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= -0.964 K(o=-13,f=-21!) USER MOD Set 1.2: A 26 GLN : amide:sc= -3.99! C(o=-13!,f=-14!) USER MOD Set 1.3: A 55 GLN : amide:sc= -7.95! C(o=-13!,f=-14!) USER MOD Set 2.1: A 21 ASN : amide:sc= -3.29! K(o=-6.7!,f=-2.9) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.37! C(o=-6.7!,f=-9.5!) USER MOD Single : A 1 VAL N :NH3+ -146:sc= -0.123 (180deg=-0.866) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= 0.923 (180deg=0.89) USER MOD Single : A 6 ASN : amide:sc= 0.00757 K(o=0.0076,f=-2!) USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= -2.45 (180deg=-4.6!) USER MOD Single : A 17 MET CE :methyl 167:sc= -9.87! (180deg=-10.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.445 X(o=-0.44,f=-0.42) USER MOD Single : A 33 SER OG : rot 64:sc= 0.215 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 41 SER OG : rot -89:sc= 0.133 USER MOD Single : A 43 ASN : amide:sc= -0.0146 K(o=-0.015,f=-2.8!) USER MOD Single : A 49 LYS NZ :NH3+ -149:sc= 0.432 (180deg=0.102) USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0693) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0287 (180deg=-0.424) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.258 -13.998 16.412 1.00 0.00 N ATOM 2 CA VAL A 1 0.862 -13.365 15.123 1.00 0.00 C ATOM 3 C VAL A 1 -0.060 -14.323 14.364 1.00 0.00 C ATOM 4 O VAL A 1 0.354 -14.984 13.407 1.00 0.00 O ATOM 5 CB VAL A 1 2.126 -13.046 14.297 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.745 -12.258 13.033 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.097 -12.206 15.141 1.00 0.00 C ATOM 0 H1 VAL A 1 1.358 -13.265 17.143 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.528 -14.679 16.703 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.165 -14.493 16.292 1.00 0.00 H new ATOM 0 HA VAL A 1 0.329 -12.432 15.306 1.00 0.00 H new ATOM 0 HB VAL A 1 2.604 -13.982 14.009 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.644 -12.038 12.457 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.061 -12.852 12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.259 -11.325 13.319 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.989 -11.982 14.555 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.612 -11.275 15.434 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.380 -12.764 16.033 1.00 0.00 H new ATOM 19 N ASP A 2 -1.316 -14.393 14.811 1.00 0.00 N ATOM 20 CA ASP A 2 -2.309 -15.268 14.185 1.00 0.00 C ATOM 21 C ASP A 2 -2.521 -14.876 12.723 1.00 0.00 C ATOM 22 O ASP A 2 -2.645 -15.738 11.851 1.00 0.00 O ATOM 23 CB ASP A 2 -3.636 -15.167 14.943 1.00 0.00 C ATOM 24 CG ASP A 2 -3.430 -15.551 16.408 1.00 0.00 C ATOM 25 OD1 ASP A 2 -3.330 -16.736 16.683 1.00 0.00 O ATOM 26 OD2 ASP A 2 -3.362 -14.653 17.232 1.00 0.00 O ATOM 0 H ASP A 2 -1.669 -13.855 15.603 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.944 -16.294 14.223 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.027 -14.152 14.876 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.376 -15.824 14.487 1.00 0.00 H new ATOM 31 N ASN A 3 -2.547 -13.566 12.474 1.00 0.00 N ATOM 32 CA ASN A 3 -2.730 -13.040 11.122 1.00 0.00 C ATOM 33 C ASN A 3 -1.406 -12.513 10.585 1.00 0.00 C ATOM 34 O ASN A 3 -0.744 -11.698 11.233 1.00 0.00 O ATOM 35 CB ASN A 3 -3.764 -11.909 11.137 1.00 0.00 C ATOM 36 CG ASN A 3 -5.130 -12.458 11.543 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.818 -13.075 10.730 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.562 -12.274 12.760 1.00 0.00 N ATOM 0 H ASN A 3 -2.443 -12.849 13.192 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.085 -13.844 10.477 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.454 -11.130 11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.826 -11.448 10.151 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.471 -12.642 13.039 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.990 -11.762 13.432 1.00 0.00 H new ATOM 45 N LYS A 4 -1.028 -12.981 9.396 1.00 0.00 N ATOM 46 CA LYS A 4 0.223 -12.554 8.770 1.00 0.00 C ATOM 47 C LYS A 4 0.030 -11.233 8.036 1.00 0.00 C ATOM 48 O LYS A 4 0.932 -10.752 7.344 1.00 0.00 O ATOM 49 CB LYS A 4 0.732 -13.630 7.798 1.00 0.00 C ATOM 50 CG LYS A 4 0.799 -14.998 8.502 1.00 0.00 C ATOM 51 CD LYS A 4 1.773 -14.942 9.690 1.00 0.00 C ATOM 52 CE LYS A 4 1.923 -16.337 10.307 1.00 0.00 C ATOM 53 NZ LYS A 4 2.379 -16.207 11.720 1.00 0.00 N ATOM 0 H LYS A 4 -1.567 -13.653 8.849 1.00 0.00 H new ATOM 0 HA LYS A 4 0.967 -12.411 9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.071 -13.690 6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.719 -13.356 7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.193 -15.284 8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.121 -15.763 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.744 -14.575 9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.406 -14.241 10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.972 -16.868 10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.640 -16.925 9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.611 -17.148 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.223 -15.601 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.621 -15.782 12.292 1.00 0.00 H new ATOM 67 N PHE A 5 -1.160 -10.664 8.198 1.00 0.00 N ATOM 68 CA PHE A 5 -1.514 -9.406 7.558 1.00 0.00 C ATOM 69 C PHE A 5 -0.513 -8.310 7.870 1.00 0.00 C ATOM 70 O PHE A 5 0.020 -7.681 6.968 1.00 0.00 O ATOM 71 CB PHE A 5 -2.845 -8.913 8.118 1.00 0.00 C ATOM 72 CG PHE A 5 -4.025 -9.575 7.459 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.057 -10.965 7.270 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.107 -8.784 7.051 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.177 -11.554 6.668 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.218 -9.372 6.453 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.257 -10.752 6.260 1.00 0.00 C ATOM 0 H PHE A 5 -1.902 -11.061 8.774 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.547 -9.598 6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.877 -9.103 9.191 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.915 -7.834 7.983 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.225 -11.576 7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.079 -7.715 7.201 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.210 -12.623 6.518 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.050 -8.759 6.139 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.120 -11.206 5.796 1.00 0.00 H new ATOM 87 N ASN A 6 -0.308 -8.064 9.164 1.00 0.00 N ATOM 88 CA ASN A 6 0.579 -6.995 9.603 1.00 0.00 C ATOM 89 C ASN A 6 1.960 -7.127 8.996 1.00 0.00 C ATOM 90 O ASN A 6 2.489 -6.159 8.476 1.00 0.00 O ATOM 91 CB ASN A 6 0.698 -7.013 11.123 1.00 0.00 C ATOM 92 CG ASN A 6 -0.673 -6.805 11.767 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.446 -5.952 11.328 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.023 -7.540 12.786 1.00 0.00 N ATOM 0 H ASN A 6 -0.744 -8.590 9.921 1.00 0.00 H new ATOM 0 HA ASN A 6 0.147 -6.052 