USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot 180:sc= 0.0296 USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= -0.0612 F(o=-0.72,f=-0.032) USER MOD Set 2.1: A 51 LYS NZ :NH3+ 173:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 55 THR OG1 : rot 42:sc= 0.86 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -143:sc= 1.01 (180deg=0.641) USER MOD Set 3.2: A 71 GLN : amide:sc= -3.5! C(o=-2.5!,f=-6.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 4 HIS : no HD1:sc= 0.112 K(o=0.11,f=-1.3) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= 0.0133 X(o=0.013,f=-0.1) USER MOD Single : A 12 ASN : amide:sc= -0.0343 K(o=-0.034,f=-0.55) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 0.954 (180deg=0.463) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.0061 F(o=-0.73,f=-0.0061) USER MOD Single : A 24 SER OG : rot -89:sc= 0.871 USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= -0.0412 (180deg=-0.268) USER MOD Single : A 27 MET CE :methyl -161:sc= -0.124 (180deg=-0.679) USER MOD Single : A 28 ASN : amide:sc= 0.18 X(o=0.18,f=-0.066) USER MOD Single : A 34 ASN : amide:sc= -0.375 K(o=-0.37,f=-12!) USER MOD Single : A 42 MET CE :methyl 149:sc= -0.12 (180deg=-0.841) USER MOD Single : A 46 SER OG : rot -48:sc= 0.687 USER MOD Single : A 54 CYS SG : rot 67:sc= 0.42 USER MOD Single : A 59 MET CE :methyl 152:sc= -1.36 (180deg=-2.9!) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.749 USER MOD Single : A 70 THR OG1 : rot -39:sc= 0.917 USER MOD Single : A 76 MET CE :methyl -141:sc= -0.138 (180deg=-0.707) USER MOD Single : A 80 LYS NZ :NH3+ -132:sc= 0.0605 (180deg=-1.24!) USER MOD Single : A 82 MET CE :methyl -110:sc= -0.675 (180deg=-2.86!) USER MOD Single : A 83 GLN : amide:sc= 0.0335 X(o=0.033,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= -0.113 (180deg=-0.975) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.929 -36.584 -6.369 1.00 44.41 N ATOM 2 CA MET A 1 -1.786 -35.435 -5.435 1.00 41.15 C ATOM 3 C MET A 1 -0.963 -34.294 -6.053 1.00 4.23 C ATOM 4 O MET A 1 0.038 -34.532 -6.732 1.00 23.24 O ATOM 5 CB MET A 1 -1.112 -35.892 -4.129 1.00 72.13 C ATOM 6 CG MET A 1 -0.753 -34.743 -3.192 1.00 61.34 C ATOM 7 SD MET A 1 0.178 -35.273 -1.743 1.00 12.34 S ATOM 8 CE MET A 1 0.540 -33.690 -0.984 1.00 4.22 C ATOM 0 H1 MET A 1 -2.490 -37.333 -5.915 1.00 44.41 H new ATOM 0 H2 MET A 1 -2.409 -36.269 -7.236 1.00 44.41 H new ATOM 0 H3 MET A 1 -0.988 -36.955 -6.610 1.00 44.41 H new ATOM 0 HA MET A 1 -2.789 -35.062 -5.228 1.00 41.15 H new ATOM 0 HB2 MET A 1 -1.778 -36.580 -3.608 1.00 72.13 H new ATOM 0 HB3 MET A 1 -0.206 -36.448 -4.373 1.00 72.13 H new ATOM 0 HG2 MET A 1 -0.169 -34.004 -3.741 1.00 61.34 H new ATOM 0 HG3 MET A 1 -1.668 -34.248 -2.867 1.00 61.34 H new ATOM 0 HE1 MET A 1 1.115 -33.847 -0.071 1.00 4.22 H new ATOM 0 HE2 MET A 1 1.119 -33.078 -1.676 1.00 4.22 H new ATOM 0 HE3 MET A 1 -0.393 -33.181 -0.742 1.00 4.22 H new ATOM 20 N GLY A 2 -1.391 -33.052 -5.811 1.00 11.30 N ATOM 