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.520 -8.801 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.942 -8.400 4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.414 -8.342 3.008 1.00 0.00 H new ATOM 197 N ALA A 12 4.391 -3.738 2.791 1.00 0.00 N ATOM 198 CA ALA A 12 3.534 -3.017 1.875 1.00 0.00 C ATOM 199 C ALA A 12 3.272 -1.584 2.296 1.00 0.00 C ATOM 200 O ALA A 12 3.452 -0.681 1.500 1.00 0.00 O ATOM 201 CB ALA A 12 2.225 -3.764 1.829 1.00 0.00 C ATOM 0 H ALA A 12 3.909 -4.455 3.333 1.00 0.00 H new ATOM 0 HA ALA A 12 4.028 -2.963 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.541 -3.257 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.399 -4.781 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.788 -3.794 2.827 1.00 0.00 H new ATOM 207 N ILE A 13 2.885 -1.363 3.546 1.00 0.00 N ATOM 208 CA ILE A 13 2.627 -0.017 4.014 1.00 0.00 C ATOM 209 C ILE A 13 3.894 0.796 3.854 1.00 0.00 C ATOM 210 O ILE A 13 3.859 1.954 3.473 1.00 0.00 O ATOM 211 CB ILE A 13 2.176 -0.033 5.487 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.649 1.365 5.862 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.351 -0.437 6.398 1.00 0.00 C ATOM 214 CD1 ILE A 13 2.101 1.764 7.266 1.00 0.00 C ATOM 0 H ILE A 13 2.745 -2.094 4.244 1.00 0.00 H new ATOM 0 HA ILE A 13 1.824 0.431 3.428 1.00 0.00 H new ATOM 0 HB ILE A 13 1.380 -0.765 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.007 2.098 5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.560 1.372 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.020 -0.445 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.701 -1.432 6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.164 0.279 6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.715 2.755 7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.721 1.043 7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.190 1.779 7.307 1.00 0.00 H new ATOM 226 N GLY A 14 5.011 0.141 4.112 1.00 0.00 N ATOM 227 CA GLY A 14 6.298 0.758 3.974 1.00 0.00 C ATOM 228 C GLY A 14 6.523 1.113 2.507 1.00 0.00 C ATOM 229 O GLY A 14 7.074 2.170 2.195 1.00 0.00 O ATOM 0 H GLY A 14 5.042 -0.830 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.354 1.655 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.079 0.082 4.322 1.00 0.00 H new ATOM 233 N GLU A 15 6.062 0.224 1.605 1.00 0.00 N ATOM 234 CA GLU A 15 6.193 0.467 0.171 1.00 0.00 C ATOM 235 C GLU A 15 5.252 1.585 -0.274 1.00 0.00 C ATOM 236 O GLU A 15 5.616 2.456 -1.065 1.00 0.00 O ATOM 237 CB GLU A 15 5.785 -0.786 -0.617 1.00 0.00 C ATOM 238 CG GLU A 15 6.762 -1.942 -0.393 1.00 0.00 C ATOM 239 CD GLU A 15 7.524 -2.236 -1.688 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.550 -1.610 -1.905 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.064 -3.070 -2.453 1.00 0.00 O ATOM 0 H GLU A 15 5.603 -0.654 1.848 1.00 0.00 H new ATOM 0 HA GLU A 15 7.232 0.735 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.783 -1.094 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.741 -0.548 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.463 -1.689 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.220 -2.831 -0.069 1.00 0.00 H new ATOM 248 N ILE A 16 4.019 1.493 0.217 1.00 0.00 N ATOM 249 CA ILE A 16 2.951 2.420 -0.125 1.00 0.00 C ATOM 250 C ILE A 16 3.202 3.824 0.438 1.00 0.00 C ATOM 251 O ILE A 16 3.021 4.830 -0.246 1.00 0.00 O ATOM 252 CB ILE A 16 1.632 1.879 0.447 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.494 0.374 0.064 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.451 2.733 -0.031 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.339 0.036 -0.876 1.00 0.00 C ATOM 0 H ILE A 16 3.733 0.764 0.870 1.00 0.00 H new ATOM 0 HA ILE A 16 2.907 2.502 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 16 1.632 1.945 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.425 0.049 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.376 -0.206 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.476 2.336 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.587 3.762 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.402 2.709 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.335 -1.035 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.604 0.321 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.461 0.580 -1.812 1.00 0.00 H new ATOM 267 N MET A 17 3.586 3.860 1.708 1.00 0.00 N ATOM 268 CA MET A 17 3.838 5.111 2.423 1.00 0.00 C ATOM 269 C MET A 17 5.046 5.870 1.858 1.00 0.00 C ATOM 270 O MET A 17 5.133 7.092 1.995 1.00 0.00 O ATOM 271 CB MET A 17 4.044 4.804 3.915 1.00 0.00 C ATOM 272 CG MET A 17 2.716 4.343 4.541 1.00 0.00 C ATOM 273 SD MET A 17 1.535 5.708 4.645 1.00 0.00 S ATOM 274 CE MET A 17 0.029 4.689 4.634 1.00 0.00 C ATOM 0 H MET A 17 3.732 3.024 2.274 1.00 0.00 H new ATOM 0 HA MET A 17 2.972 5.759 2.292 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.801 4.029 4.035 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.411 5.691 4.431 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.291 3.535 3.945 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.900 3.941 5.537 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.834 5.312 4.869 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.102 4.245 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.119 3.898 5.379 1.00 0.00 H new ATOM 284 N ARG A 18 5.971 5.143 1.227 1.00 0.00 N ATOM 285 CA ARG A 18 7.167 5.744 0.645 1.00 0.00 C ATOM 286 C ARG A 18 6.795 