USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=9 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 21 ASN : amide:sc= 0.545 K(o=-2.8,f=-6.1) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.39! C(o=-2.8!,f=-11!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.451 X(o=-0.8,f=-0.69) USER MOD Set 2.2: A 43 ASN : amide:sc= -0.35 X(o=-0.8,f=-1.2) USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.0733 (180deg=-0.742) USER MOD Single : A 3 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.015) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.114 K(o=0.11,f=-1.5!) USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= -2 (180deg=-2.87!) USER MOD Single : A 17 MET CE :methyl 171:sc= -10.2! (180deg=-10.5!) USER MOD Single : A 23 ASN : amide:sc= -1.7 K(o=-1.7,f=-9.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.48 F(o=-1.6,f=-0.48) USER MOD Single : A 32 ASN : amide:sc= 0.202 K(o=0.2,f=-1.6) USER MOD Single : A 33 SER OG : rot 67:sc= 0.997 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -92:sc= -0.819 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= -2.02! (180deg=-2.38!) USER MOD Single : A 55 GLN : amide:sc= -4.81! C(o=-4.8!,f=-7.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.881 -14.842 17.582 1.00 0.00 N ATOM 2 CA VAL A 1 1.376 -15.690 16.465 1.00 0.00 C ATOM 3 C VAL A 1 -0.056 -15.274 16.134 1.00 0.00 C ATOM 4 O VAL A 1 -0.960 -15.413 16.961 1.00 0.00 O ATOM 5 CB VAL A 1 1.423 -17.173 16.881 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.986 -18.061 15.707 1.00 0.00 C ATOM 7 CG2 VAL A 1 2.854 -17.549 17.296 1.00 0.00 C ATOM 0 H1 VAL A 1 2.920 -14.880 17.605 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.574 -13.859 17.438 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.502 -15.194 18.484 1.00 0.00 H new ATOM 0 HA VAL A 1 2.001 -15.557 15.582 1.00 0.00 H new ATOM 0 HB VAL A 1 0.746 -17.326 17.721 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.022 -19.108 16.009 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.032 -17.803 15.415 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.657 -17.904 14.863 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.884 -18.598 17.590 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.531 -17.388 16.457 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.164 -16.928 18.136 1.00 0.00 H new ATOM 19 N ASP A 2 -0.245 -14.757 14.920 1.00 0.00 N ATOM 20 CA ASP A 2 -1.563 -14.308 14.467 1.00 0.00 C ATOM 21 C ASP A 2 -1.590 -14.215 12.938 1.00 0.00 C ATOM 22 O ASP A 2 -0.775 -14.844 12.257 1.00 0.00 O ATOM 23 CB ASP A 2 -1.890 -12.940 15.094 1.00 0.00 C ATOM 24 CG ASP A 2 -0.947 -11.863 14.550 1.00 0.00 C ATOM 25 OD1 ASP A 2 0.211 -11.867 14.934 1.00 0.00 O ATOM 26 OD2 ASP A 2 -1.398 -11.055 13.752 1.00 0.00 O ATOM 0 H ASP A 2 0.498 -14.638 14.232 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.316 -15.030 14.783 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.924 -12.671 14.876 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.798 -12.999 16.179 1.00 0.00 H new ATOM 31 N ASN A 3 -2.524 -13.423 12.407 1.00 0.00 N ATOM 32 CA ASN A 3 -2.647 -13.244 10.961 1.00 0.00 C ATOM 33 C ASN A 3 -1.377 -12.615 10.394 1.00 0.00 C ATOM 34 O ASN A 3 -0.778 -11.735 11.016 1.00 0.00 O ATOM 35 CB ASN A 3 -3.845 -12.343 10.646 1.00 0.00 C ATOM 36 CG ASN A 3 -5.127 -12.960 11.196 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.658 -13.908 10.617 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.654 -12.482 12.288 1.00 0.00 N ATOM 0 H ASN A 3 -3.204 -12.897 12.956 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.796 -14.222 10.502 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.692 -11.356 11.082 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.932 -12.205 9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.508 -12.893 12.665 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.212 -11.697 12.766 1.00 0.00 H new ATOM 45 N LYS A 4 -0.971 -13.076 9.211 1.00 0.00 N ATOM 46 CA LYS A 4 0.236 -12.560 8.563 1.00 0.00 C ATOM 47 C LYS A 4 -0.033 -11.215 7.898 1.00 0.00 C ATOM 48 O LYS A 4 0.828 -10.668 7.204 1.00 0.00 O ATOM 49 CB LYS A 4 0.741 -13.559 7.518 1.00 0.00 C ATOM 50 CG LYS A 4 1.020 -14.909 8.192 1.00 0.00 C ATOM 51 CD LYS A 4 1.634 -15.881 7.177 1.00 0.00 C ATOM 52 CE LYS A 4 1.742 -17.277 7.801 1.00 0.00 C ATOM 53 NZ LYS A 4 0.620 -18.128 7.311 1.00 0.00 N ATOM 0 H LYS A 4 -1.457 -13.802 8.684 1.00 0.00 H new ATOM 0 HA LYS A 4 0.998 -12.421 9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.000 -13.681 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.649 -13.181 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.699 -14.772 9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.095 -15.324 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.019 -15.920 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.620 -15.530 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.698 -17.731 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.710 -17.205 8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.693 -19.075 7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.287 -17.697 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.671 -18.207 6.275 1.00 0.00 H new ATOM 67 N PHE A 5 -1.238 -10.702 8.110 1.00 0.00 N ATOM 68 CA PHE A 5 -1.649 -9.435 7.531 1.00 0.00 C ATOM 69 C PHE A 5 -0.695 -8.306 7.870 1.00 0.00 C ATOM 70 O PHE A 5 -0.193 -7.629 6.982 1.00 0.00 O ATOM 71 CB PHE A 5 -2.994 -9.033 8.120 1.00 0.00 C ATOM 72 CG PHE A 5 -4.139 -9.678 7.387 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.124 -11.054 7.113 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.230 -8.892 6.999 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.209 -11.636 6.443 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.307 -9.472 6.330 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.300 -10.839 6.052 1.00 0.00 C ATOM 0 H PHE A 5 -1.952 -11.151 8.684 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.680 -9.581 6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.030 -9.317 9.172 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.100 -7.949 8.078 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.283 -11.660 7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.238 -7.834 7.218 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.207 -12.694 6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.146 -8.863 6.027 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.135 -11.287 5.535 1.00 0.00 H new ATOM 87 N ASN A 6 -0.495 -8.092 9.169 1.00 0.00 N ATOM 88 CA ASN A 6 0.350 -7.006 9.639 1.00 0.00 C ATOM 89 C ASN A 6 1.764 -7.119 9.113 1.00 0.00 C ATOM 90 O ASN A 6 2.311 -6.142 8.621 1.00 0.00 O ATOM 91 CB ASN A 6 0.387 -7.010 11.159 1.00 0.00 C ATOM 92 CG ASN A 6 0.983 -5.702 11.675 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.365 -4.644 11.545 1.00 0.00 O ATOM 94 ND2 ASN A 6 2.155 -5.709 12.245 1.00 0.00 N ATOM 0 H ASN A 6 -0.908 -8.658 9.911 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.077 -6.075 9.267 