21 CA GLY A 2 -0.590 -31.887 -6.184 1.00 10.32 C ATOM 22 C GLY A 2 -1.147 -31.094 -7.363 1.00 33.54 C ATOM 23 O GLY A 2 -1.776 -31.651 -8.267 1.00 64.33 O ATOM 0 H GLY A 2 -2.280 -32.830 -5.362 1.00 11.30 H new ATOM 0 HA2 GLY A 2 -0.509 -31.225 -5.322 1.00 10.32 H new ATOM 0 HA3 GLY A 2 0.420 -32.218 -6.428 1.00 10.32 H new ATOM 27 N HIS A 3 -0.911 -29.782 -7.352 1.00 52.41 N ATOM 28 CA HIS A 3 -1.300 -28.909 -8.464 1.00 64.11 C ATOM 29 C HIS A 3 -0.271 -29.012 -9.601 1.00 33.51 C ATOM 30 O HIS A 3 0.753 -28.326 -9.594 1.00 71.14 O ATOM 31 CB HIS A 3 -1.412 -27.455 -7.985 1.00 30.24 C ATOM 32 CG HIS A 3 -2.360 -27.263 -6.835 1.00 11.32 C ATOM 33 ND1 HIS A 3 -1.949 -27.217 -5.519 1.00 13.25 N ATOM 34 CD2 HIS A 3 -3.704 -27.084 -6.808 1.00 15.44 C ATOM 35 CE1 HIS A 3 -2.991 -27.020 -4.737 1.00 2.43 C ATOM 36 NE2 HIS A 3 -4.068 -26.937 -5.492 1.00 24.54 N ATOM 0 H HIS A 3 -0.450 -29.297 -6.582 1.00 52.41 H new ATOM 0 HA HIS A 3 -2.272 -29.230 -8.837 1.00 64.11 H new ATOM 0 HB2 HIS A 3 -0.423 -27.103 -7.691 1.00 30.24 H new ATOM 0 HB3 HIS A 3 -1.737 -26.832 -8.819 1.00 30.24 H new ATOM 0 HD2 HIS A 3 -4.365 -27.061 -7.662 1.00 15.44 H new ATOM 0 HE1 HIS A 3 -2.967 -26.940 -3.660 1.00 2.43 H new ATOM 0 HE2 HIS A 3 -5.019 -26.788 -5.154 1.00 24.54 H new ATOM 45 N HIS A 4 -0.541 -29.880 -10.569 1.00 10.22 N ATOM 46 CA HIS A 4 0.428 -30.180 -11.629 1.00 42.10 C ATOM 47 C HIS A 4 0.368 -29.168 -12.784 1.00 41.04 C ATOM 48 O HIS A 4 1.234 -29.168 -13.658 1.00 54.53 O ATOM 49 CB HIS A 4 0.197 -31.600 -12.163 1.00 20.40 C ATOM 50 CG HIS A 4 0.303 -32.662 -11.107 1.00 64.23 C ATOM 51 ND1 HIS A 4 -0.409 -33.843 -11.149 1.00 42.33 N ATOM 52 CD2 HIS A 4 1.049 -32.721 -9.977 1.00 23.44 C ATOM 53 CE1 HIS A 4 -0.109 -34.575 -10.096 1.00 73.42 C ATOM 54 NE2 HIS A 4 0.772 -33.919 -9.370 1.00 53.20 N ATOM 0 H HIS A 4 -1.421 -30.391 -10.646 1.00 10.22 H new ATOM 0 HA HIS A 4 1.422 -30.107 -11.188 1.00 42.10 H new ATOM 0 HB2 HIS A 4 -0.791 -31.651 -12.621 1.00 20.40 H new ATOM 0 HB3 HIS A 4 0.923 -31.807 -12.949 1.00 20.40 H new ATOM 0 HD2 HIS A 4 1.734 -31.966 -9.621 1.00 23.44 H new ATOM 0 HE1 HIS A 4 -0.517 -35.549 -9.867 1.00 73.42 H new ATOM 0 HE2 HIS A 4 1.182 -34.249 -8.496 1.00 53.20 H new ATOM 63 N HIS A 5 -0.659 -28.317 -12.801 1.00 52.14 N ATOM 64 CA HIS A 5 -0.794 -27.291 -13.848 1.00 61.02 C ATOM 65 C HIS A 5 -0.995 -25.886 -13.252 1.00 2.52 C ATOM 66 O HIS A 5 -0.141 -25.014 -13.403 1.00 40.31 O ATOM 67 CB HIS A 5 -1.945 -27.643 -14.794 1.00 71.32 C ATOM 68 CG HIS A 5 -1.759 -28.956 -15.491 1.00 72.34 C ATOM 69 ND1 HIS A 5 -1.084 -29.089 -16.683 1.00 54.43 N ATOM 70 CD2 HIS A 5 -2.148 -30.208 -15.146 1.00 35.43 C ATOM 71 CE1 HIS A 5 -1.068 -30.356 -17.041 1.00 52.22 C ATOM 72 NE2 HIS A 5 -1.705 -31.056 -16.127 1.00 22.21 N ATOM 0 H HIS A 5 -1.408 -28.314 -12.108 1.00 52.14 H new ATOM 0 HA HIS A 5 0.137 -27.274 -14.414 1.00 61.02 H new ATOM 0 HB2 HIS A 5 -2.876 -27.669 -14.228 1.00 71.32 H new ATOM 0 HB3 HIS A 5 -2.047 -26.855 -15.540 1.00 71.32 H new ATOM 0 HD2 HIS A 5 -2.704 -30.485 -14.262 1.00 35.43 H new ATOM 0 HE1 HIS A 5 -0.609 -30.754 -17.934 1.00 52.22 H new ATOM 0 HE2 HIS A 5 -1.846 -32.066 -16.146 1.00 22.21 H new ATOM 81 N HIS A 6 -2.125 -25.661 -12.580 1.00 4.00 N ATOM 82 CA HIS A 6 -2.382 -24.364 -11.940 1.00 30.33 C ATOM 83 C HIS A 6 -1.449 -24.153 -10.736 1.00 74.12 C ATOM 84 O HIS A 6 -1.728 -24.626 -9.634 1.00 72.21 O ATOM 85 CB HIS A 6 -3.846 -24.246 -11.490 1.00 64.32 C ATOM 86 CG HIS A 6 -4.841 -24.277 -12.611 1.00 52.54 C ATOM 87 ND1 HIS A 6 -5.971 -25.064 -12.590 1.00 0.15 N ATOM 88 CD2 HIS A 6 -4.890 -23.590 -13.777 1.00 72.14 C ATOM 89 CE1 HIS A 6 -6.668 -24.865 -13.688 1.00 42.13 C ATOM 90 NE2 HIS A 6 -6.037 -23.976 -14.426 1.00 33.51 N ATOM 0 H HIS A 6 -2.870 -26.348 -12.464 1.00 4.00 H new ATOM 0 HA HIS A 6 -2.184 -23.590 -12.681 1.00 30.33 H new ATOM 0 HB2 HIS A 6 -4.068 -25.060 -10.800 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -3.970 -23.316 -10.936 1.00 64.32 H new ATOM 0 HD2 HIS A 6 -4.163 -22.873 -14.130 1.00 72.14 H new ATOM 0 HE1 HIS A 6 -7.600 -25.349 -13.941 1.00 42.13 H new ATOM 0 HE2 HIS A 6 -6.350 -23.630 -15.333 1.00 33.51 H new ATOM 99 N HIS A 7 -0.332 -23.466 -10.960 1.00 31.35 N ATOM 100 CA HIS A 7 0.631 -23.178 -9.890 1.00 44.12 C ATOM 101 C HIS A 7 0.491 -21.728 -9.382 1.00 53.22 C ATOM 102 O HIS A 7 1.081 -20.798 -9.930 1.00 4.30 O ATOM 103 CB HIS A 7 2.067 -23.461 -10.370 1.00 32.34 C ATOM 104 CG HIS A 7 2.451 -22.738 -11.630 1.00 62.24 C ATOM 105 ND1 HIS A 7 2.919 -21.442 -11.640 1.00 21.30 N ATOM 106 CD2 HIS A 7 2.434 -23.133 -12.926 1.00 64.22 C ATOM 107 CE1 HIS A 7 3.170 -21.072 -12.877 1.00 10.44 C ATOM 108 NE2 HIS A 7 2.886 -22.078 -13.675 1.00 23.10 N ATOM 0 H HIS A 7 -0.067 -23.096 -11.873 1.00 31.35 H new ATOM 0 HA HIS A 7 0.412 -23.839 -9.051 1.00 44.12 H new ATOM 0 HB2 HIS A 7 2.763 -23.183 -9.579 1.00 32.34 H new ATOM 0 HB3 HIS A 7 2.179 -24.533 -10.532 1.00 32.34 H new ATOM 0 HD1 HIS A 7 3.051 -20.858 -10.814 1.00 21.30 H new ATOM 0 HD2 HIS A 7 2.123 -24.098 -13.299 1.00 64.22 H new ATOM 0 HE1 HIS A 7 3.545 -20.107 -13.185 1.00 10.44 H new ATOM 117 N HIS A 8 -0.316 -21.542 -8.340 1.00 61.10 N ATOM 118 CA HIS A 8 -0.542 -20.211 -7.762 1.00 63.23 C ATOM 119 C HIS A 8 0.413 -19.940 -6.590 1.00 13.34 C ATOM 120 O HIS A 8 0.322 -20.579 -5.540 1.00 1.33 O ATOM 121 CB HIS A 8 -1.999 -20.067 -7.294 1.00 32.42 C ATOM 122 CG HIS A 8 -2.281 -18.772 -6.592 1.00 73.42 C ATOM 123 ND1 HIS A 8 -2.463 -18.681 -5.228 1.00 3.31 N ATOM 124 CD2 HIS A 8 -2.404 -17.510 -7.068 1.00 35.24 C ATOM 125 CE1 HIS A 8 -2.685 -17.426 -4.895 1.00 23.15 C ATOM 126 NE2 HIS A 8 -2.655 -16.694 -5.990 1.00 71.11 N ATOM 0 H HIS A 8 -0.826 -22.293 -7.876 1.00 61.10 H new ATOM 0 HA HIS A 8 -0.343 -19.475 -8.541 1.00 63.23 H new ATOM 0 HB2 HIS A 8 -2.659 -20.153 -8.157 1.00 32.42 H new ATOM 0 HB3 HIS A 8 -2.240 -20.893 -6.625 1.00 32.42 H new ATOM 0 HD2 HIS A 8 -2.321 -17.202 -8.100 1.00 35.24 H new ATOM 