USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 566 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 Single : A 1 ALA N :NH3+ 132:sc= 0.0365 (180deg=0) USER MOD Single : A 4 MET CE :methyl -134:sc= -0.993 (180deg=-1.98!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 14 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.5) USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= -0.126 (180deg=-0.591) USER MOD Single : A 20 SER OG : rot -42:sc= 0.768 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 46:sc= -1.16 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 70:sc= -0.288 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -140:sc= 0.0466 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 172:sc= 0 (180deg=-0.0362) USER MOD Single : A 48 THR OG1 : rot 110:sc= -0.293 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -37:sc= 0.851 USER MOD Single : A 64 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 66 ASN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 70 MET CE :methyl 180:sc= -4.47! (180deg=-4.47!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.039 4.813 -2.997 1.00 0.00 N ATOM 2 CA ALA A 1 7.463 3.548 -2.556 1.00 0.00 C ATOM 3 C ALA A 1 8.406 2.385 -2.844 1.00 0.00 C ATOM 4 O ALA A 1 9.139 2.399 -3.833 1.00 0.00 O ATOM 5 CB ALA A 1 6.118 3.319 -3.227 1.00 0.00 C ATOM 0 H1 ALA A 1 7.333 5.343 -3.547 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.323 5.373 -2.168 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.872 4.627 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 1 7.314 3.601 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.699 2.371 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.438 4.130 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.251 3.292 -4.309 1.00 0.00 H new ATOM 11 N ASP A 2 8.383 1.381 -1.975 1.00 0.00 N ATOM 12 CA ASP A 2 9.236 0.209 -2.137 1.00 0.00 C ATOM 13 C ASP A 2 9.034 -0.424 -3.510 1.00 0.00 C ATOM 14 O ASP A 2 9.877 -0.287 -4.397 1.00 0.00 O ATOM 15 CB ASP A 2 8.943 -0.816 -1.040 1.00 0.00 C ATOM 16 CG ASP A 2 9.941 -0.747 0.099 1.00 0.00 C ATOM 17 OD1 ASP A 2 10.607 0.300 0.242 1.00 0.00 O ATOM 18 OD2 ASP A 2 10.056 -1.740 0.847 1.00 0.00 O ATOM 0 H ASP A 2 7.783 1.355 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 2 10.274 0.531 -2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.939 -0.649 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.956 -1.818 -1.470 1.00 0.00 H new ATOM 23 N ASP A 3 7.914 -1.118 -3.677 1.00 0.00 N ATOM 24 CA ASP A 3 7.602 -1.772 -4.942 1.00 0.00 C ATOM 25 C ASP A 3 8.535 -2.954 -5.188 1.00 0.00 C ATOM 26 O ASP A 3 8.542 -3.537 -6.271 1.00 0.00 O ATOM 27 CB ASP A 3 7.707 -0.775 -6.097 1.00 0.00 C ATOM 28 CG ASP A 3 6.370 -0.522 -6.766 1.00 0.00 C ATOM 29 OD1 ASP A 3 5.647 0.394 -6.320 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.048 -1.238 -7.736 1.00 0.00 O ATOM 0 H ASP A 3 7.207 -1.242 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 3 6.579 -2.145 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.108 0.168 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.414 -1.152 -6.836 1.00 0.00 H new ATOM 35 N MET A 4 9.323 -3.300 -4.174 1.00 0.00 N ATOM 36 CA MET A 4 10.260 -4.411 -4.281 1.00 0.00 C ATOM 37 C MET A 4 10.001 -5.448 -3.192 1.00 0.00 C ATOM 38 O MET A 4 10.408 -6.602 -3.312 1.00 0.00 O ATOM 39 CB MET A 4 11.700 -3.903 -4.185 1.00 0.00 C ATOM 40 CG MET A 4 12.082 -3.418 -2.796 1.00 0.00 C ATOM 41 SD MET A 4 12.012 -1.623 -2.643 1.00 0.00 S ATOM 42 CE MET A 4 13.132 -1.128 -3.951 1.00 0.00 C ATOM 0 H MET A 4 9.330 -2.827 -3.270 1.00 0.00 H new ATOM 0 HA MET A 4 10.113 -4.885 -5.252 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.379 -4.702 -4.481 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.837 -3.088 -4.896 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.413 -3.868 -2.062 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.090 -3.760 -2.561 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.810 -0.360 -3.578 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.708 -1.992 -4.283 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.560 -0.730 -4.789 1.00 0.00 H new ATOM 52 N GLU A 5 9.321 -5.026 -2.130 1.00 0.00 N ATOM 53 CA GLU A 5 9.010 -5.919 -1.020 1.00 0.00 C ATOM 54 C GLU A 5 7.870 -6.865 -1.386 1.00 0.00 C ATOM 55 O GLU A 5 7.795 -7.987 -0.884 1.00 0.00 O ATOM 56 CB GLU A 5 8.636 -5.110 0.225 1.00 0.00 C ATOM 57 CG GLU A 5 7.242 -4.510 0.165 1.00 0.00 C ATOM 58 CD GLU A 5 6.982 -3.525 1.288 1.00 0.00 C ATOM 59 OE1 GLU A 5 6.804 -3.972 2.441 1.00 0.00 O ATOM 60 OE2 GLU A 5 6.957 -2.307 1.014 1.00 0.00 O ATOM 0 H GLU A 5 8.976 -4.073 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 5 9.898 -6.513 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.708 -5.754 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.362 -4.308 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.108 -4.007 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.504 -5.311 0.211 1.00 0.00 H new ATOM 67 N ARG A 6 6.984 -6.403 -2.262 1.00 0.00 N ATOM 68 CA ARG A 6 5.846 -7.206 -2.694 1.00 0.00 C ATOM 69 C ARG A 6 6.304 -8.373 -3.564 1.00 0.00 C ATOM 70 O ARG A 6 5.611 -9.385 -3.678 1.00 0.00 O ATOM 71 CB ARG A 6 4.848 -6.342 -3.467 1.00 0.00 C ATOM 72 CG ARG A 6 3.515 -7.027 -3.718 1.00 0.00 C ATOM 73 CD ARG A 6 2.655 -7.048 -2.464 1.00 0.00 C ATOM 74 NE ARG A 6 2.175 -5.715 -2.107 1.00 0.00 N ATOM 75 CZ ARG A 6 1.696 -5.404 -0.908 1.00 0.00 C ATOM 76 NH1 ARG A 6 1.633 -6.324 0.044 1.00 0.00 N ATOM 77 NH2 ARG A 6 1.278 -4.169 -0.660 1.00 0.00 N ATOM 0 H ARG A 6 7.032 -5.477 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 6 5.358 -7.606 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.674 -5.419 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.288 -6.061 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.983 -6.510 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.688 -8.048 -4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.803 -7.710 -2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.232 -7.460 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 6 2.210 -4.984 -2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.953 -7.274 -0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.265 -6.082 0.964 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.325 -3.459 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.910 -3.930 0.261 1.00 0.00 H new ATOM 91 N ILE A 7 7.475 -8.225 -4.176 1.00 0.00 N ATOM 92 CA ILE A 7 8.025 -9.267 -5.034 1.00 0.00 C ATOM 93 C ILE A 7 8.934 -10.205 -4.247 1.00 0.00 C ATOM 94 O ILE A 7 8.813 -11.426 -4.338 1.00 0.00 O ATOM 95 CB ILE A 7 8.819 -8.667 -6.209 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.273 -7.283 -6.568 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.762 -9.594 -7.415 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.913 -6.682 -7.800 1.00 0.00 C ATOM 0 H ILE A 7 8.060 -7.394 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 7 7.179 -9.831 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 7 9.861 -8.559 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.197 -7.356 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.426 -6.611 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.328 -9.156 -8.237 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.193 -10.560 -7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.725 -9.730 -7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.478 -5.702 -7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.986 -6.577 -7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.737 -7.334 -8.656 1.00 0.00 H new ATOM 110 N PHE A 8 9.845 -9.625 -3.472 1.00 0.00 N ATOM 111 CA PHE A 8 10.775 -10.408 -2.668 1.00 0.00 C ATOM 112 C PHE A 8 10.032 -11.453 -1.840 1.00 0.00 C ATOM 113 O PHE A 8 10.364 -12.638 -1.872 1.00 0.00 O ATOM 114 CB PHE A 8 11.583 -9.491 -1.747 1.00 0.00 C ATOM 115 CG PHE A 8 12.168 -10.200 -0.559 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.411 -10.807 -0.641 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.475 -10.260 0.639 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.953 -11.460 0.450 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.012 -10.911 1.734 1.00 0.00 C ATOM 120 CZ PHE A 8 13.252 -11.513 1.639 1.00 0.00 C ATOM 0 H PHE A 8 9.959 -8.615 -3.384 1.00 0.00 H new ATOM 0 HA PHE A 8 11.456 -10.924 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.389 -9.033 -2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.941 -8.683 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.963 -10.769 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.504 -9.793 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.923 -11.928 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.463 -10.949 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.672 -12.024 2.493 1.00 0.00 H new ATOM 130 N LYS A 9 9.025 -11.004 -1.099 1.00 0.00 N ATOM 131 CA LYS A 9 8.233 -11.898 -0.263 1.00 0.00 C ATOM 132 C LYS