USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 910 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: 1 29 SER OG : rot -130:sc= -1.19 USER MOD Set 1.2: 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 4 SER OG : rot 180:sc=-0.00485 USER MOD Single : 1 5 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 6 SER OG : rot 180:sc= 0 USER MOD Single : 1 -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 -3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 -3 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 11 THR OG1 : rot -32:sc= 0.363 USER MOD Single : 1 13 ASN : amide:sc= -0.12 K(o=-0.12,f=0.85) USER MOD Single : 1 15 TYR OH : rot 180:sc= 0 USER MOD Single : 1 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 18 SER OG : rot 180:sc= 0 USER MOD Single : 1 19 ASN : amide:sc=-0.00872 K(o=-0.0087,f=-2.1) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 MET CE :methyl 164:sc= -0.523 (180deg=-0.725) USER MOD Single : 1 31 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : 1 32 THR OG1 : rot -43:sc= -3.82! USER MOD Single : 1 33 SER OG : rot 180:sc= 0 USER MOD Single : 1 36 SER OG : rot 180:sc= 0 USER MOD Single : 1 40 TYR OH : rot -56:sc= 0.147 USER MOD Single : 1 42 SER OG : rot 180:sc= 0 USER MOD Single : 1 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 50 CYS SG : rot -155:sc= -3.12 USER MOD Single : 1 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 57 THR OG1 : rot 180:sc= 0.00897 USER MOD Single : 1 58 THR OG1 : rot -140:sc= -0.47 USER MOD Single : 1 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 61 SER OG : rot 180:sc= 0.0157 USER MOD Single : 1 68 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 74 SER OG : rot -153:sc= 0.256! USER MOD Single : 1 77 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00594) USER MOD Single : 1 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 88 SER OG : rot -45:sc= 0.515 USER MOD Single : 1 90 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 94 LYS NZ :NH3+ -107:sc= 1.06 (180deg=0.0522) USER MOD Single : 1 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 107 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 109 THR OG1 : rot 180:sc= 0.00801 USER MOD Single : 1 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 -3 10.826 35.039 27.336 1.00 0.00 N ATOM 2 CA MET 1 -3 9.390 35.416 27.289 1.00 0.00 C ATOM 3 C MET 1 -3 9.115 36.592 28.224 1.00 0.00 C ATOM 4 O MET 1 -3 9.639 36.639 29.341 1.00 0.00 O ATOM 5 CB MET 1 -3 8.523 34.213 27.677 1.00 0.00 C ATOM 6 CG MET 1 -3 7.210 34.129 26.910 1.00 0.00 C ATOM 7 SD MET 1 -3 6.260 32.645 27.306 1.00 0.00 S ATOM 8 CE MET 1 -3 7.074 31.418 26.282 1.00 0.00 C ATOM 0 H1 MET 1 -3 10.996 34.238 26.695 1.00 0.00 H new ATOM 0 H2 MET 1 -3 11.407 35.849 27.040 1.00 0.00 H new ATOM 0 H3 MET 1 -3 11.082 34.766 28.306 1.00 0.00 H new ATOM 0 HA MET 1 -3 9.140 35.720 26.273 1.00 0.00 H new ATOM 0 HB2 MET 1 -3 9.091 33.298 27.508 1.00 0.00 H new ATOM 0 HB3 MET 1 -3 8.307 34.262 28.744 1.00 0.00 H new ATOM 0 HG2 MET 1 -3 6.608 35.010 27.132 1.00 0.00 H new ATOM 0 HG3 MET 1 -3 7.418 34.147 25.840 1.00 0.00 H new ATOM 0 HE1 MET 1 -3 6.593 30.450 26.423 1.00 0.00 H new ATOM 0 HE2 MET 1 -3 7.000 31.711 25.235 1.00 0.00 H new ATOM 0 HE3 MET 1 -3 8.124 31.346 26.565 1.00 0.00 H new ATOM 20 N HIS 1 -2 8.289 37.533 27.757 1.00 0.00 N ATOM 21 CA HIS 1 -2 7.942 38.724 28.535 1.00 0.00 C ATOM 22 C HIS 1 -2 6.506 38.673 29.042 1.00 0.00 C ATOM 23 O HIS 1 -2 5.588 38.327 28.295 1.00 0.00 O ATOM 24 CB HIS 1 -2 8.138 39.985 27.691 1.00 0.00 C ATOM 25 CG HIS 1 -2 9.571 40.381 27.530 1.00 0.00 C ATOM 26 ND1 HIS 1 -2 10.322 40.053 26.420 1.00 0.00 N ATOM 27 CD2 HIS 1 -2 10.390 41.091 28.341 1.00 0.00 C ATOM 28 CE1 HIS 1 -2 11.542 40.541 26.558 1.00 0.00 C ATOM 29 NE2 HIS 1 -2 11.608 41.175 27.714 1.00 0.00 N ATOM 0 H HIS 1 -2 7.847 37.491 26.839 1.00 0.00 H new ATOM 0 HA HIS 1 -2 8.607 38.750 29.399 1.00 0.00 H new ATOM 0 HB2 HIS 1 -2 7.701 39.824 26.705 1.00 0.00 H new ATOM 0 HB3 HIS 1 -2 7.592 40.808 28.151 1.00 0.00 H new ATOM 0 HD2 HIS 1 -2 10.133 41.512 29.302 1.00 0.00 H new ATOM 0 HE1 HIS 1 -2 12.348 40.439 25.846 1.00 0.00 H new ATOM 0 HE2 HIS 1 -2 12.432 41.651 28.082 1.00 0.00 H new ATOM 38 N HIS 1 -1 6.331 39.038 30.330 1.00 0.00 N ATOM 39 CA HIS 1 -1 5.016 39.078 31.016 1.00 0.00 C ATOM 40 C HIS 1 -1 4.307 37.720 31.036 1.00 0.00 C ATOM 41 O HIS 1 -1 4.172 37.058 30.003 1.00 0.00 O ATOM 42 CB HIS 1 -1 4.094 40.139 30.393 1.00 0.00 C ATOM 43 CG HIS 1 -1 4.487 41.544 30.735 1.00 0.00 C ATOM 44 ND1 HIS 1 -1 5.417 42.264 30.015 1.00 0.00 N ATOM 45 CD2 HIS 1 -1 4.069 42.362 31.731 1.00 0.00 C ATOM 46 CE1 HIS 1 -1 5.557 43.463 30.554 1.00 0.00 C ATOM 47 NE2 HIS 1 -1 4.748 43.547 31.594 1.00 0.00 N ATOM 0 H HIS 1 -1 7.106 39.317 30.932 1.00 0.00 H new ATOM 0 HA HIS 1 -1 5.229 39.348 32.050 1.00 0.00 H new ATOM 0 HB2 HIS 1 -1 4.098 40.022 29.309 1.00 0.00 H new ATOM 0 HB3 HIS 1 -1 3.072 39.964 30.729 1.00 0.00 H new ATOM 0 HD2 HIS 1 -1 3.338 42.126 32.490 1.00 0.00 H new ATOM 0 HE1 HIS 1 -1 6.220 44.241 30.204 1.00 0.00 H new ATOM 0 HE2 HIS 1 -1 4.644 44.362 32.199 1.00 0.00 H new ATOM 56 N HIS 1 0 3.857 37.326 32.231 1.00 0.00 N ATOM 57 CA HIS 1 0 3.148 36.063 32.424 1.00 0.00 C ATOM 58 C HIS 1 0 1.711 36.314 32.870 1.00 0.00 C ATOM 59 O HIS 1 0 1.427 37.308 33.546 1.00 0.00 O ATOM 60 CB HIS 1 0 3.871 35.192 33.453 1.00 0.00 C ATOM 61 CG HIS 1 0 4.973 34.367 32.867 1.00 0.00 C ATOM 62 ND1 HIS 1 0 6.288 34.783 32.826 1.00 0.00 N ATOM 63 CD2 HIS 1 0 4.951 33.138 32.298 1.00 0.00 C ATOM 64 CE1 HIS 1 0 7.025 33.847 32.256 1.00 0.00 C ATOM 65 NE2 HIS 1 0 6.238 32.840 31.926 1.00 0.00 N ATOM 0 H HIS 1 0 3.974 37.871 33.085 1.00 0.00 H new ATOM 0 HA HIS 1 0 3.130 35.537 31.470 1.00 0.00 H new ATOM 0 HB2 HIS 1 0 4.282 35.832 34.234 1.00 0.00 H new ATOM 0 HB3 HIS 1 0 3.148 34.531 33.931 1.00 0.00 H new ATOM 0 HD2 HIS 1 0 4.083 32.510 32.162 1.00 0.00 H new ATOM 0 HE1 HIS 1 0 8.091 33.897 32.088 1.00 0.00 H new ATOM 0 HE2 HIS 1 0 6.538 31.979 31.468 1.00 0.00 H new ATOM 74 N HIS 1 1 0.813 35.403 32.485 1.00 0.00 N ATOM 75 CA HIS 1 1 -0.602 35.511 32.830 1.00 0.00 C ATOM 76 C HIS 1 1 -1.031 34.362 33.741 1.00 0.00 C ATOM 77 O HIS 1 1 -0.455 33.272 33.690 1.00 0.00 O ATOM 78 CB HIS 1 1 -1.452 35.515 31.557 1.00 0.00 C ATOM 79 CG HIS 1 1 -2.653 36.405 31.638 1.00 0.00 C ATOM 80 ND1 HIS 1 1 -3.869 35.989 32.139 1.00 0.00 N ATOM 81 CD2 HIS 1 1 -2.821 37.698 31.274 1.00 0.00 C ATOM 82 CE1 HIS 1 1 -4.733 36.988 32.079 1.00 0.00 C ATOM 83 NE2 HIS 1 1 -4.121 38.035 31.559 1.00 0.00 N ATOM 0 H HIS 1 1 1.046 34.579 31.931 1.00 0.00 H new ATOM 0 HA HIS 1 1 -0.753 36.448 33.366 1.00 0.00 H new ATOM 0 HB2 HIS 1 1 -0.832 35.831 30.718 1.00 0.00 H new ATOM 0 HB3 HIS 1 1 -1.779 34.497 31.346 1.00 0.00 H new ATOM 0 HD2 HIS 1 1 -2.072 38.344 30.840 1.00 0.00 H new ATOM 0 HE1 HIS 1 1 -5.763 36.953 32.401 1.00 0.00 H new ATOM 0 HE2 HIS 1 1 -4.545 38.948 31.395 1.00 0.00 H new ATOM 92 N HIS 1 2 -2.046 34.623 34.573 1.00 0.00 N ATOM 93 CA HIS 1 2 -2.571 33.622 35.503 1.00 0.00 C ATOM 94 C HIS 1 2 -3.826 32.962 34.939 1.00 0.00 C ATOM 95 O HIS 1 2 -4.731 33.649 34.454 1.00 0.00 O ATOM 96 CB HIS 1 2 -2.885 34.263 36.857 1.00 0.00 C ATOM 97 CG HIS 1 2 -1.667 34.573 37.674 1.00 0.00 C ATOM 98 ND1 HIS 1 2 -0.842 35.648 37.418 1.00 0.00 N ATOM 99 CD2 HIS 1 2 -1.139 33.943 38.750 1.00 0.00 C ATOM 100 CE1 HIS 1 2 0.142 35.665 38.301 1.00 0.00 C ATOM 101 NE2 HIS 1 2 -0.017 34.642 39.120 1.00 0.00 N ATOM 0 H HIS 1 2 -2.521 35.525 34.619 1.00 0.00 H new ATOM 0 HA HIS 1 2 -1.807 32.857 35.640 1.00 0.00 H new ATOM 0 HB2 HIS 1 2 -3.445 35.184 36.692 1.00 0.00 H new ATOM 0 HB3 HIS 1 2 -3.532 33.594 37.425 1.00 0.00 H new ATOM 0 HD2 HIS 1 2 -1.528 33.056 39.228 1.00 0.00 H new ATOM 0 HE1 HIS 1 2 0.940 36.392 38.345 1.00 0.00 H new ATOM 0 HE2 HIS 1 2 0.595 34.409 39.902 1.00 0.00 H new ATOM 110 N HIS 1 3 -3.865 31.629 35.010 1.00 0.00 N ATOM 111 CA HIS 1 3 -5.002 30.854 34.511 1.00 0.00 C ATOM 112 C HIS 1 3 -5.589 29.976 35.612 1.00 0.00 C ATOM 113 O HIS 1 3 -4.855 29.456 36.457 1.00 0.00 O ATOM 114 CB HIS 1 3 -4.577 29.982 33.328 1.00 0.00 C ATOM 115 CG HIS 1 3 -4.350 30.747 32.060 1.00 0.00 C ATOM 116 ND1 HIS 1 3 -5.338 30.954 31.120 1.00 0.00 N ATOM 117 CD2 HIS 1 3 -3.241 31.355 31.576 1.00 0.00 C ATOM 118 CE1 HIS 1 3 -4.846 31.652 30.113 1.00 0.00 C ATOM 119 NE2 HIS 1 3 -3.576 31.908 30.365 1.00 0.00 N ATOM 0 H HIS 1 3 -3.118 31.062 35.411 1.00 0.00 H new ATOM 0 HA HIS 1 3 -5.767 31.557 34.181 1.00 0.00 H new ATOM 0 HB2 HIS 1 3 -3.661 29.453 33.590 1.00 0.00 H new ATOM 0 HB3 HIS 1 3 -5.343 29.226 33.153 1.00 0.00 H new ATOM 0 HD2 HIS 1 3 -2.273 31.397 32.054 1.00 0.00 H new ATOM 0 HE1 HIS 1 3 -5.390 31.961 29.233 1.00 0.00 H new ATOM 0 HE2 HIS 1 3 -2.945 32.432 29.758 1.00 0.00 H new ATOM 128 N SER 1 4 -6.916 29.821 35.587 1.00 0.00 N ATOM 129 CA SER 1 4 -7.630 29.002 36.570 1.00 0.00 C ATOM 130 C SER 1 4 -8.140 27.709 35.926 1.00 0.00 C ATOM 131 O SER 1 4 -7.884 26.614 36.436 1.00 0.00 O ATOM 132 CB SER 1 4 -8.789 29.797 37.185 1.00 0.00 C ATOM 133 OG SER 1 4 -9.644 30.319 36.180 1.00 0.00 O ATOM 0 H SER 1 4 -7.521 30.256 34.891 1.00 0.00 H new ATOM 0 HA SER 1 4 -6.936 28.733 37.367 1.00 0.00 H new ATOM 0 HB2 SER 1 4 -9.360 29.153 37.854 1.00 0.00 H new ATOM 0 HB3 SER 1 4 -8.393 30.613 37.789 1.00 0.00 H new ATOM 0 HG SER 1 4 -10.375 30.819 36.600 1.00 0.00 H new ATOM 139 N THR 1 5 -8.862 27.851 34.806 1.00 0.00 N ATOM 140 CA THR 1 5 -9.404 26.706 34.070 1.00 0.00 C ATOM 141 C THR 1 5 -8.598 26.465 32.782 1.00 0.00 C ATOM 142 O THR 1 5 -8.744 27.197 31.797 1.00 0.00 O ATOM 143 CB THR 1 5 -10.931 26.873 33.767 1.00 0.00 C ATOM 144 OG1 THR 1 5 -11.399 25.798 32.941 1.00 0.00 O ATOM 145 CG2 THR 1 5 -11.264 28.210 33.095 1.00 0.00 C ATOM 0 H THR 1 5 -9.084 28.755 34.390 1.00 0.00 H new ATOM 0 HA THR 1 5 -9.306 25.826 34.706 1.00 0.00 H new ATOM 0 HB THR 1 5 -11.438 26.854 34.732 1.00 0.00 H new ATOM 0 HG1 THR 1 5 -12.355 25.916 32.762 1.00 0.00 H new ATOM 0 HG21 THR 1 5 -12.337 28.267 32.910 1.00 0.00 H new ATOM 0 HG22 THR 1 5 -10.964 29.030 33.748 1.00 0.00 H new ATOM 0 HG23 THR 1 5 -10.728 28.285 32.149 1.00 0.00 H new ATOM 153 N SER 1 6 -7.738 25.443 32.816 1.00 0.00 N ATOM 154 CA SER 1 6 -6.888 25.100 31.674 1.00 0.00 C ATOM 155 C SER 1 6 -7.424 23.893 30.909 1.00 0.00 C ATOM 156 O SER 1 6 -7.915 22.933 31.511 1.00 0.00 O ATOM 157 CB SER 1 6 -5.461 24.818 32.145 1.00 0.00 C ATOM 158 OG SER 1 6 -4.918 25.934 32.826 1.00 0.00 O ATOM 0 H SER 1 6 -7.612 24.837 33.627 1.00 0.00 H new ATOM 0 HA SER 1 6 -6.890 25.955 30.997 1.00 0.00 H new ATOM 0 HB2 SER 1 6 -5.457 23.949 32.804 1.00 0.00 H new ATOM 0 HB3 SER 1 6 -4.834 24.571 31.288 1.00 0.00 H new ATOM 0 HG SER 1 6 -4.006 25.727 33.118 1.00 0.00 H new ATOM 164 N VAL 1 7 -7.322 23.961 29.577 1.00 0.00 N ATOM 165 CA VAL 1 7 -7.771 22.878 28.693 1.00 0.00 C ATOM 166 C VAL 1 7 -6.558 22.048 28.256 1.00 0.00 C ATOM 167 O VAL 1 7 -5.534 22.608 27.852 1.00 0.00 O ATOM 168 CB VAL 1 7 -8.522 23.420 27.436 1.00 0.00 C ATOM 169 CG1 VAL 1 7 -9.245 22.300 26.690 1.00 0.00 C ATOM 170 CG2 VAL 1 7 -9.519 24.515 27.810 1.00 0.00 C ATOM 0 H VAL 1 7 -6.929 24.762 29.083 1.00 0.00 H new ATOM 0 HA VAL 1 7 -8.474 22.258 29.250 1.00 0.00 H new ATOM 0 HB VAL 1 7 -7.765 23.846 26.777 1.00 0.00 H new ATOM 0 HG11 VAL 1 7 -9.757 22.713 25.821 1.00 0.00 H new ATOM 0 HG12 VAL 1 7 -8.521 21.554 26.364 1.00 0.00 H new ATOM 0 HG13 VAL 1 7 -9.974 21.833 27.352 1.00 0.00 H new ATOM 0 HG21 VAL 1 7 -10.024 24.870 26.911 1.00 0.00 H new ATOM 0 HG22 VAL 1 7 -10.256 24.114 28.506 1.00 0.00 H new ATOM 0 HG23 VAL 1 7 -8.990 25.344 28.280 1.00 0.00 H new ATOM 180 N ASP 1 8 -6.686 20.718 28.339 1.00 0.00 N ATOM 181 CA ASP 1 8 -5.599 19.799 27.971 1.00 0.00 C ATOM 182 C ASP 1 8 -5.572 19.514 26.467 1.00 0.00 C ATOM 183 O ASP 1 8 -6.554 19.029 25.895 1.00 0.00 O ATOM 184 CB ASP 1 8 -5.725 18.486 28.749 1.00 0.00 C ATOM 185 CG ASP 1 8 -5.335 18.635 30.206 1.00 0.00 C ATOM 186 OD1 ASP 1 8 -6.235 18.866 31.041 1.00 0.00 O ATOM 187 OD2 ASP 1 8 -4.129 18.522 30.513 1.00 0.00 O ATOM 0 H ASP 1 8 -7.535 20.252 28.659 1.00 0.00 H new ATOM 0 HA ASP 1 8 -4.660 20.288 28.233 1.00 0.00 H new ATOM 0 HB2 ASP 1 8 -6.752 18.127 28.686 1.00 0.00 H new ATOM 0 HB3 ASP 1 8 -5.094 17.729 28.283 1.00 0.00 H new ATOM 192 N LEU 1 9 -4.431 19.830 25.840 1.00 0.00 N ATOM 193 CA LEU 1 9 -4.228 19.607 24.405 1.00 0.00 C ATOM 194 C LEU 1 9 -3.527 18.269 24.165 1.00 0.00 C ATOM 195 O LEU 1 9 -2.803 17.780 25.041 1.00 0.00 O ATOM 196 CB LEU 1 9 -3.402 20.756 23.805 1.00 0.00 C ATOM 197 CG LEU 1 9 -3.857 21.252 22.423 1.00 0.00 C ATOM 198 CD1 LEU 1 9 -5.045 22.202 22.548 1.00 0.00 C ATOM 199 CD2 LEU 1 9 -2.710 21.941 21.696 1.00 0.00 C ATOM 0 H LEU 1 9 -3.627 20.245 26.312 1.00 0.00 H new ATOM 0 HA LEU 1 9 -5.201 19.579 23.915 1.00 0.00 H new ATOM 0 HB2 LEU 1 9 -3.425 21.597 24.498 1.00 0.00 H new ATOM 0 HB3 LEU 1 9 -2.364 20.433 23.731 1.00 0.00 H new ATOM 0 HG LEU 1 9 -4.169 20.384 21.842 1.00 0.00 H new ATOM 0 HD11 LEU 1 9 -5.348 22.539 21.556 1.00 0.00 H new ATOM 0 HD12 LEU 1 9 -5.877 21.684 23.025 1.00 0.00 H new ATOM 0 HD13 LEU 1 9 -4.760 23.063 23.152 1.00 0.00 H new ATOM 0 HD21 LEU 1 9 -3.052 22.285 20.720 1.00 0.00 H new ATOM 0 HD22 LEU 1 9 -2.368 22.794 22.282 1.00 0.00 H new ATOM 0 HD23 LEU 1 9 -1.888 21.238 21.565 1.00 0.00 H new ATOM 211 N