0 HE1 HIS A 8 -2.862 -17.059 -3.895 1.00 23.15 H new ATOM 0 HE2 HIS A 8 -2.795 -15.685 -6.031 1.00 71.11 H new ATOM 135 N SER A 9 1.315 -18.981 -6.775 1.00 41.21 N ATOM 136 CA SER A 9 2.264 -18.589 -5.727 1.00 72.32 C ATOM 137 C SER A 9 1.548 -17.921 -4.545 1.00 65.24 C ATOM 138 O SER A 9 0.615 -17.133 -4.723 1.00 1.12 O ATOM 139 CB SER A 9 3.330 -17.638 -6.293 1.00 51.34 C ATOM 140 OG SER A 9 2.738 -16.481 -6.864 1.00 21.45 O ATOM 0 H SER A 9 1.412 -18.456 -7.644 1.00 41.21 H new ATOM 0 HA SER A 9 2.748 -19.497 -5.366 1.00 72.32 H new ATOM 0 HB2 SER A 9 4.016 -17.344 -5.499 1.00 51.34 H new ATOM 0 HB3 SER A 9 3.920 -18.158 -7.048 1.00 51.34 H new ATOM 0 HG SER A 9 3.440 -15.893 -7.214 1.00 21.45 H new ATOM 146 N HIS A 10 1.983 -18.248 -3.333 1.00 15.20 N ATOM 147 CA HIS A 10 1.412 -17.656 -2.123 1.00 54.11 C ATOM 148 C HIS A 10 2.487 -17.460 -1.038 1.00 54.13 C ATOM 149 O HIS A 10 2.871 -18.410 -0.352 1.00 33.20 O ATOM 150 CB HIS A 10 0.270 -18.533 -1.589 1.00 62.30 C ATOM 151 CG HIS A 10 -0.421 -17.956 -0.388 1.00 2.13 C ATOM 152 ND1 HIS A 10 -1.414 -16.999 -0.473 1.00 75.43 N ATOM 153 CD2 HIS A 10 -0.256 -18.202 0.934 1.00 73.45 C ATOM 154 CE1 HIS A 10 -1.819 -16.682 0.742 1.00 31.14 C ATOM 155 NE2 HIS A 10 -1.136 -17.396 1.607 1.00 63.12 N ATOM 0 H HIS A 10 2.730 -18.920 -3.160 1.00 15.20 H new ATOM 0 HA HIS A 10 1.014 -16.675 -2.383 1.00 54.11 H new ATOM 0 HB2 HIS A 10 -0.463 -18.683 -2.382 1.00 62.30 H new ATOM 0 HB3 HIS A 10 0.667 -19.515 -1.332 1.00 62.30 H new ATOM 0 HD1 HIS A 10 -1.777 -16.600 -1.339 1.00 75.43 H new ATOM 0 HD2 HIS A 10 0.439 -18.902 1.375 1.00 73.45 H new ATOM 0 HE1 HIS A 10 -2.583 -15.958 0.984 1.00 31.14 H new ATOM 164 N PRO A 11 2.989 -16.222 -0.878 1.00 23.15 N ATOM 165 CA PRO A 11 4.010 -15.902 0.131 1.00 11.13 C ATOM 166 C PRO A 11 3.428 -15.755 1.551 1.00 33.42 C ATOM 167 O PRO A 11 2.243 -15.452 1.720 1.00 13.33 O ATOM 168 CB PRO A 11 4.567 -14.566 -0.369 1.00 22.23 C ATOM 169 CG PRO A 11 3.415 -13.916 -1.060 1.00 71.55 C ATOM 170 CD PRO A 11 2.614 -15.035 -1.679 1.00 5.44 C ATOM 0 HA PRO A 11 4.755 -16.692 0.227 1.00 11.13 H new ATOM 0 HB2 PRO A 11 4.931 -13.954 0.456 1.00 22.23 H new ATOM 0 HB3 PRO A 11 5.405 -14.715 -1.050 1.00 22.23 H new ATOM 0 HG2 PRO A 11 2.809 -13.346 -0.356 1.00 71.55 H new ATOM 0 HG3 PRO A 11 3.761 -13.217 -1.821 1.00 71.55 H new ATOM 0 HD2 PRO A 11 1.543 -14.838 -1.625 1.00 5.44 H new ATOM 0 HD3 PRO A 11 2.861 -15.169 -2.732 1.00 5.44 H new ATOM 178 N ASN A 12 4.269 -15.981 2.561 1.00 40.22 N ATOM 179 CA ASN A 12 3.864 -15.841 3.970 1.00 43.00 C ATOM 180 C ASN A 12 3.558 -14.372 4.326 1.00 21.51 C ATOM 181 O ASN A 12 3.691 -13.481 3.487 1.00 5.43 O ATOM 182 CB ASN A 12 4.974 -16.370 4.885 1.00 71.30 C ATOM 183 CG ASN A 12 5.454 -17.753 4.486 1.00 41.23 C ATOM 184 OD1 ASN A 12 4.717 -18.541 3.906 1.00 34.13 O ATOM 185 ND2 ASN A 12 6.697 -18.057 4.788 1.00 70.34 N ATOM 0 H ASN A 12 5.241 -16.263 2.434 1.00 40.22 H new ATOM 0 HA ASN A 12 2.954 -16.423 