A 9 7.630 -13.028 -1.092 1.00 0.00 C ATOM 133 O LYS A 9 7.371 -14.117 -0.579 1.00 0.00 O ATOM 134 CB LYS A 9 7.120 -11.118 0.441 1.00 0.00 C ATOM 135 CG LYS A 9 7.593 -10.357 1.668 1.00 0.00 C ATOM 136 CD LYS A 9 6.424 -9.794 2.459 1.00 0.00 C ATOM 137 CE LYS A 9 6.108 -8.364 2.046 1.00 0.00 C ATOM 138 NZ LYS A 9 5.119 -7.729 2.960 1.00 0.00 N ATOM 0 H LYS A 9 8.738 -10.026 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 9 8.894 -12.334 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.678 -10.414 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.332 -11.811 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.179 -11.020 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.252 -9.544 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.545 -10.420 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.656 -9.823 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.026 -7.776 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.718 -8.358 1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.930 -6.756 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.234 -8.275 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.501 -7.712 3.927 1.00 0.00 H new ATOM 152 N ARG A 10 7.411 -12.761 -2.375 1.00 0.00 N ATOM 153 CA ARG A 10 6.839 -13.756 -3.275 1.00 0.00 C ATOM 154 C ARG A 10 7.871 -14.821 -3.634 1.00 0.00 C ATOM 155 O ARG A 10 7.585 -16.017 -3.590 1.00 0.00 O ATOM 156 CB ARG A 10 6.319 -13.085 -4.547 1.00 0.00 C ATOM 157 CG ARG A 10 4.810 -13.171 -4.708 1.00 0.00 C ATOM 158 CD ARG A 10 4.087 -12.619 -3.489 1.00 0.00 C ATOM 159 NE ARG A 10 3.554 -13.682 -2.641 1.00 0.00 N ATOM 160 CZ ARG A 10 3.105 -13.482 -1.407 1.00 0.00 C ATOM 161 NH1 ARG A 10 3.125 -12.266 -0.880 1.00 0.00 N ATOM 162 NH2 ARG A 10 2.634 -14.501 -0.698 1.00 0.00 N ATOM 0 H ARG A 10 7.621 -11.865 -2.815 1.00 0.00 H new ATOM 0 HA ARG A 10 6.008 -14.239 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.616 -12.036 -4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.795 -13.547 -5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.505 -12.616 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.518 -14.209 -4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.773 -12.002 -2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.273 -11.971 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 10 3.525 -14.630 -3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.486 -11.481 -1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.780 -12.115 0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.617 -15.438 -1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.289 -14.347 0.250 1.00 0.00 H new ATOM 176 N PHE A 11 9.072 -14.377 -3.991 1.00 0.00 N ATOM 177 CA PHE A 11 10.146 -15.291 -4.359 1.00 0.00 C ATOM 178 C PHE A 11 10.696 -16.009 -3.130 1.00 0.00 C ATOM 179 O PHE A 11 11.177 -17.139 -3.221 1.00 0.00 O ATOM 180 CB PHE A 11 11.271 -14.532 -5.066 1.00 0.00 C ATOM 181 CG PHE A 11 10.891 -14.029 -6.429 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.470 -14.908 -7.414 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.954 -12.677 -6.725 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.121 -14.448 -8.669 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.605 -12.211 -7.979 1.00 0.00 C ATOM 186 CZ PHE A 11 10.187 -13.097 -8.952 1.00 0.00 C ATOM 0 H PHE A 11 9.325 -13.390 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 11 9.736 -16.037 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.573 -13.687 -4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.138 -15.186 -5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.414 -15.965 -7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.279 -11.979 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.797 -15.144 -9.429 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.659 -11.155 -8.197 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.912 -12.735 -9.932 1.00 0.00 H new ATOM 196 N ASP A 12 10.621 -15.345 -1.982 1.00 0.00 N ATOM 197 CA ASP A 12 11.110 -15.918 -0.734 1.00 0.00 C ATOM 198 C ASP A 12 10.083 -16.875 -0.136 1.00 0.00 C ATOM 199 O ASP A 12 9.638 -16.697 0.998 1.00 0.00 O ATOM 200 CB ASP A 12 11.435 -14.809 0.269 1.00 0.00 C ATOM 201 CG ASP A 12 12.319 -15.294 1.401 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.820 -16.435 1.317 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.510 -14.532 2.372 1.00 0.00 O ATOM 0 H ASP A 12 10.226 -14.409 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 12 12.019 -16.478 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.931 -13.988 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.507 -14.412 0.681 1.00 0.00 H new ATOM 208 N THR A 13 9.711 -17.892 -0.908 1.00 0.00 N ATOM 209 CA THR A 13 8.735 -18.876 -0.457 1.00 0.00 C ATOM 210 C THR A 13 9.422 -20.142 0.042 1.00 0.00 C ATOM 211 O THR A 13 8.762 -21.111 0.416 1.00 0.00 O ATOM 212 CB THR A 13 7.751 -19.248 -1.582 1.00 0.00 C ATOM 213 OG1 THR A 13 8.437 -19.292 -2.838 1.00 0.00 O ATOM 214 CG2 THR A 13 6.610 -18.246 -1.656 1.00 0.00 C ATOM 0 H THR A 13 10.071 -18.055 -1.848 1.00 0.00 H new ATOM 0 HA THR A 13 8.181 -18.419 0.363 1.00 0.00 H new ATOM 0 HB THR A 13 7.336 -20.231 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.805 -19.531 -3.548 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.928 -18.530 -2.458 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.072 -18.237 -0.708 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.011 -17.252 -1.855 1.00 0.00 H new ATOM 222 N ASN A 14 10.751 -20.127 0.046 1.00 0.00 N ATOM 223 CA ASN A 14 11.527 -21.275 0.499 1.00 0.00 C ATOM 224 C ASN A 14 11.548 -21.350 2.023 1.00 0.00 C ATOM 225 O ASN A 14 10.987 -22.270 2.617 1.00 0.00 O ATOM 226 CB ASN A 14 12.958 -21.194 -0.039 1.00 0.00 C ATOM 227 CG ASN A 14 13.614 -22.558 -0.142 1.00 0.00 C ATOM 228 OD1 ASN A 14 13.118 -23.541 0.408 1.00 0.00 O ATOM 229 ND2 ASN A 14 14.736 -22.621 -0.850 1.00 0.00 N ATOM 0 H ASN A 14 11.313 -19.332 -0.259 1.00 0.00 H new ATOM 0 HA ASN A 14 11.052 -22.178 0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.948 -20.723 -1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.553 -20.556 0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.223 -23.511 -0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.110 -21.780 -1.288 1.00 0.00 H new ATOM 236 N GLY A 15 12.200 -20.375 2.649 1.00 0.00 N ATOM 237 CA GLY A 15 12.282 -20.349 4.098 1.00 0.00 C ATOM 238 C GLY A 15 13.648 -19.919 4.594 1.00 0.00 C ATOM 239 O GLY A 15 13.770 -19.338 5.672 1.00 0.00 O ATOM 0 H GLY A 15 12.673 -19.603 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.526 -19.668 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.052 -21.340 4.490 1.00 0.00 H new ATOM 243 N ASP A 16 14.678 -20.206 3.806 1.00 0.00 N ATOM 244 CA ASP A 16 16.043 -19.846 4.171 1.00 0.00 C ATOM 245 C ASP A 16 16.189 -18.333 4.307 1.00 0.00 C ATOM 246 O ASP A 16 16.788 -17.840 5.261 1.00 0.00 O ATOM 247 CB ASP A 16 17.030 -20.374 3.128 1.00 0.00 C ATOM 248 CG ASP A 16 16.555 -20.134 1.709 1.00 0.00 C ATOM 249 OD1 ASP A 16 15.741 -20.940 1.211 1.00 0.00 O ATOM 250 OD2 ASP A 16 16.996 -19.140 1.096 1.00 0.00 O ATOM 0 H ASP A 16 14.594 -20.687 2.910 1.00 0.00 H new ATOM 0 HA ASP A 16 16.266 -20.303 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.997 -19.892 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 16 17.180 -21.443 3.282 1.00 0.00 H new ATOM 255 N GLY A 17 15.636 -17.602 3.343 1.00 0.00 N ATOM 256 CA GLY A 17 15.716 -16.153 3.373 1.00 0.00 C ATOM 257 C GLY A 17 16.420 -15.587 2.156 1.00 0.00 C ATOM 258 O GLY A 17 16.918 -14.461 2.186 1.00 0.00 O ATOM 0 H GLY A 17 15.135 -17.987 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.710 -15.738 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.245 -15.840 4.273 1.00 0.00 H new ATOM 262 N LYS A 18 16.464 -16.368 1.083 1.00 0.00 N ATOM 263 CA LYS A 18 17.113 -15.939 -0.151 1.00 0.00 C ATOM 264 C LYS A 18 16.250 -16.273 -1.364 1.00 0.00 C ATOM 265 O LYS A 18 15.514 -17.260 -1.360 1.00 0.00 O ATOM 266 CB LYS A 18 18.484 -16.604 -0.288 1.00 0.00 C ATOM 267 CG LYS A 18 19.339 -16.498 0.963 1.00 0.00 C ATOM 268 CD LYS A 18 20.546 -17.419 0.893 1.00 0.00 C ATOM 269 CE LYS A 18 21.322 -17.421 2.201 1.00 0.00 C ATOM 270 NZ LYS A 18 20.446 -17.726 3.365 1.00 0.00 N ATOM 0 H LYS A 18 16.058 -17.303 1.042 1.00 0.00 H new ATOM 0 HA LYS A 18 17.244 -14.858 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.345 -17.657 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 18 19.018 -16.149 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.673 -15.468 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.739 -16.749 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.219 -18.433 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.200 -17.102 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.123 -18.158 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.793 -16.448 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 20.974 -18.295 