9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.120 -7.963 11.450 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.383 -6.231 11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.937 -7.409 13.220 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.383 -8.246 13.149 1.00 0.00 H new ATOM 101 N LYS A 7 2.520 -8.328 9.038 1.00 0.00 N ATOM 102 CA LYS A 7 3.839 -8.573 8.475 1.00 0.00 C ATOM 103 C LYS A 7 3.851 -8.225 6.992 1.00 0.00 C ATOM 104 O LYS A 7 4.785 -7.589 6.507 1.00 0.00 O ATOM 105 CB LYS A 7 4.196 -10.039 8.716 1.00 0.00 C ATOM 106 CG LYS A 7 5.641 -10.341 8.279 1.00 0.00 C ATOM 107 CD LYS A 7 5.695 -10.668 6.781 1.00 0.00 C ATOM 108 CE LYS A 7 4.797 -11.873 6.455 1.00 0.00 C ATOM 109 NZ LYS A 7 3.560 -11.400 5.768 1.00 0.00 N ATOM 0 H LYS A 7 2.081 -9.148 9.457 1.00 0.00 H new ATOM 0 HA LYS A 7 4.586 -7.941 8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.076 -10.276 9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.506 -10.679 8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.278 -9.483 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.033 -11.180 8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.374 -9.802 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.722 -10.884 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.332 -12.578 5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.537 -12.404 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.189 -12.158 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.844 -11.145 6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.783 -10.567 5.186 1.00 0.00 H new ATOM 123 N GLU A 8 2.791 -8.613 6.291 1.00 0.00 N ATOM 124 CA GLU A 8 2.665 -8.320 4.868 1.00 0.00 C ATOM 125 C GLU A 8 2.410 -6.830 4.676 1.00 0.00 C ATOM 126 O GLU A 8 2.880 -6.213 3.719 1.00 0.00 O ATOM 127 CB GLU A 8 1.484 -9.126 4.309 1.00 0.00 C ATOM 128 CG GLU A 8 1.808 -9.650 2.911 1.00 0.00 C ATOM 129 CD GLU A 8 2.718 -10.875 3.006 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.201 -11.957 3.235 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.919 -10.714 2.858 1.00 0.00 O ATOM 0 H GLU A 8 2.006 -9.132 6.685 1.00 0.00 H new ATOM 0 HA GLU A 8 3.582 -8.592 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.259 -9.960 4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.593 -8.499 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.887 -9.911 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.295 -8.870 2.326 1.00 0.00 H new ATOM 138 N ARG A 9 1.647 -6.286 5.611 1.00 0.00 N ATOM 139 CA ARG A 9 1.268 -4.892 5.621 1.00 0.00 C ATOM 140 C ARG A 9 2.431 -3.984 5.968 1.00 0.00 C ATOM 141 O ARG A 9 2.483 -2.882 5.479 1.00 0.00 O ATOM 142 CB ARG A 9 0.102 -4.675 6.589 1.00 0.00 C ATOM 143 CG ARG A 9 -1.176 -5.235 5.949 1.00 0.00 C ATOM 144 CD ARG A 9 -2.290 -5.393 6.986 1.00 0.00 C ATOM 145 NE ARG A 9 -2.877 -4.095 7.314 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.265 -3.241 8.128 1.00 0.00 C ATOM 147 NH1 ARG A 9 -1.950 -3.603 9.340 1.00 0.00 N ATOM 148 NH2 ARG A 9 -1.978 -2.041 7.711 1.00 0.00 N ATOM 0 H ARG A 9 1.269 -6.816 6.397 1.00 0.00 H new ATOM 0 HA ARG A 9 0.952 -4.627 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.300 -5.174 7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.017 -3.613 6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.509 -4.570 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.963 -6.200 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.061 -6.060 6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.891 -5.856 7.888 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.777 -3.839 6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.173 -4.544 9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.480 -2.946 9.963 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.223 -1.759 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.508 -1.383 8.334 1.00 0.00 H new ATOM 162 N VAL A 10 3.352 -4.441 6.821 1.00 0.00 N ATOM 163 CA VAL A 10 4.498 -3.607 7.210 1.00 0.00 C ATOM 164 C VAL A 10 5.307 -3.317 5.977 1.00 0.00 C ATOM 165 O VAL A 10 5.710 -2.187 5.693 1.00 0.00 O ATOM 166 CB VAL A 10 5.457 -4.313 8.187 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.519 -3.301 8.663 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.714 -4.899 9.391 1.00 0.00 C ATOM 0 H VAL A 10 3.331 -5.366 7.250 1.00 0.00 H new ATOM 0 HA VAL A 10 4.091 -2.718 7.691 1.00 0.00 H new ATOM 0 HB VAL A 10 5.932 -5.143 7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.204 -3.791 9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.077 -2.928 7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.028 -2.468 9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.426 -5.388 10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.206 -4.099 9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.980 -5.628 9.046 1.00 0.00 H new ATOM 178 N ILE A 11 5.540 -4.391 5.266 1.00 0.00 N ATOM 179 CA ILE A 11 6.296 -4.360 4.054 1.00 0.00 C ATOM 180 C ILE A 11 5.595 -3.474 3.042 1.00 0.00 C ATOM 181 O ILE A 11 6.202 -2.620 2.410 1.00 0.00 O ATOM 182 CB ILE A 11 6.368 -5.793 3.524 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.051 -6.701 4.565 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.138 -5.832 2.206 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.825 -8.167 4.185 1.00 0.00 C ATOM 0 H ILE A 11 5.203 -5.319 5.521 1.00 0.00 H new ATOM 0 HA ILE A 11 7.296 -3.963 4.229 1.00 0.00 H new ATOM 0 HB ILE A 11 5.356 -6.155 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.119 -6.485 4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.646 -6.504 5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.182 -6.858 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.633 -5.206 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.150 -5.460 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.307 -8.812 4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.756 -8.377 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.251 -8.357 3.200 1.00 0.00 H new ATOM 197 N ALA A 12 4.306 -3.729 2.902 1.00 0.00 N ATOM 198 CA ALA A 12 3.467 -3.021 1.956 1.00 0.00 C ATOM 199 C ALA A 12 3.175 -1.580 2.353 1.00 0.00 C ATOM 200 O ALA A 12 3.312 -0.677 1.532 1.00 0.00 O ATOM 201 CB ALA A 12 2.176 -3.785 1.851 1.00 0.00 C ATOM 0 H ALA A 12 3.811 -4.437 3.445 1.00 0.00 H new ATOM 0 HA ALA A 12 3.998 -2.964 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.513 -3.284 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.380 -4.797 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.698 -3.829 2.830 1.00 0.00 H new ATOM 207 N ILE A 13 2.788 -1.357 3.606 1.00 0.00 N ATOM 208 CA ILE A 13 2.512 -0.014 4.068 1.00 0.00 C ATOM 209 C ILE A 13 3.790 0.783 3.939 1.00 0.00 C ATOM 210 O ILE A 13 3.784 1.936 3.548 1.00 0.00 O ATOM 211 CB ILE A 13 2.039 -0.027 5.537 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.497 1.369 5.899 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.206 -0.414 6.472 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.910 1.768 7.315 1.00 0.00 C ATOM 0 H ILE A 13 