4.116 1.00 43.00 H new ATOM 0 HB2 ASN A 12 5.816 -15.678 4.865 1.00 71.30 H new ATOM 0 HB3 ASN A 12 4.610 -16.399 5.912 1.00 71.30 H new ATOM 0 HD21 ASN A 12 7.073 -18.972 4.539 1.00 70.34 H new ATOM 0 HD22 ASN A 12 7.285 -17.378 5.271 1.00 70.34 H new ATOM 192 N GLU A 13 3.170 -14.123 5.579 1.00 32.24 N ATOM 193 CA GLU A 13 2.855 -12.760 6.039 1.00 4.15 C ATOM 194 C GLU A 13 4.037 -11.799 5.817 1.00 55.24 C ATOM 195 O GLU A 13 3.915 -10.797 5.110 1.00 30.11 O ATOM 196 CB GLU A 13 2.482 -12.778 7.527 1.00 70.25 C ATOM 197 CG GLU A 13 2.181 -11.397 8.100 1.00 70.34 C ATOM 198 CD GLU A 13 2.005 -11.418 9.607 1.00 63.30 C ATOM 199 OE1 GLU A 13 3.025 -11.467 10.324 1.00 40.43 O ATOM 200 OE2 GLU A 13 0.854 -11.390 10.080 1.00 43.34 O ATOM 0 H GLU A 13 3.065 -14.842 6.295 1.00 32.24 H new ATOM 0 HA GLU A 13 2.010 -12.402 5.451 1.00 4.15 H new ATOM 0 HB2 GLU A 13 1.610 -13.417 7.666 1.00 70.25 H new ATOM 0 HB3 GLU A 13 3.299 -13.226 8.092 1.00 70.25 H new ATOM 0 HG2 GLU A 13 2.992 -10.716 7.842 1.00 70.34 H new ATOM 0 HG3 GLU A 13 1.275 -11.005 7.637 1.00 70.34 H new ATOM 207 N GLU A 14 5.180 -12.119 6.419 1.00 2.21 N ATOM 208 CA GLU A 14 6.400 -11.322 6.245 1.00 33.01 C ATOM 209 C GLU A 14 6.825 -11.257 4.771 1.00 24.00 C ATOM 210 O GLU A 14 7.185 -10.194 4.268 1.00 41.34 O ATOM 211 CB GLU A 14 7.541 -11.898 7.098 1.00 73.40 C ATOM 212 CG GLU A 14 7.485 -11.494 8.569 1.00 43.24 C ATOM 213 CD GLU A 14 7.865 -10.035 8.788 1.00 14.34 C ATOM 214 OE1 GLU A 14 6.984 -9.158 8.707 1.00 24.35 O ATOM 215 OE2 GLU A 14 9.056 -9.755 9.037 1.00 31.43 O ATOM 0 H GLU A 14 5.291 -12.926 7.034 1.00 2.21 H new ATOM 0 HA GLU A 14 6.182 -10.307 6.577 1.00 33.01 H new ATOM 0 HB2 GLU A 14 7.518 -12.986 7.030 1.00 73.40 H new ATOM 0 HB3 GLU A 14 8.493 -11.573 6.679 1.00 73.40 H new ATOM 0 HG2 GLU A 14 6.479 -11.665 8.951 1.00 43.24 H new ATOM 0 HG3 GLU A 14 8.157 -12.131 9.143 1.00 43.24 H new ATOM 222 N ALA A 15 6.766 -12.393 4.082 1.00 54.41 N ATOM 223 CA ALA A 15 7.157 -12.465 2.671 1.00 11.01 C ATOM 224 C ALA A 15 6.334 -11.497 1.798 1.00 55.23 C ATOM 225 O ALA A 15 6.890 -10.769 0.973 1.00 73.23 O ATOM 226 CB ALA A 15 7.017 -13.894 2.160 1.00 44.14 C ATOM 0 H ALA A 15 6.451 -13.280 4.476 1.00 54.41 H new ATOM 0 HA ALA A 15 8.201 -12.160 2.600 1.00 11.01 H new ATOM 0 HB1 ALA A 15 7.310 -13.936 1.111 1.00 44.14 H new ATOM 0 HB2 ALA A 15 7.660 -14.553 2.743 1.00 44.14 H new ATOM 0 HB3 ALA A 15 5.981 -14.216 2.260 1.00 44.14 H new ATOM 232 N ARG A 16 5.010 -11.499 1.974 1.00 54.33 N ATOM 233 CA ARG A 16 4.135 -10.595 1.216 1.00 42.33 C ATOM 234 C ARG A 16 4.276 -9.141 1.693 1.00 32.15 C ATOM 235 O ARG A 16 4.180 -8.208 0.896 1.00 15.24 O ATOM 236 CB ARG A 16 2.664 -11.040 1.297 1.00 62.44 C ATOM 237 CG ARG A 16 2.017 -10.871 2.671 1.00 62.25 C ATOM 238 CD ARG A 16 0.548 -11.288 2.655 1.00 13.13 C ATOM 239 NE ARG A 16 -0.227 -10.531 1.670 1.00 13.20 N ATOM 240 CZ ARG A 16 -0.685 -11.036 0.554 1.00 14.03 C ATOM 241 NH1 ARG A 16 -0.471 -12.278 