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.620 -7.140 11.554 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.980 -7.853 11.513 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.562 -4.838 12.584 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.665 -6.586 12.352 1.00 0.00 H new ATOM 101 N LYS A 7 2.343 -8.313 9.209 1.00 0.00 N ATOM 102 CA LYS A 7 3.699 -8.528 8.737 1.00 0.00 C ATOM 103 C LYS A 7 3.799 -8.193 7.259 1.00 0.00 C ATOM 104 O LYS A 7 4.763 -7.569 6.820 1.00 0.00 O ATOM 105 CB LYS A 7 4.114 -9.978 8.996 1.00 0.00 C ATOM 106 CG LYS A 7 5.556 -10.230 8.513 1.00 0.00 C ATOM 107 CD LYS A 7 6.569 -9.563 9.466 1.00 0.00 C ATOM 108 CE LYS A 7 7.050 -8.222 8.892 1.00 0.00 C ATOM 109 NZ LYS A 7 7.626 -8.428 7.532 1.00 0.00 N ATOM 0 H LYS A 7 1.895 -9.138 9.607 1.00 0.00 H new ATOM 0 HA LYS A 7 4.377 -7.870 9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.039 -10.198 10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.430 -10.654 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.747 -11.302 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.682 -9.836 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.108 -9.403 10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.421 -10.225 9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.218 -7.519 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.799 -7.783 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.354 -7.708 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.053 -9.375 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.873 -8.345 6.820 1.00 0.00 H new ATOM 123 N GLU A 8 2.777 -8.587 6.506 1.00 0.00 N ATOM 124 CA GLU A 8 2.740 -8.302 5.083 1.00 0.00 C ATOM 125 C GLU A 8 2.449 -6.820 4.869 1.00 0.00 C ATOM 126 O GLU A 8 2.979 -6.187 3.955 1.00 0.00 O ATOM 127 CB GLU A 8 1.661 -9.173 4.434 1.00 0.00 C ATOM 128 CG GLU A 8 1.687 -8.987 2.920 1.00 0.00 C ATOM 129 CD GLU A 8 3.061 -9.355 2.353 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.405 -10.524 2.389 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.749 -8.456 1.890 1.00 0.00 O ATOM 0 H GLU A 8 1.970 -9.101 6.858 1.00 0.00 H new ATOM 0 HA GLU A 8 3.702 -8.530 4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.828 -10.221 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.680 -8.904 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.919 -9.609 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.451 -7.952 2.672 1.00 0.00 H new ATOM 138 N ARG A 9 1.603 -6.292 5.745 1.00 0.00 N ATOM 139 CA ARG A 9 1.206 -4.900 5.721 1.00 0.00 C ATOM 140 C ARG A 9 2.365 -3.984 6.057 1.00 0.00 C ATOM 141 O ARG A 9 2.422 -2.891 5.546 1.00 0.00 O ATOM 142 CB ARG A 9 0.049 -4.657 6.699 1.00 0.00 C ATOM 143 CG ARG A 9 -1.291 -4.783 5.957 1.00 0.00 C ATOM 144 CD ARG A 9 -2.376 -5.399 6.856 1.00 0.00 C ATOM 145 NE ARG A 9 -2.237 -4.956 8.247 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.269 -3.668 8.576 1.00 0.00 C ATOM 147 NH1 ARG A 9 -3.192 -2.887 8.085 1.00 0.00 N ATOM 148 NH2 ARG A 9 -1.375 -3.186 9.391 1.00 0.00 N ATOM 0 H ARG A 9 1.172 -6.828 6.498 1.00 0.00 H new ATOM 0 HA ARG A 9 0.876 -4.670 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.093 -5.378 7.516 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.138 -3.666 7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.614 -3.799 5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.160 -5.400 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.361 -5.121 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.313 -6.486 6.811 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.113 -5.654 8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.892 -3.264 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.213 -1.900 8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.653 -3.796 9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.397 -2.198 9.645 1.00 0.00 H new ATOM 162 N VAL A 10 3.272 -4.427 6.930 1.00 0.00 N ATOM 163 CA VAL A 10 4.416 -3.592 7.322 1.00 0.00 C ATOM 164 C VAL A 10 5.254 -3.326 6.104 1.00 0.00 C ATOM 165 O VAL A 10 5.680 -2.204 5.822 1.00 0.00 O ATOM 166 CB VAL A 10 5.343 -4.281 8.336 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.388 -3.262 8.831 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.559 -4.848 9.523 1.00 0.00 C ATOM 0 H VAL A 10 3.241 -5.344 7.375 1.00 0.00 H new ATOM 0 HA VAL A 10 4.004 -2.689 7.772 1.00 0.00 H new ATOM 0 HB VAL A 10 5.838 -5.117 7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.051 -3.741 9.551 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.972 -2.900 7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.881 -2.423 9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.248 -5.327 10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.034 -4.040 10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.836 -5.581 9.165 1.00 0.00 H new ATOM 178 N ILE A 11 5.493 -4.407 5.405 1.00 0.00 N ATOM 179 CA ILE A 11 6.281 -4.384 4.213 1.00 0.00 C ATOM 180 C ILE A 11 5.603 -3.506 3.180 1.00 0.00 C ATOM 181 O ILE A 11 6.224 -2.647 2.565 1.00 0.00 O ATOM 182 CB ILE A 11 6.377 -5.819 3.695 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.015 -6.720 4.770 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.207 -5.861 2.412 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.809 -8.192 4.392 1.00 0.00 C ATOM 0 H ILE A 11 5.141 -5.331 5.655 1.00 0.00 H new ATOM 0 HA ILE A 11 7.276 -3.985 4.411 1.00 0.00 H new ATOM 0 HB ILE A 11 5.374 -6.185 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.079 -6.502 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.567 -6.517 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.269 -6.888 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.735 -5.238 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.210 -5.487 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.260 -8.829 5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.742 -8.405 4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.278 -8.389 3.428 1.00 0.00 H new ATOM 197 N ALA A 12 4.318 -3.766 3.008 1.00 0.00 N ATOM 198 CA ALA A 12 3.495 -3.064 2.043 1.00 0.00 C ATOM 199 C ALA A 12 3.209 -1.616 2.420 1.00 0.00 C ATOM 200 O ALA A 12 3.361 -0.723 1.591 1.00 0.00 O ATOM 201 CB ALA A 12 2.196 -3.817 1.937 1.00 0.00 C ATOM 0 H ALA A 12 3.814 -4.476 3.539 1.00 0.00 H new ATOM 0 HA ALA A 12 4.037 -3.026 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.545 -3.320 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.392 -4.836 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.709 -3.841 2.912 1.00 0.00 H new ATOM 207 N ILE A 13 2.807 -1.379 3.666 1.00 0.00 N ATOM 208 CA ILE A 13 2.532 -0.030 4.115 1.00 0.00 C ATOM 209 C ILE A 13 3.814 0.762 4.001 1.00 0.00 C ATOM 210 O ILE A 13 3.818 1.917 3.611 1.00 0.00 O ATOM 211 CB ILE A 13 2.036 -0.031 5.576 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.499 1.370 5.922 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.184 -0.423 6.529 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.897 1.776 7.341 1.00 0.00 C ATOM 0 H