2.661 -2.086 4.308 1.00 0.00 H new ATOM 0 HA ILE A 13 1.716 0.432 3.471 1.00 0.00 H new ATOM 0 HB ILE A 13 1.248 -0.767 5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.872 2.104 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.410 1.373 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.858 -0.419 7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.571 -1.406 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.014 0.310 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.514 2.757 7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.513 1.044 8.027 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.998 1.787 7.385 1.00 0.00 H new ATOM 226 N GLY A 14 4.888 0.114 4.244 1.00 0.00 N ATOM 227 CA GLY A 14 6.188 0.710 4.153 1.00 0.00 C ATOM 228 C GLY A 14 6.488 1.039 2.697 1.00 0.00 C ATOM 229 O GLY A 14 7.097 2.069 2.399 1.00 0.00 O ATOM 0 H GLY A 14 4.892 -0.856 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.229 1.615 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.942 0.028 4.547 1.00 0.00 H new ATOM 233 N GLU A 15 6.036 0.160 1.782 1.00 0.00 N ATOM 234 CA GLU A 15 6.254 0.390 0.362 1.00 0.00 C ATOM 235 C GLU A 15 5.372 1.526 -0.143 1.00 0.00 C ATOM 236 O GLU A 15 5.821 2.404 -0.876 1.00 0.00 O ATOM 237 CB GLU A 15 5.863 -0.861 -0.436 1.00 0.00 C ATOM 238 CG GLU A 15 6.849 -2.008 -0.209 1.00 0.00 C ATOM 239 CD GLU A 15 7.776 -2.153 -1.419 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.302 -2.578 -2.462 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.945 -1.823 -1.290 1.00 0.00 O ATOM 0 H GLU A 15 5.529 -0.696 2.005 1.00 0.00 H new ATOM 0 HA GLU A 15 7.308 0.634 0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.862 -1.179 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.825 -0.618 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.437 -1.820 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.305 -2.938 -0.044 1.00 0.00 H new ATOM 248 N ILE A 16 4.100 1.465 0.236 1.00 0.00 N ATOM 249 CA ILE A 16 3.119 2.449 -0.179 1.00 0.00 C ATOM 250 C ILE A 16 3.322 3.814 0.484 1.00 0.00 C ATOM 251 O ILE A 16 3.130 4.855 -0.141 1.00 0.00 O ATOM 252 CB ILE A 16 1.722 1.861 0.033 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.532 0.823 -1.076 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.601 2.923 -0.044 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.375 -0.101 -0.760 1.00 0.00 C ATOM 0 H ILE A 16 3.725 0.732 0.838 1.00 0.00 H new ATOM 0 HA ILE A 16 3.247 2.661 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 16 1.652 1.431 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.350 1.328 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.446 0.241 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.365 2.444 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.762 3.678 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.615 3.396 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.261 -0.829 -1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.571 -0.622 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.541 0.482 -0.666 1.00 0.00 H new ATOM 267 N MET A 17 3.710 3.802 1.750 1.00 0.00 N ATOM 268 CA MET A 17 3.944 5.043 2.482 1.00 0.00 C ATOM 269 C MET A 17 5.156 5.784 1.897 1.00 0.00 C ATOM 270 O MET A 17 5.297 6.995 2.074 1.00 0.00 O ATOM 271 CB MET A 17 4.140 4.746 3.976 1.00 0.00 C ATOM 272 CG MET A 17 2.793 4.337 4.603 1.00 0.00 C ATOM 273 SD MET A 17 1.653 5.739 4.672 1.00 0.00 S ATOM 274 CE MET A 17 0.115 4.768 4.643 1.00 0.00 C ATOM 0 H MET A 17 3.870 2.953 2.292 1.00 0.00 H new ATOM 0 HA MET A 17 3.073 5.690 2.378 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.870 3.947 4.106 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.536 5.626 4.483 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.347 3.531 4.021 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.959 3.950 5.608 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.725 5.409 4.908 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.040 4.362 3.643 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.188 3.950 5.360 1.00 0.00 H new ATOM 284 N ARG A 18 6.013 5.041 1.179 1.00 0.00 N ATOM 285 CA ARG A 18 7.196 5.605 0.542 1.00 0.00 C ATOM 286 C ARG A 18 6.793 6.531 -0.603 1.00 0.00 C ATOM 287 O ARG A 18 7.466 7.524 -0.882 1.00 0.00 O ATOM 288 CB ARG A 18 8.045 4.451 -0.002 1.00 0.00 C ATOM 289 CG ARG A 18 9.303 4.972 -0.705 1.00 0.00 C ATOM 290 CD ARG A 18 9.977 3.809 -1.432 1.00 0.00 C ATOM 291 NE ARG A 18 10.341 2.752 -0.485 1.00 0.00 N ATOM 292 CZ ARG A 18 10.136 1.466 -0.765 1.00 0.00 C ATOM 293 NH1 ARG A 18 9.015 1.083 -1.308 1.00 0.00 N ATOM 294 NH2 ARG A 18 11.056 0.586 -0.492 1.00 0.00 N ATOM 0 H ARG A 18 5.899 4.039 1.029 1.00 0.00 H new ATOM 0 HA ARG A 18 7.764 6.186 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.330 3.789 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.454 3.859 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.042 5.759 -1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.987 5.411 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.305 3.409 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.868 4.164 -1.950 1.00 0.00 H new ATOM 0 HE ARG A 18 10.761 3.007 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.291 1.769 -1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.862 0.097 -1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.933 0.881 -0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.899 -0.399 -0.706 1.00 0.00 H new ATOM 308 N LEU A 19 5.698 6.161 -1.269 1.00 0.00 N ATOM 309 CA LEU A 19 5.175 6.896 -2.413 1.00 0.00 C ATOM 310 C LEU A 19 5.102 8.406 -2.139 1.00 0.00 C ATOM 311 O LEU A 19 4.257 8.864 -1.367 1.00 0.00 O ATOM 312 CB LEU A 19 3.802 6.320 -2.757 1.00 0.00 C ATOM 313 CG LEU A 19 3.929 4.786 -2.886 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.566 4.139 -3.151 1.00 0.00 C ATOM 315 CD2 LEU A 19 4.914 4.465 -4.012 1.00 0.00 C ATOM 0 H LEU A 19 5.148 5.337 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 19 5.849 6.780 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.080 6.576 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.435 6.749 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 19 4.302 4.376 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.686 3.059 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.890 4.364 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.150 4.533 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.012 3.384 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.546 4.885 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.887 4.897 -3.779 1.00 0.00 H new ATOM 327 N PRO A 20 6.002 9.173 -2.736 1.00 0.00 N ATOM 328 CA PRO A 20 6.078 10.652 -2.534 1.00 0.00 C ATOM 329 C PRO A 20 5.000 11.443 -3.275 1.00 0.00 C ATOM 330 O PRO A 20 4.842 12.639 -3.019 1.00 0.00 O ATOM 331 CB PRO A 20 7.457 11.051 -3.093 1.00 0.00 C ATOM 332 CG PRO A 20 8.103 9.809 -3.623 1.00 0.00 C ATOM 333 CD PRO A 20 7.045 8.714 -3.669 1.00 0.00 C ATOM 0 HA PRO A 20 5.929 10.881 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.350 