4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 20.138 -16.838 3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 19.613 -18.259 3.042 1.00 0.00 H new ATOM 284 N ILE A 19 16.348 -15.446 -2.399 1.00 0.00 N ATOM 285 CA ILE A 19 15.579 -15.656 -3.619 1.00 0.00 C ATOM 286 C ILE A 19 16.497 -15.875 -4.817 1.00 0.00 C ATOM 287 O ILE A 19 17.460 -15.135 -5.018 1.00 0.00 O ATOM 288 CB ILE A 19 14.649 -14.464 -3.911 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.466 -13.183 -4.088 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.632 -14.299 -2.791 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.619 -11.955 -4.337 1.00 0.00 C ATOM 0 H ILE A 19 16.952 -14.624 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 19 14.974 -16.548 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 19 14.111 -14.661 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.071 -13.022 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.156 -13.314 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.982 -13.452 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.032 -15.205 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.153 -14.121 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.265 -11.085 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.033 -12.095 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.948 -11.799 -3.493 1.00 0.00 H new ATOM 303 N SER A 20 16.191 -16.895 -5.612 1.00 0.00 N ATOM 304 CA SER A 20 16.989 -17.213 -6.790 1.00 0.00 C ATOM 305 C SER A 20 16.867 -16.115 -7.842 1.00 0.00 C ATOM 306 O SER A 20 15.867 -16.032 -8.557 1.00 0.00 O ATOM 307 CB SER A 20 16.551 -18.554 -7.383 1.00 0.00 C ATOM 308 OG SER A 20 15.992 -19.393 -6.387 1.00 0.00 O ATOM 0 H SER A 20 15.396 -17.516 -5.462 1.00 0.00 H new ATOM 0 HA SER A 20 18.032 -17.283 -6.483 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.819 -18.384 -8.173 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.407 -19.049 -7.842 1.00 0.00 H new ATOM 0 HG SER A 20 16.526 -19.329 -5.568 1.00 0.00 H new ATOM 314 N LEU A 21 17.891 -15.273 -7.931 1.00 0.00 N ATOM 315 CA LEU A 21 17.900 -14.179 -8.895 1.00 0.00 C ATOM 316 C LEU A 21 17.529 -14.677 -10.288 1.00 0.00 C ATOM 317 O LEU A 21 16.740 -14.049 -10.994 1.00 0.00 O ATOM 318 CB LEU A 21 19.277 -13.514 -8.928 1.00 0.00 C ATOM 319 CG LEU A 21 20.435 -14.340 -8.369 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.684 -14.151 -9.216 1.00 0.00 C ATOM 321 CD2 LEU A 21 20.709 -13.963 -6.920 1.00 0.00 C ATOM 0 H LEU A 21 18.726 -15.327 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 21 17.157 -13.446 -8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.508 -13.254 -9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.221 -12.580 -8.369 1.00 0.00 H new ATOM 0 HG LEU A 21 20.154 -15.393 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.498 -14.747 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.482 -14.472 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.968 -13.099 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.537 -14.561 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.968 -12.906 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.819 -14.152 -6.320 1.00 0.00 H new ATOM 333 N SER A 22 18.103 -15.812 -10.677 1.00 0.00 N ATOM 334 CA SER A 22 17.834 -16.394 -11.986 1.00 0.00 C ATOM 335 C SER A 22 16.333 -16.464 -12.252 1.00 0.00 C ATOM 336 O SER A 22 15.892 -16.391 -13.398 1.00 0.00 O ATOM 337 CB SER A 22 18.446 -17.793 -12.081 1.00 0.00 C ATOM 338 OG SER A 22 17.679 -18.629 -12.930 1.00 0.00 O ATOM 0 H SER A 22 18.757 -16.346 -10.104 1.00 0.00 H new ATOM 0 HA SER A 22 18.290 -15.754 -12.741 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.466 -17.722 -12.460 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.505 -18.236 -11.087 1.00 0.00 H new ATOM 0 HG SER A 22 18.092 -19.517 -12.975 1.00 0.00 H new ATOM 344 N GLU A 23 15.555 -16.606 -11.184 1.00 0.00 N ATOM 345 CA GLU A 23 14.104 -16.687 -11.301 1.00 0.00 C ATOM 346 C GLU A 23 13.476 -15.297 -11.253 1.00 0.00 C ATOM 347 O GLU A 23 12.438 -15.050 -11.870 1.00 0.00 O ATOM 348 CB GLU A 23 13.527 -17.558 -10.184 1.00 0.00 C ATOM 349 CG GLU A 23 12.334 -18.393 -10.617 1.00 0.00 C ATOM 350 CD GLU A 23 12.736 -19.608 -11.429 1.00 0.00 C ATOM 351 OE1 GLU A 23 13.932 -19.728 -11.767 1.00 0.00 O ATOM 352 OE2 GLU A 23 11.853 -20.440 -11.727 1.00 0.00 O ATOM 0 H GLU A 23 15.905 -16.667 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 23 13.868 -17.141 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.308 -18.221 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.230 -16.918 -9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.783 -18.717 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.657 -17.774 -11.206 1.00 0.00 H new ATOM 359 N LEU A 24 14.112 -14.392 -10.516 1.00 0.00 N ATOM 360 CA LEU A 24 13.616 -13.027 -10.386 1.00 0.00 C ATOM 361 C LEU A 24 13.876 -12.229 -11.660 1.00 0.00 C ATOM 362 O LEU A 24 12.952 -11.686 -12.266 1.00 0.00 O ATOM 363 CB LEU A 24 14.278 -12.334 -9.193 1.00 0.00 C ATOM 364 CG LEU A 24 13.721 -10.960 -8.821 1.00 0.00 C ATOM 365 CD1 LEU A 24 13.898 -10.697 -7.334 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.396 -9.871 -9.642 1.00 0.00 C ATOM 0 H LEU A 24 14.972 -14.579 -10.000 1.00 0.00 H new ATOM 0 HA LEU A 24 12.540 -13.072 -10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.190 -12.987 -8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.342 -12.227 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 24 12.655 -10.948 -9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.496 -9.714 -7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.367 -11.460 -6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.958 -10.728 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.987 -8.900 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.469 -9.882 -9.449 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.216 -10.050 -10.702 1.00 0.00 H new ATOM 378 N THR A 25 15.142 -12.164 -12.064 1.00 0.00 N ATOM 379 CA THR A 25 15.524 -11.435 -13.266 1.00 0.00 C ATOM 380 C THR A 25 14.692 -11.876 -14.465 1.00 0.00 C ATOM 381 O THR A 25 14.466 -11.101 -15.394 1.00 0.00 O ATOM 382 CB THR A 25 17.017 -11.631 -13.591 1.00 0.00 C ATOM 383 OG1 THR A 25 17.349 -10.944 -14.803 1.00 0.00 O ATOM 384 CG2 THR A 25 17.350 -13.108 -13.732 1.00 0.00 C ATOM 0 H THR A 25 15.919 -12.608 -11.575 1.00 0.00 H new ATOM 0 HA THR A 25 15.338 -10.379 -13.068 1.00 0.00 H new ATOM 0 HB THR A 25 17.602 -11.219 -12.769 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.965 -10.043 -14.784 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.409 -13.222 -13.961 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.124 -13.623 -12.798 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.756 -13.540 -14.538 1.00 0.00 H new ATOM 392 N ASP A 26 14.239 -13.124 -14.437 1.00 0.00 N ATOM 393 CA ASP A 26 13.430 -13.668 -15.522 1.00 0.00 C ATOM 394 C ASP A 26 11.945 -13.442 -15.258 1.00 0.00 C ATOM 395 O ASP A 26 11.136 -13.418 -16.185 1.00 0.00 O ATOM 396 CB ASP A 26 13.709 -15.162 -15.695 1.00 0.00 C ATOM 397 CG ASP A 26 13.399 -15.650 -17.096 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.203 -15.804 -17.419 1.00 0.00 O ATOM 399 OD2 ASP A 26 14.352 -15.878 -17.870 1.00 0.00 O ATOM 0 H ASP A 26 14.418 -13.778 -13.675 1.00 0.00 H new ATOM 0 HA ASP A 26 13.700 -13.147 -16.441 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.756 -15.362 -15.467 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.113 -15.725 -14.977 1.00 0.00 H new ATOM 404 N ALA A 27 11.593 -13.279 -13.986 1.00 0.00 N ATOM 405 CA ALA A 27 10.206 -13.055 -13.600 1.00 0.00 C ATOM 406 C ALA A 27 9.907 -11.565 -13.465 1.00 0.00 C ATOM 407 O ALA A 27 9.005 -11.167 -12.728 1.00 0.00 O ATOM 408 CB ALA A 27 9.897 -13.777 -12.297 1.00 0.00 C ATOM 0 H ALA A 27 12.250 -13.298 -13.206 1.00 0.00 H new ATOM 0 HA ALA A 27 9.567 -13.458 -14.386 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.857 -13.601 -12.021 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.062 -14.847 -12.426 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.550 -13.402 -11.509 1.00 0.00 H new ATOM 414 N LEU A 28 10.671 -10.747 -14.181 1.00 0.00 N ATOM 415 CA LEU A 28 10.489 -9.300 -14.140 1.00 0.00 C ATOM 416 C LEU A 28 9.857 -8.795 -15.433 1.00 0.00 C ATOM 417 O LEU A 28 8.891 -8.031 -15.407 1.00 0.00 O ATOM 418 CB LEU A 28 11.831 -8.603 -13.909 1.00 0.00 C ATOM 419 CG LEU A 28 12.224 -8.372 -12.450 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.737 -8.404 -12.293 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.662 -7.050 -11.949 1.00 0.00 C ATOM 0 H LEU A 28 11.422 -11.061 -14.796 1.00 0.00 H new ATOM 0 HA LEU A 28 9.819 -9.066 -13.