GLY 1 10 -3.746 17.679 22.983 1.00 0.00 N ATOM 212 CA GLY 1 10 -3.135 16.398 22.658 1.00 0.00 C ATOM 213 C GLY 1 10 -2.744 16.279 21.199 1.00 0.00 C ATOM 214 O GLY 1 10 -3.419 15.593 20.426 1.00 0.00 O ATOM 0 H GLY 1 10 -4.336 18.068 22.248 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 -2.250 16.257 23.278 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 -3.830 15.597 22.908 1.00 0.00 H new ATOM 218 N THR 1 11 -1.650 16.950 20.827 1.00 0.00 N ATOM 219 CA THR 1 11 -1.142 16.921 19.450 1.00 0.00 C ATOM 220 C THR 1 11 0.387 16.743 19.421 1.00 0.00 C ATOM 221 O THR 1 11 0.966 16.504 18.356 1.00 0.00 O ATOM 222 CB THR 1 11 -1.565 18.189 18.641 1.00 0.00 C ATOM 223 OG1 THR 1 11 -0.980 18.166 17.332 1.00 0.00 O ATOM 224 CG2 THR 1 11 -1.184 19.496 19.344 1.00 0.00 C ATOM 0 H THR 1 11 -1.096 17.523 21.463 1.00 0.00 H new ATOM 0 HA THR 1 11 -1.596 16.057 18.965 1.00 0.00 H new ATOM 0 HB THR 1 11 -2.652 18.159 18.566 1.00 0.00 H new ATOM 0 HG1 THR 1 11 -0.112 17.712 17.369 1.00 0.00 H new ATOM 0 HG21 THR 1 11 -1.503 20.343 18.736 1.00 0.00 H new ATOM 0 HG22 THR 1 11 -1.675 19.543 20.316 1.00 0.00 H new ATOM 0 HG23 THR 1 11 -0.103 19.534 19.481 1.00 0.00 H new ATOM 232 N GLU 1 12 1.023 16.857 20.596 1.00 0.00 N ATOM 233 CA GLU 1 12 2.475 16.712 20.721 1.00 0.00 C ATOM 234 C GLU 1 12 2.862 15.281 21.106 1.00 0.00 C ATOM 235 O GLU 1 12 3.749 14.679 20.494 1.00 0.00 O ATOM 236 CB GLU 1 12 3.034 17.751 21.722 1.00 0.00 C ATOM 237 CG GLU 1 12 2.458 17.676 23.136 1.00 0.00 C ATOM 238 CD GLU 1 12 3.090 18.679 24.079 1.00 0.00 C ATOM 239 OE1 GLU 1 12 2.452 19.716 24.356 1.00 0.00 O ATOM 240 OE2 GLU 1 12 4.222 18.427 24.543 1.00 0.00 O ATOM 0 H GLU 1 12 0.548 17.051 21.477 1.00 0.00 H new ATOM 0 HA GLU 1 12 2.927 16.908 19.748 1.00 0.00 H new ATOM 0 HB2 GLU 1 12 4.115 17.628 21.782 1.00 0.00 H new ATOM 0 HB3 GLU 1 12 2.849 18.749 21.325 1.00 0.00 H new ATOM 0 HG2 GLU 1 12 1.383 17.849 23.095 1.00 0.00 H new ATOM 0 HG3 GLU 1 12 2.604 16.670 23.531 1.00 0.00 H new ATOM 247 N ASN 1 13 2.191 14.767 22.132 1.00 0.00 N ATOM 248 CA ASN 1 13 2.400 13.411 22.642 1.00 0.00 C ATOM 249 C ASN 1 13 1.663 12.355 21.786 1.00 0.00 C ATOM 250 O ASN 1 13 1.409 11.234 22.243 1.00 0.00 O ATOM 251 CB ASN 1 13 1.930 13.365 24.100 1.00 0.00 C ATOM 252 CG ASN 1 13 2.624 12.337 24.932 1.00 0.00 C ATOM 253 OD1 ASN 1 13 2.888 11.212 24.504 1.00 0.00 O ATOM 254 ND2 ASN 1 13 2.929 12.744 26.141 1.00 0.00 N ATOM 0 H ASN 1 13 1.476 15.286 22.642 1.00 0.00 H new ATOM 0 HA ASN 1 13 3.461 13.167 22.585 1.00 0.00 H new ATOM 0 HB2 ASN 1 13 2.083 14.346 24.551 1.00 0.00 H new ATOM 0 HB3 ASN 1 13 0.858 13.169 24.119 1.00 0.00 H new ATOM 0 HD21 ASN 1 13 3.411 12.116 26.784 1.00 0.00 H new ATOM 0 HD22 ASN 1 13 2.684 13.688 26.438 1.00 0.00 H new ATOM 261 N LEU 1 14 1.338 12.726 20.534 1.00 0.00 N ATOM 262 CA LEU 1 14 0.627 11.843 19.602 1.00 0.00 C ATOM 263 C LEU 1 14 1.555 10.782 19.010 1.00 0.00 C ATOM 264 O LEU 1 14 2.758 11.012 18.852 1.00 0.00 O ATOM 265 CB LEU 1 14 -0.005 12.668 18.472 1.00 0.00 C ATOM 266 CG LEU 1 14 -1.254 12.056 17.818 1.00 0.00 C ATOM 267 CD1 LEU 1 14 -2.509 12.393 18.615 1.00 0.00 C ATOM 268 CD2 LEU 1 14 -1.391 12.538 16.381 1.00 0.00 C ATOM 0 H LEU 1 14 1.561 13.642 20.145 1.00 0.00 H new ATOM 0 HA LEU 1 14 -0.155 11.331 20.163 1.00 0.00 H new ATOM 0 HB2 LEU 1 14 -0.268 13.649 18.867 1.00 0.00 H new ATOM 0 HB3 LEU 1 14 0.747 12.827 17.699 1.00 0.00 H new ATOM 0 HG LEU 1 14 -1.137 10.972 17.813 1.00 0.00 H new ATOM 0 HD11 LEU 1 14 -3.378 11.948 18.131 1.00 0.00 H new ATOM 0 HD12 LEU 1 14 -2.415 11.997 19.626 1.00 0.00 H new ATOM 0 HD13 LEU 1 14 -2.633 13.475 18.659 1.00 0.00 H new ATOM 0 HD21 LEU 1 14 -2.280 12.096 15.932 1.00 0.00 H new ATOM 0 HD22 LEU 1 14 -1.480 13.624 16.369 1.00 0.00 H new ATOM 0 HD23 LEU 1 14 -0.511 12.240 15.812 1.00 0.00 H new ATOM 280 N TYR 1 15 0.965 9.632 18.661 1.00 0.00 N ATOM 281 CA TYR 1 15 1.706 8.501 18.090 1.00 0.00 C ATOM 282 C TYR 1 15 1.851 8.637 16.573 1.00 0.00 C ATOM 283 O TYR 1 15 0.878 8.935 15.874 1.00 0.00 O ATOM 284 CB TYR 1 15 0.999 7.185 18.428 1.00 0.00 C ATOM 285 CG TYR 1 15 1.138 6.786 19.881 1.00 0.00 C ATOM 286 CD1 TYR 1 15 2.194 5.988 20.301 1.00 0.00 C ATOM 287 CD2 TYR 1 15 0.224 7.220 20.832 1.00 0.00 C ATOM 288 CE1 TYR 1 15 2.335 5.635 21.629 1.00 0.00 C ATOM 289 CE2 TYR 1 15 0.357 6.868 22.161 1.00 0.00 C ATOM 290 CZ TYR 1 15 1.415 6.077 22.555 1.00 0.00 C ATOM 291 OH TYR 1 15 1.552 5.728 23.878 1.00 0.00 O ATOM 0 H TYR 1 15 -0.035 9.460 18.766 1.00 0.00 H new ATOM 0 HA TYR 1 15 2.704 8.501 18.527 1.00 0.00 H new ATOM 0 HB2 TYR 1 15 -0.059 7.276 18.183 1.00 0.00 H new ATOM 0 HB3 TYR 1 15 1.404 6.391 17.800 1.00 0.00 H new ATOM 0 HD1 TYR 1 15 2.916 5.638 19.578 1.00 0.00 H new ATOM 0 HD2 TYR 1 15 -0.604 7.843 20.528 1.00 0.00 H new ATOM 0 HE1 TYR 1 15 3.163 5.015 21.940 1.00 0.00 H new ATOM 0 HE2 TYR 1 15 -0.364 7.211 22.888 1.00 0.00 H new ATOM 0 HH TYR 1 15 0.821 6.123 24.398 1.00 0.00 H new ATOM 301 N PHE 1 16 3.084 8.448 16.085 1.00 0.00 N ATOM 302 CA PHE 1 16 3.403 8.527 14.663 1.00 0.00 C ATOM 303 C PHE 1 16 4.515 7.524 14.325 1.00 0.00 C ATOM 304 O PHE 1 16 5.557 7.880 13.759 1.00 0.00 O ATOM 305 CB PHE 1 16 3.814 9.963 14.288 1.00 0.00 C ATOM 306 CG PHE 1 16 3.390 10.366 12.905 1.00 0.00 C ATOM 307 CD1 PHE 1 16 4.226 10.158 11.820 1.00 0.00 C ATOM 308 CD2 PHE 1 16 2.148 10.944 12.689 1.00 0.00 C ATOM 309 CE1 PHE 1 16 3.831 10.518 10.546 1.00 0.00 C ATOM 310 CE2 PHE 1 16 1.749 11.306 11.417 1.00 0.00 C ATOM 311 CZ PHE 1 16 2.592 11.093 10.343 1.00 0.00 C ATOM 0 H PHE 1 16 3.889 8.235 16.673 1.00 0.00 H new ATOM 0 HA PHE 1 16 2.519 8.270 14.079 1.00 0.00 H new ATOM 0 HB2 PHE 1 16 3.381 10.656 15.009 1.00 0.00 H new ATOM 0 HB3 PHE 1 16 4.897 10.055 14.369 1.00 0.00 H new ATOM 0 HD1 PHE 1 16 5.197 9.710 11.972 1.00 0.00 H new ATOM 0 HD2 PHE 1 16 1.485 11.113 13.525 1.00 0.00 H new ATOM 0 HE1 PHE 1 16 4.492 10.350 9.708 1.00 0.00 H new ATOM 0 HE2 PHE 1 16 0.779 11.755 11.262 1.00 0.00 H new ATOM 0 HZ PHE 1 16 2.283 11.375 9.348 1.00 0.00 H new ATOM 321 N GLN 1 17 4.256 6.251 14.655 1.00 0.00 N ATOM 322 CA GLN 1 17 5.214 5.157 14.437 1.00 0.00 C ATOM 323 C GLN 1 17 5.119 4.583 13.023 1.00 0.00 C ATOM 324 O GLN 1 17 4.025 4.276 12.539 1.00 0.00 O ATOM 325 CB GLN 1 17 4.978 4.041 15.460 1.00 0.00 C ATOM 326 CG GLN 1 17 5.376 4.415 16.882 1.00 0.00 C ATOM 327 CD GLN 1 17 5.030 3.334 17.886 1.00 0.00 C ATOM 328 OE1 GLN 1 17 5.829 2.436 18.152 1.00 0.00 O ATOM 329 NE2 GLN 1 17 3.833 3.419 18.456 1.00 0.00 N ATOM 0 H GLN 1 17 3.379 5.951 15.080 1.00 0.00 H new ATOM 0 HA GLN 1 17 6.214 5.572 14.562 1.00 0.00 H new ATOM 0 HB2 GLN 1 17 3.923 3.767 15.448 1.00 0.00 H new ATOM 0 HB3 GLN 1 17 5.540 3.158 15.156 1.00 0.00 H new ATOM 0 HG2 GLN 1 17 6.448 4.608 16.917 1.00 0.00 H new ATOM 0 HG3 GLN 1 17 4.876 5.341 17.164 1.00 0.00 H new ATOM 0 HE21 GLN 1 17 3.202 4.180 18.206 1.00 0.00 H new ATOM 0 HE22 GLN 1 17 3.545 2.723 19.144 1.00 0.00 H new ATOM 338 N SER 1 18 6.281 4.455 12.374 1.00 0.00 N ATOM 339 CA SER 1 18 6.373 3.911 11.019 1.00 0.00 C ATOM 340 C SER 1 18 6.901 2.478 11.044 1.00 0.00 C ATOM 341 O SER 1 18 7.774 2.149 11.852 1.00 0.00 O ATOM 342 CB SER 1 18 7.289 4.780 10.156 1.00 0.00 C ATOM 343 OG SER 1 18 6.739 6.071 9.964 1.00 0.00 O ATOM 0 H SER 1 18 7.180 4.725 12.773 1.00 0.00 H new ATOM 0 HA SER 1 18 5.371 3.909 10.589 1.00 0.00 H new ATOM 0 HB2 SER 1 18 8.267 4.865 10.631 1.00 0.00 H new ATOM 0 HB3 SER 1 18 7.445 4.301 9.189 1.00 0.00 H new ATOM 0 HG SER 1 18 7.346 6.606 9.411 1.00 0.00 H new ATOM 349 N ASN 1 19 6.363 1.633 10.158 1.00 0.00 N ATOM 350 CA ASN 1 19 6.784 0.233 10.069 1.00 0.00 C ATOM 351 C ASN 1 19 7.615 -0.001 8.805 1.00 0.00 C ATOM 352 O ASN 1 19 8.771 -0.418 8.895 1.00 0.00 O ATOM 353 CB ASN 1 19 5.567 -0.707 10.102 1.00 0.00 C ATOM 354 CG ASN 1 19 4.890 -0.766 11.436 1.00 0.00 C ATOM 355 OD1 ASN 1 19 4.798 0.218 12.172 1.00 0.00 O ATOM 356 ND2 ASN 1 19 4.408 -1.948 11.745 1.00 0.00 N ATOM 0 H ASN 1 19 5.635 1.895 9.493 1.00 0.00 H new ATOM 0 HA ASN 1 19 7.408 0.010 10.935 1.00 0.00 H new ATOM 0 HB2 ASN 1 19 4.846 -0.381 9.352 1.00 0.00 H new ATOM 0 HB3 ASN 1 19 5.886 -1.711 9.821 1.00 0.00 H new ATOM 0 HD21 ASN 1 19 3.928 -2.086 12.634 1.00 0.00 H new ATOM 0 HD22 ASN 1 19 4.514 -2.728 11.096 1.00 0.00 H new ATOM 363 N ALA 1 20 7.017 0.300 7.626 1.00 0.00 N ATOM 364 CA ALA 1 20 7.656 0.143 6.296 1.00 0.00 C ATOM 365 C ALA 1 20 8.269 -1.244 6.072 1.00 0.00 C ATOM 366 O ALA 1 20 9.136 -1.689 6.830 1.00 0.00 O ATOM 367 CB ALA 1 20 8.698 1.234 6.069 1.00 0.00 C ATOM 0 H ALA 1 20 6.065 0.663 7.572 1.00 0.00 H new ATOM 0 HA ALA 1 20 6.858 0.246 5.560 1.00 0.00 H new ATOM 0 HB1 ALA 1 20 9.155 1.102 5.088 1.00 0.00 H new ATOM 0 HB2 ALA 1 20 8.218 2.211 6.117 1.00 0.00 H new ATOM 0 HB3 ALA 1 20 9.466 1.169 6.839 1.00 0.00 H new ATOM 373 N GLY 1 21 7.810 -1.904 5.008 1.00 0.00 N ATOM 374 CA GLY 1 21 8.297 -3.233 4.669 1.00 0.00 C ATOM 375 C GLY 1 21 7.278 -4.061 3.906 1.00 0.00 C ATOM 376 O GLY 1 21 7.512 -5.246 3.647 1.00 0.00 O ATOM 0 H GLY 1 21 7.103 -1.537 4.370 1.00 0.00 H new ATOM 0 HA2 GLY 1 21 9.203 -3.140 4.070 1.00 0.00 H new ATOM 0 HA3 GLY 1 21 8.572 -3.758 5.584 1.00 0.00 H new ATOM 380 N LYS 1 22 6.147 -3.438 3.552 1.00 0.00 N ATOM 381 CA LYS 1 22 5.081 -4.118 2.809 1.00 0.00 C ATOM 382 C LYS 1 22 5.264 -3.950 1.291 1.00 0.00 C ATOM 383 O LYS 1 22 6.153 -3.218 0.843 1.00 0.00 O ATOM 384 CB LYS 1 22 3.694 -3.629 3.279 1.00 0.00 C ATOM 385 CG LYS 1 22 3.385 -2.167 2.986 1.00 0.00 C ATOM 386 CD LYS 1 22 2.446 -1.582 4.026 1.00 0.00 C ATOM 387 CE LYS 1 22 2.052 -0.155 3.685 1.00 0.00 C ATOM 388 NZ LYS 1 22 1.091 0.405 4.676 1.00 0.00 N ATOM 0 H LYS 1 22 5.947 -2.462 3.769 1.00 0.00 H new ATOM 0 HA LYS 1 22 5.144 -5.186 3.020 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 2.930 -4.246 2.806 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 3.615 -3.791 4.354 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 4.312 -1.594 2.967 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 2.936 -2.079 1.997 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 1.551 -2.200 4.097 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 2.927 -1.603 5.004 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 2.944 0.470 3.651 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 1.606 -0.129 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 0.846 1.380 4.409 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 0.229 -0.177 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 1.526 0.403 5.621 1.00 0.00 H new ATOM 402 N MET 1 23 4.416 -4.635 0.519 1.00 0.00 N ATOM 403 CA MET 1 23 4.455 -4.599 -0.907 1.00 0.00 C ATOM 404 C MET 1 23 3.116 -4.147 -1.478 1.00 0.00 C ATOM 405 O MET 1 23 2.064 -4.316 -0.866 1.00 0.00 O ATOM 406 CB MET 1 23 4.841 -5.973 -1.442 1.00 0.00 C ATOM 407 CG MET 1 23 6.344 -6.151 -1.615 1.00 0.00 C ATOM 408 SD MET 1 23 6.781 -7.646 -2.526 1.00 0.00 S ATOM 409 CE MET 1 23 7.180 -6.960 -4.133 1.00 0.00 C ATOM 0 H MET 1 23 3.680 -5.233 0.894 1.00 0.00 H new ATOM 0 HA MET 1 23 5.206 -3.874 -1.222 1.00 0.00 H new ATOM 0 HB2 MET 1 23 4.467 -6.738 -0.762 1.00 0.00 H new ATOM 0 HB3 MET 1 23 4.350 -6.133 -2.402 1.00 0.00 H new ATOM 0 HG2 MET 1 23 6.749 -5.284 -2.137 1.00 0.00 H new ATOM 0 HG3 MET 1 23 6.816 -6.181 -0.633 1.00 0.00 H new ATOM 0 HE1 MET 1 23 7.732 -7.697 -4.716 1.00 0.00 H new ATOM 0 HE2 MET 1 23 6.260 -6.699 -4.656 1.00 0.00 H new ATOM 0 HE3 MET 1 23 7.791 -6.066 -4.006 1.00 0.00 H new ATOM 419 N PHE 1 24 3.220 -3.555 -2.646 1.00 0.00 N ATOM 420 CA PHE 1 24 2.112 -3.011 -3.422 1.00 0.00 C ATOM 421 C PHE 1 24 1.837 -3.974 -4.585 1.00 0.00 C ATOM 422 O PHE 1 24 2.626 -4.063 -5.534 1.00 0.00 O ATOM 423 CB PHE 1 24 2.516 -1.613 -3.955 1.00 0.00 C ATOM 424 CG PHE 1 24 1.410 -0.734 -4.526 1.00 0.00 C ATOM 425 CD1 PHE 1 24 1.630 0.629 -4.668 1.00 0.00 C ATOM 426 CD2 PHE 1 24 0.177 -1.245 -4.918 1.00 0.00 C ATOM 427 CE1 PHE 1 24 0.652 1.458 -5.183 1.00 0.00 C ATOM 428 CE2 PHE 1 24 -0.800 -0.417 -5.431 1.00 0.00 C ATOM 429 CZ PHE 1 24 -0.563 0.934 -5.565 1.00 0.00 C ATOM 0 H PHE 1 24 4.120 -3.430 -3.109 1.00 0.00 H new ATOM 0 HA PHE 1 24 1.213 -2.906 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE 1 24 2.994 -1.067 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE 1 24 3.269 -1.753 -4.730 1.00 0.00 H new ATOM 0 HD1 PHE 1 24 2.580 1.048 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE 1 24 -0.018 -2.303 -4.820 1.00 0.00 H new ATOM 0 HE1 PHE 1 24 0.840 2.516 -5.286 1.00 0.00 H new ATOM 0 HE2 PHE 1 24 -1.753 -0.829 -5.728 1.00 0.00 H new ATOM 0 HZ PHE 1 24 -1.328 1.580 -5.969 1.00 0.00 H new ATOM 439 N ILE 1 25 0.735 -4.707 -4.487 1.00 0.00 N ATOM 440 CA ILE 1 25 0.341 -5.678 -5.484 1.00 0.00 C ATOM 441 C ILE 1 25 -0.657 -5.060 -6.460 1.00 0.00 C ATOM 442 O ILE 1 25 -1.757 -4.665 -6.073 1.00 0.00 O ATOM 443 CB ILE 1 25 -0.282 -6.917 -4.822 1.00 0.00 C ATOM 444 CG1 ILE 1 25 0.183 -7.089 -3.344 1.00 0.00 C ATOM 445 CG2 ILE 1 25 -0.020 -8.174 -5.658 1.00 0.00 C ATOM 446 CD1 ILE 1 25 1.658 -7.438 -3.128 1.00 0.00 C ATOM 0 H ILE 1 25 0.087 -4.639 -3.702 1.00 0.00 H new ATOM 0 HA ILE 1 25 1.234 -5.984 -6.029 1.00 0.00 H new ATOM 0 HB ILE 1 25 -1.361 -6.764 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE 1 25 -0.030 -6.163 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE 1 25 -0.423 -7.870 