6.669 -0.510 1.00 0.00 C ATOM 287 O ARG A 18 7.451 7.682 -0.758 1.00 0.00 O ATOM 288 CB ARG A 18 8.062 4.610 0.139 1.00 0.00 C ATOM 289 CG ARG A 18 9.366 5.158 -0.445 1.00 0.00 C ATOM 290 CD ARG A 18 10.134 4.004 -1.092 1.00 0.00 C ATOM 291 NE ARG A 18 10.508 3.003 -0.091 1.00 0.00 N ATOM 292 CZ ARG A 18 11.312 3.302 0.923 1.00 0.00 C ATOM 293 NH1 ARG A 18 12.600 3.363 0.738 1.00 0.00 N ATOM 294 NH2 ARG A 18 10.811 3.535 2.102 1.00 0.00 N ATOM 0 H ARG A 18 5.911 4.132 1.107 1.00 0.00 H new ATOM 0 HA ARG A 18 7.688 6.339 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.285 3.926 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.532 4.036 -0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.154 5.932 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.967 5.620 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.520 3.541 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.029 4.387 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 18 10.143 2.054 -0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.992 3.181 -0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.217 3.593 1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.802 3.488 2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.427 3.765 2.882 1.00 0.00 H new ATOM 308 N LEU A 19 5.751 6.266 -1.218 1.00 0.00 N ATOM 309 CA LEU A 19 5.248 6.977 -2.389 1.00 0.00 C ATOM 310 C LEU A 19 4.964 8.463 -2.124 1.00 0.00 C ATOM 311 O LEU A 19 3.988 8.802 -1.450 1.00 0.00 O ATOM 312 CB LEU A 19 3.965 6.290 -2.839 1.00 0.00 C ATOM 313 CG LEU A 19 4.197 4.775 -2.934 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.902 4.068 -3.302 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.276 4.483 -3.981 1.00 0.00 C ATOM 0 H LEU A 19 5.220 5.424 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 19 6.020 6.944 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.161 6.501 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.651 6.681 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 19 4.531 4.404 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.079 2.994 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.150 4.266 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.548 4.436 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.438 3.407 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.953 4.861 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.206 4.973 -3.692 1.00 0.00 H new ATOM 327 N PRO A 20 5.784 9.354 -2.657 1.00 0.00 N ATOM 328 CA PRO A 20 5.600 10.827 -2.489 1.00 0.00 C ATOM 329 C PRO A 20 4.553 11.412 -3.450 1.00 0.00 C ATOM 330 O PRO A 20 4.192 12.585 -3.328 1.00 0.00 O ATOM 331 CB PRO A 20 6.982 11.422 -2.826 1.00 0.00 C ATOM 332 CG PRO A 20 7.875 10.278 -3.201 1.00 0.00 C ATOM 333 CD PRO A 20 6.982 9.071 -3.461 1.00 0.00 C ATOM 0 HA PRO A 20 5.245 11.058 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.905 12.135 -3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.387 11.963 -1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.459 10.522 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.584 10.066 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.741 8.970 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.462 8.142 -3.153 1.00 0.00 H new ATOM 341 N ASN A 21 4.102 10.611 -4.427 1.00 0.00 N ATOM 342 CA ASN A 21 3.138 11.101 -5.425 1.00 0.00 C ATOM 343 C ASN A 21 1.694 10.739 -5.089 1.00 0.00 C ATOM 344 O ASN A 21 0.790 10.928 -5.901 1.00 0.00 O ATOM 345 CB ASN A 21 3.522 10.573 -6.805 1.00 0.00 C ATOM 346 CG ASN A 21 4.832 11.210 -7.262 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.038 12.411 -7.083 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.733 10.479 -7.847 1.00 0.00 N ATOM 0 H ASN A 21 4.383 9.638 -4.547 1.00 0.00 H new ATOM 0 HA ASN A 21 3.185 12.190 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.627 9.489 -6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.731 10.795 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.609 10.900 -8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.564 9.484 -7.996 1.00 0.00 H new ATOM 355 N LEU A 22 1.482 10.239 -3.887 1.00 0.00 N ATOM 356 CA LEU A 22 0.144 9.885 -3.433 1.00 0.00 C ATOM 357 C LEU A 22 -0.234 10.734 -2.240 1.00 0.00 C ATOM 358 O LEU A 22 0.604 10.996 -1.373 1.00 0.00 O ATOM 359 CB LEU A 22 0.095 8.416 -3.030 1.00 0.00 C ATOM 360 CG LEU A 22 0.277 7.544 -4.266 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.714 6.157 -3.833 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.047 7.439 -5.009 1.00 0.00 C ATOM 0 H LEU A 22 2.219 10.067 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.557 10.060 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.877 8.201 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.857 8.191 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 22 1.030 7.985 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.847 5.526 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.657 6.225 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.047 5.721 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.919 6.815 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.796 6.992 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.375 8.434 -5.310 1.00 0.00 H new ATOM 374 N ASN A 23 -1.506 11.110 -2.156 1.00 0.00 N ATOM 375 CA ASN A 23 -1.963 11.868 -1.003 1.00 0.00 C ATOM 376 C ASN A 23 -2.244 10.862 0.083 1.00 0.00 C ATOM 377 O ASN A 23 -2.360 9.667 -0.203 1.00 0.00 O