11.795 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.072 11.500 -2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.512 9.986 -4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.935 9.509 -2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.649 8.586 -4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.456 7.752 -3.364 1.00 0.00 H new ATOM 341 N ASN A 21 4.291 10.808 -4.214 1.00 0.00 N ATOM 342 CA ASN A 21 3.280 11.544 -4.985 1.00 0.00 C ATOM 343 C ASN A 21 1.906 11.447 -4.343 1.00 0.00 C ATOM 344 O ASN A 21 1.342 12.458 -3.920 1.00 0.00 O ATOM 345 CB ASN A 21 3.245 11.047 -6.442 1.00 0.00 C ATOM 346 CG ASN A 21 4.650 11.134 -7.039 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.376 12.096 -6.787 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.081 10.192 -7.822 1.00 0.00 N ATOM 0 H ASN A 21 4.391 9.822 -4.454 1.00 0.00 H new ATOM 0 HA ASN A 21 3.563 12.597 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.885 10.019 -6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.551 11.650 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.016 10.252 -8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.484 9.393 -8.034 1.00 0.00 H new ATOM 355 N LEU A 22 1.379 10.231 -4.277 1.00 0.00 N ATOM 356 CA LEU A 22 0.056 9.972 -3.697 1.00 0.00 C ATOM 357 C LEU A 22 -0.231 10.826 -2.476 1.00 0.00 C ATOM 358 O LEU A 22 0.668 11.122 -1.684 1.00 0.00 O ATOM 359 CB LEU A 22 -0.021 8.518 -3.261 1.00 0.00 C ATOM 360 CG LEU A 22 0.114 7.613 -4.475 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.642 6.263 -4.020 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.253 7.439 -5.126 1.00 0.00 C ATOM 0 H LEU A 22 1.851 9.395 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.676 10.213 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.770 8.301 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.969 8.329 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 22 0.802 8.052 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.744 5.603 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.615 6.394 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.053 5.822 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.161 6.791 -5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.942 6.990 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.635 8.412 -5.436 1.00 0.00 H new ATOM 374 N ASN A 23 -1.506 11.152 -2.294 1.00 0.00 N ATOM 375 CA ASN A 23 -1.915 11.904 -1.123 1.00 0.00 C ATOM 376 C ASN A 23 -2.132 10.898 -0.018 1.00 0.00 C ATOM 377 O ASN A 23 -2.260 9.702 -0.291 1.00 0.00 O ATOM 378 CB ASN A 23 -3.188 12.721 -1.393 1.00 0.00 C ATOM 379 CG ASN A 23 -4.189 11.915 -2.211 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.675 10.882 -1.754 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.522 12.325 -3.403 1.00 0.00 N ATOM 0 H ASN A 23 -2.262 10.910 -2.935 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.149 12.628 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.641 13.019 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.931 13.637 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.188 11.788 -3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.117 13.182 -3.779 1.00 0.00 H new ATOM 388 N SER A 24 -2.147 11.358 1.218 1.00 0.00 N ATOM 389 CA SER A 24 -2.310 10.443 2.331 1.00 0.00 C ATOM 390 C SER A 24 -3.507 9.532 2.131 1.00 0.00 C ATOM 391 O SER A 24 -3.459 8.383 2.500 1.00 0.00 O ATOM 392 CB SER A 24 -2.476 11.202 3.634 1.00 0.00 C ATOM 393 OG SER A 24 -3.607 12.061 3.549 1.00 0.00 O ATOM 0 H SER A 24 -2.050 12.340 1.474 1.00 0.00 H new ATOM 0 HA SER A 24 -1.408 9.833 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.600 10.502 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.579 11.785 3.843 1.00 0.00 H new ATOM 0 HG SER A 24 -3.712 12.548 4.393 1.00 0.00 H new ATOM 399 N LEU A 25 -4.571 10.044 1.540 1.00 0.00 N ATOM 400 CA LEU A 25 -5.762 9.237 1.321 1.00 0.00 C ATOM 401 C LEU A 25 -5.471 8.067 0.424 1.00 0.00 C ATOM 402 O LEU A 25 -5.826 6.953 0.757 1.00 0.00 O ATOM 403 CB LEU A 25 -6.843 10.071 0.667 1.00 0.00 C ATOM 404 CG LEU A 25 -7.107 11.354 1.464 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.103 12.455 1.087 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.505 11.834 1.118 1.00 0.00 C ATOM 0 H LEU A 25 -4.638 11.005 1.205 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.092 8.875 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.545 10.326 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.762 9.489 0.594 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.005 11.144 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.313 13.353 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.091 12.113 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.192 12.680 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.723 12.748 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.567 12.033 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.230 11.066 1.386 1.00 0.00 H new ATOM 418 N GLN A 26 -4.813 8.324 -0.698 1.00 0.00 N ATOM 419 CA GLN A 26 -4.468 7.262 -1.612 1.00 0.00 C ATOM 420 C GLN A 26 -3.493 6.335 -0.944 1.00 0.00 C ATOM 421 O GLN A 26 -3.641 5.122 -0.974 1.00 0.00 O ATOM 422 CB GLN A 26 -3.840 7.843 -2.842 1.00 0.00 C ATOM 423 CG GLN A 26 -4.938 8.522 -3.655 1.00 0.00 C ATOM 424 CD GLN A 26 -4.367 9.532 -4.630 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.284 10.081 -4.418 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.049 9.813 -5.696 1.00 0.00 N ATOM 0 H GLN A 26 -4.512 9.254 -0.989 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.367 6.713 -1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.066 8.561 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.358 7.061 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.506 7.769 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.635 9.020 -2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.944 9.354 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.690 10.493 -6.367 1.00 0.00 H new ATOM 435 N VAL A 27 -2.525 6.951 -0.290 1.00 0.00 N ATOM 436 CA VAL A 27 -1.510 6.237 0.447 1.00 0.00 C ATOM 437 C VAL A 27 -2.194 5.357 1.481 1.00 0.00 C ATOM 438 O VAL A 27 -1.852 4.191 1.664 1.00 0.00 O ATOM 439 CB VAL A 27 -0.619 7.297 1.128 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.200 6.712 2.270 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.336 7.913 0.100 1.00 0.00 C ATOM 0 H VAL A 27 -2.424 7.966 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.903 5.601 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.283 8.058 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.811 7.496 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.470 6.299 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.846 5.922 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.962 8.660 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.967 7.132 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.241 8.385 -0.695 1.00 0.00 H new ATOM 451 N VAL A 28 -3.186 5.945 2.123 1.00 0.00 