0.260 1.00 22.22 N ATOM 242 NH2 ARG A 16 -1.348 -10.298 -0.275 1.00 54.42 N ATOM 0 H ARG A 16 4.522 -12.110 2.629 1.00 54.33 H new ATOM 0 HA ARG A 16 4.453 -10.644 0.175 1.00 42.33 H new ATOM 0 HB2 ARG A 16 2.087 -10.472 0.567 1.00 62.44 H new ATOM 0 HB3 ARG A 16 2.600 -12.089 1.008 1.00 62.44 H new ATOM 0 HG2 ARG A 16 2.558 -11.469 3.405 1.00 62.25 H new ATOM 0 HG3 ARG A 16 2.097 -9.831 2.986 1.00 62.25 H new ATOM 0 HD2 ARG A 16 0.476 -12.353 2.432 1.00 13.13 H new ATOM 0 HD3 ARG A 16 0.118 -11.140 3.646 1.00 13.13 H new ATOM 0 HE ARG A 16 -0.422 -9.549 1.866 1.00 13.20 H new ATOM 0 HH11 ARG A 16 0.058 -12.870 0.901 1.00 22.22 H new ATOM 0 HH12 ARG A 16 -0.831 -12.665 -0.612 1.00 22.22 H new ATOM 0 HH21 ARG A 16 -1.517 -9.315 -0.060 1.00 54.42 H new ATOM 0 HH22 ARG A 16 -1.702 -10.699 -1.144 1.00 54.42 H new ATOM 256 N LEU A 17 4.505 -8.950 2.993 1.00 20.23 N ATOM 257 CA LEU A 17 4.670 -7.605 3.556 1.00 14.21 C ATOM 258 C LEU A 17 5.961 -6.939 3.050 1.00 24.04 C ATOM 259 O LEU A 17 6.004 -5.723 2.845 1.00 20.33 O ATOM 260 CB LEU A 17 4.659 -7.654 5.091 1.00 73.21 C ATOM 261 CG LEU A 17 4.819 -6.296 5.794 1.00 41.24 C ATOM 262 CD1 LEU A 17 3.753 -5.307 5.331 1.00 4.31 C ATOM 263 CD2 LEU A 17 4.776 -6.466 7.313 1.00 61.53 C ATOM 0 H LEU A 17 4.581 -9.705 3.675 1.00 20.23 H new ATOM 0 HA LEU A 17 3.827 -7.001 3.220 1.00 14.21 H new ATOM 0 HB2 LEU A 17 3.722 -8.105 5.417 1.00 73.21 H new ATOM 0 HB3 LEU A 17 5.462 -8.313 5.423 1.00 73.21 H new ATOM 0 HG LEU A 17 5.793 -5.890 5.521 1.00 41.24 H new ATOM 0 HD11 LEU A 17 3.891 -4.356 5.845 1.00 4.31 H new ATOM 0 HD12 LEU A 17 3.841 -5.154 4.255 1.00 4.31 H new ATOM 0 HD13 LEU A 17 2.764 -5.704 5.561 1.00 4.31 H new ATOM 0 HD21 LEU A 17 4.891 -5.493 7.791 1.00 61.53 H new ATOM 0 HD22 LEU A 17 3.820 -6.902 7.603 1.00 61.53 H new ATOM 0 HD23 LEU A 17 5.586 -7.124 7.629 1.00 61.53 H new ATOM 275 N ASP A 18 7.007 -7.739 2.848 1.00 32.13 N ATOM 276 CA ASP A 18 8.255 -7.243 2.261 1.00 60.21 C ATOM 277 C ASP A 18 8.005 -6.576 0.899 1.00 4.20 C ATOM 278 O ASP A 18 8.654 -5.591 0.554 1.00 52.22 O ATOM 279 CB ASP A 18 9.270 -8.383 2.109 1.00 32.44 C ATOM 280 CG ASP A 18 9.894 -8.820 3.428 1.00 10.42 C ATOM 281 OD1 ASP A 18 9.513 -8.296 4.502 1.00 63.41 O ATOM 282 OD2 ASP A 18 10.789 -9.691 3.393 1.00 15.02 O ATOM 0 H ASP A 18 7.017 -8.732 3.081 1.00 32.13 H new ATOM 0 HA ASP A 18 8.663 -6.493 2.938 1.00 60.21 H new ATOM 0 HB2 ASP A 18 8.777 -9.239 1.648 1.00 32.44 H new ATOM 0 HB3 ASP A 18 10.061 -8.067 1.429 1.00 32.44 H new ATOM 287 N ILE A 19 7.046 -7.108 0.143 1.00 45.22 N ATOM 288 CA ILE A 19 6.674 -6.532 -1.153 1.00 51.12 C ATOM 289 C ILE A 19 6.254 -5.058 -0.997 1.00 54.14 C ATOM 290 O ILE A 19 6.619 -4.206 -1.813 1.00 14.21 O ATOM 291 CB ILE A 19 5.523 -7.336 -1.815 1.00 15.35 C ATOM 292 CG1 ILE A 19 5.884 -8.829 -1.882 1.00 51.41 C ATOM 293 CG2 ILE A 19 5.216 -6.794 -3.211 1.00 72.00 C ATOM 294 CD1 ILE A 19 4.782 -9.705 -2.445 1.00 71.22 C ATOM 0 H ILE A 19 6.511 -7.937 