ILE A 13 2.667 -2.101 4.373 1.00 0.00 H new ATOM 0 HA ILE A 13 1.749 0.416 3.502 1.00 0.00 H new ATOM 0 HB ILE A 13 1.237 -0.763 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.887 2.098 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.413 1.380 5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.821 -0.420 7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.544 -1.420 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.000 0.293 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.505 2.769 7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.487 1.060 8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.984 1.789 7.425 1.00 0.00 H new ATOM 226 N GLY A 14 4.906 0.087 4.323 1.00 0.00 N ATOM 227 CA GLY A 14 6.211 0.674 4.251 1.00 0.00 C ATOM 228 C GLY A 14 6.546 0.982 2.799 1.00 0.00 C ATOM 229 O GLY A 14 7.166 2.006 2.504 1.00 0.00 O ATOM 0 H GLY A 14 4.900 -0.882 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.245 1.587 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.952 -0.007 4.670 1.00 0.00 H new ATOM 233 N GLU A 15 6.108 0.095 1.883 1.00 0.00 N ATOM 234 CA GLU A 15 6.357 0.312 0.466 1.00 0.00 C ATOM 235 C GLU A 15 5.497 1.461 -0.050 1.00 0.00 C ATOM 236 O GLU A 15 5.965 2.335 -0.781 1.00 0.00 O ATOM 237 CB GLU A 15 5.955 -0.936 -0.335 1.00 0.00 C ATOM 238 CG GLU A 15 6.886 -2.121 -0.056 1.00 0.00 C ATOM 239 CD GLU A 15 7.646 -2.503 -1.328 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.557 -1.778 -1.692 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.298 -3.510 -1.925 1.00 0.00 O ATOM 0 H GLU A 15 5.592 -0.757 2.104 1.00 0.00 H new ATOM 0 HA GLU A 15 7.417 0.533 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.931 -1.213 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.972 -0.704 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.591 -1.862 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.307 -2.973 0.301 1.00 0.00 H new ATOM 248 N ILE A 16 4.221 1.411 0.321 1.00 0.00 N ATOM 249 CA ILE A 16 3.244 2.398 -0.105 1.00 0.00 C ATOM 250 C ILE A 16 3.441 3.772 0.542 1.00 0.00 C ATOM 251 O ILE A 16 3.298 4.804 -0.114 1.00 0.00 O ATOM 252 CB ILE A 16 1.841 1.816 0.107 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.632 0.796 -1.019 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.730 2.890 0.059 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.479 -0.137 -0.700 1.00 0.00 C ATOM 0 H ILE A 16 3.839 0.684 0.925 1.00 0.00 H new ATOM 0 HA ILE A 16 3.385 2.599 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 16 1.775 1.367 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.434 1.318 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.544 0.217 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.240 2.418 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.904 3.629 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.741 3.382 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.352 -0.850 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.691 -0.675 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.436 0.443 -0.580 1.00 0.00 H new ATOM 267 N MET A 17 3.756 3.781 1.826 1.00 0.00 N ATOM 268 CA MET A 17 3.961 5.033 2.552 1.00 0.00 C ATOM 269 C MET A 17 5.162 5.806 1.982 1.00 0.00 C ATOM 270 O MET A 17 5.266 7.020 2.164 1.00 0.00 O ATOM 271 CB MET A 17 4.147 4.741 4.050 1.00 0.00 C ATOM 272 CG MET A 17 2.795 4.334 4.667 1.00 0.00 C ATOM 273 SD MET A 17 1.675 5.752 4.768 1.00 0.00 S ATOM 274 CE MET A 17 0.123 4.801 4.763 1.00 0.00 C ATOM 0 H MET A 17 3.876 2.940 2.391 1.00 0.00 H new ATOM 0 HA MET A 17 3.080 5.662 2.428 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.876 3.943 4.188 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.539 5.622 4.557 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.339 3.548 4.066 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.955 3.921 5.663 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.712 5.467 4.980 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.021 4.345 3.784 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.172 4.021 5.523 1.00 0.00 H new ATOM 284 N ARG A 18 6.052 5.093 1.280 1.00 0.00 N ATOM 285 CA ARG A 18 7.232 5.706 0.667 1.00 0.00 C ATOM 286 C ARG A 18 6.832 6.567 -0.532 1.00 0.00 C ATOM 287 O ARG A 18 7.444 7.601 -0.807 1.00 0.00 O ATOM 288 CB ARG A 18 8.192 4.598 0.210 1.00 0.00 C ATOM 289 CG ARG A 18 9.416 5.200 -0.491 1.00 0.00 C ATOM 290 CD ARG A 18 10.316 4.072 -1.002 1.00 0.00 C ATOM 291 NE ARG A 18 11.537 4.623 -1.584 1.00 0.00 N ATOM 292 CZ ARG A 18 11.539 5.178 -2.791 1.00 0.00 C ATOM 293 NH1 ARG A 18 11.173 6.421 -2.937 1.00 0.00 N ATOM 294 NH2 ARG A 18 11.904 4.482 -3.829 1.00 0.00 N ATOM 0 H ARG A 18 5.975 4.088 1.123 1.00 0.00 H new ATOM 0 HA ARG A 18 7.722 6.345 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.512 4.009 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.675 3.918 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.099 5.832 -1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.969 5.836 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.567 3.398 -0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.783 3.482 -1.748 1.00 0.00 H new ATOM 0 HE ARG A 18 12.407 4.581 -1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.885 6.967 -2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.174 6.848 -3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.189 3.509 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.905 4.910 -4.755 1.00 0.00 H new ATOM 308 N LEU A 19 5.817 6.091 -1.245 1.00 0.00 N ATOM 309 CA LEU A 19 5.304 6.741 -2.450 1.00 0.00 C ATOM 310 C LEU A 19 5.145 8.260 -2.284 1.00 0.00 C ATOM 311 O LEU A 19 4.244 8.725 -1.582 1.00 0.00 O ATOM 312 CB LEU A 19 3.963 6.106 -2.802 1.00 0.00 C ATOM 313 CG LEU A 19 4.136 4.579 -2.863 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.799 3.910 -3.130 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.135 4.219 -3.963 1.00 0.00 C ATOM 0 H LEU A 19 5.321 5.234 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 19 6.027 6.595 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.213 6.371 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.607 6.484 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 19 4.516 4.224 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.935 2.829 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.102 4.158 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.400 4.262 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.256 3.137 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.765 4.580 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.097 4.684 -3.747 1.00 0.00 H new ATOM 327 N PRO A 20 6.012 9.033 -2.915 1.00 0.00 N ATOM 328 CA PRO A 20 5.982 10.526 -2.841 1.00 0.00 C ATOM 329 C PRO A 20 4.906 11.155 -3.732 1.00 0.00 C ATOM 330 O PRO A 20 4.678 12.365 -3.658 1.00 0.00 O ATOM 331 CB PRO A 20 7.375 10.961 -3.342 1.00 0.00 C ATOM 332 CG PRO A 20 8.125 9.715 -3.706 1.00 0.00 C ATOM 333 CD PRO A 20 7.120 8.573 -3.767 1.00 0.00 C ATOM 0 HA PRO A 20 5.748 10.851 