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE 1 25 -0.471 -9.037 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE 1 25 -0.457 -8.050 -6.649 1.00 0.00 H new ATOM 0 HG23 ILE 1 25 1.055 -8.331 -5.752 1.00 0.00 H new ATOM 0 HD11 ILE 1 25 1.857 -7.531 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE 1 25 1.885 -8.382 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE 1 25 2.284 -6.650 -3.547 1.00 0.00 H new ATOM 458 N GLY 1 26 -0.239 -4.975 -7.716 1.00 0.00 N ATOM 459 CA GLY 1 26 -1.063 -4.395 -8.754 1.00 0.00 C ATOM 460 C GLY 1 26 -1.622 -5.381 -9.752 1.00 0.00 C ATOM 461 O GLY 1 26 -1.160 -6.515 -9.847 1.00 0.00 O ATOM 0 H GLY 1 26 0.672 -5.304 -8.036 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 -1.893 -3.866 -8.285 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 -0.474 -3.652 -9.291 1.00 0.00 H new ATOM 465 N GLY 1 27 -2.670 -4.933 -10.456 1.00 0.00 N ATOM 466 CA GLY 1 27 -3.320 -5.721 -11.504 1.00 0.00 C ATOM 467 C GLY 1 27 -4.107 -6.930 -11.014 1.00 0.00 C ATOM 468 O GLY 1 27 -4.372 -7.839 -11.805 1.00 0.00 O ATOM 0 H GLY 1 27 -3.089 -4.014 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY 1 27 -3.994 -5.070 -12.060 1.00 0.00 H new ATOM 0 HA3 GLY 1 27 -2.558 -6.063 -12.204 1.00 0.00 H new ATOM 472 N LEU 1 28 -4.505 -6.936 -9.726 1.00 0.00 N ATOM 473 CA LEU 1 28 -5.260 -8.046 -9.126 1.00 0.00 C ATOM 474 C LEU 1 28 -6.535 -8.359 -9.934 1.00 0.00 C ATOM 475 O LEU 1 28 -6.933 -7.571 -10.799 1.00 0.00 O ATOM 476 CB LEU 1 28 -5.643 -7.700 -7.674 1.00 0.00 C ATOM 477 CG LEU 1 28 -4.487 -7.327 -6.730 1.00 0.00 C ATOM 478 CD1 LEU 1 28 -5.031 -6.657 -5.481 1.00 0.00 C ATOM 479 CD2 LEU 1 28 -3.671 -8.555 -6.343 1.00 0.00 C ATOM 0 H LEU 1 28 -4.311 -6.173 -9.077 1.00 0.00 H new ATOM 0 HA LEU 1 28 -4.621 -8.929 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU 1 28 -6.348 -6.869 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU 1 28 -6.170 -8.553 -7.247 1.00 0.00 H new ATOM 0 HG LEU 1 28 -3.831 -6.635 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU 1 28 -4.205 -6.397 -4.819 1.00 0.00 H new ATOM 0 HD12 LEU 1 28 -5.572 -5.753 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU 1 28 -5.707 -7.340 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU 1 28 -2.862 -8.259 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU 1 28 -4.314 -9.274 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU 1 28 -3.253 -9.011 -7.240 1.00 0.00 H new ATOM 491 N SER 1 29 -7.185 -9.484 -9.625 1.00 0.00 N ATOM 492 CA SER 1 29 -8.371 -9.907 -10.325 1.00 0.00 C ATOM 493 C SER 1 29 -9.618 -9.573 -9.512 1.00 0.00 C ATOM 494 O SER 1 29 -9.540 -9.140 -8.358 1.00 0.00 O ATOM 495 CB SER 1 29 -8.282 -11.414 -10.606 1.00 0.00 C ATOM 496 OG SER 1 29 -9.182 -11.795 -11.631 1.00 0.00 O ATOM 0 H SER 1 29 -6.893 -10.118 -8.881 1.00 0.00 H new ATOM 0 HA SER 1 29 -8.443 -9.375 -11.274 1.00 0.00 H new ATOM 0 HB2 SER 1 29 -7.264 -11.673 -10.897 1.00 0.00 H new ATOM 0 HB3 SER 1 29 -8.505 -11.971 -9.696 1.00 0.00 H new ATOM 0 HG SER 1 29 -9.708 -12.567 -11.334 1.00 0.00 H new ATOM 502 N TRP 1 30 -10.755 -9.819 -10.136 1.00 0.00 N ATOM 503 CA TRP 1 30 -12.078 -9.580 -9.577 1.00 0.00 C ATOM 504 C TRP 1 30 -12.417 -10.602 -8.480 1.00 0.00 C ATOM 505 O TRP 1 30 -13.338 -10.401 -7.683 1.00 0.00 O ATOM 506 CB TRP 1 30 -13.110 -9.670 -10.722 1.00 0.00 C ATOM 507 CG TRP 1 30 -13.190 -11.029 -11.396 1.00 0.00 C ATOM 508 CD1 TRP 1 30 -12.147 -11.747 -11.908 1.00 0.00 C ATOM 509 CD2 TRP 1 30 -14.366 -11.826 -11.630 1.00 0.00 C ATOM 510 NE1 TRP 1 30 -12.587 -12.936 -12.410 1.00 0.00 N ATOM 511 CE2 TRP 1 30 -13.940 -13.008 -12.265 1.00 0.00 C ATOM 512 CE3 TRP 1 30 -15.731 -11.666 -11.361 1.00 0.00 C ATOM 513 CZ2 TRP 1 30 -14.817 -14.017 -12.636 1.00 0.00 C ATOM 514 CZ3 TRP 1 30 -16.606 -12.671 -11.733 1.00 0.00 C ATOM 515 CH2 TRP 1 30 -16.145 -13.834 -12.365 1.00 0.00 C ATOM 0 H TRP 1 30 -10.787 -10.205 -11.080 1.00 0.00 H new ATOM 0 HA TRP 1 30 -12.100 -8.591 -9.118 1.00 0.00 H new ATOM 0 HB2 TRP 1 30 -14.094 -9.416 -10.327 1.00 0.00 H new ATOM 0 HB3 TRP 1 30 -12.865 -8.920 -11.474 1.00 0.00 H new ATOM 0 HD1 TRP 1 30 -11.118 -11.419 -11.914 1.00 0.00 H new ATOM 0 HE1 TRP 1 30 -11.998 -13.656 -12.827 1.00 0.00 H new ATOM 0 HE3 TRP 1 30 -16.094 -10.774 -10.872 1.00 0.00 H new ATOM 0 HZ2 TRP 1 30 -14.464 -14.915 -13.121 1.00 0.00 H new ATOM 0 HZ3 TRP 1 30 -17.661 -12.558 -11.533 1.00 0.00 H new ATOM 0 HH2 TRP 1 30 -16.853 -14.601 -12.644 1.00 0.00 H new ATOM 526 N GLN 1 31 -11.643 -11.687 -8.472 1.00 0.00 N ATOM 527 CA GLN 1 31 -11.816 -12.785 -7.533 1.00 0.00 C ATOM 528 C GLN 1 31 -10.830 -12.715 -6.378 1.00 0.00 C ATOM 529 O GLN 1 31 -11.101 -13.233 -5.291 1.00 0.00 O ATOM 530 CB GLN 1 31 -11.617 -14.097 -8.285 1.00 0.00 C ATOM 531 CG GLN 1 31 -12.727 -14.414 -9.271 1.00 0.00 C ATOM 532 CD GLN 1 31 -12.576 -15.784 -9.893 1.00 0.00 C ATOM 533 OE1 GLN 1 31 -11.999 -15.934 -10.970 1.00 0.00 O ATOM 534 NE2 GLN 1 31 -13.083 -16.795 -9.203 1.00 0.00 N ATOM 0 H GLN 1 31 -10.872 -11.826 -9.125 1.00 0.00 H new ATOM 0 HA GLN 1 31 -12.819 -12.719 -7.110 1.00 0.00 H new ATOM 0 HB2 GLN 1 31 -10.669 -14.057 -8.821 1.00 0.00 H new ATOM 0 HB3 GLN 1 31 -11.542 -14.910 -7.563 1.00 0.00 H new ATOM 0 HG2 GLN 1 31 -13.689 -14.354 -8.762 1.00 0.00 H new ATOM 0 HG3 GLN 1 31 -12.735 -13.660 -10.058 1.00 0.00 H new ATOM 0 HE21 GLN 1 31 -13.553 -16.621 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN 1 31 -13.003 -17.747 -9.560 1.00 0.00 H new ATOM 543 N THR 1 32 -9.696 -12.058 -6.619 1.00 0.00 N ATOM 544 CA THR 1 32 -8.640 -11.913 -5.617 1.00 0.00 C ATOM 545 C THR 1 32 -9.055 -10.997 -4.449 1.00 0.00 C ATOM 546 O THR 1 32 -9.263 -9.793 -4.618 1.00 0.00 O ATOM 547 CB THR 1 32 -7.361 -11.382 -6.270 1.00 0.00 C ATOM 548 OG1 THR 1 32 -7.255 -11.887 -7.606 1.00 0.00 O ATOM 549 CG2 THR 1 32 -6.115 -11.775 -5.478 1.00 0.00 C ATOM 0 H THR 1 32 -9.484 -11.612 -7.512 1.00 0.00 H new ATOM 0 HA THR 1 32 -8.457 -12.904 -5.201 1.00 0.00 H new ATOM 0 HB THR 1 32 -7.423 -10.294 -6.284 1.00 0.00 H new ATOM 0 HG1 THR 1 32 -7.494 -12.837 -7.616 1.00 0.00 H new ATOM 0 HG21 THR 1 32 -5.229 -11.379 -5.974 1.00 0.00 H new ATOM 0 HG22 THR 1 32 -6.180 -11.365 -4.470 1.00 0.00 H new ATOM 0 HG23 THR 1 32 -6.046 -12.861 -5.424 1.00 0.00 H new ATOM 557 N SER 1 33 -9.166 -11.618 -3.273 1.00 0.00 N ATOM 558 CA SER 1 33 -9.530 -10.945 -2.025 1.00 0.00 C ATOM 559 C SER 1 33 -8.286 -10.752 -1.151 1.00 0.00 C ATOM 560 O SER 1 33 -7.280 -11.431 -1.380 1.00 0.00 O ATOM 561 CB SER 1 33 -10.577 -11.785 -1.284 1.00 0.00 C ATOM 562 OG SER 1 33 -11.806 -11.802 -1.989 1.00 0.00 O ATOM 0 H SER 1 33 -9.003 -12.618 -3.159 1.00 0.00 H new ATOM 0 HA SER 1 33 -9.950 -9.964 -2.249 1.00 0.00 H new ATOM 0 HB2 SER 1 33 -10.210 -12.804 -1.161 1.00 0.00 H new ATOM 0 HB3 SER 1 33 -10.733 -11.379 -0.284 1.00 0.00 H new ATOM 0 HG SER 1 33 -12.457 -12.345 -1.498 1.00 0.00 H new ATOM 568 N PRO 1 34 -8.298 -9.819 -0.138 1.00 0.00 N ATOM 569 CA PRO 1 34 -7.137 -9.617 0.759 1.00 0.00 C ATOM 570 C PRO 1 34 -6.720 -10.908 1.467 1.00 0.00 C ATOM 571 O PRO 1 34 -5.560 -11.077 1.854 1.00 0.00 O ATOM 572 CB PRO 1 34 -7.614 -8.557 1.767 1.00 0.00 C ATOM 573 CG PRO 1 34 -9.100 -8.527 1.633 1.00 0.00 C ATOM 574 CD PRO 1 34 -9.393 -8.879 0.204 1.00 0.00 C ATOM 0 HA PRO 1 34 -6.251 -9.303 0.207 1.00 0.00 H new ATOM 0 HB2 PRO 1 34 -7.316 -8.818 2.783 1.00 0.00 H new ATOM 0 HB3 PRO 1 34 -7.179 -7.582 1.548 1.00 0.00 H new ATOM 0 HG2 PRO 1 34 -9.568 -9.238 2.314 1.00 0.00 H new ATOM 0 HG3 PRO 1 34 -9.494 -7.542 1.881 1.00 0.00 H new ATOM 0 HD2 PRO 1 34 -10.373 -9.344 0.095 1.00 0.00 H new ATOM 0 HD3 PRO 1 34 -9.385 -7.999 -0.439 1.00 0.00 H new ATOM 582 N ASP 1 35 -7.694 -11.809 1.610 1.00 0.00 N ATOM 583 CA ASP 1 35 -7.490 -13.123 2.217 1.00 0.00 C ATOM 584 C ASP 1 35 -6.865 -14.071 1.206 1.00 0.00 C ATOM 585 O ASP 1 35 -6.088 -14.956 1.557 1.00 0.00 O ATOM 586 CB ASP 1 35 -8.801 -13.684 2.699 1.00 0.00 C ATOM 587 CG ASP 1 35 -9.047 -13.425 4.171 1.00 0.00 C ATOM 588 OD1 ASP 1 35 -8.686 -14.292 4.994 1.00 0.00 O ATOM 589 OD2 ASP 1 35 -9.598 -12.354 4.502 1.00 0.00 O ATOM 0 H ASP 1 35 -8.653 -11.645 1.305 1.00 0.00 H new ATOM 0 HA ASP 1 35 -6.818 -13.014 3.069 1.00 0.00 H new ATOM 0 HB2 ASP 1 35 -9.613 -13.247 2.118 1.00 0.00 H new ATOM 0 HB3 ASP 1 35 -8.820 -14.758 2.516 1.00 0.00 H new ATOM 594 N SER 1 36 -7.250 -13.858 -0.059 1.00 0.00 N ATOM 595 CA SER 1 36 -6.740 -14.629 -1.195 1.00 0.00 C ATOM 596 C SER 1 36 -5.284 -14.250 -1.441 1.00 0.00 C ATOM 597 O SER 1 36 -4.460 -15.099 -1.792 1.00 0.00 O ATOM 598 CB SER 1 36 -7.579 -14.352 -2.449 1.00 0.00 C ATOM 599 OG SER 1 36 -7.243 -15.244 -3.500 1.00 0.00 O ATOM 0 H SER 1 36 -7.927 -13.142 -0.322 1.00 0.00 H new ATOM 0 HA SER 1 36 -6.807 -15.693 -0.969 1.00 0.00 H new ATOM 0 HB2 SER 1 36 -8.638 -14.450 -2.210 1.00 0.00 H new ATOM 0 HB3 SER 1 36 -7.420 -13.324 -2.776 1.00 0.00 H new ATOM 0 HG SER 1 36 -7.794 -15.046 -4.286 1.00 0.00 H new ATOM 605 N LEU 1 37 -4.986 -12.953 -1.243 1.00 0.00 N ATOM 606 CA LEU 1 37 -3.673 -12.400 -1.383 1.00 0.00 C ATOM 607 C LEU 1 37 -2.786 -12.828 -0.214 1.00 0.00 C ATOM 608 O LEU 1 37 -1.589 -13.072 -0.379 1.00 0.00 O ATOM 609 CB LEU 1 37 -3.855 -10.895 -1.413 1.00 0.00 C ATOM 610 CG LEU 1 37 -3.616 -10.206 -2.754 1.00 0.00 C ATOM 611 CD1 LEU 1 37 -4.128 -8.784 -2.704 1.00 0.00 C ATOM 612 CD2 LEU 1 37 -2.149 -10.207 -3.137 1.00 0.00 C ATOM 0 H LEU 1 37 -5.687 -12.262 -0.975 1.00 0.00 H new ATOM 0 HA LEU 1 37 -3.181 -12.751 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU 1 37 -4.871 -10.668 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU 1 37 -3.180 -10.455 -0.679 1.00 0.00 H new ATOM 0 HG LEU 1 37 -4.160 -10.768 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU 1 37 -3.953 -8.300 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU 1 37 -5.197 -8.789 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU 1 37 -3.604 -8.236 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU 1 37 -2.023 -9.707 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU 1 37 -1.574 -9.680 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU 1 37 -1.794 -11.235 -3.214 1.00 0.00 H new ATOM 624 N ARG 1 38 -3.416 -12.923 0.970 1.00 0.00 N ATOM 625 CA ARG 1 38 -2.762 -13.348 2.194 1.00 0.00 C ATOM 626 C ARG 1 38 -2.503 -14.850 2.117 1.00 0.00 C ATOM 627 O ARG 1 38 -1.459 -15.325 2.548 1.00 0.00 O ATOM 628 CB ARG 1 38 -3.634 -13.002 3.413 1.00 0.00 C ATOM 629 CG ARG 1 38 -2.835 -12.631 4.663 1.00 0.00 C ATOM 630 CD ARG 1 38 -3.643 -11.771 5.633 1.00 0.00 C ATOM 631 NE ARG 1 38 -4.625 -12.549 6.393 1.00 0.00 N ATOM 632 CZ ARG 1 38 -5.245 -12.117 7.502 1.00 0.00 C ATOM 633 NH1 ARG 1 38 -5.000 -10.905 8.002 1.00 0.00 N ATOM 634 NH2 ARG 1 38 -6.116 -12.907 8.116 1.00 0.00 N ATOM 0 H ARG 1 38 -4.404 -12.702 1.092 1.00 0.00 H new ATOM 0 HA ARG 1 38 -1.812 -12.825 2.307 1.00 0.00 H new ATOM 0 HB2 ARG 1 38 -4.290 -12.171 3.154 1.00 0.00 H new ATOM 0 HB3 ARG 1 38 -4.274 -13.854 3.643 1.00 0.00 H new ATOM 0 HG2 ARG 1 38 -2.513 -13.541 5.169 1.00 0.00 H new ATOM 0 HG3 ARG 1 38 -1.933 -12.094 4.369 1.00 0.00 H new ATOM 0 HD2 ARG 1 38 -2.963 -11.275 6.326 1.00 0.00 H new ATOM 0 HD3 ARG 1 38 -4.158 -10.988 5.076 1.00 0.00 H new ATOM 0 HE ARG 1 38 -4.853 -13.484 6.056 1.00 0.00 H new ATOM 0 HH11 ARG 1 38 -4.331 -10.288 7.540 1.00 0.00 H new ATOM 0 HH12 ARG 1 38 -5.481 -10.595 8.846 1.00 0.00 H new ATOM 0 HH21 ARG 1 38 -6.311 -13.837 7.745 1.00 0.00 H new ATOM 0 HH22 ARG 1 38 -6.591 -12.585 8.959 1.00 0.00 H new ATOM 648 N ASP 1 39 -3.477 -15.580 1.537 1.00 0.00 N ATOM 649 CA ASP 1 39 -3.373 -17.026 1.337 1.00 0.00 C ATOM 650 C ASP 1 39 -2.351 -17.376 0.243 1.00 0.00 C ATOM 651 O ASP 1 39 -1.573 -18.320 0.401 1.00 0.00 O ATOM 652 CB ASP 1 39 -4.738 -17.610 0.961 1.00 0.00 C ATOM 653 CG ASP 1 39 -5.411 -18.314 2.123 1.00 0.00 C ATOM 654 OD1 ASP 1 39 -5.166 -19.525 2.304 1.00 0.00 O ATOM 655 OD2 ASP 1 39 -6.182 -17.655 2.849 1.00 0.00 O ATOM 0 H ASP 1 39 -4.351 -15.179 1.198 1.00 0.00 H new ATOM 0 HA ASP 1 39 -3.032 -17.460 2.277 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 -5.385 -16.810 0.602 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 -4.614 -18.313 0.138 1.00 0.00 H new ATOM 660 N TYR 1 40 -2.328 -16.573 -0.844 1.00 0.00 N ATOM 661 CA TYR 1 40 -1.427 -16.797 -1.974 1.00 0.00 C ATOM 662 C TYR 1 40 0.027 -16.468 -1.613 1.00 0.00 C ATOM 663 O TYR 1 40 0.925 -17.285 -1.809 1.00 0.00 O ATOM 664 CB TYR 1 40 -1.881 -15.949 -3.174 1.00 0.00 C ATOM 665 CG TYR 1 40 -1.507 -16.536 -4.518 1.00 0.00 C ATOM 666 CD1 TYR 1 40 -0.404 -16.069 -5.220 1.00 0.00 C ATOM 667 CD2 TYR 1 40 -2.255 -17.563 -5.078 1.00 0.00 C ATOM 668 CE1 TYR 1 40 -0.058 -16.608 -6.445 1.00 0.00 C ATOM 669 CE2 TYR 1 40 -1.916 -18.108 -6.302 1.00 0.00 C ATOM 670 CZ TYR 1 40 -0.817 -17.626 -6.981 1.00 0.00 C ATOM 671 OH TYR 1 40 -0.476 -18.164 -8.201 1.00 0.00 O ATOM 0 H TYR 1 40 -2.933 -15.759 -0.953 1.00 0.00 H new ATOM 0 HA TYR 1 40 -1.469 -17.854 -2.236 1.00 0.00 H new ATOM 0 HB2 TYR 1 40 -2.963 -15.827 -3.131 1.00 0.00 H new ATOM 0 HB3 TYR 1 40 -1.444 -14.954 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR 1 40 0.193 -15.272 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR 1 40 -3.116 -17.942 -4.548 1.00 0.00 H new ATOM 0 HE1 TYR 1 40 0.803 -16.233 -6.979 1.00 0.00 H new ATOM 0 HE2 TYR 1 40 -2.508 -18.906 -6.724 1.00 0.00 H new ATOM 0 HH TYR 1 40 -0.445 -17.453 -8.875 1.00 0.00 H new ATOM 681 N PHE 1 41 0.229 -15.264 -1.067 1.00 0.00 N ATOM 682 CA PHE 1 41 1.538 -14.765 -0.680 1.00 0.00 C ATOM 683 C PHE 1 41 2.124 -15.466 0.557 1.00 0.00 C ATOM 684 O PHE 1 41 3.347 -15.503 0.720 1.00 0.00 O ATOM 685 CB PHE 1 41 1.444 -13.262 -0.522 1.00 0.00 C ATOM 686 CG PHE 1 41 1.577 -12.548 -1.847 1.00 0.00 C ATOM 687 CD1 PHE 1 41 2.781 -11.980 -2.236 1.00 0.00 C ATOM 688 CD2 PHE 1 41 0.501 -12.484 -2.722 1.00 0.00 C ATOM 689 CE1 PHE 1 41 2.910 -11.364 -3.466 1.00 0.00 C ATOM 690 CE2 PHE 1 41 0.627 -11.863 -3.952 1.00 0.00 C ATOM 691 CZ PHE 1 41 1.832 -11.305 -4.324 1.00 0.00 C ATOM 0 H PHE 1 41 -0.528 -14.605 -0.882 1.00 0.00 H new ATOM 0 HA PHE 1 41 2.252 -15.002 -1.469 1.00 0.00 H new ATOM 0 HB2 PHE 1 41 0.489 -13.004 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE 1 41 2.225 -12.918 0.156 1.00 0.00 H new ATOM 0 HD1 PHE 1 41 3.629 -12.020 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE 1 41 -0.444 -12.924 -2.440 1.00 0.00 H new ATOM 0 HE1 PHE 1 41 3.855 -10.929 -3.755 1.00 0.00 H new ATOM 0 HE2 PHE 1 41 -0.219 -11.815 -4.621 1.00 0.00 H new ATOM 0 HZ PHE 1 41 1.931 -10.823 -5.285 1.00 0.00 H new ATOM 701 N SER 1 42 1.245 -16.020 1.434 1.00 0.00 N ATOM 702 CA SER 1 42 1.683 -16.742 2.655 1.00 0.00 C ATOM 703 C SER 1 42 2.431 -17.998 2.260 1.00 0.00 C ATOM 704 O SER 1 42 3.125 -18.635 3.058 1.00 0.00 O ATOM 705 CB SER 1 42 0.496 -17.120 3.546 1.00 0.00 C ATOM 706 OG SER 1 42 0.928 -17.503 4.842 1.00 0.00 O ATOM 0 H SER 1 42 0.233 -15.980 1.317 1.00 0.00 H new ATOM 0 HA SER 1 42 2.334 -16.076 3.221 1.00 0.00 H new ATOM 0 HB2 SER 1 42 -0.188 -16.275 3.623 1.00 0.00 H new ATOM 0 HB3 SER 1 42 -0.059 -17.939 3.088 1.00 0.00 H new ATOM 0 HG SER 1 42 0.150 -17.738 5.390 1.00 0.00 H new ATOM 712 N LYS 1 43 2.256 -18.307 0.991 1.00 0.00 N ATOM 713 CA LYS 1 43 2.849 -19.460 0.343 1.00 0.00 C ATOM 714 C LYS 1 43 4.305 -19.191 -0.069 1.00 0.00 C ATOM 715 O LYS 1 43 5.043 -20.118 -0.412 1.00 0.00 O ATOM 716 CB LYS 1 43 2.005 -19.832 -0.869 1.00 0.00 C ATOM 717 CG LYS 1 43 0.782 -20.679 -0.535 1.00 0.00 C ATOM 718 CD LYS 1 43 0.842 -22.040 -1.216 1.00 0.00 C ATOM 719 CE LYS 1 43 -0.368 -22.898 -0.871 1.00 0.00 C ATOM 720 NZ LYS 1 43 -1.597 -22.451 -1.586 1.00 0.00 N ATOM 0 H LYS 1 43 1.680 -17.746 0.363 1.00 0.00 H new ATOM 0 HA LYS 1 43 2.867 -20.291 1.048 1.00 0.00 H new ATOM 0 HB2 LYS 1 43 1.677 -18.918 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS 1 43 2.628 -20.375 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS 1 43 0.716 -20.814 0.545 1.00 0.00 H new ATOM 0 HG3 LYS 1 43 -0.121 -20.155 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS 1 43 0.895 -21.904 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS 1 43 1.753 -22.558 -0.915 1.00 0.00 H new ATOM 0 HE2 LYS 1 43 -0.159 -23.937 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS 1 43 -0.542 -22.862 0.204 1.00 0.00 H new ATOM 0 HZ1 LYS 1 43 -2.395 -23.063 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS 1 43 -1.813 -21.468 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS 1 43 -1.442 -22.509 -2.613 1.00 0.00 H new ATOM 734 N PHE 1 44 4.697 -17.909 -0.020 1.00 0.00 N ATOM 735 CA PHE 1 44 6.057 -17.476 -0.358 1.00 0.00 C ATOM 736 C PHE 1 44 6.823 -17.112 0.914 1.00 0.00 C ATOM 737 O PHE 1 44 8.035 -17.324 1.008 1.00 0.00 O ATOM 738 CB PHE 1 44 6.015 -16.274 -1.290 1.00 0.00 C ATOM 739 CG PHE 1 44 7.059 -16.321 -2.366 1.00 0.00 C ATOM 740 CD1 PHE 1 44 6.787 -16.926 -3.583 1.00 0.00 C ATOM 741 CD2 PHE 1 44 8.320 -15.785 -2.154 1.00 0.00 C ATOM 742 CE1 PHE 1 44 7.753 -16.999 -4.566 1.00 0.00 C ATOM 743 CE2 PHE 1 44 9.287 -15.853 -3.140 1.00 0.00 C ATOM 744 CZ PHE 1 44 9.003 -16.461 -4.343 1.00 0.00 C ATOM 0 H PHE 1 44 4.079 -17.145 0.255 1.00 0.00 H new ATOM 0 HA PHE 1 44 6.566 -18.298 -0.862 1.00 0.00 H new ATOM 0 HB2 PHE 1 44 5.029 -16.215 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE 1 44 6.147 -15.364 -0.705 1.00 0.00 H new ATOM 0 HD1 PHE 1 44 5.808 -17.345 -3.764 1.00 0.00 H new ATOM 0 HD2 PHE 1 44 8.549 -15.311 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE 1 44 7.530 -17.477 -5.509 1.00 0.00 H new ATOM 0 HE2 PHE 1 44 10.265 -15.429 -2.967 1.00 0.00 H new ATOM 0 HZ PHE 1 44 9.760 -16.516 -5.112 1.00 0.00 H new ATOM 754 N GLY 1 45 6.082 -16.569 1.881 1.00 0.00 N ATOM 755 CA GLY 1 45 6.612 -16.174 3.153 1.00 0.00 C ATOM 756 C GLY 1 45 5.486 -15.954 4.128 1.00 0.00 C ATOM 757 O GLY 1 45 4.362 -16.410 3.899 1.00 0.00 O ATOM 0 H GLY 1 45 5.082 -16.395 1.784 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 7.287 -16.942 3.530 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 7.196 -15.260 3.046 1.00 0.00 H new ATOM 761 N GLU 1 46 5.775 -15.253 5.203 1.00 0.00 N ATOM 762 CA GLU 1 46 4.798 -14.961 6.207 1.00 0.00 C ATOM 763 C GLU 1 46 4.359 -13.516 6.114 1.00 0.00 C ATOM 764 O GLU 1 46 5.173 -12.593 6.006 1.00 0.00 O ATOM 765 CB GLU 1 46 5.311 -15.280 7.604 1.00 0.00 C ATOM 766 CG GLU 1 46 4.180 -15.420 8.611 1.00 0.00 C ATOM 767 CD GLU 1 46 4.632 -16.015 9.930 1.00 0.00 C ATOM 768 OE1 GLU 1 46 4.716 -17.258 10.022 1.00 0.00 O ATOM 769 OE2 GLU 1 46 4.904 -15.238 10.870 1.00 0.00 O ATOM 0 H GLU 1 46 6.701 -14.872 5.398 1.00 0.00 H new ATOM 0 HA GLU 1 46 3.935 -15.601 6.024 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 5.887 -16.205 7.576 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 5.990 -14.492 7.929 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 3.739 -14.440 8.793 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 3.397 -16.047 8.185 1.00 0.00 H new ATOM 776 N ILE 1 47 3.060 -13.368 6.174 1.00 0.00 N ATOM 777 CA ILE 1 47 2.393 -12.069 6.093 1.00 0.00 C ATOM 778 C ILE 1 47 1.862 -11.629 7.450 1.00 0.00 C ATOM 779 O ILE 1 47 1.343 -12.434 8.230 1.00 0.00 O ATOM 780 CB ILE 1 47 1.258 -12.075 5.041 1.00 0.00 C ATOM 781 CG1 ILE 1 47 1.830 -12.424 3.683 1.00 0.00 C ATOM 782 CG2 ILE 1 47 0.525 -10.732 4.962 1.00 0.00 C ATOM 783 CD1 ILE 1 47 1.073 -13.515 2.940 1.00 0.00 C ATOM 0 H ILE 1 47 2.416 -14.151 6.282 1.00 0.00 H new ATOM 0 HA ILE 1 47 3.143 -11.346 5.773 1.00 0.00 H new ATOM 0 HB ILE 1 47 0.529 -12.824 5.350 1.00 0.00 H new ATOM 0 HG12 ILE 1 47 1.844 -11.525 3.067 1.00 0.00 H new ATOM 0 HG13 ILE 1 47 2.866 -12.740 3.809 1.00 0.00 H new ATOM 0 HG21 ILE 1 47 -0.261 -10.790 4.209 1.00 0.00 H new ATOM 0 HG22 ILE 1 47 0.083 -10.501 5.931 1.00 0.00 H new ATOM 0 HG23 ILE 1 47 1.231 -9.948 4.689 1.00 0.00 H new ATOM 0 HD11 ILE 1 47 1.552 -13.700 1.978 1.00 0.00 H new ATOM 0 HD12 ILE 1 47 1.081 -14.431 3.531 1.00 0.00 H new ATOM 0 HD13 ILE 1 47 0.043 -13.197 2.777 1.00 0.00 H new ATOM 795 N ARG 1 48 2.029 -10.336 7.708 1.00 0.00 N ATOM 796 CA ARG 1 48 1.568 -9.690 8.921 1.00 0.00 C ATOM 797 C ARG 1 48 0.122 -9.224 8.745 1.00 0.00 C ATOM 798 O ARG 1 48 -0.709 -9.371 9.646 1.00 0.00 O ATOM 799 CB ARG 1 48 2.472 -8.492 9.188 1.00 0.00 C ATOM 800 CG ARG 1 48 2.679 -8.191 10.660 1.00 0.00 C ATOM 801 CD ARG 1 48 3.838 -7.229 10.887 1.00 0.00 C ATOM 802 NE ARG 1 48 4.389 -7.350 12.241 1.00 0.00 N ATOM 803 CZ ARG 1 48 4.478 -6.347 13.127 1.00 0.00 C ATOM 804 NH1 ARG 1 48 4.055 -5.119 12.829 1.00 0.00 N ATOM 805 NH2 ARG 1 48 4.998 -6.582 14.324 1.00 0.00 N ATOM 0 H ARG 1 48 2.498 -9.700 7.064 1.00 0.00 H new ATOM 0 HA ARG 1 48 1.605 -10.386 9.759 1.00 0.00 H new ATOM 0 HB2 ARG 1 48 3.442 -8.672 8.725 1.00 0.00 H new ATOM 0 HB3 ARG 1 48 2.045 -7.613 8.704 1.00 0.00 H new ATOM 0 HG2 ARG 1 48 1.766 -7.763 11.075 1.00 0.00 H new ATOM 0 HG3 ARG 1 48 2.868 -9.120 11.197 1.00 0.00 H new ATOM 0 HD2 ARG 1 48 4.622 -7.426 10.156 1.00 0.00 H new ATOM 0 HD3 ARG 1 48 3.499 -6.206 10.723 1.00 0.00 H new ATOM 0 HE ARG 1 48 4.730 -8.266 12.531 1.00 0.00 H new ATOM 0 HH11 ARG 1 48 3.654 -4.927 11.911 1.00 0.00 H new ATOM 0 HH12 ARG 1 48 4.133 -4.371 13.519 1.00 0.00 H new ATOM 0 HH21 ARG 1 48 5.325 -7.518 14.563 1.00 0.00 H new ATOM 0 HH22 ARG 1 48 5.071 -5.827 15.006 1.00 0.00 H new ATOM 819 N GLU 1 49 -0.155 -8.680 7.549 1.00 0.00 N ATOM 820 CA GLU 1 49 -1.468 -8.160 7.182 1.00 0.00 C ATOM 821 C GLU 1 49 -1.525 -7.938 5.672 1.00 0.00 C ATOM 822 O GLU 1 49 -0.497 -7.770 5.024 1.00 0.00 O ATOM 823 CB GLU 1 49 -1.762 -6.832 7.910 1.00 0.00 C ATOM 824 CG GLU 1 49 -3.244 -6.544 8.111 1.00 0.00 C ATOM 825 CD GLU 1 49 -3.493 -5.204 8.774 1.00 0.00 C ATOM 826 OE1 GLU 1 49 -3.766 -4.225 8.048 1.00 0.00 O ATOM 827 OE2 GLU 1 49 -3.413 -5.133 10.019 1.00 0.00 O ATOM 0 H GLU 1 49 0.539 -8.591 6.807 1.00 0.00 H new ATOM 0 HA GLU 1 49 -2.222 -8.889 7.480 1.00 0.00 H new ATOM 0 HB2 GLU 1 49 -1.271 -6.848 8.883 1.00 0.00 H new ATOM 0 HB3 GLU 1 49 -1.318 -6.014 7.343 1.00 0.00 H new ATOM 0 HG2 GLU 1 49 -3.749 -6.567 7.145 1.00 0.00 H new ATOM 0 HG3 GLU 1 49 -3.684 -7.334 8.720 1.00 0.00 H new ATOM 834 N CYS 1 50 -2.735 -7.943 5.141 1.00 0.00 N ATOM 835 CA CYS 1 50 -2.991 -7.717 3.740 1.00 0.00 C ATOM 836 C CYS 1 50 -4.117 -6.711 3.592 1.00 0.00 C ATOM 837 O CYS 1 50 -5.008 -6.613 4.442 1.00 0.00 O ATOM 838 CB CYS 1 50 -3.318 -9.020 3.002 1.00 0.00 C ATOM 839 SG CYS 1 50 -3.779 -8.812 1.263 1.00 0.00 S ATOM 0 H CYS 1 50 -3.580 -8.108 5.687 1.00 0.00 H new ATOM 0 HA CYS 1 50 -2.086 -7.317 3.283 1.00 0.00 H new ATOM 0 HB2 CYS 1 50 -2.452 -9.680 3.057 1.00 0.00 H new ATOM 0 HB3 CYS 1 50 -4.134 -9.521 3.522 1.00 0.00 H new ATOM 0 HG CYS 1 50 -4.511 -9.818 0.885 1.00 0.00 H new ATOM 845 N MET 1 51 -4.054 -5.980 2.497 1.00 0.00 N ATOM 846 CA MET 1 51 -5.011 -4.932 2.183 1.00 0.00 C ATOM 847 C MET 1 51 -5.290 -4.846 0.688 1.00 0.00 C ATOM 848 O MET 1 51 -4.385 -4.909 -0.142 1.00 0.00 O ATOM 849 CB MET 1 51 -4.503 -3.586 2.700 1.00 0.00 C ATOM 850 CG MET 1 51 -5.467 -2.413 2.527 1.00 0.00 C ATOM 851 SD MET 1 51 -4.894 -0.905 3.340 1.00 0.00 S ATOM 852 CE MET 1 51 -3.666 -0.312 2.175 1.00 0.00 C ATOM 0 H MET 1 51 -3.328 -6.097 1.790 1.00 0.00 H new ATOM 0 HA MET 1 51 -5.949 -5.183 2.679 1.00 0.00 H new ATOM 0 HB2 MET 1 51 -4.268 -3.688 3.759 1.00 0.00 H new ATOM 0 HB3 MET 1 51 -3.571 -3.347 2.188 1.00 0.00 H new ATOM 0 HG2 MET 1 51 -5.605 -2.216 1.464 1.00 0.00 H new ATOM 0 HG3 MET 1 51 -6.442 -2.688 2.929 1.00 0.00 H new ATOM 0 HE1 MET 1 51 -3.228 0.614 2.548 1.00 0.00 H new ATOM 0 HE2 MET 1 51 -2.883 -1.062 2.058 1.00 0.00 H new ATOM 0 HE3 MET 1 51 -4.139 -0.128 1.210 1.00 0.00 H new ATOM 862 N VAL 1 52 -6.572 -4.746 0.392 1.00 0.00 N ATOM 863 CA VAL 1 52 -7.088 -4.582 -0.963 1.00 0.00 C ATOM 864 C VAL 1 52 -8.060 -3.406 -0.966 1.00 0.00 C ATOM 865 O VAL 1 52 -9.010 -3.357 -0.178 1.00 0.00 O ATOM 866 CB VAL 1 52 -7.767 -5.858 -1.490 1.00 0.00 C ATOM 867 CG1 VAL 1 52 -8.308 -5.695 -2.912 1.00 0.00 C ATOM 868 CG2 VAL 1 52 -6.798 -7.019 -1.440 1.00 0.00 C ATOM 0 H VAL 1 52 -7.305 -4.777 1.101 1.00 0.00 H new ATOM 0 HA VAL 1 52 -6.253 -4.385 -1.636 1.00 0.00 H new ATOM 0 HB VAL 1 52 -8.620 -6.056 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL 1 52 -8.776 -6.626 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL 1 52 -9.046 -4.893 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL 1 52 -7.488 -5.450 -3.587 1.00 0.00 H new ATOM 0 HG21 VAL 1 52 -7.287 -7.918 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL 1 52 -5.929 -6.794 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL 1 52 -6.479 -7.182 -0.411 1.00 0.00 H new ATOM 878 N MET 1 53 -7.790 -2.474 -1.866 1.00 0.00 N ATOM 879 CA MET 1 53 -8.574 -1.240 -2.021 1.00 0.00 C ATOM 880 C MET 1 53 -9.966 -1.487 -2.608 1.00 0.00 C ATOM 881 O MET 1 53 -10.113 -1.861 -3.778 1.00 0.00 O ATOM 882 CB MET 1 53 -7.803 -0.231 -2.882 1.00 0.00 C ATOM 883 CG MET 1 53 -7.118 0.860 -2.073 1.00 0.00 C ATOM 884 SD MET 1 53 -8.276 1.835 -1.091 1.00 0.00 S ATOM 885 CE MET 1 53 -7.145 2.760 -0.055 1.00 0.00 C ATOM 0 H MET 1 53 -7.012 -2.546 -2.522 1.00 0.00 H new ATOM 0 HA MET 1 53 -8.725 -0.832 -1.022 1.00 0.00 H new ATOM 0 HB2 MET 1 53 -7.053 -0.763 -3.467 1.00 0.00 H new ATOM 0 HB3 MET 1 53 -8.491 0.231 -3.590 1.00 0.00 H new ATOM 0 HG2 MET 1 53 -6.380 0.406 -1.411 1.00 0.00 H new ATOM 0 HG3 MET 1 53 -6.576 1.521 -2.749 1.00 0.00 H new ATOM 0 HE1 MET 1 53 -7.711 3.411 0.611 1.00 0.00 H new ATOM 0 HE2 MET 1 53 -6.546 2.068 0.537 1.00 0.00 H new ATOM 0 HE3 MET 1 53 -6.489 3.364 -0.682 1.00 0.00 H new ATOM 895 N ARG 1 54 -10.974 -1.275 -1.759 1.00 0.00 N ATOM 896 CA ARG 1 54 -12.380 -1.444 -2.126 1.00 0.00 C ATOM 897 C ARG 1 54 -13.212 -0.289 -1.565 1.00 0.00 C ATOM 898 O ARG 1 54 -12.839 0.310 -0.551 1.00 0.00 O ATOM 899 CB ARG 1 54 -12.913 -2.777 -1.591 1.00 0.00 C ATOM 900 CG ARG 1 54 -12.532 -3.982 -2.438 1.00 0.00 C ATOM 901 CD ARG 1 54 -13.140 -5.259 -1.878 1.00 0.00 C ATOM 902 NE ARG 1 54 -12.805 -6.437 -2.686 1.00 0.00 N ATOM 903 CZ ARG 1 54 -13.352 -7.652 -2.522 1.00 0.00 C ATOM 904 NH1 ARG 1 54 -14.266 -7.873 -1.578 1.00 0.00 N ATOM 905 NH2 ARG 1 54 -12.976 -8.651 -3.307 1.00 0.00 N ATOM 0 H ARG 1 54 -10.836 -0.980 -0.792 1.00 0.00 H new ATOM 0 HA ARG 1 54 -12.458 -1.444 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG 1 54 -12.539 -2.925 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG 1 54 -14.000 -2.722 -1.525 1.00 0.00 H new ATOM 0 HG2 ARG 1 54 -12.872 -3.832 -3.463 1.00 0.00 H new ATOM 0 HG3 ARG 1 54 -11.447 -4.077 -2.473 1.00 0.00 H new ATOM 0 HD2 ARG 1 54 -12.788 -5.409 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG 1 54 -14.224 -5.151 -1.829 1.00 0.00 H new ATOM 0 HE ARG 1 54 -12.109 -6.325 -3.423 1.00 0.00 H