0.403 1.00 45.22 H new ATOM 0 HA ILE A 19 7.551 -6.585 -1.798 1.00 51.12 H new ATOM 0 HB ILE A 19 4.628 -7.222 -1.203 1.00 15.35 H new ATOM 0 HG12 ILE A 19 6.778 -8.949 -2.494 1.00 51.41 H new ATOM 0 HG13 ILE A 19 6.135 -9.177 -0.880 1.00 51.41 H new ATOM 0 HG21 ILE A 19 4.406 -7.372 -3.656 1.00 72.00 H new ATOM 0 HG22 ILE A 19 4.917 -5.748 -3.138 1.00 72.00 H new ATOM 0 HG23 ILE A 19 6.105 -6.874 -3.836 1.00 72.00 H new ATOM 0 HD11 ILE A 19 5.114 -10.743 -2.459 1.00 71.22 H new ATOM 0 HD12 ILE A 19 3.893 -9.617 -1.821 1.00 71.22 H new ATOM 0 HD13 ILE A 19 4.546 -9.386 -3.460 1.00 71.22 H new ATOM 306 N LEU A 20 5.502 -4.761 0.067 1.00 14.31 N ATOM 307 CA LEU A 20 5.110 -3.380 0.374 1.00 63.11 C ATOM 308 C LEU A 20 6.313 -2.580 0.892 1.00 63.21 C ATOM 309 O LEU A 20 6.519 -1.430 0.502 1.00 34.33 O ATOM 310 CB LEU A 20 3.967 -3.325 1.406 1.00 3.45 C ATOM 311 CG LEU A 20 2.644 -3.993 0.977 1.00 45.33 C ATOM 312 CD1 LEU A 20 2.673 -5.499 1.232 1.00 71.42 C ATOM 313 CD2 LEU A 20 1.450 -3.343 1.679 1.00 23.54 C ATOM 0 H LEU A 20 5.153 -5.455 0.729 1.00 14.31 H new ATOM 0 HA LEU A 20 4.751 -2.934 -0.553 1.00 63.11 H new ATOM 0 HB2 LEU A 20 4.310 -3.799 2.326 1.00 3.45 H new ATOM 0 HB3 LEU A 20 3.765 -2.280 1.642 1.00 3.45 H new ATOM 0 HG LEU A 20 2.530 -3.841 -0.096 1.00 45.33 H new ATOM 0 HD11 LEU A 20 1.726 -5.939 0.919 1.00 71.42 H new ATOM 0 HD12 LEU A 20 3.488 -5.949 0.664 1.00 71.42 H new ATOM 0 HD13 LEU A 20 2.826 -5.685 2.295 1.00 71.42 H new ATOM 0 HD21 LEU A 20 0.530 -3.832 1.359 1.00 23.54 H new ATOM 0 HD22 LEU A 20 1.561 -3.448 2.758 1.00 23.54 H new ATOM 0 HD23 LEU A 20 1.408 -2.285 1.420 1.00 23.54 H new ATOM 325 N LYS A 21 7.112 -3.204 1.766 1.00 30.44 N ATOM 326 CA LYS A 21 8.341 -2.579 2.288 1.00 60.40 C ATOM 327 C LYS A 21 9.263 -2.128 1.140 1.00 71.40 C ATOM 328 O LYS A 21 9.922 -1.096 1.229 1.00 54.03 O ATOM 329 CB LYS A 21 9.104 -3.561 3.196 1.00 52.13 C ATOM 330 CG LYS A 21 8.361 -3.970 4.469 1.00 3.22 C ATOM 331 CD LYS A 21 9.085 -5.107 5.189 1.00 21.45 C ATOM 332 CE LYS A 21 8.364 -5.546 6.459 1.00 62.45 C ATOM 333 NZ LYS A 21 8.836 -6.877 6.929 1.00 73.42 N ATOM 0 H LYS A 21 6.933 -4.140 2.128 1.00 30.44 H new ATOM 0 HA LYS A 21 8.045 -1.705 2.868 1.00 60.40 H new ATOM 0 HB2 LYS A 21 9.335 -4.459 2.623 1.00 52.13 H new ATOM 0 HB3 LYS A 21 10.055 -3.109 3.477 1.00 52.13 H new ATOM 0 HG2 LYS A 21 8.274 -3.111 5.135 1.00 3.22 H new ATOM 0 HG3 LYS A 21 7.347 -4.282 4.218 1.00 3.22 H new ATOM 0 HD2 LYS A 21 9.178 -5.959 4.515 1.00 21.45 H new ATOM 0 HD3 LYS A 21 10.096 -4.788 5.441 1.00 21.45 H new ATOM 0 HE2 LYS A 21 8.524 -4.806 7.243 1.00 62.45 H new ATOM 0 HE3 LYS A 21 7.291 -5.586 6.273 1.00 62.45 H new ATOM 0 HZ1 LYS A 21 8.072 -7.352 7.451 1.00 73.42 H new ATOM 0 HZ2 LYS A 21 9.109 -7.457 6.110 1.00 73.42 H new ATOM 0 HZ3 LYS A 21 9.657 -6.753 7.555 1.00 73.42 H new ATOM 347 N ILE A 22 9.293 -2.917 0.066 1.00 54.44 N ATOM 348 CA ILE A 22 10.125 -2.623 -1.107 1.00 34.31 C ATOM 349 C ILE A 22 