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.612 -9.195 -14.386 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.809 -7.638 -14.416 1.00 0.00 H new ATOM 0 HG LEU A 28 11.800 -9.176 -11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.998 -8.238 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.115 -9.375 -12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.183 -7.622 -12.907 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.952 -6.902 -10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.056 -6.234 -12.555 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.575 -7.065 -12.024 1.00 0.00 H new ATOM 433 N ARG A 29 10.407 -9.227 -16.563 1.00 0.00 N ATOM 434 CA ARG A 29 9.896 -8.820 -17.867 1.00 0.00 C ATOM 435 C ARG A 29 8.468 -9.316 -18.071 1.00 0.00 C ATOM 436 O ARG A 29 7.752 -8.840 -18.953 1.00 0.00 O ATOM 437 CB ARG A 29 10.797 -9.354 -18.981 1.00 0.00 C ATOM 438 CG ARG A 29 11.394 -8.265 -19.857 1.00 0.00 C ATOM 439 CD ARG A 29 12.700 -8.714 -20.493 1.00 0.00 C ATOM 440 NE ARG A 29 12.669 -8.597 -21.948 1.00 0.00 N ATOM 441 CZ ARG A 29 12.036 -9.454 -22.741 1.00 0.00 C ATOM 442 NH1 ARG A 29 11.384 -10.485 -22.222 1.00 0.00 N ATOM 443 NH2 ARG A 29 12.054 -9.281 -24.056 1.00 0.00 N ATOM 0 H ARG A 29 11.207 -9.859 -16.602 1.00 0.00 H new ATOM 0 HA ARG A 29 9.892 -7.731 -17.903 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.605 -9.934 -18.536 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.221 -10.037 -19.606 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.683 -7.994 -20.637 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.568 -7.370 -19.259 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.520 -8.114 -20.099 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.901 -9.749 -20.217 1.00 0.00 H new ATOM 0 HE ARG A 29 13.160 -7.814 -22.379 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.368 -10.622 -21.211 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.899 -11.142 -22.833 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.554 -8.489 -24.459 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.567 -9.940 -24.664 1.00 0.00 H new ATOM 457 N THR A 30 8.058 -10.278 -17.249 1.00 0.00 N ATOM 458 CA THR A 30 6.717 -10.841 -17.340 1.00 0.00 C ATOM 459 C THR A 30 5.694 -9.937 -16.660 1.00 0.00 C ATOM 460 O THR A 30 4.599 -9.721 -17.180 1.00 0.00 O ATOM 461 CB THR A 30 6.651 -12.242 -16.703 1.00 0.00 C ATOM 462 OG1 THR A 30 5.327 -12.774 -16.826 1.00 0.00 O ATOM 463 CG2 THR A 30 7.047 -12.188 -15.236 1.00 0.00 C ATOM 0 H THR A 30 8.636 -10.683 -16.513 1.00 0.00 H new ATOM 0 HA THR A 30 6.479 -10.921 -18.401 1.00 0.00 H new ATOM 0 HB THR A 30 7.353 -12.890 -17.229 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.294 -13.665 -16.420 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.993 -13.189 -14.807 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.066 -11.810 -15.148 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.367 -11.526 -14.700 1.00 0.00 H new ATOM 471 N LEU A 31 6.058 -9.411 -15.496 1.00 0.00 N ATOM 472 CA LEU A 31 5.172 -8.530 -14.744 1.00 0.00 C ATOM 473 C LEU A 31 5.013 -7.187 -15.450 1.00 0.00 C ATOM 474 O LEU A 31 4.031 -6.477 -15.241 1.00 0.00 O ATOM 475 CB LEU A 31 5.714 -8.314 -13.330 1.00 0.00 C ATOM 476 CG LEU A 31 6.246 -9.559 -12.619 1.00 0.00 C ATOM 477 CD1 LEU A 31 6.956 -9.174 -11.330 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.115 -10.536 -12.335 1.00 0.00 C ATOM 0 H LEU A 31 6.961 -9.579 -15.052 1.00 0.00 H new ATOM 0 HA LEU A 31 4.193 -9.006 -14.682 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.516 -7.577 -13.378 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.920 -7.883 -12.720 1.00 0.00 H new ATOM 0 HG LEU A 31 6.966 -10.049 -13.275 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.328 -10.072 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.792 -8.513 -11.559 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.257 -8.661 -10.669 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.513 -11.416 -11.829 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.371 -10.056 -11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.650 -10.837 -13.274 1.00 0.00 H new ATOM 490 N GLY A 32 5.987 -6.846 -16.289 1.00 0.00 N ATOM 491 CA GLY A 32 5.935 -5.591 -17.015 1.00 0.00 C ATOM 492 C GLY A 32 7.200 -4.773 -16.851 1.00 0.00 C ATOM 493 O GLY A 32 7.154 -3.543 -16.821 1.00 0.00 O ATOM 0 H GLY A 32 6.811 -7.417 -16.478 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.772 -5.794 -18.073 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.082 -5.009 -16.667 1.00 0.00 H new ATOM 497 N SER A 33 8.335 -5.457 -16.742 1.00 0.00 N ATOM 498 CA SER A 33 9.619 -4.786 -16.574 1.00 0.00 C ATOM 499 C SER A 33 10.179 -4.339 -17.921 1.00 0.00 C ATOM 500 O SER A 33 9.518 -4.460 -18.953 1.00 0.00 O ATOM 501 CB SER A 33 10.616 -5.714 -15.877 1.00 0.00 C ATOM 502 OG SER A 33 10.216 -5.983 -14.544 1.00 0.00 O ATOM 0 H SER A 33 8.391 -6.475 -16.767 1.00 0.00 H new ATOM 0 HA SER A 33 9.461 -3.903 -15.955 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.696 -6.649 -16.432 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.605 -5.257 -15.878 1.00 0.00 H new ATOM 0 HG SER A 33 9.418 -6.552 -14.550 1.00 0.00 H new ATOM 508 N THR A 34 11.403 -3.822 -17.903 1.00 0.00 N ATOM 509 CA THR A 34 12.053 -3.355 -19.121 1.00 0.00 C ATOM 510 C THR A 34 13.558 -3.589 -19.065 1.00 0.00 C ATOM 511 O THR A 34 14.147 -4.128 -20.002 1.00 0.00 O ATOM 512 CB THR A 34 11.787 -1.857 -19.361 1.00 0.00 C ATOM 513 OG1 THR A 34 11.451 -1.215 -18.126 1.00 0.00 O ATOM 514 CG2 THR A 34 10.659 -1.662 -20.363 1.00 0.00 C ATOM 0 H THR A 34 11.964 -3.716 -17.058 1.00 0.00 H new ATOM 0 HA THR A 34 11.629 -3.928 -19.945 1.00 0.00 H new ATOM 0 HB THR A 34 12.694 -1.410 -19.767 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.285 -0.263 -18.287 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.489 -0.596 -20.517 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.930 -2.127 -21.311 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.749 -2.123 -19.980 1.00 0.00 H new ATOM 522 N SER A 35 14.176 -3.182 -17.961 1.00 0.00 N ATOM 523 CA SER A 35 15.614 -3.345 -17.785 1.00 0.00 C ATOM 524 C SER A 35 15.935 -4.704 -17.170 1.00 0.00 C ATOM 525 O SER A 35 17.035 -4.923 -16.663 1.00 0.00 O ATOM 526 CB SER A 35 16.171 -2.227 -16.900 1.00 0.00 C ATOM 527 OG SER A 35 15.196 -1.776 -15.975 1.00 0.00 O ATOM 0 H SER A 35 13.703 -2.737 -17.175 1.00 0.00 H new ATOM 0 HA SER A 35 16.084 -3.290 -18.767 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.048 -2.587 -16.362 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.499 -1.395 -17.523 1.00 0.00 H new ATOM 0 HG SER A 35 15.249 -0.801 -15.893 1.00 0.00 H new ATOM 533 N ALA A 36 14.967 -5.612 -17.220 1.00 0.00 N ATOM 534 CA ALA A 36 15.146 -6.950 -16.671 1.00 0.00 C ATOM 535 C ALA A 36 16.422 -7.595 -17.200 1.00 0.00 C ATOM 536 O ALA A 36 17.112 -8.314 -16.477 1.00 0.00 O ATOM 537 CB ALA A 36 13.940 -7.820 -16.994 1.00 0.00 C ATOM 0 H ALA A 36 14.050 -5.446 -17.635 1.00 0.00 H new ATOM 0 HA ALA A 36 15.237 -6.861 -15.588 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.088 -8.816 -16.578 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.044 -7.375 -16.561 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.823 -7.892 -18.075 1.00 0.00 H new ATOM 543 N ASP A 37 16.730 -7.334 -18.466 1.00 0.00 N ATOM 544 CA ASP A 37 17.924 -7.889 -19.093 1.00 0.00 C ATOM 545 C ASP A 37 19.175 -7.148 -18.630 1.00 0.00 C ATOM 546 O ASP A 37 20.267 -7.714 -18.600 1.00 0.00 O ATOM 547 CB ASP A 37 17.807 -7.816 -20.616 1.00 0.00 C ATOM 548 CG ASP A 37 19.118 -8.124 -21.312 1.00 0.00 C ATOM 549 OD1 ASP A 37 19.637 -9.245 -21.129 1.00 0.00 O ATOM 550 OD2 ASP A 37 19.625 -7.245 -22.040 1.00 0.00 O ATOM 0 H ASP A 37 16.169 -6.741 -19.078 1.00 0.00 H new ATOM 0 HA ASP A 37 18.010 -8.933 -18.793 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.046 -8.519 -20.953 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.471 -6.820 -20.904 1.00 0.00 H new ATOM 555 N GLU A 38 19.006 -5.879 -18.271 1.00 0.00 N ATOM 556 CA GLU A 38 20.123 -5.061 -17.812 1.00 0.00 C ATOM 557 C GLU A 38 20.851 -5.736 -16.653 1.00 0.00 C ATOM 558 O GLU A 38 22.056 -5.558 -16.474 1.00 0.00 O ATOM 559 CB GLU A 38 19.628 -3.679 -17.382 1.00 0.00 C ATOM 560 CG GLU A 38 18.862 -2.941 -18.468 1.00 0.00 C ATOM 561 CD GLU A 38 19.729 -2.604 -19.666 1.00 0.00 C ATOM 562 OE1 GLU A 38 20.523 -1.645 -19.573 1.00 0.00 O ATOM 563 OE2 GLU A 38 19.611 -3.300 -20.697 1.00 0.00 O ATOM 0 H GLU A 38 18.108 -5.396 -18.289 1.00 0.00 H new ATOM 0 HA GLU A 38 20.822 -4.947 -18.641 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.987 -3.788 -16.507 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.483 -3.075 -17.078 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.020 -3.553 -18.794 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.447 -2.022 -18.054 1.00 0.00 H new ATOM 570 N VAL A 39 20.110 -6.511 -15.867 1.00 0.00 N ATOM 571 CA VAL A 39 20.684 -7.213 -14.726 1.00 0.00 C ATOM 572 C VAL A 39 20.744 -8.716 -14.978 1.00 0.00 C ATOM 573 O VAL A 39 21.525 -9.429 -14.350 1.00 0.00 O ATOM 574 CB VAL A 39 19.876 -6.951 -13.441 