ATOM 378 CB ASN A 23 -3.205 12.720 -1.317 1.00 0.00 C ATOM 379 CG ASN A 23 -4.091 12.042 -2.352 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.806 11.093 -2.031 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.081 12.473 -3.585 1.00 0.00 N ATOM 0 H ASN A 23 -2.221 10.908 -2.855 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.200 12.582 -0.692 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.774 12.889 -0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.895 13.698 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.668 12.023 -4.287 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.487 13.260 -3.845 1.00 0.00 H new ATOM 388 N SER A 24 -2.314 11.312 1.321 1.00 0.00 N ATOM 389 CA SER A 24 -2.532 10.386 2.416 1.00 0.00 C ATOM 390 C SER A 24 -3.714 9.475 2.146 1.00 0.00 C ATOM 391 O SER A 24 -3.680 8.322 2.501 1.00 0.00 O ATOM 392 CB SER A 24 -2.769 11.132 3.715 1.00 0.00 C ATOM 393 OG SER A 24 -3.891 11.995 3.576 1.00 0.00 O ATOM 0 H SER A 24 -2.225 12.292 1.591 1.00 0.00 H new ATOM 0 HA SER A 24 -1.631 9.779 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.941 10.424 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.884 11.711 3.980 1.00 0.00 H new ATOM 0 HG SER A 24 -4.042 12.474 4.418 1.00 0.00 H new ATOM 399 N LEU A 25 -4.747 9.989 1.509 1.00 0.00 N ATOM 400 CA LEU A 25 -5.918 9.177 1.222 1.00 0.00 C ATOM 401 C LEU A 25 -5.575 8.025 0.319 1.00 0.00 C ATOM 402 O LEU A 25 -5.930 6.901 0.621 1.00 0.00 O ATOM 403 CB LEU A 25 -6.972 10.012 0.525 1.00 0.00 C ATOM 404 CG LEU A 25 -7.287 11.282 1.324 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.275 12.395 1.010 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.671 11.755 0.913 1.00 0.00 C ATOM 0 H LEU A 25 -4.803 10.954 1.182 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.290 8.798 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.625 10.283 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.881 9.424 0.398 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.237 11.060 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.521 13.285 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.271 12.058 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.314 12.633 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.925 12.660 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.680 11.968 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.402 10.977 1.134 1.00 0.00 H new ATOM 418 N GLN A 26 -4.870 8.304 -0.771 1.00 0.00 N ATOM 419 CA GLN A 26 -4.476 7.258 -1.684 1.00 0.00 C ATOM 420 C GLN A 26 -3.529 6.327 -0.984 1.00 0.00 C ATOM 421 O GLN A 26 -3.663 5.115 -1.042 1.00 0.00 O ATOM 422 CB GLN A 26 -3.781 7.864 -2.863 1.00 0.00 C ATOM 423 CG GLN A 26 -4.824 8.575 -3.720 1.00 0.00 C ATOM 424 CD GLN A 26 -4.181 9.585 -4.648 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.100 10.104 -4.369 1.00 0.00 O ATOM 426 NE2 GLN A 26 -4.797 9.897 -5.744 1.00 0.00 N ATOM 0 H GLN A 26 -4.565 9.241 -1.036 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.358 6.711 -2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.017 8.568 -2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.275 7.093 -3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.377 7.841 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.545 9.078 -3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.692 9.462 -5.967 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.387 10.577 -6.384 1.00 0.00 H new ATOM 435 N VAL A 27 -2.597 6.944 -0.283 1.00 0.00 N ATOM 436 CA VAL A 27 -1.607 6.234 0.486 1.00 0.00 C ATOM 437 C VAL A 27 -2.317 5.328 1.477 1.00 0.00 C ATOM 438 O VAL A 27 -1.968 4.162 1.650 1.00 0.00 O ATOM 439 CB VAL A 27 -0.763 7.298 1.219 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.002 6.713 2.396 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.238 7.931 0.251 1.00 0.00 C ATOM 0 H VAL A 27 -2.510 7.959 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.965 5.615 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.457 8.048 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.581 7.499 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.701 6.287 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.675 5.933 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.829 8.681 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.899 7.160 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.300 8.404 -0.571 1.00 0.00 H new ATOM 451 N VAL A 28 -3.336 5.891 2.095 1.00 0.00 N ATOM 452 CA VAL A 28 -4.157 5.168 3.056 1.00 0.00 C ATOM 453 C VAL A 28 -5.066 4.172 2.369 1.00 0.00 C ATOM 454 O VAL A 28 -5.351 3.096 2.893 1.00 0.00 O ATOM 455 CB VAL A 28 -4.912 6.114 3.966 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.683 5.285 4.995 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.875 6.972 4.693 1.00 0.00 C ATOM 0 H VAL A 28 -3.621 6.859 1.948 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.489 4.591 3.696 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.605 6.738 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.233 5.951 5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.383 4.626 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.983 4.687 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.382 7.669 5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.214 6.329 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.289 7.530 3.963 1.00 0.00 H new ATOM 467 N ALA A 29 -5.519 4.560 1.189 1.00 0.00 