N ATOM 452 CA VAL A 28 -3.983 5.254 3.125 1.00 0.00 C ATOM 453 C VAL A 28 -4.915 4.251 2.485 1.00 0.00 C ATOM 454 O VAL A 28 -5.188 3.185 3.033 1.00 0.00 O ATOM 455 CB VAL A 28 -4.702 6.242 4.026 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.500 5.474 5.083 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.625 7.071 4.725 1.00 0.00 C ATOM 0 H VAL A 28 -3.464 6.914 1.966 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.312 4.683 3.766 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.381 6.873 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.018 6.180 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.230 4.831 4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.821 4.864 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.097 7.798 5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.982 6.413 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.027 7.594 3.979 1.00 0.00 H new ATOM 467 N ALA A 29 -5.397 4.620 1.310 1.00 0.00 N ATOM 468 CA ALA A 29 -6.295 3.792 0.542 1.00 0.00 C ATOM 469 C ALA A 29 -5.652 2.455 0.356 1.00 0.00 C ATOM 470 O ALA A 29 -6.293 1.406 0.429 1.00 0.00 O ATOM 471 CB ALA A 29 -6.478 4.419 -0.826 1.00 0.00 C ATOM 0 H ALA A 29 -5.171 5.509 0.864 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.254 3.696 1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.155 3.805 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.898 5.419 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.513 4.485 -1.328 1.00 0.00 H new ATOM 477 N PHE A 30 -4.353 2.521 0.142 1.00 0.00 N ATOM 478 CA PHE A 30 -3.578 1.359 -0.022 1.00 0.00 C ATOM 479 C PHE A 30 -3.474 0.627 1.270 1.00 0.00 C ATOM 480 O PHE A 30 -3.550 -0.594 1.266 1.00 0.00 O ATOM 481 CB PHE A 30 -2.215 1.741 -0.502 1.00 0.00 C ATOM 482 CG PHE A 30 -2.284 1.922 -1.977 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.468 0.813 -2.803 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.237 3.196 -2.510 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.580 0.991 -4.173 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.366 3.387 -3.863 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.532 2.281 -4.714 1.00 0.00 C ATOM 0 H PHE A 30 -3.827 3.393 0.081 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.054 0.707 -0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.885 2.661 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.490 0.969 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.523 -0.178 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.098 4.046 -1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.704 0.136 -4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.340 4.386 -4.273 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.622 2.426 -5.780 1.00 0.00 H new ATOM 497 N ILE A 31 -3.345 1.367 2.390 1.00 0.00 N ATOM 498 CA ILE A 31 -3.274 0.683 3.675 1.00 0.00 C ATOM 499 C ILE A 31 -4.524 -0.173 3.780 1.00 0.00 C ATOM 500 O ILE A 31 -4.503 -1.298 4.285 1.00 0.00 O ATOM 501 CB ILE A 31 -3.285 1.646 4.869 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.136 2.641 4.793 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.138 0.844 6.173 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.318 3.664 5.921 1.00 0.00 C ATOM 0 H ILE A 31 -3.291 2.385 2.424 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.343 0.118 3.711 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.229 2.191 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.180 2.127 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.128 3.140 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.146 1.527 7.023 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.967 0.142 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.197 0.294 6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.506 4.390 5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.270 4.179 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.308 3.151 6.883 1.00 0.00 H new ATOM 516 N ASN A 32 -5.617 0.405 3.274 1.00 0.00 N ATOM 517 CA ASN A 32 -6.911 -0.256 3.277 1.00 0.00 C ATOM 518 C ASN A 32 -6.920 -1.475 2.365 1.00 0.00 C ATOM 519 O ASN A 32 -7.488 -2.506 2.711 1.00 0.00 O ATOM 520 CB ASN A 32 -7.981 0.732 2.807 1.00 0.00 C ATOM 521 CG ASN A 32 -9.296 0.473 3.534 1.00 0.00 C ATOM 522 OD1 ASN A 32 -10.052 -0.419 3.155 1.00 0.00 O ATOM 523 ND2 ASN A 32 -9.613 1.204 4.567 1.00 0.00 N ATOM 0 H ASN A 32 -5.624 1.335 2.856 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.118 -0.591 4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.650 1.754 2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.127 0.636 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.489 1.036 5.061 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.985 1.944 4.880 1.00 0.00 H new ATOM 530 N SER A 33 -6.302 -1.353 1.195 1.00 0.00 N ATOM 531 CA SER A 33 -6.269 -2.454 0.256 1.00 0.00 C ATOM 532 C SER A 33 -5.509 -3.645 0.838 1.00 0.00 C ATOM 533 O SER A 33 -5.861 -4.797 0.582 1.00 0.00 O ATOM 534 CB SER A 33 -5.619 -1.994 -1.038 1.00 0.00 C ATOM 535 OG SER A 33 -6.229 -0.785 -1.472 1.00 0.00 O ATOM 0 H SER A 33 -5.823 -0.509 0.882 1.00 0.00 H new ATOM 0 HA SER A 33 -7.291 -2.776 0.054 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.551 -1.841 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.725 -2.762 -1.804 1.00 0.00 H new ATOM 0 HG SER A 33 -6.054 -0.077 -0.817 1.00 0.00 H new ATOM 541 N LEU A 34 -4.456 -3.355 1.610 1.00 0.00 N ATOM 542 CA LEU A 34 -3.641 -4.431 2.214 1.00 0.00 C ATOM 543 C LEU A 34 -4.504 -5.328 3.100 1.00 0.00 C ATOM 544 O LEU A 34 -4.434 -6.549 3.014 1.00 0.00 O ATOM 545 CB LEU A 34 -2.507 -3.885 3.106 1.00 0.00 C ATOM 546 CG LEU A 34 -1.862 -2.617 2.536 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.594 -2.276 3.322 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.498 -2.804 1.065 1.00 0.00 C ATOM 0 H LEU A 34 -4.148 -2.408 1.832 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.215 -4.984 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.903 -3.671 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.743 -4.653 3.226 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.584 -1.805 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.142 -1.374 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.849 -2.109 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.113 -3.102 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.042 -1.890 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.793 -3.630 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.399 -3.026 0.493 1.00 0.00 H new ATOM 560 N ARG A 35 -5.319 -4.707 3.950 1.00 0.00 N ATOM 561 CA ARG A 35 -6.201 -5.461 4.842 1.00 0.00 C ATOM 562 C ARG A 35 -7.343 -6.078 4.059 1.00 0.00 C ATOM 563 O ARG A 35 -7.781 -7.193 4.351 1.00 0.00 O ATOM 564 CB ARG A 35 -6.718 -4.581 5.983 1.00 0.00 C ATOM 565 CG ARG A 35 -7.481 -3.367 5.444 1.00 0.00 C ATOM 566 CD ARG A 35 -7.936 -2.482 6.606 1.00 0.00 C ATOM 567 NE ARG A 35 -8.778 -1.394 6.111 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.103 -1.466 6.168 