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.406 -7.278 -13.658 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.444 -7.755 -12.281 1.00 0.00 C ATOM 0 H VAL A 39 19.111 -6.668 -16.000 1.00 0.00 H new ATOM 0 HA VAL A 39 21.696 -6.829 -14.595 1.00 0.00 H new ATOM 0 HB VAL A 39 19.955 -5.893 -13.193 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.851 -7.087 -12.739 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.009 -6.654 -14.458 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.303 -8.328 -13.932 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.861 -7.558 -11.381 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.397 -8.818 -12.518 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.481 -7.466 -12.112 1.00 0.00 H new ATOM 586 N GLN A 40 19.912 -9.189 -15.901 1.00 0.00 N ATOM 587 CA GLN A 40 19.870 -10.607 -16.236 1.00 0.00 C ATOM 588 C GLN A 40 21.260 -11.123 -16.595 1.00 0.00 C ATOM 589 O GLN A 40 21.540 -12.315 -16.475 1.00 0.00 O ATOM 590 CB GLN A 40 18.906 -10.850 -17.398 1.00 0.00 C ATOM 591 CG GLN A 40 18.293 -12.241 -17.399 1.00 0.00 C ATOM 592 CD GLN A 40 18.815 -13.108 -18.529 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.773 -12.717 -19.696 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.310 -14.291 -18.188 1.00 0.00 N ATOM 0 H GLN A 40 19.259 -8.611 -16.429 1.00 0.00 H new ATOM 0 HA GLN A 40 19.516 -11.151 -15.360 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.107 -10.110 -17.357 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.436 -10.695 -18.338 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.503 -12.727 -16.446 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.209 -12.156 -17.482 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.325 -14.574 -17.208 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.676 -14.917 -18.906 1.00 0.00 H new ATOM 603 N ARG A 41 22.126 -10.217 -17.038 1.00 0.00 N ATOM 604 CA ARG A 41 23.486 -10.580 -17.417 1.00 0.00 C ATOM 605 C ARG A 41 24.506 -9.857 -16.543 1.00 0.00 C ATOM 606 O ARG A 41 25.689 -9.793 -16.876 1.00 0.00 O ATOM 607 CB ARG A 41 23.733 -10.248 -18.890 1.00 0.00 C ATOM 608 CG ARG A 41 23.661 -8.762 -19.199 1.00 0.00 C ATOM 609 CD ARG A 41 24.738 -8.346 -20.188 1.00 0.00 C ATOM 610 NE ARG A 41 24.240 -8.317 -21.561 1.00 0.00 N ATOM 611 CZ ARG A 41 24.856 -7.685 -22.553 1.00 0.00 C ATOM 612 NH1 ARG A 41 25.988 -7.032 -22.326 1.00 0.00 N ATOM 613 NH2 ARG A 41 24.340 -7.704 -23.776 1.00 0.00 N ATOM 0 H ARG A 41 21.909 -9.226 -17.143 1.00 0.00 H new ATOM 0 HA ARG A 41 23.603 -11.653 -17.269 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.715 -10.623 -19.179 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.999 -10.774 -19.500 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.679 -8.521 -19.606 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.772 -8.192 -18.277 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.116 -7.360 -19.919 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.578 -9.038 -20.122 1.00 0.00 H new ATOM 0 HE ARG A 41 23.371 -8.809 -21.769 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.387 -7.015 -21.388 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.459 -6.547 -23.090 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.469 -8.204 -23.954 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.814 -7.218 -24.537 1.00 0.00 H new ATOM 627 N MET A 42 24.038 -9.313 -15.424 1.00 0.00 N ATOM 628 CA MET A 42 24.910 -8.595 -14.501 1.00 0.00 C ATOM 629 C MET A 42 24.394 -8.702 -13.070 1.00 0.00 C ATOM 630 O MET A 42 24.598 -7.801 -12.258 1.00 0.00 O ATOM 631 CB MET A 42 25.017 -7.124 -14.908 1.00 0.00 C ATOM 632 CG MET A 42 25.700 -6.912 -16.250 1.00 0.00 C ATOM 633 SD MET A 42 26.489 -5.296 -16.380 1.00 0.00 S ATOM 634 CE MET A 42 25.440 -4.504 -17.596 1.00 0.00 C ATOM 0 H MET A 42 23.061 -9.356 -15.135 1.00 0.00 H new ATOM 0 HA MET A 42 25.899 -9.051 -14.546 1.00 0.00 H new ATOM 0 HB2 MET A 42 24.017 -6.693 -14.947 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.568 -6.582 -14.140 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.448 -7.690 -16.399 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.965 -7.019 -17.048 1.00 0.00 H new ATOM 0 HE1 MET A 42 25.801 -3.493 -17.784 1.00 0.00 H new ATOM 0 HE2 MET A 42 25.463 -5.076 -18.524 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.417 -4.461 -17.221 1.00 0.00 H new ATOM 644 N MET A 43 23.725 -9.810 -12.769 1.00 0.00 N ATOM 645 CA MET A 43 23.181 -10.035 -11.434 1.00 0.00 C ATOM 646 C MET A 43 24.203 -10.728 -10.540 1.00 0.00 C ATOM 647 O MET A 43 24.107 -10.675 -9.314 1.00 0.00 O ATOM 648 CB MET A 43 21.904 -10.874 -11.516 1.00 0.00 C ATOM 649 CG MET A 43 21.035 -10.780 -10.273 1.00 0.00 C ATOM 650 SD MET A 43 19.284 -10.592 -10.662 1.00 0.00 S ATOM 651 CE MET A 43 18.745 -9.554 -9.306 1.00 0.00 C ATOM 0 H MET A 43 23.546 -10.566 -13.430 1.00 0.00 H new ATOM 0 HA MET A 43 22.943 -9.065 -10.997 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.323 -10.553 -12.381 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.174 -11.917 -11.683 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.175 -11.676 -9.668 1.00 0.00 H new ATOM 0 HG3 MET A 43 21.362 -9.934 -9.669 1.00 0.00 H new ATOM 0 HE1 MET A 43 17.718 -9.232 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 43 18.796 -10.117 -8.374 1.00 0.00 H new ATOM 0 HE3 MET A 43 19.392 -8.680 -9.237 1.00 0.00 H new ATOM 661 N ALA A 44 25.182 -11.378 -11.161 1.00 0.00 N ATOM 662 CA ALA A 44 26.223 -12.080 -10.421 1.00 0.00 C ATOM 663 C ALA A 44 27.465 -11.209 -10.260 1.00 0.00 C ATOM 664 O ALA A 44 28.514 -11.683 -9.826 1.00 0.00 O ATOM 665 CB ALA A 44 26.578 -13.385 -11.118 1.00 0.00 C ATOM 0 H ALA A 44 25.276 -11.433 -12.175 1.00 0.00 H new ATOM 0 HA ALA A 44 25.838 -12.305 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.357 -13.899 -10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.693 -14.019 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 44 26.939 -13.173 -12.125 1.00 0.00 H new ATOM 671 N GLU A 45 27.338 -9.934 -10.614 1.00 0.00 N ATOM 672 CA GLU A 45 28.452 -8.999 -10.511 1.00 0.00 C ATOM 673 C GLU A 45 28.036 -7.738 -9.757 1.00 0.00 C ATOM 674 O GLU A 45 28.708 -6.709 -9.830 1.00 0.00 O ATOM 675 CB GLU A 45 28.966 -8.627 -11.903 1.00 0.00 C ATOM 676 CG GLU A 45 27.977 -7.814 -12.721 1.00 0.00 C ATOM 677 CD GLU A 45 28.520 -6.453 -13.109 1.00 0.00 C ATOM 678 OE1 GLU A 45 29.538 -6.404 -13.831 1.00 0.00 O ATOM 679 OE2 GLU A 45 27.927 -5.437 -12.690 1.00 0.00 O ATOM 0 H GLU A 45 26.476 -9.525 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 45 29.252 -9.488 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.891 -8.060 -11.800 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.210 -9.540 -12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.716 -8.367 -13.623 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.058 -7.685 -12.149 1.00 0.00 H new ATOM 686 N ILE A 46 26.923 -7.828 -9.036 1.00 0.00 N ATOM 687 CA ILE A 46 26.418 -6.696 -8.269 1.00 0.00 C ATOM 688 C ILE A 46 26.450 -6.987 -6.773 1.00 0.00 C ATOM 689 O ILE A 46 26.494 -6.070 -5.952 1.00 0.00 O ATOM 690 CB ILE A 46 24.978 -6.336 -8.680 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.145 -7.606 -8.865 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.982 -5.508 -9.956 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.751 -7.505 -8.285 1.00 0.00 C ATOM 0 H ILE A 46 26.355 -8.672 -8.967 1.00 0.00 H new ATOM 0 HA ILE A 46 27.072 -5.851 -8.486 1.00 0.00 H new ATOM 0 HB ILE A 46 24.527 -5.741 -7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.072 -7.831 -9.929 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.664 -8.443 -8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.957 -5.262 -10.233 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.544 -4.589 -9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.448 -6.079 -10.759 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.218 -8.441 -8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.816 -7.311 -7.214 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.214 -6.690 -8.769 1.00 0.00 H new ATOM 705 N ASP A 47 26.430 -8.269 -6.425 1.00 0.00 N ATOM 706 CA ASP A 47 26.460 -8.682 -5.026 1.00 0.00 C ATOM 707 C ASP A 47 26.420 -10.202 -4.908 1.00 0.00 C ATOM 708 O ASP A 47 27.182 -10.797 -4.145 1.00 0.00 O ATOM 709 CB ASP A 47 25.285 -8.067 -4.265 1.00 0.00 C ATOM 710 CG ASP A 47 25.736 -7.179 -3.122 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.556 -7.640 -2.300 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.270 -6.023 -3.050 1.00 0.00 O ATOM 0 H ASP A 47 26.393 -9.040 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 47 27.392 -8.326 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.674 -7.484 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.652 -8.864 -3.874 1.00 0.00 H new ATOM 717 N THR A 48 25.525 -10.826 -5.667 1.00 0.00 N ATOM 718 CA THR A 48 25.383 -12.277 -5.646 1.00 0.00 C ATOM 719 