new ATOM 0 HH11 ARG 1 54 -14.561 -7.112 -0.966 1.00 0.00 H new ATOM 0 HH12 ARG 1 54 -14.671 -8.803 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG 1 54 -12.275 -8.495 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG 1 54 -13.388 -9.576 -3.187 1.00 0.00 H new ATOM 919 N ASP 1 55 -14.343 0.008 -2.216 1.00 0.00 N ATOM 920 CA ASP 1 55 -15.222 1.076 -1.801 1.00 0.00 C ATOM 921 C ASP 1 55 -16.437 0.523 -1.046 1.00 0.00 C ATOM 922 O ASP 1 55 -17.254 -0.179 -1.638 1.00 0.00 O ATOM 923 CB ASP 1 55 -15.678 1.866 -3.010 1.00 0.00 C ATOM 924 CG ASP 1 55 -14.763 3.030 -3.332 1.00 0.00 C ATOM 925 OD1 ASP 1 55 -15.051 4.155 -2.873 1.00 0.00 O ATOM 926 OD2 ASP 1 55 -13.755 2.816 -4.038 1.00 0.00 O ATOM 0 H ASP 1 55 -14.663 -0.494 -3.044 1.00 0.00 H new ATOM 0 HA ASP 1 55 -14.672 1.733 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP 1 55 -15.731 1.202 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP 1 55 -16.686 2.241 -2.834 1.00 0.00 H new ATOM 931 N PRO 1 56 -16.581 0.809 0.281 1.00 0.00 N ATOM 932 CA PRO 1 56 -17.734 0.327 1.080 1.00 0.00 C ATOM 933 C PRO 1 56 -19.106 0.811 0.573 1.00 0.00 C ATOM 934 O PRO 1 56 -20.141 0.345 1.058 1.00 0.00 O ATOM 935 CB PRO 1 56 -17.471 0.900 2.478 1.00 0.00 C ATOM 936 CG PRO 1 56 -16.013 1.194 2.518 1.00 0.00 C ATOM 937 CD PRO 1 56 -15.627 1.571 1.116 1.00 0.00 C ATOM 0 HA PRO 1 56 -17.797 -0.760 1.033 1.00 0.00 H new ATOM 0 HB2 PRO 1 56 -18.058 1.802 2.649 1.00 0.00 H new ATOM 0 HB3 PRO 1 56 -17.749 0.186 3.254 1.00 0.00 H new ATOM 0 HG2 PRO 1 56 -15.798 2.005 3.213 1.00 0.00 H new ATOM 0 HG3 PRO 1 56 -15.449 0.325 2.858 1.00 0.00 H new ATOM 0 HD2 PRO 1 56 -15.716 2.645 0.950 1.00 0.00 H new ATOM 0 HD3 PRO 1 56 -14.595 1.299 0.897 1.00 0.00 H new ATOM 945 N THR 1 57 -19.108 1.740 -0.401 1.00 0.00 N ATOM 946 CA THR 1 57 -20.346 2.293 -0.952 1.00 0.00 C ATOM 947 C THR 1 57 -20.985 1.383 -2.006 1.00 0.00 C ATOM 948 O THR 1 57 -22.202 1.175 -1.999 1.00 0.00 O ATOM 949 CB THR 1 57 -20.124 3.688 -1.572 1.00 0.00 C ATOM 950 OG1 THR 1 57 -18.970 3.676 -2.422 1.00 0.00 O ATOM 951 CG2 THR 1 57 -19.956 4.748 -0.490 1.00 0.00 C ATOM 0 H THR 1 57 -18.259 2.121 -0.820 1.00 0.00 H new ATOM 0 HA THR 1 57 -21.027 2.373 -0.104 1.00 0.00 H new ATOM 0 HB THR 1 57 -21.005 3.936 -2.164 1.00 0.00 H new ATOM 0 HG1 THR 1 57 -18.841 4.566 -2.811 1.00 0.00 H new ATOM 0 HG21 THR 1 57 -19.801 5.721 -0.955 1.00 0.00 H new ATOM 0 HG22 THR 1 57 -20.852 4.781 0.130 1.00 0.00 H new ATOM 0 HG23 THR 1 57 -19.095 4.501 0.130 1.00 0.00 H new ATOM 959 N THR 1 58 -20.152 0.850 -2.906 1.00 0.00 N ATOM 960 CA THR 1 58 -20.617 -0.039 -3.979 1.00 0.00 C ATOM 961 C THR 1 58 -19.882 -1.384 -3.977 1.00 0.00 C ATOM 962 O THR 1 58 -20.258 -2.305 -4.709 1.00 0.00 O ATOM 963 CB THR 1 58 -20.448 0.632 -5.363 1.00 0.00 C ATOM 964 OG1 THR 1 58 -19.067 0.942 -5.597 1.00 0.00 O ATOM 965 CG2 THR 1 58 -21.270 1.908 -5.450 1.00 0.00 C ATOM 0 H THR 1 58 -19.146 1.019 -2.913 1.00 0.00 H new ATOM 0 HA THR 1 58 -21.674 -0.227 -3.789 1.00 0.00 H new ATOM 0 HB THR 1 58 -20.800 -0.067 -6.121 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -18.998 1.816 -6.035 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -21.135 2.362 -6.432 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -22.324 1.673 -5.301 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -20.941 2.606 -4.680 1.00 0.00 H new ATOM 973 N LYS 1 59 -18.829 -1.486 -3.141 1.00 0.00 N ATOM 974 CA LYS 1 59 -17.990 -2.697 -2.998 1.00 0.00 C ATOM 975 C LYS 1 59 -17.382 -3.137 -4.325 1.00 0.00 C ATOM 976 O LYS 1 59 -17.497 -4.288 -4.766 1.00 0.00 O ATOM 977 CB LYS 1 59 -18.751 -3.816 -2.282 1.00 0.00 C ATOM 978 CG LYS 1 59 -18.826 -3.545 -0.795 1.00 0.00 C ATOM 979 CD LYS 1 59 -20.257 -3.360 -0.316 1.00 0.00 C ATOM 980 CE LYS 1 59 -20.293 -2.868 1.121 1.00 0.00 C ATOM 981 NZ LYS 1 59 -21.673 -2.524 1.564 1.00 0.00 N ATOM 0 H LYS 1 59 -18.532 -0.720 -2.537 1.00 0.00 H new ATOM 0 HA LYS 1 59 -17.143 -2.441 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS 1 59 -19.757 -3.899 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS 1 59 -18.255 -4.770 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS 1 59 -18.367 -4.372 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS 1 59 -18.248 -2.651 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS 1 59 -20.770 -2.647 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS 1 59 -20.795 -4.305 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS 1 59 -19.884 -3.637 1.777 1.00 0.00 H new ATOM 0 HE3 LYS 1 59 -19.653 -1.991 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS 1 59 -21.649 -2.193 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS 1 59 -22.056 -1.772 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS 1 59 -22.279 -3.366 1.496 1.00 0.00 H new ATOM 995 N ARG 1 60 -16.724 -2.162 -4.933 1.00 0.00 N ATOM 996 CA ARG 1 60 -16.037 -2.327 -6.218 1.00 0.00 C ATOM 997 C ARG 1 60 -14.528 -2.423 -6.019 1.00 0.00 C ATOM 998 O ARG 1 60 -13.949 -1.654 -5.247 1.00 0.00 O ATOM 999 CB ARG 1 60 -16.336 -1.148 -7.146 1.00 0.00 C ATOM 1000 CG ARG 1 60 -17.784 -1.048 -7.589 1.00 0.00 C ATOM 1001 CD ARG 1 60 -18.011 0.195 -8.435 1.00 0.00 C ATOM 1002 NE ARG 1 60 -19.342 0.222 -9.047 1.00 0.00 N ATOM 1003 CZ ARG 1 60 -19.994 1.338 -9.402 1.00 0.00 C ATOM 1004 NH1 ARG 1 60 -19.453 2.542 -9.209 1.00 0.00 N ATOM 1005 NH2 ARG 1 60 -21.193 1.248 -9.960 1.00 0.00 N ATOM 0 H ARG 1 60 -16.647 -1.220 -4.549 1.00 0.00 H new ATOM 0 HA ARG 1 60 -16.403 -3.250 -6.668 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -16.060 -0.224 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -15.703 -1.228 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -18.055 -1.936 -8.161 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -18.434 -1.021 -6.715 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -17.882 1.082 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -17.254 0.241 -9.218 1.00 0.00 H new ATOM 0 HE ARG 1 60 -19.805 -0.671 -9.215 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -18.529 2.624 -8.785 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -19.963 3.381 -9.485 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -21.615 0.333 -10.117 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -21.694 2.094 -10.232 1.00 0.00 H new ATOM 1019 N SER 1 61 -13.904 -3.367 -6.726 1.00 0.00 N ATOM 1020 CA SER 1 61 -12.454 -3.567 -6.666 1.00 0.00 C ATOM 1021 C SER 1 61 -11.778 -2.841 -7.830 1.00 0.00 C ATOM 1022 O SER 1 61 -12.266 -2.898 -8.962 1.00 0.00 O ATOM 1023 CB SER 1 61 -12.117 -5.058 -6.710 1.00 0.00 C ATOM 1024 OG SER 1 61 -12.685 -5.740 -5.604 1.00 0.00 O ATOM 0 H SER 1 61 -14.386 -4.011 -7.353 1.00 0.00 H new ATOM 0 HA SER 1 61 -12.084 -3.156 -5.727 1.00 0.00 H new ATOM 0 HB2 SER 1 61 -12.488 -5.491 -7.639 1.00 0.00 H new ATOM 0 HB3 SER 1 61 -11.035 -5.190 -6.707 1.00 0.00 H new ATOM 0 HG SER 1 61 -12.457 -6.692 -5.655 1.00 0.00 H new ATOM 1030 N ARG 1 62 -10.663 -2.162 -7.545 1.00 0.00 N ATOM 1031 CA ARG 1 62 -9.928 -1.414 -8.573 1.00 0.00 C ATOM 1032 C ARG 1 62 -8.798 -2.243 -9.196 1.00 0.00 C ATOM 1033 O ARG 1 62 -8.196 -1.831 -10.192 1.00 0.00 O ATOM 1034 CB ARG 1 62 -9.392 -0.102 -7.988 1.00 0.00 C ATOM 1035 CG ARG 1 62 -10.458 0.989 -7.899 1.00 0.00 C ATOM 1036 CD ARG 1 62 -10.247 1.918 -6.710 1.00 0.00 C ATOM 1037 NE ARG 1 62 -9.184 2.902 -6.949 1.00 0.00 N ATOM 1038 CZ ARG 1 62 -8.489 3.520 -5.984 1.00 0.00 C ATOM 1039 NH1 ARG 1 62 -8.724 3.268 -4.696 1.00 0.00 N ATOM 1040 NH2 ARG 1 62 -7.550 4.397 -6.312 1.00 0.00 N ATOM 0 H ARG 1 62 -10.249 -2.114 -6.614 1.00 0.00 H new ATOM 0 HA ARG 1 62 -10.626 -1.183 -9.378 1.00 0.00 H new ATOM 0 HB2 ARG 1 62 -8.989 -0.292 -6.993 1.00 0.00 H new ATOM 0 HB3 ARG 1 62 -8.566 0.254 -8.604 1.00 0.00 H new ATOM 0 HG2 ARG 1 62 -10.451 1.574 -8.818 1.00 0.00 H new ATOM 0 HG3 ARG 1 62 -11.442 0.526 -7.823 1.00 0.00 H new ATOM 0 HD2 ARG 1 62 -11.178 2.440 -6.491 1.00 0.00 H new ATOM 0 HD3 ARG 1 62 -9.998 1.326 -5.829 1.00 0.00 H new ATOM 0 HE ARG 1 62 -8.959 3.131 -7.917 1.00 0.00 H new ATOM 0 HH11 ARG 1 62 -9.443 2.595 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG 1 62 -8.185 3.748 -3.976 1.00 0.00 H new ATOM 0 HH21 ARG 1 62 -7.360 4.598 -7.294 1.00 0.00 H new ATOM 0 HH22 ARG 1 62 -7.017 4.871 -5.582 1.00 0.00 H new ATOM 1054 N GLY 1 63 -8.525 -3.415 -8.604 1.00 0.00 N ATOM 1055 CA GLY 1 63 -7.496 -4.312 -9.119 1.00 0.00 C ATOM 1056 C GLY 1 63 -6.103 -4.051 -8.569 1.00 0.00 C ATOM 1057 O GLY 1 63 -5.114 -4.280 -9.271 1.00 0.00 O ATOM 0 H GLY 1 63 -9.004 -3.757 -7.771 1.00 0.00 H new ATOM 0 HA2 GLY 1 63 -7.778 -5.339 -8.888 1.00 0.00 H new ATOM 0 HA3 GLY 1 63 -7.467 -4.226 -10.205 1.00 0.00 H new ATOM 1061 N PHE 1 64 -6.018 -3.545 -7.327 1.00 0.00 N ATOM 1062 CA PHE 1 64 -4.724 -3.273 -6.686 1.00 0.00 C ATOM 1063 C PHE 1 64 -4.835 -3.337 -5.159 1.00 0.00 C ATOM 1064 O PHE 1 64 -5.889 -3.030 -4.593 1.00 0.00 O ATOM 1065 CB PHE 1 64 -4.134 -1.929 -7.170 1.00 0.00 C ATOM 1066 CG PHE 1 64 -4.742 -0.694 -6.566 1.00 0.00 C ATOM 1067 CD1 PHE 1 64 -5.646 0.067 -7.275 1.00 0.00 C ATOM 1068 CD2 PHE 1 64 -4.385 -0.302 -5.296 1.00 0.00 C ATOM 1069 CE1 PHE 1 64 -6.187 1.212 -6.722 1.00 0.00 C ATOM 1070 CE2 PHE 1 64 -4.918 0.834 -4.728 1.00 0.00 C ATOM 1071 CZ PHE 1 64 -5.821 1.598 -5.444 1.00 0.00 C ATOM 0 H PHE 1 64 -6.828 -3.317 -6.750 1.00 0.00 H new ATOM 0 HA PHE 1 64 -4.028 -4.056 -6.987 1.00 0.00 H new ATOM 0 HB2 PHE 1 64 -3.065 -1.926 -6.959 1.00 0.00 H new ATOM 0 HB3 PHE 1 64 -4.245 -1.874 -8.253 1.00 0.00 H new ATOM 0 HD1 PHE 1 64 -5.934 -0.234 -8.271 1.00 0.00 H new ATOM 0 HD2 PHE 1 64 -3.676 -0.894 -4.736 1.00 0.00 H new ATOM 0 HE1 PHE 1 64 -6.893 1.804 -7.285 1.00 0.00 H new ATOM 0 HE2 PHE 1 64 -4.632 1.126 -3.728 1.00 0.00 H new ATOM 0 HZ PHE 1 64 -6.239 2.493 -5.008 1.00 0.00 H new ATOM 1081 N GLY 1 65 -3.731 -3.732 -4.512 1.00 0.00 N ATOM 1082 CA GLY 1 65 -3.678 -3.839 -3.088 1.00 0.00 C ATOM 1083 C GLY 1 65 -2.251 -3.850 -2.600 1.00 0.00 C ATOM 1084 O GLY 1 65 -1.330 -3.500 -3.336 1.00 0.00 O ATOM 0 H GLY 1 65 -2.860 -3.982 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -4.214 -3.004 -2.637 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -4.182 -4.751 -2.769 1.00 0.00 H new ATOM 1088 N PHE 1 66 -2.098 -4.206 -1.339 1.00 0.00 N ATOM 1089 CA PHE 1 66 -0.849 -4.293 -0.661 1.00 0.00 C ATOM 1090 C PHE 1 66 -0.823 -5.544 0.210 1.00 0.00 C ATOM 1091 O PHE 1 66 -1.866 -6.134 0.511 1.00 0.00 O ATOM 1092 CB PHE 1 66 -0.692 -3.076 0.222 1.00 0.00 C ATOM 1093 CG PHE 1 66 -0.540 -1.773 -0.512 1.00 0.00 C ATOM 1094 CD1 PHE 1 66 -1.657 -1.126 -1.017 1.00 0.00 C ATOM 1095 CD2 PHE 1 66 0.705 -1.195 -0.691 1.00 0.00 C ATOM 1096 CE1 PHE 1 66 -1.536 0.075 -1.688 1.00 0.00 C ATOM 1097 CE2 PHE 1 66 0.834 0.006 -1.363 1.00 0.00 C ATOM 1098 CZ PHE 1 66 -0.288 0.641 -1.862 1.00 0.00 C ATOM 0 H PHE 1 66 -2.889 -4.451 -0.744 1.00 0.00 H new ATOM 0 HA PHE 1 66 -0.039 -4.342 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE 1 66 -1.560 -3.007 0.878 1.00 0.00 H new ATOM 0 HB3 PHE 1 66 0.179 -3.219 0.861 1.00 0.00 H new ATOM 0 HD1 PHE 1 66 -2.634 -1.567 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE 1 66 1.584 -1.687 -0.302 1.00 0.00 H new ATOM 0 HE1 PHE 1 66 -2.414 0.570 -2.075 1.00 0.00 H new ATOM 0 HE2 PHE 1 66 1.810 0.448 -1.498 1.00 0.00 H new ATOM 0 HZ PHE 1 66 -0.189 1.579 -2.388 1.00 0.00 H new ATOM 1108 N VAL 1 67 0.378 -5.939 0.591 1.00 0.00 N ATOM 1109 CA VAL 1 67 0.605 -7.087 1.463 1.00 0.00 C ATOM 1110 C VAL 1 67 1.790 -6.773 2.333 1.00 0.00 C ATOM 1111 O VAL 1 67 2.859 -6.387 1.858 1.00 0.00 O ATOM 1112 CB VAL 1 67 0.833 -8.434 0.705 1.00 0.00 C ATOM 1113 CG1 VAL 1 67 1.226 -9.565 1.662 1.00 0.00 C ATOM 1114 CG2 VAL 1 67 -0.403 -8.853 -0.087 1.00 0.00 C ATOM 0 H VAL 1 67 1.236 -5.469 0.303 1.00 0.00 H new ATOM 0 HA VAL 1 67 -0.301 -7.242 2.049 1.00 0.00 H new ATOM 0 HB VAL 1 67 1.655 -8.258 0.011 1.00 0.00 H new ATOM 0 HG11 VAL 1 67 1.376 -10.485 1.096 1.00 0.00 H new ATOM 0 HG12 VAL 1 67 2.150 -9.301 2.177 1.00 0.00 H new ATOM 0 HG13 VAL 1 67 0.432 -9.714 2.394 1.00 0.00 H new ATOM 0 HG21 VAL 1 67 -0.205 -9.794 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL 1 67 -1.245 -8.981 0.593 1.00 0.00 H new ATOM 0 HG23 VAL 1 67 -0.643 -8.083 -0.821 1.00 0.00 H new ATOM 1124 N THR 1 68 1.567 -6.965 3.606 1.00 0.00 N ATOM 1125 CA THR 1 68 2.545 -6.678 4.610 1.00 0.00 C ATOM 1126 C THR 1 68 3.201 -7.934 5.132 1.00 0.00 C ATOM 1127 O THR 1 68 2.613 -8.699 5.896 1.00 0.00 O ATOM 1128 CB THR 1 68 1.913 -5.902 5.747 1.00 0.00 C ATOM 1129 OG1 THR 1 68 0.880 -5.057 5.214 1.00 0.00 O ATOM 1130 CG2 THR 1 68 2.973 -5.085 6.481 1.00 0.00 C ATOM 0 H THR 1 68 0.689 -7.330 3.975 1.00 0.00 H new ATOM 0 HA THR 1 68 3.324 -6.070 4.149 1.00 0.00 H new ATOM 0 HB THR 1 68 1.471 -6.590 6.468 1.00 0.00 H new ATOM 0 HG1 THR 1 68 0.463 -4.551 5.942 1.00 0.00 H new ATOM 0 HG21 THR 1 68 2.506 -4.532 7.296 1.00 0.00 H new ATOM 0 HG22 THR 1 68 3.733 -5.754 6.885 1.00 0.00 H new ATOM 0 HG23 THR 1 68 3.438 -4.385 5.787 1.00 0.00 H new ATOM 1138 N PHE 1 69 4.438 -8.105 4.710 1.00 0.00 N ATOM 1139 CA PHE 1 69 5.254 -9.230 5.093 1.00 0.00 C ATOM 1140 C PHE 1 69 5.957 -8.989 6.430 1.00 0.00 C ATOM 1141 O PHE 1 69 6.680 -8.001 6.590 1.00 0.00 O ATOM 1142 CB PHE 1 69 6.264 -9.503 3.996 1.00 0.00 C ATOM 1143 CG PHE 1 69 5.699 -10.327 2.882 1.00 0.00 C ATOM 1144 CD1 PHE 1 69 5.667 -11.708 