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.756 -2.157 5.280 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.748 -0.841 7.111 1.00 0.00 N ATOM 0 H ARG A 35 -5.388 -3.693 4.041 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.624 -6.269 5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.371 -5.166 6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.881 -4.245 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.844 -2.796 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.345 -3.696 4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.489 -3.078 7.332 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.068 -2.074 7.123 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.339 -0.563 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.250 -2.644 4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.774 -2.212 5.324 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.236 -0.297 7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.766 -0.896 7.156 1.00 0.00 H new ATOM 584 N ASP A 36 -7.791 -5.359 3.033 1.00 0.00 N ATOM 585 CA ASP A 36 -8.848 -5.848 2.169 1.00 0.00 C ATOM 586 C ASP A 36 -8.329 -7.074 1.434 1.00 0.00 C ATOM 587 O ASP A 36 -9.104 -7.893 0.936 1.00 0.00 O ATOM 588 CB ASP A 36 -9.251 -4.760 1.156 1.00 0.00 C ATOM 589 CG ASP A 36 -9.895 -3.550 1.849 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.331 -3.681 2.984 1.00 0.00 O ATOM 591 OD2 ASP A 36 -9.937 -2.501 1.228 1.00 0.00 O ATOM 0 H ASP A 36 -7.435 -4.436 2.784 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.726 -6.106 2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.371 -4.436 0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.949 -5.178 0.431 1.00 0.00 H new ATOM 596 N ASP A 37 -6.994 -7.175 1.377 1.00 0.00 N ATOM 597 CA ASP A 37 -6.335 -8.286 0.700 1.00 0.00 C ATOM 598 C ASP A 37 -4.815 -8.253 0.940 1.00 0.00 C ATOM 599 O ASP A 37 -4.091 -7.525 0.253 1.00 0.00 O ATOM 600 CB ASP A 37 -6.621 -8.204 -0.805 1.00 0.00 C ATOM 601 CG ASP A 37 -6.316 -9.542 -1.485 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.260 -10.097 -1.225 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.143 -9.992 -2.261 1.00 0.00 O ATOM 0 H ASP A 37 -6.355 -6.498 1.793 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.725 -9.221 1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.665 -7.937 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.016 -7.416 -1.253 1.00 0.00 H new ATOM 608 N PRO A 38 -4.314 -9.024 1.890 1.00 0.00 N ATOM 609 CA PRO A 38 -2.853 -9.071 2.195 1.00 0.00 C ATOM 610 C PRO A 38 -2.070 -9.746 1.075 1.00 0.00 C ATOM 611 O PRO A 38 -0.913 -9.413 0.826 1.00 0.00 O ATOM 612 CB PRO A 38 -2.738 -9.870 3.497 1.00 0.00 C ATOM 613 CG PRO A 38 -4.124 -10.244 3.909 1.00 0.00 C ATOM 614 CD PRO A 38 -5.077 -9.927 2.757 1.00 0.00 C ATOM 0 HA PRO A 38 -2.435 -8.069 2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.127 -10.760 3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.253 -9.276 4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.171 -11.304 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.415 -9.693 4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.373 -10.832 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.991 -9.455 3.116 1.00 0.00 H new ATOM 622 N SER A 39 -2.721 -10.688 0.392 1.00 0.00 N ATOM 623 CA SER A 39 -2.093 -11.396 -0.717 1.00 0.00 C ATOM 624 C SER A 39 -1.769 -10.398 -1.816 1.00 0.00 C ATOM 625 O SER A 39 -0.780 -10.545 -2.537 1.00 0.00 O ATOM 626 CB SER A 39 -3.025 -12.485 -1.257 1.00 0.00 C ATOM 627 OG SER A 39 -3.530 -13.253 -0.173 1.00 0.00 O ATOM 0 H SER A 39 -3.680 -10.976 0.588 1.00 0.00 H new ATOM 0 HA SER A 39 -1.178 -11.874 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.848 -12.033 -1.812 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.486 -13.128 -1.953 1.00 0.00 H new ATOM 0 HG SER A 39 -4.128 -13.949 -0.516 1.00 0.00 H new ATOM 633 N GLN A 40 -2.619 -9.374 -1.919 1.00 0.00 N ATOM 634 CA GLN A 40 -2.438 -8.334 -2.912 1.00 0.00 C ATOM 635 C GLN A 40 -1.598 -7.188 -2.361 1.00 0.00 C ATOM 636 O GLN A 40 -1.374 -6.204 -3.053 1.00 0.00 O ATOM 637 CB GLN A 40 -3.795 -7.803 -3.385 1.00 0.00 C ATOM 638 CG GLN A 40 -4.503 -8.877 -4.220 1.00 0.00 C ATOM 639 CD GLN A 40 -5.864 -8.374 -4.694 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.552 -7.645 -3.977 1.00 0.00 O ATOM 641 NE2 GLN A 40 -6.292 -8.719 -5.873 1.00 0.00 N ATOM 0 H GLN A 40 -3.437 -9.250 -1.323 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.910 -8.772 -3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.410 -7.531 -2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.657 -6.899 -3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.887 -9.143 -5.079 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.630 -9.783 -3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.722 -9.322 -6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.197 -8.386 -6.204 1.00 0.00 H new ATOM 650 N SER A 41 -1.098 -7.328 -1.127 1.00 0.00 N ATOM 651 CA SER A 41 -0.256 -6.288 -0.534 1.00 0.00 C ATOM 652 C SER A 41 0.887 -6.003 -1.495 1.00 0.00 C ATOM 653 O SER A 41 1.342 -4.879 -1.615 1.00 0.00 O ATOM 654 CB SER A 41 0.291 -6.747 0.827 1.00 0.00 C ATOM 655 OG SER A 41 1.243 -7.783 0.623 1.00 0.00 O ATOM 0 H SER A 41 -1.260 -8.139 -0.530 1.00 0.00 H new ATOM 0 HA SER A 41 -0.842 -5.384 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.754 -5.909 1.348 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.523 -7.104 1.458 1.00 0.00 H new ATOM 0 HG SER A 41 0.787 -8.650 0.617 1.00 0.00 H new ATOM 661 N ALA A 42 1.301 -7.064 -2.184 1.00 0.00 N ATOM 662 CA ALA A 42 2.365 -7.022 -3.178 1.00 0.00 C ATOM 663 C ALA A 42 1.932 -6.274 -4.436 1.00 0.00 C ATOM 664 O ALA A 42 2.699 -5.533 -5.050 1.00 0.00 O ATOM 665 CB ALA A 42 2.684 -8.450 -3.593 1.00 0.00 C ATOM 0 H ALA A 42 0.897 -7.993 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 42 3.222 -6.513 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.479 -8.443 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.008 -9.018 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.793 -8.913 -4.017 1.00 0.00 H new ATOM 671 N ASN A 43 0.698 -6.518 -4.821 1.00 0.00 N ATOM 672 CA ASN A 43 0.105 -5.917 -5.996 1.00 0.00 C ATOM 673 C ASN A 43 -0.202 -4.460 -5.768 1.00 0.00 C ATOM 674 O ASN A 43 -0.194 -3.642 -6.681 1.00 0.00 O ATOM 675 CB ASN A 43 -1.206 -6.615 -6.237 1.00 0.00 C ATOM 676 CG ASN A 43 -0.985 -8.003 -6.830 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.330 -9.007 -6.209 1.00 0.00 O ATOM 678 ND2 ASN A 43 -0.426 -8.121 -8.003 1.00 0.00 N ATOM 0 H ASN A 43 0.070 -7.147 -4.320 1.00 0.00 H new ATOM 0 HA ASN A 43 0.798 -6.009 -6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.755 -6.699 -5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.820 -6.020 -6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.275 -9.046 -8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.140 -7.288 -8.518 1.00 0.00 H new ATOM 685 N LEU A 44 -0.580 -4.193 -4.543 1.00 0.00 N ATOM 686 CA LEU A 44 -1.017 -2.881 -4.144 1.00 