N ATOM 468 CA ALA A 29 -6.401 3.746 0.381 1.00 0.00 C ATOM 469 C ALA A 29 -5.766 2.407 0.201 1.00 0.00 C ATOM 470 O ALA A 29 -6.417 1.362 0.205 1.00 0.00 O ATOM 471 CB ALA A 29 -6.511 4.386 -0.986 1.00 0.00 C ATOM 0 H ALA A 29 -5.281 5.456 0.764 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.379 3.656 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.172 3.790 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.917 5.393 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.523 4.438 -1.444 1.00 0.00 H new ATOM 477 N PHE A 30 -4.464 2.471 0.065 1.00 0.00 N ATOM 478 CA PHE A 30 -3.677 1.317 -0.087 1.00 0.00 C ATOM 479 C PHE A 30 -3.594 0.583 1.209 1.00 0.00 C ATOM 480 O PHE A 30 -3.711 -0.634 1.211 1.00 0.00 O ATOM 481 CB PHE A 30 -2.317 1.733 -0.521 1.00 0.00 C ATOM 482 CG PHE A 30 -2.339 1.928 -1.995 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.516 0.836 -2.838 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.218 3.206 -2.510 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.579 1.034 -4.210 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.280 3.414 -3.866 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.469 2.328 -4.733 1.00 0.00 C ATOM 0 H PHE A 30 -3.936 3.343 0.059 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.122 0.656 -0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.024 2.655 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.583 0.975 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.604 -0.159 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.074 4.043 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.713 0.192 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.183 4.413 -4.264 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.529 2.489 -5.799 1.00 0.00 H new ATOM 497 N ILE A 31 -3.432 1.324 2.324 1.00 0.00 N ATOM 498 CA ILE A 31 -3.374 0.645 3.616 1.00 0.00 C ATOM 499 C ILE A 31 -4.645 -0.172 3.736 1.00 0.00 C ATOM 500 O ILE A 31 -4.651 -1.301 4.232 1.00 0.00 O ATOM 501 CB ILE A 31 -3.370 1.606 4.813 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.205 2.586 4.754 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.251 0.793 6.114 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.396 3.618 5.875 1.00 0.00 C ATOM 0 H ILE A 31 -3.344 2.340 2.352 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.452 0.064 3.643 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.301 2.173 4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.258 2.060 4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.171 3.080 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.248 1.471 6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.097 0.111 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.324 0.220 6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.574 4.333 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.339 4.145 5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.411 3.109 6.839 1.00 0.00 H new ATOM 516 N ASN A 32 -5.723 0.445 3.254 1.00 0.00 N ATOM 517 CA ASN A 32 -7.032 -0.171 3.272 1.00 0.00 C ATOM 518 C ASN A 32 -7.086 -1.392 2.364 1.00 0.00 C ATOM 519 O ASN A 32 -7.717 -2.390 2.703 1.00 0.00 O ATOM 520 CB ASN A 32 -8.067 0.869 2.837 1.00 0.00 C ATOM 521 CG ASN A 32 -8.488 1.727 4.025 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.136 1.240 4.950 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.155 2.986 4.055 1.00 0.00 N ATOM 0 H ASN A 32 -5.706 1.379 2.845 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.250 -0.515 4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.650 1.501 2.053 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.938 0.370 2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.432 3.568 4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.618 3.390 3.288 1.00 0.00 H new ATOM 530 N SER A 33 -6.419 -1.318 1.217 1.00 0.00 N ATOM 531 CA SER A 33 -6.406 -2.436 0.296 1.00 0.00 C ATOM 532 C SER A 33 -5.638 -3.617 0.892 1.00 0.00 C ATOM 533 O SER A 33 -5.991 -4.773 0.657 1.00 0.00 O ATOM 534 CB SER A 33 -5.775 -2.007 -1.019 1.00 0.00 C ATOM 535 OG SER A 33 -6.410 -0.825 -1.488 1.00 0.00 O ATOM 0 H SER A 33 -5.888 -0.503 0.910 1.00 0.00 H new ATOM 0 HA SER A 33 -7.432 -2.755 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.708 -1.829 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.873 -2.802 -1.758 1.00 0.00 H new ATOM 0 HG SER A 33 -6.213 -0.084 -0.878 1.00 0.00 H new ATOM 541 N LEU A 34 -4.576 -3.314 1.652 1.00 0.00 N ATOM 542 CA LEU A 34 -3.755 -4.384 2.264 1.00 0.00 C ATOM 543 C LEU A 34 -4.599 -5.254 3.191 1.00 0.00 C ATOM 544 O LEU A 34 -4.524 -6.476 3.145 1.00 0.00 O ATOM 545 CB LEU A 34 -2.583 -3.848 3.117 1.00 0.00 C ATOM 546 CG LEU A 34 -1.959 -2.574 2.544 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.701 -2.211 3.341 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.575 -2.772 1.081 1.00 0.00 C ATOM 0 H LEU A 34 -4.266 -2.364 1.858 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.360 -4.949 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.938 -3.649 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.816 -4.618 3.195 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.694 -1.772 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.259 -1.303 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.967 -2.045 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.019 -3.027 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.133 -1.854 