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.285 11.621 -4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.905 11.517 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.625 9.836 -4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.899 9.505 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.788 8.387 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.549 7.642 -3.396 1.00 0.00 H new ATOM 341 N ASN A 21 4.282 10.350 -4.601 1.00 0.00 N ATOM 342 CA ASN A 21 3.276 10.880 -5.530 1.00 0.00 C ATOM 343 C ASN A 21 1.856 10.430 -5.191 1.00 0.00 C ATOM 344 O ASN A 21 1.025 10.219 -6.081 1.00 0.00 O ATOM 345 CB ASN A 21 3.639 10.465 -6.953 1.00 0.00 C ATOM 346 CG ASN A 21 4.721 11.387 -7.512 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.627 12.609 -7.387 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.744 10.875 -8.128 1.00 0.00 N ATOM 0 H ASN A 21 4.451 9.347 -4.681 1.00 0.00 H new ATOM 0 HA ASN A 21 3.284 11.966 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.991 9.433 -6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.754 10.504 -7.588 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.468 11.485 -8.508 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.823 9.863 -8.232 1.00 0.00 H new ATOM 355 N LEU A 22 1.577 10.314 -3.905 1.00 0.00 N ATOM 356 CA LEU A 22 0.250 9.924 -3.449 1.00 0.00 C ATOM 357 C LEU A 22 -0.199 10.812 -2.315 1.00 0.00 C ATOM 358 O LEU A 22 0.602 11.202 -1.463 1.00 0.00 O ATOM 359 CB LEU A 22 0.247 8.475 -2.970 1.00 0.00 C ATOM 360 CG LEU A 22 0.409 7.545 -4.165 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.806 6.159 -3.678 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.919 7.449 -4.911 1.00 0.00 C ATOM 0 H LEU A 22 2.249 10.484 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.434 10.028 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.057 8.314 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.684 8.255 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 22 1.180 7.936 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.922 5.493 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.749 6.220 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.031 5.770 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.808 6.784 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.684 7.055 -4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.215 8.440 -5.257 1.00 0.00 H new ATOM 374 N ASN A 23 -1.497 11.068 -2.273 1.00 0.00 N ATOM 375 CA ASN A 23 -2.062 11.846 -1.189 1.00 0.00 C ATOM 376 C ASN A 23 -2.274 10.881 -0.049 1.00 0.00 C ATOM 377 O ASN A 23 -2.349 9.671 -0.279 1.00 0.00 O ATOM 378 CB ASN A 23 -3.378 12.510 -1.615 1.00 0.00 C ATOM 379 CG ASN A 23 -4.191 11.565 -2.493 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.985 10.781 -1.986 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.025 11.588 -3.788 1.00 0.00 N ATOM 0 H ASN A 23 -2.171 10.751 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.398 12.658 -0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.956 12.785 -0.733 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.168 13.431 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.557 10.952 -4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.363 12.242 -4.206 1.00 0.00 H new ATOM 388 N SER A 24 -2.337 11.382 1.170 1.00 0.00 N ATOM 389 CA SER A 24 -2.496 10.496 2.308 1.00 0.00 C ATOM 390 C SER A 24 -3.648 9.535 2.099 1.00 0.00 C ATOM 391 O SER A 24 -3.571 8.397 2.503 1.00 0.00 O ATOM 392 CB SER A 24 -2.731 11.277 3.583 1.00 0.00 C ATOM 393 OG SER A 24 -3.867 12.119 3.429 1.00 0.00 O ATOM 0 H SER A 24 -2.282 12.375 1.396 1.00 0.00 H new ATOM 0 HA SER A 24 -1.569 9.930 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.885 10.592 4.417 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.852 11.876 3.821 1.00 0.00 H new ATOM 0 HG SER A 24 -4.017 12.621 4.257 1.00 0.00 H new ATOM 399 N LEU A 25 -4.706 9.992 1.456 1.00 0.00 N ATOM 400 CA LEU A 25 -5.854 9.139 1.217 1.00 0.00 C ATOM 401 C LEU A 25 -5.475 7.971 0.352 1.00 0.00 C ATOM 402 O LEU A 25 -5.795 6.853 0.689 1.00 0.00 O ATOM 403 CB LEU A 25 -6.951 9.908 0.512 1.00 0.00 C ATOM 404 CG LEU A 25 -7.298 11.193 1.270 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.321 12.325 0.917 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.696 11.613 0.849 1.00 0.00 C ATOM 0 H LEU A 25 -4.794 10.941 1.093 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.207 8.787 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.633 10.154 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.839 9.283 0.424 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.236 11.006 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.592 13.225 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.307 12.027 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.370 12.528 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.974 12.528 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.714 11.790 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.404 10.823 1.098 1.00 0.00 H new ATOM 418 N GLN A 26 -4.776 8.238 -0.747 1.00 0.00 N ATOM 419 CA GLN A 26 -4.344 7.172 -1.625 1.00 0.00 C ATOM 420 C GLN A 26 -3.368 6.297 -0.895 1.00 0.00 C ATOM 421 O GLN A 26 -3.464 5.078 -0.916 1.00 0.00 O ATOM 422 CB GLN A 26 -3.667 7.740 -2.845 1.00 0.00 C ATOM 423 CG GLN A 26 -4.727 8.284 -3.797 1.00 0.00 C ATOM 424 CD GLN A 26 -5.435 7.134 -4.512 1.00 0.00 C ATOM 425 OE1 GLN A 26 -4.740 6.300 -5.234 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -6.652 6.990 -4.404 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.502 9.175 -1.043 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.216 6.595 -1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.978 8.534 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.077 6.969 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.453 8.879 -3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.264 8.946 -4.528 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.195 7.643 -3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.118 6.217 -4.880 1.00 0.00 H new ATOM 435 N VAL A 27 -2.457 6.958 -0.209 1.00 0.00 N ATOM 436 CA VAL A 27 -1.453 6.289 0.577 1.00 0.00 C ATOM 437 C VAL A 27 -2.156 5.387 1.578 1.00 0.00 C ATOM 438 O VAL A 27 -1.792 4.226 1.767 1.00 0.00 O ATOM 439 CB VAL A 27 -0.639 7.384 1.299 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.147 6.830 2.479 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.338 8.037 0.319 1.00 0.00 C ATOM 0 H VAL A 27 -2.396 7.976 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.788 5.678 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.351 8.118 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.704 7.636 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.541 6.389 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.842 6.067 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.909 8.809 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.019 7.282 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.218 8.486 -0.504 1.00 0.00 