0.00 C ATOM 687 C LEU A 44 0.063 -1.843 -4.223 1.00 0.00 C ATOM 688 O LEU A 44 -0.201 -0.760 -4.719 1.00 0.00 O ATOM 689 CB LEU A 44 -1.633 -2.986 -2.768 1.00 0.00 C ATOM 690 CG LEU A 44 -2.935 -3.776 -2.936 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.415 -4.351 -1.607 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.987 -2.856 -3.535 1.00 0.00 C ATOM 0 H LEU A 44 -0.593 -4.883 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.768 -2.529 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.958 -3.492 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.829 -1.997 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.757 -4.620 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.341 -4.905 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.655 -5.021 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.593 -3.539 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.921 -3.404 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.151 -2.009 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.645 -2.495 -4.505 1.00 0.00 H new ATOM 704 N LEU A 45 1.287 -2.158 -3.817 1.00 0.00 N ATOM 705 CA LEU A 45 2.340 -1.147 -3.990 1.00 0.00 C ATOM 706 C LEU A 45 2.558 -1.032 -5.474 1.00 0.00 C ATOM 707 O LEU A 45 2.883 0.012 -5.976 1.00 0.00 O ATOM 708 CB LEU A 45 3.722 -1.366 -3.315 1.00 0.00 C ATOM 709 CG LEU A 45 3.792 -2.572 -2.403 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.727 -2.482 -1.317 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.652 -3.822 -3.256 1.00 0.00 C ATOM 0 H LEU A 45 1.571 -3.041 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 45 1.965 -0.261 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.479 -1.470 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.976 -0.476 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 45 4.751 -2.610 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.792 -3.357 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.886 -1.581 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.740 -2.444 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.700 -4.705 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.695 -3.802 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.461 -3.857 -3.986 1.00 0.00 H new ATOM 723 N ALA A 46 2.360 -2.148 -6.167 1.00 0.00 N ATOM 724 CA ALA A 46 2.514 -2.176 -7.613 1.00 0.00 C ATOM 725 C ALA A 46 1.525 -1.196 -8.209 1.00 0.00 C ATOM 726 O ALA A 46 1.856 -0.398 -9.085 1.00 0.00 O ATOM 727 CB ALA A 46 2.200 -3.572 -8.135 1.00 0.00 C ATOM 0 H ALA A 46 2.094 -3.040 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 46 3.535 -1.911 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.316 -3.590 -9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.884 -4.291 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.175 -3.835 -7.876 1.00 0.00 H new ATOM 733 N GLU A 47 0.315 -1.251 -7.661 1.00 0.00 N ATOM 734 CA GLU A 47 -0.760 -0.373 -8.045 1.00 0.00 C ATOM 735 C GLU A 47 -0.404 1.034 -7.623 1.00 0.00 C ATOM 736 O GLU A 47 -0.469 1.977 -8.393 1.00 0.00 O ATOM 737 CB GLU A 47 -2.003 -0.817 -7.280 1.00 0.00 C ATOM 738 CG GLU A 47 -2.868 -1.741 -8.137 1.00 0.00 C ATOM 739 CD GLU A 47 -3.679 -2.677 -7.240 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.144 -3.705 -6.850 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.819 -2.352 -6.951 1.00 0.00 O ATOM 0 H GLU A 47 0.061 -1.917 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.932 -0.404 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.708 -1.332 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.582 0.056 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.539 -1.150 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.238 -2.323 -8.809 1.00 0.00 H new ATOM 748 N ALA A 48 -0.017 1.119 -6.366 1.00 0.00 N ATOM 749 CA ALA A 48 0.370 2.364 -5.730 1.00 0.00 C ATOM 750 C ALA A 48 1.518 3.016 -6.467 1.00 0.00 C ATOM 751 O ALA A 48 1.473 4.198 -6.772 1.00 0.00 O ATOM 752 CB ALA A 48 0.778 2.079 -4.298 1.00 0.00 C ATOM 0 H ALA A 48 0.039 0.311 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.478 3.049 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.071 3.009 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.062 1.637 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.619 1.385 -4.290 1.00 0.00 H new ATOM 758 N LYS A 49 2.527 2.224 -6.779 1.00 0.00 N ATOM 759 CA LYS A 49 3.666 2.720 -7.530 1.00 0.00 C ATOM 760 C LYS A 49 3.154 3.213 -8.876 1.00 0.00 C ATOM 761 O LYS A 49 3.621 4.224 -9.395 1.00 0.00 O ATOM 762 CB LYS A 49 4.719 1.614 -7.707 1.00 0.00 C ATOM 763 CG LYS A 49 5.443 1.371 -6.369 1.00 0.00 C ATOM 764 CD LYS A 49 6.379 0.158 -6.488 1.00 0.00 C ATOM 765 CE LYS A 49 6.917 -0.220 -5.101 1.00 0.00 C ATOM 766 NZ LYS A 49 7.824 -1.397 -5.220 1.00 0.00 N ATOM 0 H LYS A 49 2.582 1.238 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 49 4.150 3.538 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.242 0.695 -8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.438 1.902 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.015 2.256 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.713 1.201 -5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.843 -0.686 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.206 0.390 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.454 0.623 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.090 -0.452 -4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.773 -1.964 -4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.532 -1.980 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.801 -1.070 -5.363 1.00 0.00 H new ATOM 780 N LYS A 50 2.137 2.512 -9.403 1.00 0.00 N ATOM 781 CA LYS A 50 1.516 2.910 -10.658 1.00 0.00 C ATOM 782 C LYS A 50 0.728 4.196 -10.440 1.00 0.00 C ATOM 783 O LYS A 50 0.733 5.078 -11.281 1.00 0.00 O ATOM 784 CB LYS A 50 0.580 1.802 -11.176 1.00 0.00 C ATOM 785 CG LYS A 50 1.125 1.219 -12.489 1.00 0.00 C ATOM 786 CD LYS A 50 2.238 0.199 -12.194 1.00 0.00 C ATOM 787 CE LYS A 50 1.632 -1.194 -11.977 1.00 0.00 C ATOM 788 NZ LYS A 50 1.277 -1.793 -13.295 1.00 0.00 N ATOM 0 H LYS A 50 1.737 1.676 -8.978 1.00 0.00 H new ATOM 0 HA LYS A 50 2.294 3.076 -11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.490 1.013 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.420 2.206 -11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.319 0.739 -13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.513 2.020 -13.118 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.946 0.171 -13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.796 0.504 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.343 -1.834 -11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.745 -1.122 -11.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.109 -2.813 -13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.416 -1.340 -13.