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.853 -3.584 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.465 -3.019 0.502 1.00 0.00 H new ATOM 560 N ARG A 35 -5.394 -4.611 4.039 1.00 0.00 N ATOM 561 CA ARG A 35 -6.246 -5.345 4.976 1.00 0.00 C ATOM 562 C ARG A 35 -7.396 -6.006 4.239 1.00 0.00 C ATOM 563 O ARG A 35 -7.806 -7.120 4.576 1.00 0.00 O ATOM 564 CB ARG A 35 -6.761 -4.422 6.081 1.00 0.00 C ATOM 565 CG ARG A 35 -7.610 -3.291 5.494 1.00 0.00 C ATOM 566 CD ARG A 35 -8.081 -2.358 6.616 1.00 0.00 C ATOM 567 NE ARG A 35 -9.009 -1.356 6.091 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.090 -1.704 5.398 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.971 -2.509 5.920 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.265 -1.242 4.196 1.00 0.00 N ATOM 0 H ARG A 35 -5.469 -3.596 4.100 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.648 -6.126 5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.354 -4.996 6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.919 -4.002 6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.029 -2.730 4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.470 -3.705 4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.568 -2.938 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.223 -1.864 7.071 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.823 -0.368 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.833 -2.874 6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.799 -2.774 5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.574 -0.614 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.093 -1.508 3.663 1.00 0.00 H new ATOM 584 N ASP A 36 -7.878 -5.327 3.204 1.00 0.00 N ATOM 585 CA ASP A 36 -8.944 -5.857 2.377 1.00 0.00 C ATOM 586 C ASP A 36 -8.412 -7.070 1.632 1.00 0.00 C ATOM 587 O ASP A 36 -9.178 -7.917 1.168 1.00 0.00 O ATOM 588 CB ASP A 36 -9.424 -4.780 1.385 1.00 0.00 C ATOM 589 CG ASP A 36 -10.176 -3.650 2.105 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.659 -3.869 3.207 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.257 -2.572 1.539 1.00 0.00 O ATOM 0 H ASP A 36 -7.543 -4.406 2.921 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.793 -6.149 2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.568 -4.367 0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.075 -5.235 0.639 1.00 0.00 H new ATOM 596 N ASP A 37 -7.078 -7.132 1.534 1.00 0.00 N ATOM 597 CA ASP A 37 -6.407 -8.231 0.849 1.00 0.00 C ATOM 598 C ASP A 37 -4.883 -8.140 1.035 1.00 0.00 C ATOM 599 O ASP A 37 -4.205 -7.416 0.297 1.00 0.00 O ATOM 600 CB ASP A 37 -6.750 -8.185 -0.646 1.00 0.00 C ATOM 601 CG ASP A 37 -6.422 -9.526 -1.317 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.367 -10.077 -1.034 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.231 -9.981 -2.108 1.00 0.00 O ATOM 0 H ASP A 37 -6.447 -6.431 1.922 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.750 -9.173 1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.808 -7.957 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.190 -7.384 -1.129 1.00 0.00 H new ATOM 608 N PRO A 38 -4.329 -8.853 1.997 1.00 0.00 N ATOM 609 CA PRO A 38 -2.860 -8.839 2.259 1.00 0.00 C ATOM 610 C PRO A 38 -2.086 -9.536 1.147 1.00 0.00 C ATOM 611 O PRO A 38 -0.980 -9.130 0.805 1.00 0.00 O ATOM 612 CB PRO A 38 -2.681 -9.571 3.594 1.00 0.00 C ATOM 613 CG PRO A 38 -4.041 -9.965 4.067 1.00 0.00 C ATOM 614 CD PRO A 38 -5.034 -9.745 2.925 1.00 0.00 C ATOM 0 HA PRO A 38 -2.472 -7.821 2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.048 -10.449 3.469 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.192 -8.926 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.046 -11.010 4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.326 -9.373 4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.303 -10.686 2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.959 -9.294 3.284 1.00 0.00 H new ATOM 622 N SER A 39 -2.691 -10.570 0.566 1.00 0.00 N ATOM 623 CA SER A 39 -2.061 -11.298 -0.527 1.00 0.00 C ATOM 624 C SER A 39 -1.824 -10.340 -1.681 1.00 0.00 C ATOM 625 O SER A 39 -0.857 -10.474 -2.434 1.00 0.00 O ATOM 626 CB SER A 39 -2.953 -12.457 -0.981 1.00 0.00 C ATOM 627 OG SER A 39 -3.298 -13.257 0.144 1.00 0.00 O ATOM 0 H SER A 39 -3.611 -10.919 0.834 1.00 0.00 H new ATOM 0 HA SER A 39 -1.111 -11.712 -0.188 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.855 -12.072 -1.457 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.433 -13.061 -1.725 1.00 0.00 H new ATOM 0 HG SER A 39 -3.870 -13.998 -0.145 1.00 0.00 H new ATOM 633 N GLN A 40 -2.721 -9.359 -1.791 1.00 0.00 N ATOM 634 CA GLN A 40 -2.623 -8.355 -2.831 1.00 0.00 C ATOM 635 C GLN A 40 -1.783 -7.168 -2.372 1.00 0.00 C ATOM 636 O GLN A 40 -1.578 -6.234 -3.137 1.00 0.00 O ATOM 637 CB GLN A 40 -4.019 -7.877 -3.247 1.00 0.00 C ATOM 638 CG GLN A 40 -4.746 -9.000 -3.997 1.00 0.00 C ATOM 639 CD GLN A 40 -4.115 -9.215 -5.370 1.00 0.00 C ATOM 640 OE1 GLN A 40 -4.148 -8.322 -6.218 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.532 -10.350 -5.641 1.00 0.00 N ATOM 0 H GLN A 40 -3.521 -9.245 -1.168 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.132 -8.812 -3.690 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.591 -7.584 -2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.938 -6.995 -3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.698 -9.923 -3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.801 -8.748 -4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.504 -11.090 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.104 -10.498 -6.555 1.00 0.00 H new ATOM 650 N SER A 41 -1.261 -7.218 -1.139 1.00 0.00 N ATOM 651 CA SER A 41 -0.413 -6.132 -0.641 1.00 0.00 C ATOM 652 C SER A 41 0.705 -5.929 -1.648 1.00 0.00 C ATOM 653 O SER A 41 1.138 -4.820 -1.892 1.00 0.00 O ATOM 654 CB SER A 41 0.181 -6.487 0.738 1.00 0.00 C ATOM 655 OG SER A 41 1.237 -7.423 0.561 1.00 0.00 O ATOM 0 H SER A 41 -1.408 -7.983 -0.481 1.00 0.00 H new ATOM 0 HA SER A 41 -1.002 -5.223 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.553 -5.588 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.590 -6.907 1.383 1.00 0.00 H new ATOM 0 HG SER A 41 2.072 -7.043 0.906 1.00 0.00 H new ATOM 661 N ALA A 42 1.119 -7.046 -2.247 1.00 0.00 N ATOM 662 CA ALA A 42 2.161 -7.074 -3.265 1.00 0.00 C ATOM 663 C ALA A 42 1.744 -6.305 -4.515 1.00 0.00 C ATOM 664 O ALA A 42 2.529 -5.577 -5.122 1.00 0.00 O ATOM 665 CB ALA A 42 2.390 -8.520 -3.675 1.00 0.00 C ATOM 0 H ALA A 42 0.733 -7.966 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 42 3.058 -6.616 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.168 -8.563 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.701 -9.100 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.465 -8.935 -4.076 1.00 0.00 H new ATOM 671 N ASN A 43 0.501 -6.514 -4.895 1.00 0.00 N ATOM 672 CA ASN A 43 -0.086 -5.888 -6.061 1.00 0.00 C ATOM 673 C ASN A 43 -0.358 -4.424 -5.820 1.00 0.00 C ATOM 674 O ASN A 43 -0.314 -3.597 -6.722 1.00 0.00 O ATOM 675 CB ASN A 43 -1.413 -6.554 -6.299 1.00 0.00 C ATOM 676 CG ASN A 43 -1.219 -7.953 -6.875 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.302 -8.145 -8.087 1.00 0.00 O ATOM 678 ND2 ASN A 43 -0.955 -8.947 -6.072 1.00 0.00 N ATOM 0 H ASN A 43 -0.139 -7.132 -4.396 1.00 0.00 H new ATOM 0 HA ASN A 43 0.600 -5.987 -6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.968 -6.615 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.009 -5.952 -6.985 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.817 -9.885 -6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.886 -8.786 -5.067 1.00 0.00 H new ATOM 685 N LEU A 44 -0.746 -4.159 -4.595 1.00 0.00 N ATOM 686 CA LEU A 44 -1.152 -2.837 -4.187 1.00 0.00 C ATOM 687 C LEU A 44 -0.042 -1.829 -4.257 1.00 0.00 C ATOM 688 O LEU A 44 -0.263 -0.749 -4.774 1.00 0.00 O ATOM 689 CB LEU A 44 -1.753 -2.940 -2.807 1.00 0.00 C ATOM 690 CG LEU A 44 -3.061 -3.723 -2.953 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.525 -4.290 -1.614 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.113 -2.793 -3.532 1.00 0.00 C ATOM 0 H LEU A 44 -0.789 -4.857 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.898 -2.461 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.072 -3.449 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.939 -1.950 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.900 -4.570 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.456 -4.840 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.763 -4.962 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.688 -3.474 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.054 -3.332 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.258 -1.946 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.783 -2.432 -4.506 1.00 0.00 H new ATOM 704 N LEU A 45 1.160 -2.175 -3.812 1.00 0.00 N ATOM 705 CA LEU A 45 2.255 -1.206 -3.965 1.00 0.00 C ATOM 706 C LEU A 45 2.523 -1.118 -5.439 1.00 0.00 C ATOM 707 O LEU A 45 2.903 -0.090 -5.945 1.00 0.00 O ATOM 708 CB LEU A 45 3.611 -1.448 -3.247 1.00 0.00 C ATOM 709 CG LEU A 45 3.658 -2.670 -2.357 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.572 -2.589 -1.289 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.544 -3.910 -3.231 1.00 0.00 C ATOM 0 H LEU A 45 1.401 -3.061 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 45 1.890 -0.306 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.393 -1.537 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.847 -0.570 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 45 4.606 -2.723 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.618 -3.475 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.727 -1.699 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.594 -2.535 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.576 -4.801 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.601 -3.885 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.373 -3.934 -3.939 1.00 0.00 H new ATOM 723 N ALA A 46 2.305 -2.235 -6.124 1.00 0.00 N ATOM 724 CA ALA A 46 2.504 -2.282 -7.560 1.00 0.00 C ATOM 725 C ALA A 46 1.583 -1.257 -8.177 1.00 0.00 C ATOM 726 O ALA A 46 1.965 -0.508 -9.077 1.00 0.00 O ATOM 727 CB ALA A 46 2.136 -3.658 -8.099 1.00 0.00 C ATOM 0 H ALA A 46 1.993 -3.112 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 46 3.548 -2.079 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.290 -3.679 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.765 -4.413 -7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.089 -3.867 -7.878 1.00 0.00 H new ATOM 733 N GLU A 47 0.370 -1.213 -7.629 1.00 0.00 N ATOM 734 CA GLU A 47 -0.625 -0.268 -8.052 1.00 0.00 C ATOM 735 C GLU A 47 -0.233 1.106 -7.569 1.00 0.00 C ATOM 736 O GLU A 47 -0.262 2.071 -8.305 1.00 0.00 O ATOM 737 CB GLU A 47 -1.959 -0.640 -7.409 1.00 0.00 C ATOM 738 CG GLU A 47 -2.927 -1.243 -8.440 1.00 0.00 C ATOM 739 CD GLU A 47 -2.908 -0.469 -9.765 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.199 0.714 -9.747 1.00 0.00 O ATOM 741 OE2 GLU A 47 -2.605 -1.076 -10.779 1.00 0.00 O ATOM 0 H GLU A 47 0.064 -1.836 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.708 -0.278 -9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.790 -1.355 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.408 0.246 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.659 -2.284 -8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.938 -1.241 -8.033 1.00 0.00 H new ATOM 748 N ALA A 48 0.128 1.142 -6.302 1.00 0.00 N ATOM 749 CA ALA A 48 0.530 2.365 -5.626 1.00 0.00 C ATOM 750 C ALA A 48 1.699 3.001 -6.341 1.00 0.00 C ATOM 751 O ALA A 48 1.695 4.193 -6.615 1.00 0.00 O ATOM 752 CB ALA A 48 0.918 2.037 -4.197 1.00 0.00 C ATOM 0 H ALA A 48 0.152 0.316 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.303 3.068 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.221 2.950 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.065 1.596 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.747 1.329 -4.198 1.00 0.00 H new ATOM 758 N LYS A 49 2.678 2.181 -6.672 1.00 0.00 N ATOM 759 CA LYS A 49 3.837 2.653 -7.409 1.00 0.00 C ATOM 760 C LYS A 49 3.355 3.159 -8.764 1.00 0.00 C ATOM 761 O LYS A 49 3.849 4.161 -9.275 1.00 0.00 O ATOM 762 CB LYS A 49 4.865 1.521 -7.568 1.00 0.00 C ATOM 763 CG LYS A 49 5.532 1.241 -6.208 1.00 0.00 C ATOM 764 CD LYS A 49 6.465 0.026 -6.311 1.00 0.00 C ATOM 765 CE LYS A 49 6.968 -0.361 -4.912 1.00 0.00 C ATOM 766 NZ LYS A 49 7.890 -1.527 -5.015 1.00 0.00 N ATOM 0 H LYS A 49 2.695 1.187 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 49 4.331 3.462 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.376 0.620 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.619 1.800 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.097 2.116 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.769 1.059 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.936 -0.813 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.309 0.258 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.483 0.483 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.125 -0.608 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.623 -2.244 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.826 -1.937 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.866 -1.215 -4.838 1.00 0.00 H new ATOM 780 N LYS A 50 2.333 2.478 -9.308 1.00 0.00 N ATOM 781 CA LYS A 50 1.732 2.886 -10.573 1.00 0.00 C ATOM 782 C LYS A 50 0.961 4.186 -10.365 1.00 0.00 C ATOM 783 O LYS A 50 0.973 5.064 -11.211 1.00 0.00 O ATOM 784 CB LYS A 50 0.776 1.793 -11.091 1.00 0.00 C ATOM 785 CG LYS A 50 1.241 1.263 -12.464 1.00 0.00 C ATOM 786 CD LYS A 50 1.666 -0.214 -12.355 1.00 0.00 C ATOM 787 CE LYS A 50 0.459 -1.107 -12.017 1.00 0.00 C ATOM 788 NZ LYS A 50 -0.688 -0.775 -12.909 1.00 0.00 N ATOM 0 H LYS A 50 1.913 1.648 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 50 2.520 3.037 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.733 0.972 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.233 2.196 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.435 1.363 -13.191 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.076 1.862 -12.828 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.112 -0.539 -13.295 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.430 -0.321 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.729 -2.157 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.172 -0.966 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.351 -1.576 -12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.178 0.068 -12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.337 -0.584 -13.869 1.00 0.00 H new ATOM 802 N LEU A 51 0.304 4.276 -9.206 1.00 0.00 N ATOM 803 CA LEU A 51 -0.483 5.442 -8.822 1.00 0.00 C ATOM 804 C LEU A 51 0.435 6.628 -8.611 1.00 0.00 C ATOM 805 O LEU A 51 0.165 7.746 -9.046 1.00 0.00 O ATOM 806 CB LEU A 51 -1.168 5.160 -7.484 1.00 0.00 C ATOM 807 CG LEU A 51 -2.603 4.636 -7.623 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.522 5.773 -8.095 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.666 3.414 -8.571 1.00 0.00 C ATOM 0 H LEU A 51 0.306 3.535 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.211 5.652 -9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.577 4.431 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.181 6.076 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.951 4.293 -6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.541 5.400 -8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.501 6.584 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.176 6.143 -9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.696 3.066 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.305 3.701 -9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.042 2.613 -8.174 1.00 0.00 H new ATOM 821 N ASN A 52 1.527 6.338 -7.917 1.00 0.00 N ATOM 822 CA ASN A 52 2.532 7.318 -7.593 1.00 0.00 C ATOM 823 C ASN A 52 3.112 7.874 -8.876 1.00 0.00 C ATOM 824 O ASN A 52 3.223 9.083 -9.068 1.00 0.00 O ATOM 825 CB ASN A 52 3.605 6.609 -6.747 1.00 0.00 C ATOM 826 CG ASN A 52 4.784 7.517 -6.428 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.812 8.141 -5.370 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.771 7.618 -7.274 1.00 0.00 N ATOM 0 H ASN A 52 1.734 5.404 -7.564 1.00 0.00 H new ATOM 0 HA ASN A 52 2.119 8.154 -7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.158 6.258 -5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.962 5.728 -7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.569 8.216 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.746 7.099 -8.152 1.00 0.00 H new ATOM 835 N ASP A 53 3.451 6.963 -9.762 1.00 0.00 N ATOM 836 CA ASP A 53 3.999 7.323 -11.042 1.00 0.00 C ATOM 837 C ASP A 53 2.943 7.963 -11.947 1.00 0.00 C ATOM 838 O ASP A 53 3.251 8.850 -12.745 1.00 0.00 O ATOM 839 CB ASP A 53 4.563 6.065 -11.714 1.00 0.00 C ATOM 840 CG ASP A 53 5.738 5.477 -10.912 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.279 6.167 -10.057 1.00 0.00 O ATOM 842 OD2 ASP A 53 6.075 4.332 -11.163 1.00 0.00 O ATOM 0 H ASP A 53 3.354 5.959 -9.612 1.00 0.00 H new ATOM 0 HA ASP A 53 4.790 8.057 -10.885 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.775 5.317 -11.809 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.895 6.308 -12.723 1.00 0.00 H new ATOM 847 N ALA A 54 1.711 7.457 -11.851 1.00 0.00 N ATOM 848 CA ALA A 54 0.612 7.927 -12.705 1.00 0.00 C ATOM 849 C ALA A 54 0.057 9.294 -12.342 1.00 0.00 C ATOM 850 O ALA A 54 -0.290 10.079 -13.229 1.00 0.00 O ATOM 851 CB ALA A 54 -0.541 6.956 -12.569 1.00 0.00 C ATOM 0 H ALA A 54 1.448 6.724 -11.193 1.00 0.00 H new ATOM 0 HA ALA A 54 1.030 7.995 -13.709 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.370 7.285 -13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.220 5.963 -12.885 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.865 6.919 -11.529 1.00 0.00 H new ATOM 857 N GLN A 55 -0.085 9.555 -11.050 1.00 0.00 N ATOM 858 CA GLN A 55 -0.670 10.808 -10.611 1.00 0.00 C ATOM 859 C GLN A 55 0.319 11.932 -10.663 1.00 0.00 C ATOM 860 O GLN A 55 0.013 13.012 -11.174 1.00 0.00 O ATOM 861 CB GLN A 55 -1.148 10.661 -9.180 1.00 0.00 C ATOM 862 CG GLN A 55 -2.294 9.654 -9.116 1.00 0.00 C ATOM 863 CD GLN A 55 -2.593 9.323 -7.667 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.419 8.467 -7.388 1.00 0.00 O ATOM 865 NE2 GLN A 55 -1.977 9.966 -6.717 1.00 0.00 N ATOM 0 H GLN A 55 0.193 8.924 -10.299 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.497 11.041 -11.282 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.326 10.331 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.479 11.626 -8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.181 10.065 -9.597 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.027 8.748 -9.660 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.287 10.681 -6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.184 9.755 -5.741 1.00 0.00 H new ATOM 874 N ALA A 56 1.495 11.671 -10.095 1.00 0.00 N ATOM 875 CA ALA A 56 2.548 12.688 -10.025 1.00 0.00 C ATOM 876 C ALA A 56 1.893 14.048 -9.689 1.00 0.00 C ATOM 877 O ALA A 56 1.855 14.952 -10.529 1.00 0.00 O ATOM 878 CB ALA A 56 3.293 12.740 -11.361 1.00 0.00 C ATOM 0 H ALA A 56 1.744 10.773 -9.679 1.00 0.00 H new ATOM 0 HA ALA A 56 3.272 12.445 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.077 13.496 -11.311 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.740 11.767 -11.567 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.594 12.994 -12.158 1.00 0.00 H new ATOM 884 N PRO A 57 1.306 14.157 -8.500 1.00 0.00 N ATOM 885 CA PRO A 57 0.543 15.351 -8.033 1.00 0.00 C ATOM 886 C PRO A 57 1.146 16.671 -8.508 1.00 0.00 C ATOM 887 O PRO A 57 2.121 17.172 -7.943 1.00 0.00 O ATOM 888 CB PRO A 57 0.541 15.235 -6.494 1.00 0.00 C ATOM 889 CG PRO A 57 1.289 13.983 -6.173 1.00 0.00 C ATOM 890 CD PRO A 57 1.320 13.153 -7.452 1.00 0.00 C ATOM 0 HA PRO A 57 -0.465 15.363 -8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.018 16.102 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.477 15.191 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.300 14.212 -5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.800 13.435 -5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.212 12.528 -7.505 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.460 12.487 -7.521 1.00 0.00 H new ATOM 898 N LYS A 58 0.553 17.208 -9.567 1.00 0.00 N ATOM 899 CA LYS A 58 1.013 18.463 -10.160 1.00 0.00 C ATOM 900 C LYS A 58 0.550 19.658 -9.322 1.00 0.00 C ATOM 901 O LYS A 58 -0.595 19.654 -8.895 1.00 0.00 O ATOM 902 CB LYS A 58 0.469 18.590 -11.588 1.00 0.00 C ATOM 903 CG LYS A 58 0.955 17.404 -12.432 1.00 0.00 C ATOM 904 CD LYS A 58 0.521 17.591 -13.892 1.00 0.00 C ATOM 905 CE LYS A 58 0.831 16.320 -14.694 1.00 0.00 C ATOM 906 NZ LYS A 58 2.276 15.977 -14.555 1.00 0.00 N ATOM 907 OXT LYS A 58 1.346 20.560 -9.120 1.00 0.00 O ATOM 0 H LYS A 58 -0.252 16.793 -10.037 1.00 0.00 H new ATOM 0 HA LYS A 58 2.103 18.457 -10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.621 18.615 -11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.803 19.527 -12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.041 17.325 -12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.546 16.474 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.546 17.810 -13.939 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.041 18.444 -14.329 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.215 15.494 -14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.583 16.472 -15.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.540 15.284 -15.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.850 16.837 -14.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.447 15.571 -13.613 1.00 0.00 H new TER 921 LYS A 58