H new ATOM 451 N VAL A 28 -3.190 5.945 2.177 1.00 0.00 N ATOM 452 CA VAL A 28 -4.013 5.229 3.138 1.00 0.00 C ATOM 453 C VAL A 28 -4.899 4.207 2.455 1.00 0.00 C ATOM 454 O VAL A 28 -5.177 3.137 2.994 1.00 0.00 O ATOM 455 CB VAL A 28 -4.799 6.186 4.008 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.584 5.372 5.040 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.786 7.073 4.735 1.00 0.00 C ATOM 0 H VAL A 28 -3.485 6.907 2.013 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.349 4.673 3.800 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.488 6.788 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.157 6.047 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.264 4.693 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.891 4.796 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.314 7.780 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.130 6.452 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.191 7.620 4.004 1.00 0.00 H new ATOM 467 N ALA A 29 -5.344 4.572 1.265 1.00 0.00 N ATOM 468 CA ALA A 29 -6.206 3.734 0.462 1.00 0.00 C ATOM 469 C ALA A 29 -5.545 2.405 0.304 1.00 0.00 C ATOM 470 O ALA A 29 -6.182 1.351 0.331 1.00 0.00 O ATOM 471 CB ALA A 29 -6.338 4.355 -0.916 1.00 0.00 C ATOM 0 H ALA A 29 -5.114 5.465 0.829 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.184 3.633 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.986 3.734 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.769 5.352 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.354 4.426 -1.379 1.00 0.00 H new ATOM 477 N PHE A 30 -4.240 2.484 0.164 1.00 0.00 N ATOM 478 CA PHE A 30 -3.447 1.334 0.034 1.00 0.00 C ATOM 479 C PHE A 30 -3.368 0.621 1.338 1.00 0.00 C ATOM 480 O PHE A 30 -3.450 -0.599 1.348 1.00 0.00 O ATOM 481 CB PHE A 30 -2.083 1.735 -0.425 1.00 0.00 C ATOM 482 CG PHE A 30 -2.148 1.929 -1.900 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.363 0.834 -2.736 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.041 3.204 -2.425 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.479 1.026 -4.104 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.153 3.405 -3.781 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.382 2.317 -4.636 1.00 0.00 C ATOM 0 H PHE A 30 -3.720 3.361 0.140 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.891 0.660 -0.698 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.766 2.653 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.352 0.968 -0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.439 -0.160 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.869 4.044 -1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.644 0.182 -4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.065 4.402 -4.188 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.483 2.475 -5.700 1.00 0.00 H new ATOM 497 N ILE A 31 -3.256 1.374 2.450 1.00 0.00 N ATOM 498 CA ILE A 31 -3.211 0.706 3.747 1.00 0.00 C ATOM 499 C ILE A 31 -4.464 -0.144 3.848 1.00 0.00 C ATOM 500 O ILE A 31 -4.455 -1.266 4.359 1.00 0.00 O ATOM 501 CB ILE A 31 -3.253 1.682 4.931 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.114 2.690 4.868 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.131 0.892 6.246 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.324 3.722 5.984 1.00 0.00 C ATOM 0 H ILE A 31 -3.198 2.392 2.472 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.279 0.144 3.800 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.199 2.221 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.155 2.187 4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.094 3.181 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.160 1.582 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.959 0.187 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.187 0.346 6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.518 4.455 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.279 4.227 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.324 3.218 6.950 1.00 0.00 H new ATOM 516 N ASN A 32 -5.546 0.441 3.336 1.00 0.00 N ATOM 517 CA ASN A 32 -6.846 -0.201 3.337 1.00 0.00 C ATOM 518 C ASN A 32 -6.891 -1.398 2.395 1.00 0.00 C ATOM 519 O ASN A 32 -7.510 -2.411 2.712 1.00 0.00 O ATOM 520 CB ASN A 32 -7.898 0.833 2.940 1.00 0.00 C ATOM 521 CG ASN A 32 -8.346 1.619 4.168 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.465 1.445 4.647 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.528 2.478 4.711 1.00 0.00 N ATOM 0 H ASN A 32 -5.540 1.369 2.912 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.049 -0.582 4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.488 1.512 2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.754 0.336 2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.816 3.007 5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.600 2.621 4.312 1.00 0.00 H new ATOM 530 N SER A 33 -6.242 -1.287 1.242 1.00 0.00 N ATOM 531 CA SER A 33 -6.235 -2.379 0.288 1.00 0.00 C ATOM 532 C SER A 33 -5.495 -3.592 0.853 1.00 0.00 C ATOM 533 O SER A 33 -5.853 -4.734 0.562 1.00 0.00 O ATOM 534 CB SER A 33 -5.581 -1.923 -1.005 1.00 0.00 C ATOM 535 OG SER A 33 -6.212 -0.735 -1.464 1.00 0.00 O ATOM 0 H SER A 33 -5.721 -0.460 0.951 1.00 0.00 H new ATOM 0 HA SER A 33 -7.265 -2.673 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.518 -1.743 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.661 -2.705 -1.760 1.00 0.00 H new ATOM 0 HG SER A 33 -6.022 -0.002 -0.841 1.00 0.00 H new ATOM 541 N LEU A 34 -4.448 -3.332 1.646 1.00 0.00 N ATOM 542 CA LEU A 34 -3.648 -4.432 2.231 1.00 0.00 C ATOM 543 C LEU A 34 -4.522 -5.342 3.089 1.00 0.00 C ATOM 544 O LEU A 34 -4.458 -6.561 2.977 1.00 0.00 O ATOM 545 CB LEU A 34 -2.517 -3.915 3.148 1.00 0.00 C ATOM 546 CG LEU A 34 -1.829 -2.663 2.593 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.550 -2.373 3.378 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.472 -2.843 1.118 1.00 0.00 C ATOM 0 H LEU A 34 -4.135 -2.394 1.897 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.223 -4.969 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.927 -3.692 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.775 -4.702 3.282 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.524 -1.830 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.070 -1.481 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.796 -2.210 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.129 -3.221 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.985 -1.940 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.796 -3.691 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.380 -3.026 0.544 1.00 0.00 H new ATOM 560 N ARG A 35 -5.335 -4.736 3.949 1.00 0.00 N ATOM 561 CA ARG A 35 -6.224 -5.503 4.822 1.00 0.00 C ATOM 562 C ARG A 35 -7.366 -6.099 4.022 1.00 0.00 C ATOM 563 O ARG A 35 -7.804 -7.221 4.283 1.00 0.00 O ATOM 564 CB ARG A 35 -6.744 -4.636 5.968 1.00 0.00 C ATOM 565 CG ARG A 35 -7.467 -3.394 5.433 1.00 0.00 C ATOM 566 CD ARG A 35 -7.907 -2.505 6.601 1.00 0.00 C ATOM 567 NE ARG A 35 -8.670 -1.358 6.111 