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.058 -1.645 -13.965 1.00 0.00 H new ATOM 802 N LEU A 51 0.068 4.278 -9.282 1.00 0.00 N ATOM 803 CA LEU A 51 -0.732 5.441 -8.903 1.00 0.00 C ATOM 804 C LEU A 51 0.167 6.644 -8.694 1.00 0.00 C ATOM 805 O LEU A 51 -0.126 7.757 -9.126 1.00 0.00 O ATOM 806 CB LEU A 51 -1.409 5.170 -7.559 1.00 0.00 C ATOM 807 CG LEU A 51 -2.822 4.585 -7.679 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.806 5.691 -8.092 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.854 3.391 -8.657 1.00 0.00 C ATOM 0 H LEU A 51 0.075 3.537 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.459 5.628 -9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.790 4.482 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.459 6.101 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.129 4.199 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.809 5.273 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.804 6.479 -7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.504 6.106 -9.053 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.869 2.999 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.531 3.721 -9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.185 2.609 -8.298 1.00 0.00 H new ATOM 821 N ASN A 52 1.260 6.378 -7.995 1.00 0.00 N ATOM 822 CA ASN A 52 2.243 7.378 -7.657 1.00 0.00 C ATOM 823 C ASN A 52 2.818 7.958 -8.929 1.00 0.00 C ATOM 824 O ASN A 52 2.897 9.176 -9.105 1.00 0.00 O ATOM 825 CB ASN A 52 3.341 6.690 -6.826 1.00 0.00 C ATOM 826 CG ASN A 52 4.371 7.684 -6.315 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.122 8.399 -5.349 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.533 7.757 -6.903 1.00 0.00 N ATOM 0 H ASN A 52 1.486 5.447 -7.645 1.00 0.00 H new ATOM 0 HA ASN A 52 1.800 8.191 -7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.886 6.172 -5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.837 5.934 -7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.238 8.410 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.737 7.161 -7.706 1.00 0.00 H new ATOM 835 N ASP A 53 3.192 7.053 -9.812 1.00 0.00 N ATOM 836 CA ASP A 53 3.747 7.409 -11.091 1.00 0.00 C ATOM 837 C ASP A 53 2.689 7.994 -12.028 1.00 0.00 C ATOM 838 O ASP A 53 2.981 8.886 -12.828 1.00 0.00 O ATOM 839 CB ASP A 53 4.369 6.163 -11.732 1.00 0.00 C ATOM 840 CG ASP A 53 5.548 5.628 -10.898 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.038 6.345 -10.034 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.940 4.498 -11.136 1.00 0.00 O ATOM 0 H ASP A 53 3.117 6.048 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 53 4.506 8.175 -10.931 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.610 5.387 -11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.713 6.403 -12.738 1.00 0.00 H new ATOM 847 N ALA A 54 1.478 7.437 -11.957 1.00 0.00 N ATOM 848 CA ALA A 54 0.387 7.852 -12.843 1.00 0.00 C ATOM 849 C ALA A 54 -0.201 9.205 -12.502 1.00 0.00 C ATOM 850 O ALA A 54 -0.549 9.974 -13.402 1.00 0.00 O ATOM 851 CB ALA A 54 -0.741 6.845 -12.735 1.00 0.00 C ATOM 0 H ALA A 54 1.228 6.700 -11.298 1.00 0.00 H new ATOM 0 HA ALA A 54 0.817 7.912 -13.843 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.559 7.144 -13.390 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.379 5.860 -13.031 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.097 6.806 -11.705 1.00 0.00 H new ATOM 857 N GLN A 55 -0.351 9.483 -11.215 1.00 0.00 N ATOM 858 CA GLN A 55 -0.946 10.734 -10.804 1.00 0.00 C ATOM 859 C GLN A 55 0.082 11.826 -10.754 1.00 0.00 C ATOM 860 O GLN A 55 -0.158 12.946 -11.211 1.00 0.00 O ATOM 861 CB GLN A 55 -1.524 10.565 -9.417 1.00 0.00 C ATOM 862 CG GLN A 55 -2.680 9.571 -9.434 1.00 0.00 C ATOM 863 CD GLN A 55 -3.154 9.352 -8.010 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.062 8.562 -7.775 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.596 10.026 -7.039 1.00 0.00 N ATOM 0 H GLN A 55 -0.072 8.866 -10.452 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.718 11.004 -11.524 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.749 10.218 -8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.871 11.528 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.496 9.950 -10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.360 8.627 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.841 10.682 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.915 9.896 -6.079 1.00 0.00 H new ATOM 874 N ALA A 56 1.213 11.481 -10.151 1.00 0.00 N ATOM 875 CA ALA A 56 2.306 12.431 -9.961 1.00 0.00 C ATOM 876 C ALA A 56 1.742 13.813 -9.564 1.00 0.00 C ATOM 877 O ALA A 56 2.089 14.826 -10.171 1.00 0.00 O ATOM 878 CB ALA A 56 3.136 12.529 -11.245 1.00 0.00 C ATOM 0 H ALA A 56 1.399 10.548 -9.784 1.00 0.00 H new ATOM 0 HA ALA A 56 2.953 12.082 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.950 13.239 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.548 11.549 -11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.501 12.869 -12.063 1.00 0.00 H new ATOM 884 N PRO A 57 0.853 13.855 -8.569 1.00 0.00 N ATOM 885 CA PRO A 57 0.183 15.092 -8.064 1.00 0.00 C ATOM 886 C PRO A 57 1.046 16.350 -8.175 1.00 0.00 C ATOM 887 O PRO A 57 2.029 16.512 -7.446 1.00 0.00 O ATOM 888 CB PRO A 57 -0.134 14.748 -6.590 1.00 0.00 C ATOM 889 CG PRO A 57 0.365 13.351 -6.397 1.00 0.00 C ATOM 890 CD PRO A 57 0.358 12.738 -7.781 1.00 0.00 C ATOM 0 HA PRO A 57 -0.698 15.340 -8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.361 15.440 -5.909 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.204 14.815 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.367 13.346 -5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.277 12.793 -5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.005 11.863 -7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.639 12.423 -8.090 1.00 0.00 H new ATOM 898 N LYS A 58 0.661 17.225 -9.099 1.00 0.00 N ATOM 899 CA LYS A 58 1.377 18.480 -9.336 1.00 0.00 C ATOM 900 C LYS A 58 0.453 19.677 -9.100 1.00 0.00 C ATOM 901 O LYS A 58 -0.680 19.630 -9.555 1.00 0.00 O ATOM 902 CB LYS A 58 1.896 18.505 -10.778 1.00 0.00 C ATOM 903 CG LYS A 58 3.206 17.706 -10.878 1.00 0.00 C ATOM 904 CD LYS A 58 3.336 17.068 -12.272 1.00 0.00 C ATOM 905 CE LYS A 58 3.237 18.141 -13.365 1.00 0.00 C ATOM 906 NZ LYS A 58 4.249 19.208 -13.116 1.00 0.00 N ATOM 907 OXT LYS A 58 0.892 20.625 -8.470 1.00 0.00 O ATOM 0 H LYS A 58 -0.150 17.088 -9.702 1.00 0.00 H new ATOM 0 HA LYS A 58 2.215 18.545 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.149 18.081 -11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.063 19.534 -11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.056 18.362 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.227 16.931 -10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.289 16.546 -12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.552 16.324 -12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.401 17.692 -14.345 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.236 18.572 -13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.370 19.779 -13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.926 19.818 -12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.157 18.772 -12.859 1.00 0.00 H new TER 921 LYS A 58