C THR A 48 26.731 -12.964 -5.828 1.00 0.00 C ATOM 720 O THR A 48 27.339 -12.885 -6.895 1.00 0.00 O ATOM 721 CB THR A 48 24.419 -12.763 -6.745 1.00 0.00 C ATOM 722 OG1 THR A 48 23.176 -12.058 -6.653 1.00 0.00 O ATOM 723 CG2 THR A 48 24.169 -14.259 -6.622 1.00 0.00 C ATOM 0 H THR A 48 24.887 -10.349 -6.304 1.00 0.00 H new ATOM 0 HA THR A 48 24.973 -12.540 -4.671 1.00 0.00 H new ATOM 0 HB THR A 48 24.878 -12.565 -7.714 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.091 -11.444 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.486 -14.580 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.113 -14.795 -6.721 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.729 -14.476 -5.648 1.00 0.00 H new ATOM 731 N ASP A 49 27.192 -13.638 -4.780 1.00 0.00 N ATOM 732 CA ASP A 49 28.469 -14.341 -4.826 1.00 0.00 C ATOM 733 C ASP A 49 28.277 -15.834 -4.578 1.00 0.00 C ATOM 734 O ASP A 49 29.165 -16.639 -4.852 1.00 0.00 O ATOM 735 CB ASP A 49 29.433 -13.759 -3.790 1.00 0.00 C ATOM 736 CG ASP A 49 29.736 -12.295 -4.039 1.00 0.00 C ATOM 737 OD1 ASP A 49 29.948 -11.924 -5.212 1.00 0.00 O ATOM 738 OD2 ASP A 49 29.760 -11.520 -3.060 1.00 0.00 O ATOM 0 H ASP A 49 26.701 -13.712 -3.889 1.00 0.00 H new ATOM 0 HA ASP A 49 28.893 -14.208 -5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.004 -13.874 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.363 -14.327 -3.804 1.00 0.00 H new ATOM 743 N GLY A 50 27.109 -16.196 -4.055 1.00 0.00 N ATOM 744 CA GLY A 50 26.821 -17.591 -3.778 1.00 0.00 C ATOM 745 C GLY A 50 26.742 -18.429 -5.039 1.00 0.00 C ATOM 746 O GLY A 50 27.738 -18.597 -5.743 1.00 0.00 O ATOM 0 H GLY A 50 26.358 -15.548 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.594 -17.995 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.877 -17.663 -3.238 1.00 0.00 H new ATOM 750 N ASP A 51 25.557 -18.956 -5.323 1.00 0.00 N ATOM 751 CA ASP A 51 25.352 -19.782 -6.508 1.00 0.00 C ATOM 752 C ASP A 51 24.254 -19.200 -7.393 1.00 0.00 C ATOM 753 O ASP A 51 24.004 -19.691 -8.493 1.00 0.00 O ATOM 754 CB ASP A 51 24.993 -21.212 -6.103 1.00 0.00 C ATOM 755 CG ASP A 51 25.441 -22.234 -7.129 1.00 0.00 C ATOM 756 OD1 ASP A 51 26.365 -21.926 -7.911 1.00 0.00 O ATOM 757 OD2 ASP A 51 24.868 -23.344 -7.151 1.00 0.00 O ATOM 0 H ASP A 51 24.723 -18.827 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 51 26.282 -19.796 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.453 -21.441 -5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 51 23.914 -21.288 -5.966 1.00 0.00 H new ATOM 762 N GLY A 52 23.601 -18.150 -6.904 1.00 0.00 N ATOM 763 CA GLY A 52 22.537 -17.519 -7.663 1.00 0.00 C ATOM 764 C GLY A 52 21.356 -17.133 -6.794 1.00 0.00 C ATOM 765 O GLY A 52 20.203 -17.318 -7.184 1.00 0.00 O ATOM 0 H GLY A 52 23.790 -17.725 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.926 -16.629 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.201 -18.199 -8.446 1.00 0.00 H new ATOM 769 N PHE A 53 21.643 -16.597 -5.612 1.00 0.00 N ATOM 770 CA PHE A 53 20.595 -16.187 -4.685 1.00 0.00 C ATOM 771 C PHE A 53 20.971 -14.886 -3.981 1.00 0.00 C ATOM 772 O PHE A 53 22.094 -14.398 -4.114 1.00 0.00 O ATOM 773 CB PHE A 53 20.342 -17.285 -3.650 1.00 0.00 C ATOM 774 CG PHE A 53 19.972 -18.608 -4.258 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.946 -19.437 -4.790 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.650 -19.021 -4.297 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.609 -20.655 -5.350 1.00 0.00 C ATOM 778 CE2 PHE A 53 18.307 -20.238 -4.855 1.00 0.00 C ATOM 779 CZ PHE A 53 19.288 -21.056 -5.383 1.00 0.00 C ATOM 0 H PHE A 53 22.592 -16.437 -5.274 1.00 0.00 H new ATOM 0 HA PHE A 53 19.683 -16.020 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.237 -17.412 -3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.543 -16.965 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.981 -19.128 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.879 -18.385 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 53 21.378 -21.292 -5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 53 17.273 -20.550 -4.878 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.022 -22.007 -5.821 1.00 0.00 H new ATOM 789 N ILE A 54 20.024 -14.330 -3.233 1.00 0.00 N ATOM 790 CA ILE A 54 20.255 -13.087 -2.508 1.00 0.00 C ATOM 791 C ILE A 54 19.404 -13.020 -1.245 1.00 0.00 C ATOM 792 O ILE A 54 18.181 -13.156 -1.300 1.00 0.00 O ATOM 793 CB ILE A 54 19.949 -11.858 -3.385 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.669 -12.086 -4.191 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.119 -11.565 -4.312 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.295 -10.917 -5.075 1.00 0.00 C ATOM 0 H ILE A 54 19.089 -14.721 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 54 21.310 -13.074 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 54 19.799 -10.995 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.793 -12.974 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.848 -12.289 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.888 -10.694 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.012 -11.365 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.297 -12.426 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.378 -11.149 -5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.139 -10.031 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.098 -10.727 -5.787 1.00 0.00 H new ATOM 808 N ASP A 55 20.058 -12.809 -0.108 1.00 0.00 N ATOM 809 CA ASP A 55 19.360 -12.721 1.170 1.00 0.00 C ATOM 810 C ASP A 55 18.297 -11.628 1.134 1.00 0.00 C ATOM 811 O ASP A 55 17.099 -11.913 1.106 1.00 0.00 O ATOM 812 CB ASP A 55 20.354 -12.446 2.299 1.00 0.00 C ATOM 813 CG ASP A 55 21.142 -13.681 2.690 1.00 0.00 C ATOM 814 OD1 ASP A 55 20.552 -14.588 3.313 1.00 0.00 O ATOM 815 OD2 ASP A 55 22.349 -13.740 2.374 1.00 0.00 O ATOM 0 H ASP A 55 21.070 -12.696 -0.045 1.00 0.00 H new ATOM 0 HA ASP A 55 18.867 -13.676 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.044 -11.661 1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.816 -12.071 3.170 1.00 0.00 H new ATOM 820 N PHE A 56 18.741 -10.376 1.138 1.00 0.00 N ATOM 821 CA PHE A 56 17.828 -9.240 1.108 1.00 0.00 C ATOM 822 C PHE A 56 18.558 -7.965 0.693 1.00 0.00 C ATOM 823 O PHE A 56 18.126 -7.259 -0.216 1.00 0.00 O ATOM 824 CB PHE A 56 17.178 -9.045 2.480 1.00 0.00 C ATOM 825 CG PHE A 56 15.844 -8.357 2.418 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.720 -7.108 1.832 1.00 0.00 C ATOM 827 CD2 PHE A 56 14.714 -8.959 2.947 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.494 -6.472 1.775 1.00 0.00 C ATOM 829 CE2 PHE A 56 13.485 -8.329 2.893 1.00 0.00 C ATOM 830 CZ PHE A 56 13.375 -7.084 2.305 1.00 0.00 C ATOM 0 H PHE A 56 19.729 -10.122 1.162 1.00 0.00 H new ATOM 0 HA PHE A 56 17.052 -9.449 0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.055 -10.018 2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 56 17.849 -8.463 3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 56 16.591 -6.625 1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.794 -9.933 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.411 -5.498 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.612 -8.809 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.416 -6.590 2.260 1.00 0.00 H new ATOM 840 N ASN A 57 19.666 -7.679 1.368 1.00 0.00 N ATOM 841 CA ASN A 57 20.456 -6.490 1.071 1.00 0.00 C ATOM 842 C ASN A 57 20.872 -6.465 -0.397 1.00 0.00 C ATOM 843 O ASN A 57 20.765 -5.437 -1.065 1.00 0.00 O ATOM 844 CB ASN A 57 21.697 -6.440 1.965 1.00 0.00 C ATOM 845 CG ASN A 57 21.540 -5.468 3.118 1.00 0.00 C ATOM 846 OD1 ASN A 57 21.401 -4.262 2.913 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.563 -5.989 4.339 1.00 0.00 N ATOM 0 H ASN A 57 20.037 -8.254 2.124 1.00 0.00 H new ATOM 0 HA ASN A 57 19.837 -5.615 1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.899 -7.436 2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.561 -6.153 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.463 -5.384 5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.680 -6.995 4.462 1.00 0.00 H new ATOM 854 N GLU A 58 21.345 -7.605 -0.891 1.00 0.00 N ATOM 855 CA GLU A 58 21.777 -7.713 -2.280 1.00 0.00 C ATOM 856 C GLU A 58 20.613 -7.455 -3.233 1.00 0.00 C ATOM 857 O GLU A 58 20.803 -6.948 -4.339 1.00 0.00 O ATOM 858 CB GLU A 58 22.370 -9.098 -2.546 1.00 0.00 C ATOM 859 CG GLU A 58 23.518 -9.457 -1.617 1.00 0.00 C ATOM 860 CD GLU A 58 23.943 -10.907 -1.748 1.00 0.00 C ATOM 861 OE1 GLU A 58 24.793 -11.200 -2.614 1.00 0.00 O ATOM 862 OE2 GLU A 58 23.425 -11.748 -0.984 1.00 0.00 O ATOM 0 H GLU A 58 21.439 -8.465 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 58 22.543 -6.957 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.584 -9.846 -2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.721 -9.142 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.370 -8.812 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.222 -9.261 -0.587 