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.826 -1.515 5.475 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.904 -1.808 6.143 1.00 0.00 N ATOM 570 NH2 ARG A 35 -9.879 -1.379 4.183 1.00 0.00 N ATOM 0 H ARG A 35 -5.398 -3.724 4.062 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.654 -6.322 5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.425 -5.218 6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.913 -4.332 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.807 -2.836 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.335 -3.692 4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.515 -3.083 7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.033 -2.159 7.152 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.307 -0.417 6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.862 -1.917 7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.791 -1.928 5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.034 -1.152 3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.766 -1.499 3.693 1.00 0.00 H new ATOM 584 N ASP A 36 -7.809 -5.352 3.016 1.00 0.00 N ATOM 585 CA ASP A 36 -8.862 -5.816 2.137 1.00 0.00 C ATOM 586 C ASP A 36 -8.335 -6.999 1.342 1.00 0.00 C ATOM 587 O ASP A 36 -9.105 -7.800 0.807 1.00 0.00 O ATOM 588 CB ASP A 36 -9.294 -4.683 1.189 1.00 0.00 C ATOM 589 CG ASP A 36 -10.005 -3.555 1.951 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.538 -3.812 3.023 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.006 -2.443 1.449 1.00 0.00 O ATOM 0 H ASP A 36 -7.451 -4.423 2.794 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.731 -6.121 2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.420 -4.283 0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.959 -5.081 0.422 1.00 0.00 H new ATOM 596 N ASP A 37 -6.998 -7.089 1.275 1.00 0.00 N ATOM 597 CA ASP A 37 -6.340 -8.165 0.541 1.00 0.00 C ATOM 598 C ASP A 37 -4.819 -8.158 0.785 1.00 0.00 C ATOM 599 O ASP A 37 -4.079 -7.451 0.093 1.00 0.00 O ATOM 600 CB ASP A 37 -6.623 -8.001 -0.959 1.00 0.00 C ATOM 601 CG ASP A 37 -6.341 -9.308 -1.709 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.323 -9.926 -1.436 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.147 -9.670 -2.549 1.00 0.00 O ATOM 0 H ASP A 37 -6.359 -6.430 1.720 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.735 -9.117 0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.662 -7.707 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.004 -7.201 -1.366 1.00 0.00 H new ATOM 608 N PRO A 38 -4.335 -8.935 1.737 1.00 0.00 N ATOM 609 CA PRO A 38 -2.875 -9.015 2.038 1.00 0.00 C ATOM 610 C PRO A 38 -2.114 -9.725 0.923 1.00 0.00 C ATOM 611 O PRO A 38 -0.940 -9.447 0.687 1.00 0.00 O ATOM 612 CB PRO A 38 -2.774 -9.792 3.356 1.00 0.00 C ATOM 613 CG PRO A 38 -4.170 -10.122 3.779 1.00 0.00 C ATOM 614 CD PRO A 38 -5.114 -9.815 2.615 1.00 0.00 C ATOM 0 HA PRO A 38 -2.429 -8.024 2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.187 -10.701 3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.271 -9.196 4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.243 -11.173 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.448 -9.538 4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.417 -10.726 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.025 -9.327 2.960 1.00 0.00 H new ATOM 622 N SER A 39 -2.804 -10.628 0.226 1.00 0.00 N ATOM 623 CA SER A 39 -2.198 -11.352 -0.886 1.00 0.00 C ATOM 624 C SER A 39 -1.824 -10.354 -1.969 1.00 0.00 C ATOM 625 O SER A 39 -0.846 -10.534 -2.695 1.00 0.00 O ATOM 626 CB SER A 39 -3.172 -12.393 -1.446 1.00 0.00 C ATOM 627 OG SER A 39 -3.727 -13.143 -0.374 1.00 0.00 O ATOM 0 H SER A 39 -3.777 -10.873 0.412 1.00 0.00 H new ATOM 0 HA SER A 39 -1.308 -11.875 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.965 -11.900 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.654 -13.056 -2.139 1.00 0.00 H new ATOM 0 HG SER A 39 -4.352 -13.809 -0.730 1.00 0.00 H new ATOM 633 N GLN A 40 -2.625 -9.288 -2.050 1.00 0.00 N ATOM 634 CA GLN A 40 -2.403 -8.235 -3.024 1.00 0.00 C ATOM 635 C GLN A 40 -1.525 -7.130 -2.445 1.00 0.00 C ATOM 636 O GLN A 40 -1.287 -6.130 -3.105 1.00 0.00 O ATOM 637 CB GLN A 40 -3.743 -7.647 -3.482 1.00 0.00 C ATOM 638 CG GLN A 40 -4.515 -8.687 -4.305 1.00 0.00 C ATOM 639 CD GLN A 40 -3.901 -8.817 -5.697 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.243 -9.814 -5.995 1.00 0.00 O ATOM 641 NE2 GLN A 40 -4.073 -7.863 -6.569 1.00 0.00 N ATOM 0 H GLN A 40 -3.434 -9.138 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.889 -8.671 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.332 -7.345 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.572 -6.752 -4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.493 -9.652 -3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.561 -8.393 -4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.618 -7.038 -6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.662 -7.942 -7.499 1.00 0.00 H new ATOM 650 N SER A 41 -1.014 -7.328 -1.226 1.00 0.00 N ATOM 651 CA SER A 41 -0.137 -6.333 -0.604 1.00 0.00 C ATOM 652 C SER A 41 0.991 -6.025 -1.574 1.00 0.00 C ATOM 653 O SER A 41 1.461 -4.904 -1.657 1.00 0.00 O ATOM 654 CB SER A 41 0.444 -6.885 0.705 1.00 0.00 C ATOM 655 OG SER A 41 1.328 -7.952 0.388 1.00 0.00 O ATOM 0 H SER A 41 -1.189 -8.156 -0.657 1.00 0.00 H new ATOM 0 HA SER A 41 -0.702 -5.429 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.974 -6.101 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.356 -7.236 1.357 1.00 0.00 H new ATOM 0 HG SER A 41 0.837 -8.800 0.407 1.00 0.00 H new ATOM 661 N ALA A 42 1.379 -7.065 -2.308 1.00 0.00 N ATOM 662 CA ALA A 42 2.427 -7.004 -3.317 1.00 0.00 C ATOM 663 C ALA A 42 1.986 -6.216 -4.547 1.00 0.00 C ATOM 664 O ALA A 42 2.751 -5.466 -5.150 1.00 0.00 O ATOM 665 CB ALA A 42 2.728 -8.423 -3.775 1.00 0.00 C ATOM 0 H ALA A 42 0.963 -7.992 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 42 3.294 -6.514 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.512 -8.402 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.061 -9.017 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.827 -8.868 -4.197 1.00 0.00 H new ATOM 671 N ASN A 43 0.746 -6.445 -4.922 1.00 0.00 N ATOM 672 CA ASN A 43 0.141 -5.814 -6.074 1.00 0.00 C ATOM 673 C ASN A 43 -0.155 -4.361 -5.811 1.00 0.00 C ATOM 674 O ASN A 43 -0.151 -3.524 -6.705 1.00 0.00 O ATOM 675 CB ASN A 43 -1.177 -6.499 -6.305 1.00 0.00 C ATOM 676 CG ASN A 43 -0.970 -7.880 -6.916 1.00 0.00 C ATOM 677 OD1 ASN A 43 -0.514 -8.799 -6.235 1.00 0.00 O ATOM 678 ND2 ASN A 43 -1.286 -8.086 -8.164 1.00 0.00 N ATOM 0 H ASN A 43 0.122 -7.083 -4.428 1.00 0.00 H new ATOM 0 HA ASN A 43 0.821 -5.890 -6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.714 -6.591 -5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.796 -5.893 -6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.156 -9.009 -8.577 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.664 -7.324 -8.727 1.00 0.00 H new ATOM 685 N LEU A 44 -0.520 -4.122 -4.576 1.00 0.00 N ATOM 686 CA