2.977 1.00 0.00 C ATOM 1145 CD2 PHE 1 69 5.183 -9.724 1.747 1.00 0.00 C ATOM 1146 CE1 PHE 1 69 5.141 -12.473 1.962 1.00 0.00 C ATOM 1147 CE2 PHE 1 69 4.654 -10.488 0.724 1.00 0.00 C ATOM 1148 CZ PHE 1 69 4.635 -11.865 0.836 1.00 0.00 C ATOM 0 H PHE 1 69 4.908 -7.453 4.081 1.00 0.00 H new ATOM 0 HA PHE 1 69 4.611 -10.100 5.225 1.00 0.00 H new ATOM 0 HB2 PHE 1 69 6.624 -8.555 3.595 1.00 0.00 H new ATOM 0 HB3 PHE 1 69 7.126 -10.017 4.421 1.00 0.00 H new ATOM 0 HD1 PHE 1 69 6.060 -12.191 3.859 1.00 0.00 H new ATOM 0 HD2 PHE 1 69 5.194 -8.648 1.661 1.00 0.00 H new ATOM 0 HE1 PHE 1 69 5.125 -13.549 2.049 1.00 0.00 H new ATOM 0 HE2 PHE 1 69 4.257 -10.010 -0.160 1.00 0.00 H new ATOM 0 HZ PHE 1 69 4.222 -12.465 0.039 1.00 0.00 H new ATOM 1158 N ALA 1 70 5.738 -9.907 7.384 1.00 0.00 N ATOM 1159 CA ALA 1 70 6.326 -9.807 8.727 1.00 0.00 C ATOM 1160 C ALA 1 70 7.819 -10.125 8.779 1.00 0.00 C ATOM 1161 O ALA 1 70 8.443 -10.099 9.847 1.00 0.00 O ATOM 1162 CB ALA 1 70 5.551 -10.668 9.715 1.00 0.00 C ATOM 0 H ALA 1 70 5.154 -10.732 7.248 1.00 0.00 H new ATOM 0 HA ALA 1 70 6.241 -8.759 9.015 1.00 0.00 H new ATOM 0 HB1 ALA 1 70 6.001 -10.581 10.704 1.00 0.00 H new ATOM 0 HB2 ALA 1 70 4.515 -10.331 9.757 1.00 0.00 H new ATOM 0 HB3 ALA 1 70 5.581 -11.709 9.393 1.00 0.00 H new ATOM 1168 N ASP 1 71 8.367 -10.398 7.618 1.00 0.00 N ATOM 1169 CA ASP 1 71 9.764 -10.713 7.460 1.00 0.00 C ATOM 1170 C ASP 1 71 10.398 -9.871 6.357 1.00 0.00 C ATOM 1171 O ASP 1 71 9.803 -9.722 5.284 1.00 0.00 O ATOM 1172 CB ASP 1 71 9.932 -12.173 7.087 1.00 0.00 C ATOM 1173 CG ASP 1 71 11.268 -12.760 7.511 1.00 0.00 C ATOM 1174 OD1 ASP 1 71 11.268 -13.728 8.300 1.00 0.00 O ATOM 1175 OD2 ASP 1 71 12.312 -12.249 7.059 1.00 0.00 O ATOM 0 H ASP 1 71 7.844 -10.407 6.743 1.00 0.00 H new ATOM 0 HA ASP 1 71 10.254 -10.500 8.410 1.00 0.00 H new ATOM 0 HB2 ASP 1 71 9.129 -12.751 7.545 1.00 0.00 H new ATOM 0 HB3 ASP 1 71 9.825 -12.278 6.007 1.00 0.00 H new ATOM 1180 N PRO 1 72 11.611 -9.297 6.590 1.00 0.00 N ATOM 1181 CA PRO 1 72 12.321 -8.535 5.557 1.00 0.00 C ATOM 1182 C PRO 1 72 12.908 -9.437 4.489 1.00 0.00 C ATOM 1183 O PRO 1 72 13.270 -8.981 3.400 1.00 0.00 O ATOM 1184 CB PRO 1 72 13.453 -7.850 6.296 1.00 0.00 C ATOM 1185 CG PRO 1 72 13.207 -8.062 7.751 1.00 0.00 C ATOM 1186 CD PRO 1 72 12.371 -9.302 7.860 1.00 0.00 C ATOM 0 HA PRO 1 72 11.645 -7.846 5.050 1.00 0.00 H new ATOM 0 HB2 PRO 1 72 14.416 -8.268 6.002 1.00 0.00 H new ATOM 0 HB3 PRO 1 72 13.481 -6.786 6.060 1.00 0.00 H new ATOM 0 HG2 PRO 1 72 14.147 -8.178 8.291 1.00 0.00 H new ATOM 0 HG3 PRO 1 72 12.692 -7.206 8.187 1.00 0.00 H new ATOM 0 HD2 PRO 1 72 12.985 -10.197 7.960 1.00 0.00 H new ATOM 0 HD3 PRO 1 72 11.711 -9.270 8.727 1.00 0.00 H new ATOM 1194 N ALA 1 73 12.992 -10.722 4.826 1.00 0.00 N ATOM 1195 CA ALA 1 73 13.544 -11.730 3.926 1.00 0.00 C ATOM 1196 C ALA 1 73 12.551 -12.119 2.847 1.00 0.00 C ATOM 1197 O ALA 1 73 12.933 -12.432 1.716 1.00 0.00 O ATOM 1198 CB ALA 1 73 14.002 -12.959 4.696 1.00 0.00 C ATOM 0 H ALA 1 73 12.681 -11.091 5.725 1.00 0.00 H new ATOM 0 HA ALA 1 73 14.412 -11.286 3.438 1.00 0.00 H new ATOM 0 HB1 ALA 1 73 14.409 -13.693 4.001 1.00 0.00 H new ATOM 0 HB2 ALA 1 73 14.772 -12.673 5.413 1.00 0.00 H new ATOM 0 HB3 ALA 1 73 13.154 -13.393 5.227 1.00 0.00 H new ATOM 1204 N SER 1 74 11.274 -12.074 3.214 1.00 0.00 N ATOM 1205 CA SER 1 74 10.180 -12.418 2.301 1.00 0.00 C ATOM 1206 C SER 1 74 10.020 -11.369 1.208 1.00 0.00 C ATOM 1207 O SER 1 74 9.647 -11.681 0.074 1.00 0.00 O ATOM 1208 CB SER 1 74 8.876 -12.613 3.063 1.00 0.00 C ATOM 1209 OG SER 1 74 7.985 -13.434 2.330 1.00 0.00 O ATOM 0 H SER 1 74 10.965 -11.800 4.147 1.00 0.00 H new ATOM 0 HA SER 1 74 10.435 -13.362 1.819 1.00 0.00 H new ATOM 0 HB2 SER 1 74 9.080 -13.066 4.033 1.00 0.00 H new ATOM 0 HB3 SER 1 74 8.413 -11.645 3.254 1.00 0.00 H new ATOM 0 HG SER 1 74 7.062 -13.212 2.572 1.00 0.00 H new ATOM 1215 N VAL 1 75 10.319 -10.122 1.579 1.00 0.00 N ATOM 1216 CA VAL 1 75 10.258 -8.978 0.669 1.00 0.00 C ATOM 1217 C VAL 1 75 11.385 -9.074 -0.351 1.00 0.00 C ATOM 1218 O VAL 1 75 11.234 -8.671 -1.499 1.00 0.00 O ATOM 1219 CB VAL 1 75 10.360 -7.622 1.432 1.00 0.00 C ATOM 1220 CG1 VAL 1 75 9.952 -6.444 0.549 1.00 0.00 C ATOM 1221 CG2 VAL 1 75 9.520 -7.627 2.708 1.00 0.00 C ATOM 0 H VAL 1 75 10.612 -9.877 2.525 1.00 0.00 H new ATOM 0 HA VAL 1 75 9.292 -9.006 0.165 1.00 0.00 H new ATOM 0 HB VAL 1 75 11.408 -7.501 1.708 1.00 0.00 H new ATOM 0 HG11 VAL 1 75 10.037 -5.517 1.117 1.00 0.00 H new ATOM 0 HG12 VAL 1 75 10.607 -6.398 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL 1 75 8.921 -6.575 0.221 1.00 0.00 H new ATOM 0 HG21 VAL 1 75 9.617 -6.665 3.211 1.00 0.00 H new ATOM 0 HG22 VAL 1 75 8.474 -7.800 2.454 1.00 0.00 H new ATOM 0 HG23 VAL 1 75 9.869 -8.420 3.370 1.00 0.00 H new ATOM 1231 N ASP 1 76 12.500 -9.642 0.103 1.00 0.00 N ATOM 1232 CA ASP 1 76 13.683 -9.847 -0.720 1.00 0.00 C ATOM 1233 C ASP 1 76 13.432 -10.964 -1.730 1.00 0.00 C ATOM 1234 O ASP 1 76 13.791 -10.866 -2.907 1.00 0.00 O ATOM 1235 CB ASP 1 76 14.856 -10.212 0.186 1.00 0.00 C ATOM 1236 CG ASP 1 76 16.200 -9.788 -0.380 1.00 0.00 C ATOM 1237 OD1 ASP 1 76 16.733 -8.752 0.070 1.00 0.00 O ATOM 1238 OD2 ASP 1 76 16.717 -10.492 -1.273 1.00 0.00 O ATOM 0 H ASP 1 76 12.606 -9.975 1.061 1.00 0.00 H new ATOM 0 HA ASP 1 76 13.913 -8.933 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP 1 76 14.715 -9.744 1.160 1.00 0.00 H new ATOM 0 HB3 ASP 1 76 14.860 -11.290 0.348 1.00 0.00 H new ATOM 1243 N LYS 1 77 12.782 -12.007 -1.224 1.00 0.00 N ATOM 1244 CA LYS 1 77 12.420 -13.194 -1.997 1.00 0.00 C ATOM 1245 C LYS 1 77 11.354 -12.901 -3.056 1.00 0.00 C ATOM 1246 O LYS 1 77 11.438 -13.398 -4.182 1.00 0.00 O ATOM 1247 CB LYS 1 77 11.927 -14.311 -1.069 1.00 0.00 C ATOM 1248 CG LYS 1 77 13.006 -14.922 -0.187 1.00 0.00 C ATOM 1249 CD LYS 1 77 12.608 -16.318 0.277 1.00 0.00 C ATOM 1250 CE LYS 1 77 13.730 -17.004 1.044 1.00 0.00 C ATOM 1251 NZ LYS 1 77 14.824 -17.464 0.144 1.00 0.00 N ATOM 0 H LYS 1 77 12.486 -12.054 -0.249 1.00 0.00 H new ATOM 0 HA LYS 1 77 13.323 -13.516 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 11.137 -13.914 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 11.482 -15.100 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 13.945 -14.972 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 13.178 -14.283 0.679 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 11.723 -16.251 0.910 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 12.336 -16.924 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 14.136 -16.315 1.785 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 13.327 -17.857 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 15.550 -17.955 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 14.437 -18.115 -0.568 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 15.250 -16.643 -0.332 1.00 0.00 H new ATOM 1265 N VAL 1 78 10.386 -12.056 -2.692 1.00 0.00 N ATOM 1266 CA VAL 1 78 9.281 -11.689 -3.584 1.00 0.00 C ATOM 1267 C VAL 1 78 9.697 -10.582 -4.566 1.00 0.00 C ATOM 1268 O VAL 1 78 9.205 -10.543 -5.696 1.00 0.00 O ATOM 1269 CB VAL 1 78 8.004 -11.275 -2.781 1.00 0.00 C ATOM 1270 CG1 VAL 1 78 6.883 -10.772 -3.694 1.00 0.00 C ATOM 1271 CG2 VAL 1 78 7.493 -12.450 -1.952 1.00 0.00 C ATOM 0 H VAL 1 78 10.345 -11.609 -1.776 1.00 0.00 H new ATOM 0 HA VAL 1 78 9.030 -12.576 -4.166 1.00 0.00 H new ATOM 0 HB VAL 1 78 8.295 -10.456 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL 1 78 6.018 -10.497 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL 1 78 7.230 -9.901 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL 1 78 6.602 -11.560 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL 1 78 6.604 -12.146 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL 1 78 7.243 -13.280 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL 1 78 8.266 -12.764 -1.251 1.00 0.00 H new ATOM 1281 N LEU 1 79 10.598 -9.686 -4.127 1.00 0.00 N ATOM 1282 CA LEU 1 79 11.084 -8.594 -4.958 1.00 0.00 C ATOM 1283 C LEU 1 79 11.914 -9.130 -6.131 1.00 0.00 C ATOM 1284 O LEU 1 79 11.920 -8.543 -7.218 1.00 0.00 O ATOM 1285 CB LEU 1 79 11.933 -7.656 -4.101 1.00 0.00 C ATOM 1286 CG LEU 1 79 11.798 -6.148 -4.374 1.00 0.00 C ATOM 1287 CD1 LEU 1 79 12.697 -5.361 -3.435 1.00 0.00 C ATOM 1288 CD2 LEU 1 79 12.112 -5.790 -5.824 1.00 0.00 C ATOM 0 H LEU 1 79 11.002 -9.706 -3.191 1.00 0.00 H new ATOM 0 HA LEU 1 79 10.232 -8.051 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU 1 79 11.684 -7.835 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU 1 79 12.979 -7.932 -4.232 1.00 0.00 H new ATOM 0 HG LEU 1 79 10.757 -5.880 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU 1 79 12.592 -4.295 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU 1 79 12.411 -5.563 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU 1 79 13.734 -5.659 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU 1 79 12.002 -4.715 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU 1 79 13.135 -6.084 -6.058 1.00 0.00 H new ATOM 0 HD23 LEU 1 79 11.423 -6.315 -6.486 1.00 0.00 H new ATOM 1300 N GLY 1 80 12.604 -10.259 -5.890 1.00 0.00 N ATOM 1301 CA GLY 1 80 13.419 -10.894 -6.912 1.00 0.00 C ATOM 1302 C GLY 1 80 12.604 -11.621 -7.972 1.00 0.00 C ATOM 1303 O GLY 1 80 13.133 -11.982 -9.027 1.00 0.00 O ATOM 0 H GLY 1 80 12.606 -10.742 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY 1 80 14.037 -10.137 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY 1 80 14.097 -11.603 -6.437 1.00 0.00 H new ATOM 1307 N GLN 1 81 11.318 -11.844 -7.676 1.00 0.00 N ATOM 1308 CA GLN 1 81 10.407 -12.507 -8.588 1.00 0.00 C ATOM 1309 C GLN 1 81 9.612 -11.470 -9.411 1.00 0.00 C ATOM 1310 O GLN 1 81 8.648 -10.885 -8.902 1.00 0.00 O ATOM 1311 CB GLN 1 81 9.466 -13.391 -7.779 1.00 0.00 C ATOM 1312 CG GLN 1 81 10.123 -14.644 -7.229 1.00 0.00 C ATOM 1313 CD GLN 1 81 10.038 -15.824 -8.180 1.00 0.00 C ATOM 1314 OE1 GLN 1 81 9.110 -16.628 -8.107 1.00 0.00 O ATOM 1315 NE2 GLN 1 81 11.002 -15.924 -9.086 1.00 0.00 N ATOM 0 H GLN 1 81 10.889 -11.566 -6.794 1.00 0.00 H new ATOM 0 HA GLN 1 81 10.971 -13.121 -9.290 1.00 0.00 H new ATOM 0 HB2 GLN 1 81 9.061 -12.811 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN 1 81 8.624 -13.680 -8.408 1.00 0.00 H new ATOM 0 HG2 GLN 1 81 11.170 -14.433 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN 1 81 9.650 -14.911 -6.284 1.00 0.00 H new ATOM 0 HE21 GLN 1 81 11.753 -15.234 -9.110 1.00 0.00 H new ATOM 0 HE22 GLN 1 81 10.992 -16.691 -9.759 1.00 0.00 H new ATOM 1324 N PRO 1 82 10.019 -11.197 -10.692 1.00 0.00 N ATOM 1325 CA PRO 1 82 9.327 -10.220 -11.555 1.00 0.00 C ATOM 1326 C PRO 1 82 8.021 -10.751 -12.157 1.00 0.00 C ATOM 1327 O PRO 1 82 7.060 -9.993 -12.319 1.00 0.00 O ATOM 1328 CB PRO 1 82 10.338 -9.927 -12.681 1.00 0.00 C ATOM 1329 CG PRO 1 82 11.585 -10.678 -12.333 1.00 0.00 C ATOM 1330 CD PRO 1 82 11.177 -11.781 -11.401 1.00 0.00 C ATOM 0 HA PRO 1 82 9.035 -9.343 -10.978 1.00 0.00 H new ATOM 0 HB2 PRO 1 82 9.948 -10.248 -13.647 1.00 0.00 H new ATOM 0 HB3 PRO 1 82 10.536 -8.858 -12.757 1.00 0.00 H new ATOM 0 HG2 PRO 1 82 12.056 -11.083 -13.229 1.00 0.00 H new ATOM 0 HG3 PRO 1 82 12.314 -10.020 -11.859 1.00 0.00 H new ATOM 0 HD2 PRO 1 82 10.905 -12.688 -11.941 1.00 0.00 H new ATOM 0 HD3 PRO 1 82 11.980 -12.048 -10.714 1.00 0.00 H new ATOM 1338 N HIS 1 83 7.992 -12.054 -12.473 1.00 0.00 N ATOM 1339 CA HIS 1 83 6.816 -12.686 -13.068 1.00 0.00 C ATOM 1340 C HIS 1 83 5.887 -13.250 -11.987 1.00 0.00 C ATOM 1341 O HIS 1 83 6.303 -14.067 -11.160 1.00 0.00 O ATOM 1342 CB HIS 1 83 7.256 -13.793 -14.030 1.00 0.00 C ATOM 1343 CG HIS 1 83 6.263 -14.078 -15.117 1.00 0.00 C ATOM 1344 ND1 HIS 1 83 6.227 -13.374 -16.303 1.00 0.00 N ATOM 1345 CD2 HIS 1 83 5.257 -14.983 -15.189 1.00 0.00 C ATOM 1346 CE1 HIS 1 83 5.243 -13.831 -17.055 1.00 0.00 C ATOM 1347 NE2 HIS 1 83 4.640 -14.808 -16.403 1.00 0.00 N ATOM 0 H HIS 1 83 8.776 -12.689 -12.324 1.00 0.00 H new ATOM 0 HA HIS 1 83 6.259 -11.931 -13.623 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 8.206 -13.511 -14.483 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 7.432 -14.707 -13.462 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 4.990 -15.707 -14.433 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 4.977 -13.468 -18.036 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 3.844 -15.346 -16.746 1.00 0.00 H new ATOM 1356 N HIS 1 84 4.636 -12.775 -11.999 1.00 0.00 N ATOM 1357 CA HIS 1 84 3.612 -13.204 -11.056 1.00 0.00 C ATOM 1358 C HIS 1 84 2.290 -13.358 -11.794 1.00 0.00 C ATOM 1359 O HIS 1 84 1.801 -12.406 -12.412 1.00 0.00 O ATOM 1360 CB HIS 1 84 3.475 -12.185 -9.928 1.00 0.00 C ATOM 1361 CG HIS 1 84 3.454 -12.805 -8.566 1.00 0.00 C ATOM 1362 ND1 HIS 1 84 2.290 -13.130 -7.903 1.00 0.00 N ATOM 1363 CD2 HIS 1 84 4.467 -13.172 -7.747 1.00 0.00 C ATOM 1364 CE1 HIS 1 84 2.588 -13.672 -6.734 1.00 0.00 C ATOM 1365 NE2 HIS 1 84 3.901 -13.708 -6.617 1.00 0.00 N ATOM 0 H HIS 1 84 4.310 -12.079 -12.669 1.00 0.00 H new ATOM 0 HA HIS 1 84 3.896 -14.161 -10.619 1.00 0.00 H new ATOM 0 HB2 HIS 1 84 4.303 -11.478 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS 1 84 2.558 -11.614 -10.073 1.00 0.00 H new ATOM 0 HD2 HIS 1 84 5.523 -13.063 -7.945 1.00 0.00 H new ATOM 0 HE1 HIS 1 84 1.878 -14.025 -6.001 1.00 0.00 H new ATOM 0 HE2 HIS 1 84 4.414 -14.075 -5.815 1.00 0.00 H new ATOM 1374 N