1.00 0.00 H new ATOM 869 N PHE A 59 19.409 -7.808 -2.796 1.00 0.00 N ATOM 870 CA PHE A 59 18.214 -7.616 -3.610 1.00 0.00 C ATOM 871 C PHE A 59 17.853 -6.137 -3.707 1.00 0.00 C ATOM 872 O PHE A 59 17.368 -5.672 -4.738 1.00 0.00 O ATOM 873 CB PHE A 59 17.040 -8.402 -3.022 1.00 0.00 C ATOM 874 CG PHE A 59 15.702 -7.963 -3.547 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.245 -8.412 -4.776 1.00 0.00 C ATOM 876 CD2 PHE A 59 14.903 -7.103 -2.812 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.015 -8.009 -5.262 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.672 -6.697 -3.293 1.00 0.00 C ATOM 879 CZ PHE A 59 13.227 -7.151 -4.519 1.00 0.00 C ATOM 0 H PHE A 59 19.235 -8.228 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 59 18.425 -7.986 -4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.177 -9.461 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.049 -8.295 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.856 -9.084 -5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.245 -6.745 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.670 -8.365 -6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.059 -6.025 -2.710 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.265 -6.836 -4.896 1.00 0.00 H new ATOM 889 N ILE A 60 18.093 -5.404 -2.625 1.00 0.00 N ATOM 890 CA ILE A 60 17.794 -3.977 -2.587 1.00 0.00 C ATOM 891 C ILE A 60 18.876 -3.170 -3.297 1.00 0.00 C ATOM 892 O ILE A 60 18.612 -2.094 -3.831 1.00 0.00 O ATOM 893 CB ILE A 60 17.656 -3.469 -1.140 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.465 -4.140 -0.452 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.501 -1.956 -1.123 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.124 -3.672 -0.973 1.00 0.00 C ATOM 0 H ILE A 60 18.494 -5.774 -1.763 1.00 0.00 H new ATOM 0 HA ILE A 60 16.844 -3.840 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 60 18.561 -3.728 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.540 -5.219 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.518 -3.945 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.405 -1.612 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.377 -1.495 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.610 -1.675 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.326 -4.189 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.028 -2.598 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.051 -3.891 -2.038 1.00 0.00 H new ATOM 908 N SER A 61 20.096 -3.699 -3.298 1.00 0.00 N ATOM 909 CA SER A 61 21.220 -3.027 -3.940 1.00 0.00 C ATOM 910 C SER A 61 20.951 -2.821 -5.428 1.00 0.00 C ATOM 911 O SER A 61 21.014 -1.700 -5.933 1.00 0.00 O ATOM 912 CB SER A 61 22.503 -3.838 -3.750 1.00 0.00 C ATOM 913 OG SER A 61 23.645 -3.000 -3.786 1.00 0.00 O ATOM 0 H SER A 61 20.331 -4.590 -2.862 1.00 0.00 H new ATOM 0 HA SER A 61 21.343 -2.051 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.465 -4.366 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.578 -4.594 -4.531 1.00 0.00 H new ATOM 0 HG SER A 61 24.452 -3.541 -3.661 1.00 0.00 H new ATOM 919 N PHE A 62 20.652 -3.912 -6.125 1.00 0.00 N ATOM 920 CA PHE A 62 20.374 -3.853 -7.556 1.00 0.00 C ATOM 921 C PHE A 62 19.042 -3.158 -7.823 1.00 0.00 C ATOM 922 O PHE A 62 18.729 -2.810 -8.963 1.00 0.00 O ATOM 923 CB PHE A 62 20.357 -5.262 -8.152 1.00 0.00 C ATOM 924 CG PHE A 62 19.020 -5.659 -8.710 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.008 -6.099 -7.873 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.777 -5.594 -10.073 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.777 -6.466 -8.383 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.547 -5.959 -10.589 1.00 0.00 C ATOM 929 CZ PHE A 62 16.547 -6.396 -9.743 1.00 0.00 C ATOM 0 H PHE A 62 20.596 -4.848 -5.723 1.00 0.00 H new ATOM 0 HA PHE A 62 21.166 -3.275 -8.032 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.105 -5.323 -8.943 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.648 -5.977 -7.383 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.183 -6.156 -6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.556 -5.255 -10.739 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.996 -6.807 -7.719 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.369 -5.902 -11.653 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.586 -6.683 -10.144 1.00 0.00 H new ATOM 939 N CYS A 63 18.262 -2.961 -6.766 1.00 0.00 N ATOM 940 CA CYS A 63 16.963 -2.309 -6.886 1.00 0.00 C ATOM 941 C CYS A 63 17.117 -0.792 -6.926 1.00 0.00 C ATOM 942 O CYS A 63 16.545 -0.079 -6.103 1.00 0.00 O ATOM 943 CB CYS A 63 16.058 -2.712 -5.721 1.00 0.00 C ATOM 944 SG CYS A 63 15.044 -4.174 -6.044 1.00 0.00 S ATOM 0 H CYS A 63 18.506 -3.243 -5.817 1.00 0.00 H new ATOM 0 HA CYS A 63 16.506 -2.634 -7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.676 -2.899 -4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 63 15.403 -1.875 -5.478 1.00 0.00 H new ATOM 0 HG CYS A 63 14.656 -4.168 -7.285 1.00 0.00 H new ATOM 950 N ASN A 64 17.894 -0.307 -7.888 1.00 0.00 N ATOM 951 CA ASN A 64 18.126 1.126 -8.033 1.00 0.00 C ATOM 952 C ASN A 64 16.806 1.891 -8.052 1.00 0.00 C ATOM 953 O ASN A 64 16.687 2.959 -7.452 1.00 0.00 O ATOM 954 CB ASN A 64 18.911 1.409 -9.316 1.00 0.00 C ATOM 955 CG ASN A 64 20.165 0.564 -9.425 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.229 -0.371 -10.223 1.00 0.00 O ATOM 957 ND2 ASN A 64 21.170 0.889 -8.620 1.00 0.00 N ATOM 0 H ASN A 64 18.374 -0.884 -8.579 1.00 0.00 H new ATOM 0 HA ASN A 64 18.709 1.464 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.272 1.219 -10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 64 19.183 2.464 -9.347 1.00 0.00 H new ATOM 0 HD21 ASN A 64 22.039 0.355 -8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 64 21.073 1.672 -7.974 1.00 0.00 H new ATOM 964 N ALA A 65 15.817 1.337 -8.745 1.00 0.00 N ATOM 965 CA ALA A 65 14.505 1.965 -8.840 1.00 0.00 C ATOM 966 C ALA A 65 14.629 3.446 -9.181 1.00 0.00 C ATOM 967 O ALA A 65 14.000 4.293 -8.547 1.00 0.00 O ATOM 968 CB ALA A 65 13.737 1.783 -7.539 1.00 0.00 C ATOM 0 H ALA A 65 15.899 0.454 -9.249 1.00 0.00 H new ATOM 0 HA ALA A 65 13.954 1.479 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.759 2.257 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.608 0.719 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.293 2.242 -6.721 1.00 0.00 H new ATOM 974 N ASN A 66 15.444 3.751 -10.185 1.00 0.00 N ATOM 975 CA ASN A 66 15.651 5.131 -10.609 1.00 0.00 C ATOM 976 C ASN A 66 14.619 5.539 -11.657 1.00 0.00 C ATOM 977 O ASN A 66 13.762 6.391 -11.421 1.00 0.00 O ATOM 978 CB ASN A 66 17.062 5.307 -11.172 1.00 0.00 C ATOM 979 CG ASN A 66 17.980 6.041 -10.213 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.229 7.237 -10.367 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.488 5.325 -9.217 1.00 0.00 N ATOM 0 H ASN A 66 15.972 3.062 -10.720 1.00 0.00 H new ATOM 0 HA ASN A 66 15.532 5.774 -9.737 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.485 4.328 -11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.009 5.856 -12.112 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.112 5.764 -8.540 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.254 4.336 -9.129 1.00 0.00 H new ATOM 988 N PRO A 67 14.702 4.917 -12.842 1.00 0.00 N ATOM 989 CA PRO A 67 13.783 5.198 -13.949 1.00 0.00 C ATOM 990 C PRO A 67 12.370 4.694 -13.672 1.00 0.00 C ATOM 991 O PRO A 67 11.388 5.344 -14.027 1.00 0.00 O ATOM 992 CB PRO A 67 14.401 4.439 -15.125 1.00 0.00 C ATOM 993 CG PRO A 67 15.187 3.341 -14.496 1.00 0.00 C ATOM 994 CD PRO A 67 15.698 3.892 -13.193 1.00 0.00 C ATOM 0 HA PRO A 67 13.673 6.268 -14.126 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.632 4.045 -15.790 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.038 5.089 -15.725 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.565 2.461 -14.331 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.011 3.033 -15.139 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.765 3.118 -12.428 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.694 4.320 -13.301 1.00 0.00 H new ATOM 1002 N GLY A 68 12.277 3.530 -13.036 1.00 0.00 N ATOM 1003 CA GLY A 68 10.980 2.958 -12.723 1.00 0.00 C ATOM 1004 C GLY A 68 10.914 1.473 -13.019 1.00 0.00 C ATOM 1005 O GLY A 68 9.890 0.970 -13.483 1.00 0.00 O ATOM 0 H GLY A 68 13.076 2.973 -12.732 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.757 3.125 -11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.211 3.474 -13.297 1.00 0.00 H new ATOM 1009 N LEU A 69 12.009 0.769 -12.752 1.00 0.00 N ATOM 1010 CA LEU A 69 12.072 -0.668 -12.995 1.00 0.00 C ATOM 1011 C LEU A 69 11.768 -1.449 -11.721 1.00 0.00 C ATOM 1012 O LEU A 69 11.280 -2.577 -11.774 1.00 0.00 O ATOM 1013 CB LEU A 69 13.454 -1.055 -13.526 1.00 0.00 C ATOM 1014 CG LEU A 69 14.630 -0.808 -12.580 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.533 -2.030 -12.522 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.417 0.419 -13.017 1.00 