LEU A 44 -0.947 -2.818 -4.141 1.00 0.00 C ATOM 687 C LEU A 44 0.137 -1.783 -4.208 1.00 0.00 C ATOM 688 O LEU A 44 -0.126 -0.693 -4.684 1.00 0.00 O ATOM 689 CB LEU A 44 -1.548 -2.953 -2.762 1.00 0.00 C ATOM 690 CG LEU A 44 -2.857 -3.730 -2.931 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.324 -4.328 -1.608 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.910 -2.791 -3.496 1.00 0.00 C ATOM 0 H LEU A 44 -0.529 -4.830 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.704 -2.446 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.868 -3.480 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.733 -1.973 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.693 -4.561 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.255 -4.873 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.564 -5.011 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.487 -3.529 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.849 -3.331 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.060 -1.957 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.578 -2.411 -4.462 1.00 0.00 H new ATOM 704 N LEU A 45 1.362 -2.111 -3.812 1.00 0.00 N ATOM 705 CA LEU A 45 2.415 -1.100 -3.972 1.00 0.00 C ATOM 706 C LEU A 45 2.623 -0.955 -5.456 1.00 0.00 C ATOM 707 O LEU A 45 2.939 0.102 -5.936 1.00 0.00 O ATOM 708 CB LEU A 45 3.800 -1.330 -3.305 1.00 0.00 C ATOM 709 CG LEU A 45 3.879 -2.570 -2.437 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.832 -2.511 -1.329 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.715 -3.791 -3.331 1.00 0.00 C ATOM 0 H LEU A 45 1.645 -3.002 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 45 2.045 -0.223 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.558 -1.398 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.046 -0.459 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 45 4.847 -2.633 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.902 -3.409 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.008 -1.632 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.838 -2.450 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.769 -4.695 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.748 -3.747 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.510 -3.806 -4.076 1.00 0.00 H new ATOM 723 N ALA A 46 2.422 -2.058 -6.174 1.00 0.00 N ATOM 724 CA ALA A 46 2.563 -2.056 -7.623 1.00 0.00 C ATOM 725 C ALA A 46 1.561 -1.069 -8.194 1.00 0.00 C ATOM 726 O ALA A 46 1.886 -0.239 -9.042 1.00 0.00 O ATOM 727 CB ALA A 46 2.259 -3.446 -8.171 1.00 0.00 C ATOM 0 H ALA A 46 2.162 -2.960 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 46 3.580 -1.777 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.365 -3.441 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.955 -4.167 -7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.239 -3.726 -7.908 1.00 0.00 H new ATOM 733 N GLU A 47 0.349 -1.155 -7.658 1.00 0.00 N ATOM 734 CA GLU A 47 -0.734 -0.277 -8.021 1.00 0.00 C ATOM 735 C GLU A 47 -0.373 1.121 -7.584 1.00 0.00 C ATOM 736 O GLU A 47 -0.481 2.078 -8.328 1.00 0.00 O ATOM 737 CB GLU A 47 -1.965 -0.732 -7.243 1.00 0.00 C ATOM 738 CG GLU A 47 -2.848 -1.632 -8.105 1.00 0.00 C ATOM 739 CD GLU A 47 -3.644 -2.587 -7.212 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.099 -3.619 -6.846 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.782 -2.273 -6.903 1.00 0.00 O ATOM 0 H GLU A 47 0.098 -1.847 -6.952 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.922 -0.296 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.656 -1.269 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.535 0.137 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.529 -1.025 -8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.233 -2.200 -8.803 1.00 0.00 H new ATOM 748 N ALA A 48 0.066 1.184 -6.348 1.00 0.00 N ATOM 749 CA ALA A 48 0.469 2.418 -5.713 1.00 0.00 C ATOM 750 C ALA A 48 1.608 3.074 -6.472 1.00 0.00 C ATOM 751 O ALA A 48 1.577 4.270 -6.738 1.00 0.00 O ATOM 752 CB ALA A 48 0.894 2.120 -4.295 1.00 0.00 C ATOM 0 H ALA A 48 0.155 0.366 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.373 3.110 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.201 3.044 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.059 1.680 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.730 1.420 -4.305 1.00 0.00 H new ATOM 758 N LYS A 49 2.593 2.272 -6.844 1.00 0.00 N ATOM 759 CA LYS A 49 3.714 2.773 -7.619 1.00 0.00 C ATOM 760 C LYS A 49 3.171 3.264 -8.954 1.00 0.00 C ATOM 761 O LYS A 49 3.613 4.288 -9.476 1.00 0.00 O ATOM 762 CB LYS A 49 4.765 1.671 -7.828 1.00 0.00 C ATOM 763 CG LYS A 49 5.530 1.427 -6.514 1.00 0.00 C ATOM 764 CD LYS A 49 6.504 0.252 -6.684 1.00 0.00 C ATOM 765 CE LYS A 49 7.065 -0.159 -5.315 1.00 0.00 C ATOM 766 NZ LYS A 49 8.239 -1.058 -5.505 1.00 0.00 N ATOM 0 H LYS A 49 2.638 1.277 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 49 4.205 3.590 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.281 0.751 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.460 1.962 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.077 2.326 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.827 1.214 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.993 -0.592 -7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.318 0.536 -7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.359 0.726 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.296 -0.667 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.618 -1.335 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.944 -1.908 -6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.975 -0.559 -6.044 1.00 0.00 H new ATOM 780 N LYS A 50 2.152 2.550 -9.463 1.00 0.00 N ATOM 781 CA LYS A 50 1.494 2.947 -10.699 1.00 0.00 C ATOM 782 C LYS A 50 0.690 4.217 -10.449 1.00 0.00 C ATOM 783 O LYS A 50 0.580 5.071 -11.316 1.00 0.00 O ATOM 784 CB LYS A 50 0.588 1.817 -11.217 1.00 0.00 C ATOM 785 CG LYS A 50 1.433 0.776 -11.964 1.00 0.00 C ATOM 786 CD LYS A 50 0.519 -0.304 -12.574 1.00 0.00 C ATOM 787 CE LYS A 50 0.947 -1.695 -12.089 1.00 0.00 C ATOM 788 NZ LYS A 50 0.316 -1.975 -10.768 1.00 0.00 N ATOM 0 H LYS A 50 1.776 1.704 -9.035 1.00 0.00 H new ATOM 0 HA LYS A 50 2.245 3.144 -11.464 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.066 1.346 -10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.174 2.225 -11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.011 1.261 -12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.147 0.316 -11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.517 -0.115 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.567 -0.259 -13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.650 -2.452 -12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.033 -1.744 -12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.733 -2.836 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.481 -1.173 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.707 -2.112 -10.894 1.00 0.00 H new ATOM 802 N LEU A 51 0.152 4.321 -9.229 1.00 0.00 N ATOM 803 CA LEU A 51 -0.634 5.475 -8.805 1.00 0.00 C ATOM 804 C LEU A 51 0.267 6.682 -8.675 1.00 0.00 C ATOM 805 O LEU A 51 -0.082 7.785 -9.081 1.00 0.00 O ATOM 806 CB LEU A 51 -1.246 5.203 -7.431 1.00 0.00 C ATOM 807 CG LEU A 51 -2.699 4.732 -7.513 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.580 5.898 -7.979 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.820 3.511 -8.451 1.00 0.00 C ATOM 0 H LEU A 51 0.252 3.604 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.415 5.656 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.652 4.447 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.196 6.111 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.040 4.413 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.617 5.569 -8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.501 6.720 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.248 6.235 -8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.860 3.189 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.480 3.784 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.205 2.696 -8.069 1.00 0.00 H new ATOM 821 N ASN A 52 1.435 6.441 -8.092 1.00 0.00 N ATOM 822 CA ASN A 52 2.417 7.483 -7.890 1.00 0.00 C ATOM 823 C ASN A 52 2.804 8.034 -9.240 1.00 0.00 C ATOM 824 O ASN A 52 2.826 9.245 -9.466 1.00 0.00 O ATOM 825 CB ASN A 52 3.622 6.864 -7.136 1.00 0.00 C ATOM 826 CG ASN A 52 5.015 7.300 -7.657 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.167 8.261 -8.405 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.064 6.629 -7.281 1.00 0.00 N ATOM 0 H ASN A 52 1.721 5.523 -7.751 1.00 0.00 H new ATOM 0 HA ASN A 52 2.030 8.307 -7.291 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.546 7.129 -6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.551 5.778 -7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.990 6.905 -7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.961 5.827 -6.660 1.00 0.00 H new ATOM 835 N ASP A 53 3.095 7.117 -10.135 1.00 0.00 N ATOM 836 CA ASP A 53 3.478 7.469 -11.470 1.00 0.00 C ATOM 837 C ASP A 53 2.297 8.075 -12.228 1.00 0.00 C ATOM 838 O ASP A 53 2.469 8.967 -13.062 1.00 0.00 O ATOM 839 CB ASP A 53 3.973 6.212 -12.196 1.00 0.00 C ATOM 840 CG ASP A 53 5.208 5.614 -11.500 1.00 0.00 C ATOM 841 OD1 ASP A 53 5.882 6.329 -10.770 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.459 4.438 -11.707 1.00 0.00 O ATOM 0 H ASP A 53 3.071 6.114 -9.953 1.00 0.00 H new ATOM 0 HA ASP A 53 4.275 8.212 -11.428 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.175 5.470 -12.227 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.219 6.459 -13.229 1.00 0.00 H new ATOM 847 N ALA A 54 1.105 7.544 -11.949 1.00 0.00 N ATOM 848 CA ALA A 54 -0.121 7.987 -12.631 1.00 0.00 C ATOM 849 C ALA A 54 -0.639 9.341 -12.172 1.00 0.00 C ATOM 850 O ALA A 54 -1.119 10.136 -12.984 1.00 0.00 O ATOM 851 CB ALA A 54 -1.219 6.985 -12.338 1.00 0.00 C ATOM 0 H ALA A 54 0.959 6.808 -11.258 1.00 0.00 H new ATOM 0 HA ALA A 54 0.135 8.066 -13.688 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.138 7.296 -12.835 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.922 6.002 -12.705 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.388 6.935 -11.262 1.00 0.00 H new ATOM 857 N GLN A 55 -0.584 9.578 -10.870 1.00 0.00 N ATOM 858 CA GLN A 55 -1.098 10.813 -10.307 1.00 0.00 C ATOM 859 C GLN A 55 -0.089 11.920 -10.404 1.00 0.00 C ATOM 860 O GLN A 55 -0.416 13.033 -10.822 1.00 0.00 O ATOM 861 CB GLN A 55 -1.436 10.611 -8.834 1.00 0.00 C ATOM 862 CG GLN A 55 -2.662 9.708 -8.683 1.00 0.00 C ATOM 863 CD GLN A 55 -2.996 9.543 -7.205 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.005 8.929 -6.864 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.213 10.069 -6.299 1.00 0.00 N ATOM 0 H GLN A 55 -0.189 8.932 -10.187 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.988 11.085 -10.875 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.585 10.168 -8.317 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.627 11.575 -8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.512 10.140 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.467 8.735 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.376 10.578 -6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.439 9.970 -5.309 1.00 0.00 H new ATOM 874 N ALA A 56 1.130 11.604 -9.974 1.00 0.00 N ATOM 875 CA ALA A 56 2.212 12.591 -9.958 1.00 0.00 C ATOM 876 C ALA A 56 1.646 13.941 -9.460 1.00 0.00 C ATOM 877 O ALA A 56 1.629 14.928 -10.199 1.00 0.00 O ATOM 878 CB ALA A 56 2.808 12.726 -11.362 1.00 0.00 C ATOM 0 H ALA A 56 1.395 10.680 -9.634 1.00 0.00 H new ATOM 0 HA ALA A 56 3.007 12.272 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.613 13.461 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.203 11.762 -11.684 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.033 13.051 -12.056 1.00 0.00 H new ATOM 884 N PRO A 57 1.124 13.963 -8.235 1.00 0.00 N ATOM 885 CA PRO A 57 0.471 15.151 -7.615 1.00 0.00 C ATOM 886 C PRO A 57 1.163 16.464 -7.972 1.00 0.00 C ATOM 887 O PRO A 57 2.208 16.806 -7.416 1.00 0.00 O ATOM 888 CB PRO A 57 0.520 14.875 -6.099 1.00 0.00 C ATOM 889 CG PRO A 57 1.190 13.550 -5.940 1.00 0.00 C ATOM 890 CD PRO A 57 1.108 12.855 -7.295 1.00 0.00 C ATOM 0 HA PRO A 57 -0.547 15.279 -7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.074 15.656 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.483 14.858 -5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.228 13.675 -5.631 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.697 12.957 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.949 12.180 -7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.200 12.260 -7.389 1.00 0.00 H new ATOM 898 N LYS A 58 0.553 17.181 -8.914 1.00 0.00 N ATOM 899 CA LYS A 58 1.073 18.467 -9.387 1.00 0.00 C ATOM 900 C LYS A 58 2.554 18.343 -9.792 1.00 0.00 C ATOM 901 O LYS A 58 2.809 17.717 -10.808 1.00 0.00 O ATOM 902 CB LYS A 58 0.876 19.536 -8.297 1.00 0.00 C ATOM 903 CG LYS A 58 -0.620 19.674 -7.991 1.00 0.00 C ATOM 904 CD LYS A 58 -0.844 20.777 -6.953 1.00 0.00 C ATOM 905 CE LYS A 58 -2.316 20.785 -6.534 1.00 0.00 C ATOM 906 NZ LYS A 58 -2.496 21.687 -5.362 1.00 0.00 N ATOM 907 OXT LYS A 58 3.408 18.862 -9.088 1.00 0.00 O ATOM 0 H LYS A 58 -0.312 16.891 -9.370 1.00 0.00 H new ATOM 0 HA LYS A 58 0.519 18.772 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.420 19.257 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.281 20.491 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.166 19.907 -8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.012 18.728 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.207 20.609 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.567 21.746 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.939 21.120 -7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.638 19.775 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.496 21.692 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.913 21.348 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.204 22.652 -5.618 1.00 0.00 H new TER 921 LYS A 58