GLU 1 85 1.724 -14.557 -11.726 1.00 0.00 N ATOM 1375 CA GLU 1 85 0.492 -14.854 -12.386 1.00 0.00 C ATOM 1376 C GLU 1 85 -0.602 -15.151 -11.380 1.00 0.00 C ATOM 1377 O GLU 1 85 -0.415 -15.891 -10.409 1.00 0.00 O ATOM 1378 CB GLU 1 85 0.670 -16.037 -13.345 1.00 0.00 C ATOM 1379 CG GLU 1 85 -0.165 -15.930 -14.613 1.00 0.00 C ATOM 1380 CD GLU 1 85 0.055 -17.098 -15.556 1.00 0.00 C ATOM 1381 OE1 GLU 1 85 0.913 -16.981 -16.456 1.00 0.00 O ATOM 1382 OE2 GLU 1 85 -0.631 -18.129 -15.392 1.00 0.00 O ATOM 0 H GLU 1 85 2.120 -15.341 -11.207 1.00 0.00 H new ATOM 0 HA GLU 1 85 0.196 -13.978 -12.963 1.00 0.00 H new ATOM 0 HB2 GLU 1 85 1.722 -16.115 -13.619 1.00 0.00 H new ATOM 0 HB3 GLU 1 85 0.407 -16.958 -12.824 1.00 0.00 H new ATOM 0 HG2 GLU 1 85 -1.220 -15.878 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU 1 85 0.080 -15.001 -15.128 1.00 0.00 H new ATOM 1389 N LEU 1 86 -1.735 -14.542 -11.656 1.00 0.00 N ATOM 1390 CA LEU 1 86 -2.942 -14.656 -10.891 1.00 0.00 C ATOM 1391 C LEU 1 86 -4.096 -14.631 -11.875 1.00 0.00 C ATOM 1392 O LEU 1 86 -4.153 -13.779 -12.762 1.00 0.00 O ATOM 1393 CB LEU 1 86 -3.052 -13.494 -9.901 1.00 0.00 C ATOM 1394 CG LEU 1 86 -4.432 -13.268 -9.281 1.00 0.00 C ATOM 1395 CD1 LEU 1 86 -4.689 -14.210 -8.110 1.00 0.00 C ATOM 1396 CD2 LEU 1 86 -4.591 -11.821 -8.854 1.00 0.00 C ATOM 0 H LEU 1 86 -1.836 -13.925 -12.462 1.00 0.00 H new ATOM 0 HA LEU 1 86 -2.952 -15.580 -10.313 1.00 0.00 H new ATOM 0 HB2 LEU 1 86 -2.337 -13.660 -9.095 1.00 0.00 H new ATOM 0 HB3 LEU 1 86 -2.751 -12.579 -10.411 1.00 0.00 H new ATOM 0 HG LEU 1 86 -5.177 -13.491 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU 1 86 -5.680 -14.017 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU 1 86 -4.635 -15.243 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU 1 86 -3.937 -14.045 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU 1 86 -5.578 -11.678 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU 1 86 -3.827 -11.573 -8.117 1.00 0.00 H new ATOM 0 HD23 LEU 1 86 -4.482 -11.171 -9.722 1.00 0.00 H new ATOM 1408 N ASP 1 87 -5.012 -15.570 -11.687 1.00 0.00 N ATOM 1409 CA ASP 1 87 -6.208 -15.754 -12.530 1.00 0.00 C ATOM 1410 C ASP 1 87 -5.843 -15.827 -14.014 1.00 0.00 C ATOM 1411 O ASP 1 87 -6.563 -15.356 -14.903 1.00 0.00 O ATOM 1412 CB ASP 1 87 -7.161 -14.623 -12.238 1.00 0.00 C ATOM 1413 CG ASP 1 87 -8.582 -14.868 -12.724 1.00 0.00 C ATOM 1414 OD1 ASP 1 87 -8.900 -14.455 -13.858 1.00 0.00 O ATOM 1415 OD2 ASP 1 87 -9.370 -15.475 -11.969 1.00 0.00 O ATOM 0 H ASP 1 87 -4.952 -16.248 -10.927 1.00 0.00 H new ATOM 0 HA ASP 1 87 -6.687 -16.704 -12.295 1.00 0.00 H new ATOM 0 HB2 ASP 1 87 -7.181 -14.448 -11.162 1.00 0.00 H new ATOM 0 HB3 ASP 1 87 -6.781 -13.713 -12.702 1.00 0.00 H new ATOM 1420 N SER 1 88 -4.702 -16.466 -14.229 1.00 0.00 N ATOM 1421 CA SER 1 88 -4.090 -16.695 -15.557 1.00 0.00 C ATOM 1422 C SER 1 88 -3.563 -15.390 -16.189 1.00 0.00 C ATOM 1423 O SER 1 88 -3.153 -15.381 -17.357 1.00 0.00 O ATOM 1424 CB SER 1 88 -5.064 -17.411 -16.518 1.00 0.00 C ATOM 1425 OG SER 1 88 -4.391 -17.871 -17.678 1.00 0.00 O ATOM 0 H SER 1 88 -4.148 -16.857 -13.467 1.00 0.00 H new ATOM 0 HA SER 1 88 -3.234 -17.349 -15.393 1.00 0.00 H new ATOM 0 HB2 SER 1 88 -5.531 -18.253 -16.007 1.00 0.00 H new ATOM 0 HB3 SER 1 88 -5.864 -16.729 -16.805 1.00 0.00 H new ATOM 0 HG SER 1 88 -3.804 -17.164 -18.017 1.00 0.00 H new ATOM 1431 N LYS 1 89 -3.555 -14.296 -15.406 1.00 0.00 N ATOM 1432 CA LYS 1 89 -3.065 -13.017 -15.882 1.00 0.00 C ATOM 1433 C LYS 1 89 -1.930 -12.528 -15.007 1.00 0.00 C ATOM 1434 O LYS 1 89 -1.839 -12.842 -13.818 1.00 0.00 O ATOM 1435 CB LYS 1 89 -4.167 -11.939 -15.989 1.00 0.00 C ATOM 1436 CG LYS 1 89 -5.262 -11.989 -14.927 1.00 0.00 C ATOM 1437 CD LYS 1 89 -6.248 -10.844 -15.100 1.00 0.00 C ATOM 1438 CE LYS 1 89 -7.384 -10.924 -14.092 1.00 0.00 C ATOM 1439 NZ LYS 1 89 -8.374 -9.827 -14.286 1.00 0.00 N ATOM 0 H LYS 1 89 -3.886 -14.286 -14.441 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.700 -13.185 -16.895 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.693 -10.958 -15.947 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.636 -12.024 -16.969 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.790 -12.940 -14.990 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.813 -11.939 -13.935 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -5.726 -9.894 -14.986 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.656 -10.864 -16.111 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -7.886 -11.887 -14.185 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -6.978 -10.873 -13.082 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -9.133 -9.915 -13.580 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -7.901 -8.908 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -8.780 -9.891 -15.241 1.00 0.00 H new ATOM 1453 N THR 1 90 -1.082 -11.751 -15.643 1.00 0.00 N ATOM 1454 CA THR 1 90 0.114 -11.167 -15.026 1.00 0.00 C ATOM 1455 C THR 1 90 -0.227 -9.908 -14.213 1.00 0.00 C ATOM 1456 O THR 1 90 -0.807 -8.956 -14.743 1.00 0.00 O ATOM 1457 CB THR 1 90 1.166 -10.813 -16.108 1.00 0.00 C ATOM 1458 OG1 THR 1 90 1.168 -11.811 -17.139 1.00 0.00 O ATOM 1459 CG2 THR 1 90 2.571 -10.705 -15.519 1.00 0.00 C ATOM 0 H THR 1 90 -1.196 -11.495 -16.624 1.00 0.00 H new ATOM 0 HA THR 1 90 0.526 -11.914 -14.348 1.00 0.00 H new ATOM 0 HB THR 1 90 0.890 -9.844 -16.523 1.00 0.00 H new ATOM 0 HG1 THR 1 90 1.834 -11.578 -17.819 1.00 0.00 H new ATOM 0 HG21 THR 1 90 3.279 -10.456 -16.310 1.00 0.00 H new ATOM 0 HG22 THR 1 90 2.587 -9.925 -14.758 1.00 0.00 H new ATOM 0 HG23 THR 1 90 2.851 -11.657 -15.069 1.00 0.00 H new ATOM 1467 N ILE 1 91 0.150 -9.924 -12.930 1.00 0.00 N ATOM 1468 CA ILE 1 91 -0.091 -8.798 -12.021 1.00 0.00 C ATOM 1469 C ILE 1 91 1.243 -8.124 -11.651 1.00 0.00 C ATOM 1470 O ILE 1 91 2.307 -8.678 -11.953 1.00 0.00 O ATOM 1471 CB ILE 1 91 -0.935 -9.234 -10.786 1.00 0.00 C ATOM 1472 CG1 ILE 1 91 -0.270 -10.316 -9.937 1.00 0.00 C ATOM 1473 CG2 ILE 1 91 -2.295 -9.733 -11.270 1.00 0.00 C ATOM 1474 CD1 ILE 1 91 -0.872 -10.445 -8.547 1.00 0.00 C ATOM 0 H ILE 1 91 0.628 -10.713 -12.494 1.00 0.00 H new ATOM 0 HA ILE 1 91 -0.694 -8.046 -12.531 1.00 0.00 H new ATOM 0 HB ILE 1 91 -1.035 -8.359 -10.144 1.00 0.00 H new ATOM 0 HG12 ILE 1 91 -0.353 -11.273 -10.451 1.00 0.00 H new ATOM 0 HG13 ILE 1 91 0.793 -10.094 -9.846 1.00 0.00 H new ATOM 0 HG21 ILE 1 91 -2.895 -10.041 -10.414 1.00 0.00 H new ATOM 0 HG22 ILE 1 91 -2.808 -8.932 -11.803 1.00 0.00 H new ATOM 0 HG23 ILE 1 91 -2.154 -10.582 -11.939 1.00 0.00 H new ATOM 0 HD11 ILE 1 91 -0.354 -11.231 -7.997 1.00 0.00 H new ATOM 0 HD12 ILE 1 91 -0.766 -9.500 -8.015 1.00 0.00 H new ATOM 0 HD13 ILE 1 91 -1.929 -10.697 -8.630 1.00 0.00 H new ATOM 1486 N ASP 1 92 1.206 -6.941 -11.013 1.00 0.00 N ATOM 1487 CA ASP 1 92 2.444 -6.224 -10.728 1.00 0.00 C ATOM 1488 C ASP 1 92 2.751 -6.026 -9.224 1.00 0.00 C ATOM 1489 O ASP 1 92 2.363 -5.005 -8.641 1.00 0.00 O ATOM 1490 CB ASP 1 92 2.390 -4.873 -11.447 1.00 0.00 C ATOM 1491 CG ASP 1 92 3.764 -4.273 -11.702 1.00 0.00 C ATOM 1492 OD1 ASP 1 92 4.281 -3.573 -10.806 1.00 0.00 O ATOM 1493 OD2 ASP 1 92 4.321 -4.506 -12.795 1.00 0.00 O ATOM 0 H ASP 1 92 0.354 -6.478 -10.696 1.00 0.00 H new ATOM 0 HA ASP 1 92 3.263 -6.843 -11.094 1.00 0.00 H new ATOM 0 HB2 ASP 1 92 1.872 -4.996 -12.398 1.00 0.00 H new ATOM 0 HB3 ASP 1 92 1.801 -4.175 -10.851 1.00 0.00 H new ATOM 1498 N PRO 1 93 3.426 -7.014 -8.555 1.00 0.00 N ATOM 1499 CA PRO 1 93 3.837 -6.871 -7.150 1.00 0.00 C ATOM 1500 C PRO 1 93 5.165 -6.105 -7.030 1.00 0.00 C ATOM 1501 O PRO 1 93 6.172 -6.500 -7.626 1.00 0.00 O ATOM 1502 CB PRO 1 93 4.002 -8.327 -6.664 1.00 0.00 C ATOM 1503 CG PRO 1 93 3.623 -9.200 -7.824 1.00 0.00 C ATOM 1504 CD PRO 1 93 3.771 -8.356 -9.059 1.00 0.00 C ATOM 0 HA PRO 1 93 3.115 -6.304 -6.562 1.00 0.00 H new ATOM 0 HB2 PRO 1 93 5.028 -8.519 -6.351 1.00 0.00 H new ATOM 0 HB3 PRO 1 93 3.364 -8.525 -5.803 1.00 0.00 H new ATOM 0 HG2 PRO 1 93 4.266 -10.078 -7.875 1.00 0.00 H new ATOM 0 HG3 PRO 1 93 2.599 -9.560 -7.720 1.00 0.00 H new ATOM 0 HD2 PRO 1 93 4.784 -8.393 -9.460 1.00 0.00 H new ATOM 0 HD3 PRO 1 93 3.101 -8.678 -9.856 1.00 0.00 H new ATOM 1512 N LYS 1 94 5.154 -5.007 -6.255 1.00 0.00 N ATOM 1513 CA LYS 1 94 6.358 -4.171 -6.060 1.00 0.00 C ATOM 1514 C LYS 1 94 6.325 -3.441 -4.714 1.00 0.00 C ATOM 1515 O LYS 1 94 5.269 -2.982 -4.279 1.00 0.00 O ATOM 1516 CB LYS 1 94 6.547 -3.160 -7.219 1.00 0.00 C ATOM 1517 CG LYS 1 94 5.300 -2.357 -7.608 1.00 0.00 C ATOM 1518 CD LYS 1 94 5.261 -1.004 -6.917 1.00 0.00 C ATOM 1519 CE LYS 1 94 4.105 -0.156 -7.427 1.00 0.00 C ATOM 1520 NZ LYS 1 94 4.037 1.164 -6.743 1.00 0.00 N ATOM 0 H LYS 1 94 4.330 -4.676 -5.754 1.00 0.00 H new ATOM 0 HA LYS 1 94 7.213 -4.847 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS 1 94 7.336 -2.461 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS 1 94 6.896 -3.703 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS 1 94 5.282 -2.214 -8.688 1.00 0.00 H new ATOM 0 HG3 LYS 1 94 4.407 -2.924 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS 1 94 5.164 -1.146 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS 1 94 6.202 -0.480 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS 1 94 4.214 -0.003 -8.501 1.00 0.00 H new ATOM 0 HE3 LYS 1 94 3.168 -0.692 -7.275 1.00 0.00 H new ATOM 0 HZ1 LYS 1 94 3.232 1.173 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS 1 94 4.918 1.327 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS 1 94 3.913 1.916 -7.451 1.00 0.00 H new ATOM 1534 N VAL 1 95 7.509 -3.295 -4.093 1.00 0.00 N ATOM 1535 CA VAL 1 95 7.650 -2.639 -2.778 1.00 0.00 C ATOM 1536 C VAL 1 95 7.409 -1.123 -2.867 1.00 0.00 C ATOM 1537 O VAL 1 95 7.816 -0.472 -3.833 1.00 0.00 O ATOM 1538 CB VAL 1 95 9.032 -2.916 -2.137 1.00 0.00 C ATOM 1539 CG1 VAL 1 95 9.037 -2.580 -0.645 1.00 0.00 C ATOM 1540 CG2 VAL 1 95 9.465 -4.366 -2.341 1.00 0.00 C ATOM 0 H VAL 1 95 8.391 -3.626 -4.485 1.00 0.00 H new ATOM 0 HA VAL 1 95 6.883 -3.074 -2.137 1.00 0.00 H new ATOM 0 HB VAL 1 95 9.747 -2.266 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL 1 95 10.023 -2.787 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL 1 95 8.800 -1.525 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL 1 95 8.292 -3.188 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL 1 95 10.439 -4.523 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL 1 95 8.734 -5.032 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL 1 95 9.532 -4.579 -3.408 1.00 0.00 H new ATOM 1550 N ALA 1 96 6.739 -0.589 -1.836 1.00 0.00 N ATOM 1551 CA ALA 1 96 6.402 0.830 -1.747 1.00 0.00 C ATOM 1552 C ALA 1 96 7.572 1.686 -1.244 1.00 0.00 C ATOM 1553 O ALA 1 96 8.480 1.181 -0.576 1.00 0.00 O ATOM 1554 CB ALA 1 96 5.189 1.016 -0.847 1.00 0.00 C ATOM 0 H ALA 1 96 6.416 -1.137 -1.038 1.00 0.00 H new ATOM 0 HA ALA 1 96 6.172 1.172 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 4.942 2.076 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 4.342 0.470 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 5.414 0.636 0.150 1.00 0.00 H new ATOM 1560 N PHE 1 97 7.528 2.982 -1.578 1.00 0.00 N ATOM 1561 CA PHE 1 97 8.545 3.944 -1.186 1.00 0.00 C ATOM 1562 C PHE 1 97 7.974 4.925 -0.145 1.00 0.00 C ATOM 1563 O PHE 1 97 6.893 5.479 -0.372 1.00 0.00 O ATOM 1564 CB PHE 1 97 9.014 4.705 -2.425 1.00 0.00 C ATOM 1565 CG PHE 1 97 10.250 4.127 -3.060 1.00 0.00 C ATOM 1566 CD1 PHE 1 97 11.501 4.655 -2.782 1.00 0.00 C ATOM 1567 CD2 PHE 1 97 10.160 3.046 -3.926 1.00 0.00 C ATOM 1568 CE1 PHE 1 97 12.638 4.118 -3.357 1.00 0.00 C ATOM 1569 CE2 PHE 1 97 11.294 2.507 -4.505 1.00 0.00 C ATOM 1570 CZ PHE 1 97 12.534 3.043 -4.219 1.00 0.00 C ATOM 0 H PHE 1 97 6.775 3.388 -2.133 1.00 0.00 H new ATOM 0 HA PHE 1 97 9.390 3.420 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE 1 97 8.209 4.715 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE 1 97 9.208 5.742 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE 1 97 11.589 5.495 -2.109 1.00 0.00 H new ATOM 0 HD2 PHE 1 97 9.193 2.621 -4.150 1.00 0.00 H new ATOM 0 HE1 PHE 1 97 13.607 4.539 -3.132 1.00 0.00 H new ATOM 0 HE2 PHE 1 97 11.210 1.668 -5.180 1.00 0.00 H new ATOM 0 HZ PHE 1 97 13.421 2.623 -4.668 1.00 0.00 H new ATOM 1580 N PRO 1 98 8.664 5.159 1.018 1.00 0.00 N ATOM 1581 CA PRO 1 98 8.176 6.086 2.067 1.00 0.00 C ATOM 1582 C PRO 1 98 8.256 7.561 1.649 1.00 0.00 C ATOM 1583 O PRO 1 98 8.833 7.886 0.607 1.00 0.00 O ATOM 1584 CB PRO 1 98 9.110 5.810 3.261 1.00 0.00 C ATOM 1585 CG PRO 1 98 9.822 4.548 2.918 1.00 0.00 C ATOM 1586 CD PRO 1 98 9.947 4.549 1.429 1.00 0.00 C ATOM 0 HA PRO 1 98 7.121 5.919 2.286 1.00 0.00 H new ATOM 0 HB2 PRO 1 98 9.812 6.630 3.409 1.00 0.00 H new ATOM 0 HB3 PRO 1 98 8.544 5.704 4.187 1.00 0.00 H new ATOM 0 HG2 PRO 1 98 10.802 4.509 3.394 1.00 0.00 H new ATOM 0 HG3 PRO 1 98 9.265 3.677 3.264 1.00 0.00 H new ATOM 0 HD2 PRO 1 98 10.804 5.132 1.091 1.00 0.00 H new ATOM 0 HD3 PRO 1 98 10.068 3.543 1.028 1.00 0.00 H new ATOM 1594 N ARG 1 99 7.672 8.442 2.475 1.00 0.00 N ATOM 1595 CA ARG 1 99 7.653 9.884 2.202 1.00 0.00 C ATOM 1596 C ARG 1 99 8.820 10.624 2.872 1.00 0.00 C ATOM 1597 O ARG 1 99 9.085 11.784 2.540 1.00 0.00 O ATOM 1598 CB ARG 1 99 6.321 10.482 2.656 1.00 0.00 C ATOM 1599 CG ARG 1 99 5.277 10.550 1.553 1.00 0.00 C ATOM 1600 CD ARG 1 99 3.906 10.924 2.097 1.00 0.00 C ATOM 1601 NE