0.00 C ATOM 0 H LEU A 69 12.865 1.170 -12.367 1.00 0.00 H new ATOM 0 HA LEU A 69 11.319 -0.919 -13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.438 -2.114 -13.785 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.634 -0.504 -14.449 1.00 0.00 H new ATOM 0 HG LEU A 69 14.236 -0.625 -11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.364 -1.836 -11.844 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.963 -2.887 -12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.920 -2.244 -13.518 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.250 0.580 -12.333 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.801 0.265 -14.026 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.765 1.292 -13.006 1.00 0.00 H new ATOM 1028 N MET A 70 12.057 -0.840 -10.576 1.00 0.00 N ATOM 1029 CA MET A 70 11.811 -1.477 -9.287 1.00 0.00 C ATOM 1030 C MET A 70 10.947 -0.589 -8.398 1.00 0.00 C ATOM 1031 O MET A 70 10.595 -0.967 -7.280 1.00 0.00 O ATOM 1032 CB MET A 70 13.135 -1.788 -8.586 1.00 0.00 C ATOM 1033 CG MET A 70 14.126 -2.535 -9.463 1.00 0.00 C ATOM 1034 SD MET A 70 13.896 -4.322 -9.406 1.00 0.00 S ATOM 1035 CE MET A 70 14.164 -4.754 -11.123 1.00 0.00 C ATOM 0 H MET A 70 12.462 0.094 -10.514 1.00 0.00 H new ATOM 0 HA MET A 70 11.277 -2.410 -9.467 1.00 0.00 H new ATOM 0 HB2 MET A 70 13.589 -0.854 -8.253 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.934 -2.380 -7.693 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.024 -2.192 -10.493 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.140 -2.293 -9.146 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.055 -5.831 -11.248 1.00 0.00 H new ATOM 0 HE2 MET A 70 13.432 -4.240 -11.746 1.00 0.00 H new ATOM 0 HE3 MET A 70 15.168 -4.454 -11.421 1.00 0.00 H new ATOM 1045 N LYS A 71 10.608 0.593 -8.900 1.00 0.00 N ATOM 1046 CA LYS A 71 9.785 1.536 -8.152 1.00 0.00 C ATOM 1047 C LYS A 71 8.326 1.450 -8.589 1.00 0.00 C ATOM 1048 O LYS A 71 7.422 1.831 -7.845 1.00 0.00 O ATOM 1049 CB LYS A 71 10.303 2.963 -8.345 1.00 0.00 C ATOM 1050 CG LYS A 71 9.390 4.026 -7.759 1.00 0.00 C ATOM 1051 CD LYS A 71 10.052 5.394 -7.765 1.00 0.00 C ATOM 1052 CE LYS A 71 9.072 6.488 -7.369 1.00 0.00 C ATOM 1053 NZ LYS A 71 8.352 7.041 -8.550 1.00 0.00 N ATOM 0 H LYS A 71 10.891 0.921 -9.823 1.00 0.00 H new ATOM 0 HA LYS A 71 9.846 1.274 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.288 3.048 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.431 3.153 -9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.463 4.067 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.122 3.755 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.897 5.394 -7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.450 5.603 -8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.349 6.088 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.608 7.290 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.694 7.784 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.039 7.445 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.820 6.281 -9.019 1.00 0.00 H new ATOM 1067 N ASP A 72 8.104 0.946 -9.798 1.00 0.00 N ATOM 1068 CA ASP A 72 6.755 0.808 -10.333 1.00 0.00 C ATOM 1069 C ASP A 72 6.617 -0.485 -11.131 1.00 0.00 C ATOM 1070 O ASP A 72 6.185 -0.472 -12.284 1.00 0.00 O ATOM 1071 CB ASP A 72 6.408 2.007 -11.217 1.00 0.00 C ATOM 1072 CG ASP A 72 7.614 2.545 -11.962 1.00 0.00 C ATOM 1073 OD1 ASP A 72 8.463 3.201 -11.322 1.00 0.00 O ATOM 1074 OD2 ASP A 72 7.710 2.310 -13.184 1.00 0.00 O ATOM 0 H ASP A 72 8.841 0.626 -10.426 1.00 0.00 H new ATOM 0 HA ASP A 72 6.060 0.772 -9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.641 1.716 -11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.983 2.799 -10.600 1.00 0.00 H new ATOM 1079 N VAL A 73 6.987 -1.600 -10.510 1.00 0.00 N ATOM 1080 CA VAL A 73 6.905 -2.902 -11.162 1.00 0.00 C ATOM 1081 C VAL A 73 6.069 -3.876 -10.340 1.00 0.00 C ATOM 1082 O VAL A 73 5.463 -4.800 -10.881 1.00 0.00 O ATOM 1083 CB VAL A 73 8.303 -3.506 -11.388 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.693 -4.402 -10.222 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.345 -4.275 -12.700 1.00 0.00 C ATOM 0 H VAL A 73 7.347 -1.628 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 73 6.426 -2.742 -12.128 1.00 0.00 H new ATOM 0 HB VAL A 73 9.026 -2.693 -11.447 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.684 -4.820 -10.400 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.705 -3.817 -9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.969 -5.212 -10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.340 -4.695 -12.844 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.611 -5.081 -12.673 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.113 -3.601 -13.525 1.00 0.00 H new ATOM 1095 N ALA A 74 6.041 -3.663 -9.028 1.00 0.00 N ATOM 1096 CA ALA A 74 5.277 -4.520 -8.131 1.00 0.00 C ATOM 1097 C ALA A 74 3.816 -4.090 -8.071 1.00 0.00 C ATOM 1098 O ALA A 74 3.003 -4.706 -7.381 1.00 0.00 O ATOM 1099 CB ALA A 74 5.891 -4.507 -6.738 1.00 0.00 C ATOM 0 H ALA A 74 6.539 -2.904 -8.563 1.00 0.00 H new ATOM 0 HA ALA A 74 5.313 -5.537 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.310 -5.151 -6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.917 -4.871 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.886 -3.489 -6.348 1.00 0.00 H new ATOM 1105 N LYS A 75 3.487 -3.027 -8.798 1.00 0.00 N ATOM 1106 CA LYS A 75 2.122 -2.513 -8.829 1.00 0.00 C ATOM 1107 C LYS A 75 1.571 -2.519 -10.251 1.00 0.00 C ATOM 1108 O LYS A 75 0.380 -2.294 -10.467 1.00 0.00 O ATOM 1109 CB LYS A 75 2.077 -1.094 -8.258 1.00 0.00 C ATOM 1110 CG LYS A 75 3.099 -0.157 -8.878 1.00 0.00 C ATOM 1111 CD LYS A 75 2.549 0.528 -10.118 1.00 0.00 C ATOM 1112 CE LYS A 75 1.420 1.486 -9.771 1.00 0.00 C ATOM 1113 NZ LYS A 75 1.206 2.502 -10.839 1.00 0.00 N ATOM 0 H LYS A 75 4.147 -2.504 -9.374 1.00 0.00 H new ATOM 0 HA LYS A 75 1.500 -3.165 -8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.079 -0.682 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.243 -1.139 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.395 0.595 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.997 -0.718 -9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.349 1.073 -10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.187 -0.223 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.500 0.922 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.647 1.989 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.428 3.136 -10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.076 3.057 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.964 2.023 -11.730 1.00 0.00 H new ATOM 1127 N VAL A 76 2.445 -2.778 -11.219 1.00 0.00 N ATOM 1128 CA VAL A 76 2.045 -2.815 -12.620 1.00 0.00 C ATOM 1129 C VAL A 76 0.896 -3.794 -12.838 1.00 0.00 C ATOM 1130 O VAL A 76 -0.201 -3.402 -13.237 1.00 0.00 O ATOM 1131 CB VAL A 76 3.222 -3.212 -13.530 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.719 -3.629 -14.904 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.218 -2.068 -13.642 1.00 0.00 C ATOM 0 H VAL A 76 3.435 -2.965 -11.058 1.00 0.00 H new ATOM 0 HA VAL A 76 1.717 -1.809 -12.882 1.00 0.00 H new ATOM 0 HB VAL A 76 3.732 -4.065 -13.083 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.565 -3.906 -15.533 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.048 -4.482 -14.802 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.183 -2.798 -15.363 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.043 -2.366 -14.289 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.722 -1.194 -14.065 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.603 -1.823 -12.652 1.00 0.00 H new ATOM 1143 N PHE A 77 1.155 -5.070 -12.573 1.00 0.00 N ATOM 1144 CA PHE A 77 0.143 -6.106 -12.740 1.00 0.00 C ATOM 1145 C PHE A 77 -1.066 -5.835 -11.849 1.00 0.00 C ATOM 1146 O PHE A 77 -2.206 -5.851 -12.311 1.00 0.00 O ATOM 1147 CB PHE A 77 0.731 -7.481 -12.416 1.00 0.00 C ATOM 1148 CG PHE A 77 0.835 -8.385 -13.610 1.00 0.00 C ATOM 1149 CD1 PHE A 77 1.358 -7.919 -14.806 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.410 -9.702 -13.538 1.00 0.00 C ATOM 1151 CE1 PHE A 77 1.455 -8.748 -15.907 1.00 0.00 C ATOM 1152 CE2 PHE A 77 0.505 -10.536 -14.636 1.00 0.00 C ATOM 1153 CZ PHE A 77 1.028 -10.059 -15.822 1.00 0.00 C ATOM 0 H PHE A 77 2.057 -5.411 -12.242 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.184 -6.094 -13.780 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.722 -7.350 -11.982 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.112 -7.962 -11.659 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.694 -6.895 -14.878 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.000 -10.081 -12.614 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.864 -8.372 -16.833 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.170 -11.560 -14.567 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.103 -10.709 -16.681 1.00 0.00 H new TER 1163 PHE A 77