ARG 1 99 3.196 9.763 2.646 1.00 0.00 N ATOM 1602 CZ ARG 1 99 2.004 9.815 3.261 1.00 0.00 C ATOM 1603 NH1 ARG 1 99 1.364 10.971 3.428 1.00 0.00 N ATOM 1604 NH2 ARG 1 99 1.452 8.697 3.709 1.00 0.00 N ATOM 0 H ARG 1 99 7.205 8.177 3.342 1.00 0.00 H new ATOM 0 HA ARG 1 99 7.768 10.012 1.126 1.00 0.00 H new ATOM 0 HB2 ARG 1 99 5.928 9.888 3.481 1.00 0.00 H new ATOM 0 HB3 ARG 1 99 6.496 11.486 3.042 1.00 0.00 H new ATOM 0 HG2 ARG 1 99 5.584 11.282 0.806 1.00 0.00 H new ATOM 0 HG3 ARG 1 99 5.217 9.586 1.048 1.00 0.00 H new ATOM 0 HD2 ARG 1 99 4.018 11.681 2.874 1.00 0.00 H new ATOM 0 HD3 ARG 1 99 3.310 11.370 1.301 1.00 0.00 H new ATOM 0 HE ARG 1 99 3.641 8.850 2.554 1.00 0.00 H new ATOM 0 HH11 ARG 1 99 1.779 11.838 3.086 1.00 0.00 H new ATOM 0 HH12 ARG 1 99 0.459 10.990 3.898 1.00 0.00 H new ATOM 0 HH21 ARG 1 99 1.933 7.806 3.585 1.00 0.00 H new ATOM 0 HH22 ARG 1 99 0.546 8.727 4.178 1.00 0.00 H new ATOM 1618 N ARG 1 100 9.512 9.954 3.804 1.00 0.00 N ATOM 1619 CA ARG 1 100 10.652 10.554 4.509 1.00 0.00 C ATOM 1620 C ARG 1 100 11.969 10.121 3.857 1.00 0.00 C ATOM 1621 O ARG 1 100 12.232 8.923 3.708 1.00 0.00 O ATOM 1622 CB ARG 1 100 10.629 10.157 5.995 1.00 0.00 C ATOM 1623 CG ARG 1 100 11.191 11.224 6.936 1.00 0.00 C ATOM 1624 CD ARG 1 100 10.123 12.220 7.379 1.00 0.00 C ATOM 1625 NE ARG 1 100 10.643 13.186 8.352 1.00 0.00 N ATOM 1626 CZ ARG 1 100 9.909 14.128 8.963 1.00 0.00 C ATOM 1627 NH1 ARG 1 100 8.606 14.258 8.715 1.00 0.00 N ATOM 1628 NH2 ARG 1 100 10.487 14.948 9.831 1.00 0.00 N ATOM 0 H ARG 1 100 9.302 8.997 4.087 1.00 0.00 H new ATOM 0 HA ARG 1 100 10.574 11.639 4.440 1.00 0.00 H new ATOM 0 HB2 ARG 1 100 9.602 9.937 6.285 1.00 0.00 H new ATOM 0 HB3 ARG 1 100 11.200 9.238 6.123 1.00 0.00 H new ATOM 0 HG2 ARG 1 100 11.622 10.742 7.813 1.00 0.00 H new ATOM 0 HG3 ARG 1 100 11.999 11.758 6.436 1.00 0.00 H new ATOM 0 HD2 ARG 1 100 9.740 12.753 6.508 1.00 0.00 H new ATOM 0 HD3 ARG 1 100 9.283 11.680 7.817 1.00 0.00 H new ATOM 0 HE ARG 1 100 11.636 13.138 8.581 1.00 0.00 H new ATOM 0 HH11 ARG 1 100 8.149 13.634 8.050 1.00 0.00 H new ATOM 0 HH12 ARG 1 100 8.066 14.981 9.190 1.00 0.00 H new ATOM 0 HH21 ARG 1 100 11.483 14.860 10.030 1.00 0.00 H new ATOM 0 HH22 ARG 1 100 9.935 15.667 10.299 1.00 0.00 H new ATOM 1642 N ALA 1 101 12.785 11.110 3.468 1.00 0.00 N ATOM 1643 CA ALA 1 101 14.064 10.867 2.810 1.00 0.00 C ATOM 1644 C ALA 1 101 15.226 10.696 3.798 1.00 0.00 C ATOM 1645 O ALA 1 101 15.078 10.942 4.999 1.00 0.00 O ATOM 1646 CB ALA 1 101 14.367 11.994 1.830 1.00 0.00 C ATOM 0 H ALA 1 101 12.572 12.098 3.603 1.00 0.00 H new ATOM 0 HA ALA 1 101 13.970 9.923 2.273 1.00 0.00 H new ATOM 0 HB1 ALA 1 101 15.324 11.805 1.343 1.00 0.00 H new ATOM 0 HB2 ALA 1 101 13.580 12.043 1.077 1.00 0.00 H new ATOM 0 HB3 ALA 1 101 14.414 12.941 2.368 1.00 0.00 H new ATOM 1652 N GLN 1 102 16.377 10.267 3.260 1.00 0.00 N ATOM 1653 CA GLN 1 102 17.597 10.051 4.044 1.00 0.00 C ATOM 1654 C GLN 1 102 18.744 10.939 3.525 1.00 0.00 C ATOM 1655 O GLN 1 102 18.739 11.311 2.348 1.00 0.00 O ATOM 1656 CB GLN 1 102 18.016 8.578 3.984 1.00 0.00 C ATOM 1657 CG GLN 1 102 17.180 7.661 4.864 1.00 0.00 C ATOM 1658 CD GLN 1 102 17.629 6.214 4.786 1.00 0.00 C ATOM 1659 OE1 GLN 1 102 17.139 5.444 3.961 1.00 0.00 O ATOM 1660 NE2 GLN 1 102 18.567 5.839 5.648 1.00 0.00 N ATOM 0 H GLN 1 102 16.486 10.060 2.267 1.00 0.00 H new ATOM 0 HA GLN 1 102 17.386 10.321 5.079 1.00 0.00 H new ATOM 0 HB2 GLN 1 102 17.950 8.234 2.952 1.00 0.00 H new ATOM 0 HB3 GLN 1 102 19.062 8.496 4.281 1.00 0.00 H new ATOM 0 HG2 GLN 1 102 17.239 8.001 5.898 1.00 0.00 H new ATOM 0 HG3 GLN 1 102 16.134 7.730 4.565 1.00 0.00 H new ATOM 0 HE21 GLN 1 102 18.945 6.512 6.315 1.00 0.00 H new ATOM 0 HE22 GLN 1 102 18.909 4.878 5.643 1.00 0.00 H new ATOM 1669 N PRO 1 103 19.748 11.298 4.388 1.00 0.00 N ATOM 1670 CA PRO 1 103 20.886 12.140 3.968 1.00 0.00 C ATOM 1671 C PRO 1 103 21.950 11.365 3.167 1.00 0.00 C ATOM 1672 O PRO 1 103 21.826 10.153 2.972 1.00 0.00 O ATOM 1673 CB PRO 1 103 21.452 12.649 5.301 1.00 0.00 C ATOM 1674 CG PRO 1 103 21.111 11.600 6.306 1.00 0.00 C ATOM 1675 CD PRO 1 103 19.844 10.933 5.828 1.00 0.00 C ATOM 0 HA PRO 1 103 20.577 12.935 3.289 1.00 0.00 H new ATOM 0 HB2 PRO 1 103 22.530 12.797 5.239 1.00 0.00 H new ATOM 0 HB3 PRO 1 103 21.014 13.609 5.572 1.00 0.00 H new ATOM 0 HG2 PRO 1 103 21.919 10.874 6.397 1.00 0.00 H new ATOM 0 HG3 PRO 1 103 20.967 12.042 7.292 1.00 0.00 H new ATOM 0 HD2 PRO 1 103 19.891 9.852 5.961 1.00 0.00 H new ATOM 0 HD3 PRO 1 103 18.976 11.285 6.385 1.00 0.00 H new ATOM 1683 N LYS 1 104 22.994 12.083 2.716 1.00 0.00 N ATOM 1684 CA LYS 1 104 24.085 11.486 1.931 1.00 0.00 C ATOM 1685 C LYS 1 104 25.132 10.823 2.829 1.00 0.00 C ATOM 1686 O LYS 1 104 25.466 11.344 3.897 1.00 0.00 O ATOM 1687 CB LYS 1 104 24.766 12.552 1.066 1.00 0.00 C ATOM 1688 CG LYS 1 104 23.956 12.967 -0.153 1.00 0.00 C ATOM 1689 CD LYS 1 104 24.651 14.074 -0.928 1.00 0.00 C ATOM 1690 CE LYS 1 104 23.883 14.442 -2.185 1.00 0.00 C ATOM 1691 NZ LYS 1 104 24.517 15.575 -2.913 1.00 0.00 N ATOM 0 H LYS 1 104 23.104 13.083 2.884 1.00 0.00 H new ATOM 0 HA LYS 1 104 23.642 10.720 1.294 1.00 0.00 H new ATOM 0 HB2 LYS 1 104 24.960 13.433 1.678 1.00 0.00 H new ATOM 0 HB3 LYS 1 104 25.733 12.174 0.736 1.00 0.00 H new ATOM 0 HG2 LYS 1 104 23.805 12.105 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS 1 104 22.969 13.305 0.162 1.00 0.00 H new ATOM 0 HD2 LYS 1 104 24.754 14.954 -0.293 1.00 0.00 H new ATOM 0 HD3 LYS 1 104 25.658 13.754 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS 1 104 23.827 13.575 -2.843 1.00 0.00 H new ATOM 0 HE3 LYS 1 104 22.860 14.708 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS 1 104 23.962 15.795 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS 1 104 24.548 16.411 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS 1 104 25.485 15.312 -3.189 1.00 0.00 H new ATOM 1705 N MET 1 105 25.637 9.671 2.376 1.00 0.00 N ATOM 1706 CA MET 1 105 26.650 8.910 3.113 1.00 0.00 C ATOM 1707 C MET 1 105 28.058 9.234 2.612 1.00 0.00 C ATOM 1708 O MET 1 105 28.293 9.299 1.401 1.00 0.00 O ATOM 1709 CB MET 1 105 26.392 7.406 2.973 1.00 0.00 C ATOM 1710 CG MET 1 105 25.149 6.918 3.704 1.00 0.00 C ATOM 1711 SD MET 1 105 25.359 6.903 5.495 1.00 0.00 S ATOM 1712 CE MET 1 105 23.808 6.171 6.010 1.00 0.00 C ATOM 0 H MET 1 105 25.357 9.242 1.494 1.00 0.00 H new ATOM 0 HA MET 1 105 26.580 9.195 4.163 1.00 0.00 H new ATOM 0 HB2 MET 1 105 26.298 7.161 1.915 1.00 0.00 H new ATOM 0 HB3 MET 1 105 27.259 6.863 3.350 1.00 0.00 H new ATOM 0 HG2 MET 1 105 24.305 7.558 3.446 1.00 0.00 H new ATOM 0 HG3 MET 1 105 24.902 5.913 3.362 1.00 0.00 H new ATOM 0 HE1 MET 1 105 23.785 6.094 7.097 1.00 0.00 H new ATOM 0 HE2 MET 1 105 22.981 6.796 5.673 1.00 0.00 H new ATOM 0 HE3 MET 1 105 23.712 5.177 5.574 1.00 0.00 H new ATOM 1722 N VAL 1 106 28.982 9.441 3.555 1.00 0.00 N ATOM 1723 CA VAL 1 106 30.375 9.745 3.224 1.00 0.00 C ATOM 1724 C VAL 1 106 31.267 8.569 3.646 1.00 0.00 C ATOM 1725 O VAL 1 106 31.967 7.986 2.812 1.00 0.00 O ATOM 1726 CB VAL 1 106 30.864 11.073 3.890 1.00 0.00 C ATOM 1727 CG1 VAL 1 106 32.264 11.460 3.411 1.00 0.00 C ATOM 1728 CG2 VAL 1 106 29.894 12.220 3.616 1.00 0.00 C ATOM 0 H VAL 1 106 28.788 9.403 4.556 1.00 0.00 H new ATOM 0 HA VAL 1 106 30.442 9.890 2.146 1.00 0.00 H new ATOM 0 HB VAL 1 106 30.902 10.892 4.964 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 32.571 12.387 3.895 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 32.968 10.668 3.666 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 32.253 11.601 2.330 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 30.262 13.129 4.092 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 29.814 12.380 2.541 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 28.913 11.971 4.019 1.00 0.00 H new ATOM 1738 N THR 1 107 31.231 8.238 4.941 1.00 0.00 N ATOM 1739 CA THR 1 107 32.003 7.143 5.490 1.00 0.00 C ATOM 1740 C THR 1 107 31.105 5.911 5.670 1.00 0.00 C ATOM 1741 O THR 1 107 30.400 5.779 6.678 1.00 0.00 O ATOM 1742 CB THR 1 107 32.663 7.540 6.836 1.00 0.00 C ATOM 1743 OG1 THR 1 107 33.116 8.900 6.781 1.00 0.00 O ATOM 1744 CG2 THR 1 107 33.845 6.635 7.172 1.00 0.00 C ATOM 0 H THR 1 107 30.662 8.729 5.630 1.00 0.00 H new ATOM 0 HA THR 1 107 32.803 6.901 4.790 1.00 0.00 H new ATOM 0 HB THR 1 107 31.909 7.428 7.615 1.00 0.00 H new ATOM 0 HG1 THR 1 107 33.530 9.142 7.636 1.00 0.00 H new ATOM 0 HG21 THR 1 107 34.281 6.944 8.122 1.00 0.00 H new ATOM 0 HG22 THR 1 107 33.503 5.603 7.249 1.00 0.00 H new ATOM 0 HG23 THR 1 107 34.596 6.711 6.386 1.00 0.00 H new ATOM 1752 N ARG 1 108 31.130 5.029 4.669 1.00 0.00 N ATOM 1753 CA ARG 1 108 30.324 3.805 4.681 1.00 0.00 C ATOM 1754 C ARG 1 108 31.115 2.616 5.215 1.00 0.00 C ATOM 1755 O ARG 1 108 32.333 2.531 5.025 1.00 0.00 O ATOM 1756 CB ARG 1 108 29.799 3.494 3.277 1.00 0.00 C ATOM 1757 CG ARG 1 108 28.656 4.397 2.841 1.00 0.00 C ATOM 1758 CD ARG 1 108 28.149 4.028 1.456 1.00 0.00 C ATOM 1759 NE ARG 1 108 26.910 4.737 1.122 1.00 0.00 N ATOM 1760 CZ ARG 1 108 26.541 5.089 -0.117 1.00 0.00 C ATOM 1761 NH1 ARG 1 108 27.305 4.806 -1.171 1.00 0.00 N ATOM 1762 NH2 ARG 1 108 25.394 5.728 -0.301 1.00 0.00 N ATOM 0 H ARG 1 108 31.704 5.141 3.833 1.00 0.00 H new ATOM 0 HA ARG 1 108 29.480 3.977 5.349 1.00 0.00 H new ATOM 0 HB2 ARG 1 108 30.617 3.587 2.563 1.00 0.00 H new ATOM 0 HB3 ARG 1 108 29.465 2.457 3.245 1.00 0.00 H new ATOM 0 HG2 ARG 1 108 27.840 4.324 3.559 1.00 0.00 H new ATOM 0 HG3 ARG 1 108 28.990 5.435 2.842 1.00 0.00 H new ATOM 0 HD2 ARG 1 108 28.913 4.263 0.715 1.00 0.00 H new ATOM 0 HD3 ARG 1 108 27.977 2.953 1.407 1.00 0.00 H new ATOM 0 HE ARG 1 108 26.283 4.980 1.889 1.00 0.00 H new ATOM 0 HH11 ARG 1 108 28.189 4.313 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG 1 108 27.006 5.083 -2.106 1.00 0.00 H new ATOM 0 HH21 ARG 1 108 24.799 5.948 0.498 1.00 0.00 H new ATOM 0 HH22 ARG 1 108 25.106 5.999 -1.241 1.00 0.00 H new ATOM 1776 N THR 1 109 30.402 1.705 5.883 1.00 0.00 N ATOM 1777 CA THR 1 109 31.003 0.502 6.462 1.00 0.00 C ATOM 1778 C THR 1 109 30.866 -0.694 5.523 1.00 0.00 C ATOM 1779 O THR 1 109 29.881 -0.804 4.787 1.00 0.00 O ATOM 1780 CB THR 1 109 30.358 0.143 7.818 1.00 0.00 C ATOM 1781 OG1 THR 1 109 28.931 0.239 7.727 1.00 0.00 O ATOM 1782 CG2 THR 1 109 30.866 1.055 8.927 1.00 0.00 C ATOM 0 H THR 1 109 29.396 1.780 6.037 1.00 0.00 H new ATOM 0 HA THR 1 109 32.059 0.725 6.614 1.00 0.00 H new ATOM 0 HB THR 1 109 30.637 -0.882 8.062 1.00 0.00 H new ATOM 0 HG1 THR 1 109 28.532 0.008 8.592 1.00 0.00 H new ATOM 0 HG21 THR 1 109 30.394 0.779 9.870 1.00 0.00 H new ATOM 0 HG22 THR 1 109 31.947 0.950 9.018 1.00 0.00 H new ATOM 0 HG23 THR 1 109 30.620 2.090 8.688 1.00 0.00 H new ATOM 1790 N LYS 1 110 31.869 -1.578 5.555 1.00 0.00 N ATOM 1791 CA LYS 1 110 31.884 -2.772 4.727 1.00 0.00 C ATOM 1792 C LYS 1 110 31.668 -4.035 5.563 1.00 0.00 C ATOM 1793 O LYS 1 110 30.919 -4.930 5.161 1.00 0.00 O ATOM 1794 CB LYS 1 110 33.199 -2.875 3.950 1.00 0.00 C ATOM 1795 CG LYS 1 110 33.255 -1.985 2.718 1.00 0.00 C ATOM 1796 CD LYS 1 110 34.531 -2.215 1.926 1.00 0.00 C ATOM 1797 CE LYS 1 110 34.563 -1.369 0.663 1.00 0.00 C ATOM 1798 NZ LYS 1 110 35.845 -1.528 -0.078 1.00 0.00 N ATOM 0 H LYS 1 110 32.687 -1.480 6.156 1.00 0.00 H new ATOM 0 HA LYS 1 110 31.060 -2.689 4.018 1.00 0.00 H new ATOM 0 HB2 LYS 1 110 34.024 -2.614 4.613 1.00 0.00 H new ATOM 0 HB3 LYS 1 110 33.350 -3.911 3.646 1.00 0.00 H new ATOM 0 HG2 LYS 1 110 32.391 -2.184 2.084 1.00 0.00 H new ATOM 0 HG3 LYS 1 110 33.196 -0.939 3.020 1.00 0.00 H new ATOM 0 HD2 LYS 1 110 35.394 -1.976 2.547 1.00 0.00 H new ATOM 0 HD3 LYS 1 110 34.611 -3.269 1.661 1.00 0.00 H new ATOM 0 HE2 LYS 1 110 33.732 -1.650 0.016 1.00 0.00 H new ATOM 0 HE3 LYS 1 110 34.422 -0.320 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS 1 110 35.828 -0.935 -0.933 1.00 0.00 H new ATOM 0 HZ2 LYS 1 110 36.636 -1.235 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS 1 110 35.967 -2.524 -0.350 1.00 0.00 H new ATOM 1812 N LYS 1 111 32.329 -4.093 6.732 1.00 0.00 N ATOM 1813 CA LYS 1 111 32.231 -5.231 7.643 1.00 0.00 C ATOM 1814 C LYS 1 111 30.926 -5.200 8.447 1.00 0.00 C ATOM 1815 O LYS 1 111 30.685 -4.197 9.153 1.00 0.00 O ATOM 1816 CB LYS 1 111 33.433 -5.262 8.598 1.00 0.00 C ATOM 1817 CG LYS 1 111 34.744 -5.652 7.930 1.00 0.00 C ATOM 1818 CD LYS 1 111 35.908 -5.592 8.910 1.00 0.00 C ATOM 1819 CE LYS 1 111 37.240 -5.855 8.221 1.00 0.00 C ATOM 1820 NZ LYS 1 111 37.428 -7.295 7.886 1.00 0.00 N ATOM 1821 OXT LYS 1 111 30.158 -6.183 8.362 1.00 0.00 O ATOM 0 H LYS 1 111 32.943 -3.350 7.065 1.00 0.00 H new ATOM 0 HA LYS 1 111 32.233 -6.136 7.036 1.00 0.00 H new ATOM 0 HB2 LYS 1 111 33.548 -4.278 9.054 1.00 0.00 H new ATOM 0 HB3 LYS 1 111 33.225 -5.965 9.405 1.00 0.00 H new ATOM 0 HG2 LYS 1 111 34.661 -6.660 7.523 1.00 0.00 H new ATOM 0 HG3 LYS 1 111 34.939 -4.985 7.091 1.00 0.00 H new ATOM 0 HD2 LYS 1 111 35.932 -4.612 9.386 1.00 0.00 H new ATOM 0 HD3 LYS 1 111 35.756 -6.327 9.701 1.00 0.00 H new ATOM 0 HE2 LYS 1 111 37.298 -5.261 7.309 1.00 0.00 H new ATOM 0 HE3 LYS 1 111 38.053 -5.526 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS 1 111 38.348 -7.426 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS 1 111 37.399 -7.861 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS 1 111 36.668 -7.605 7.247 1.00 0.00 H new TER 1835 LYS 1 111