9.505 -1.534 -1.999 1.00 1.43 C ATOM 350 O ILE A 22 10.120 -0.499 -2.257 1.00 12.33 O ATOM 351 CB ILE A 22 10.347 -3.904 -1.957 1.00 13.31 C ATOM 352 CG1 ILE A 22 11.100 -4.968 -1.139 1.00 73.12 C ATOM 353 CG2 ILE A 22 11.102 -3.581 -3.247 1.00 22.42 C ATOM 354 CD1 ILE A 22 11.234 -6.304 -1.843 1.00 3.42 C ATOM 0 H ILE A 22 8.746 -3.774 -0.018 1.00 54.44 H new ATOM 0 HA ILE A 22 11.079 -2.257 -0.728 1.00 34.31 H new ATOM 0 HB ILE A 22 9.371 -4.304 -2.230 1.00 13.31 H new ATOM 0 HG12 ILE A 22 12.095 -4.592 -0.902 1.00 73.12 H new ATOM 0 HG13 ILE A 22 10.582 -5.118 -0.192 1.00 73.12 H new ATOM 0 HG21 ILE A 22 11.244 -4.495 -3.824 1.00 22.42 H new ATOM 0 HG22 ILE A 22 10.527 -2.866 -3.836 1.00 22.42 H new ATOM 0 HG23 ILE A 22 12.073 -3.151 -3.002 1.00 22.42 H new ATOM 0 HD11 ILE A 22 11.776 -7.000 -1.203 1.00 3.42 H new ATOM 0 HD12 ILE A 22 10.243 -6.704 -2.056 1.00 3.42 H new ATOM 0 HD13 ILE A 22 11.780 -6.170 -2.777 1.00 3.42 H new ATOM 366 N HIS A 23 8.271 -1.763 -2.454 1.00 13.54 N ATOM 367 CA HIS A 23 7.640 -0.885 -3.448 1.00 51.12 C ATOM 368 C HIS A 23 7.160 0.456 -2.858 1.00 62.43 C ATOM 369 O HIS A 23 6.635 1.300 -3.587 1.00 73.42 O ATOM 370 CB HIS A 23 6.475 -1.609 -4.140 1.00 51.41 C ATOM 371 CG HIS A 23 6.911 -2.776 -4.972 1.00 52.40 C ATOM 372 ND1 HIS A 23 6.660 -4.101 -4.852 1.00 63.41 N flip ATOM 373 CD2 HIS A 23 7.715 -2.643 -6.083 1.00 11.43 C flip ATOM 374 CE1 HIS A 23 7.312 -4.729 -5.883 1.00 5.02 C flip ATOM 375 NE2 HIS A 23 7.937 -3.829 -6.608 1.00 23.15 N flip ATOM 0 H HIS A 23 7.689 -2.545 -2.153 1.00 13.54 H new ATOM 0 HA HIS A 23 8.410 -0.645 -4.181 1.00 51.12 H new ATOM 0 HB2 HIS A 23 5.771 -1.955 -3.383 1.00 51.41 H new ATOM 0 HB3 HIS A 23 5.941 -0.900 -4.773 1.00 51.41 H new ATOM 0 HD2 HIS A 23 8.103 -1.710 -6.464 1.00 11.43 H new ATOM 0 HE1 HIS A 23 7.312 -5.793 -6.069 1.00 5.02 H new ATOM 0 HE2 HIS A 23 8.499 -4.018 -7.438 1.00 23.15 H new ATOM 384 N SER A 24 7.347 0.661 -1.557 1.00 3.51 N ATOM 385 CA SER A 24 6.978 1.938 -0.912 1.00 32.40 C ATOM 386 C SER A 24 8.183 2.883 -0.785 1.00 23.34 C ATOM 387 O SER A 24 8.027 4.063 -0.476 1.00 14.11 O ATOM 388 CB SER A 24 6.379 1.684 0.481 1.00 42.43 C ATOM 389 OG SER A 24 7.329 1.089 1.352 1.00 40.40 O ATOM 0 H SER A 24 7.749 -0.030 -0.924 1.00 3.51 H new ATOM 0 HA SER A 24 6.234 2.416 -1.549 1.00 32.40 H new ATOM 0 HB2 SER A 24 6.032 2.625 0.907 1.00 42.43 H new ATOM 0 HB3 SER A 24 5.508 1.035 0.392 1.00 42.43 H new ATOM 0 HG SER A 24 7.280 0.113 1.273 1.00 40.40 H new ATOM 395 N ARG A 25 9.378 2.366 -1.069 1.00 70.40 N ATOM 396 CA ARG A 25 10.630 3.107 -0.840 1.00 73.34 C ATOM 397 C ARG A 25 10.863 4.244 -1.856 1.00 12.21 C ATOM 398 O ARG A 25 11.888 4.925 -1.803 1.00 52.32 O ATOM 399 CB ARG A 25 11.818 2.136 -0.871 1.00 42.03 C ATOM 400 CG ARG A 25 11.693 0.983 0.123 1.00 20.21 C ATOM 401 CD ARG A 25 12.863 0.006 0.023 1.00 15.42 C ATOM 402 NE ARG A 25 14.118 0.599 0.478 1.00 50.42 N ATOM 403 CZ ARG A 25 15.297 0.254 0.045 1.00 2.51 C ATOM 404 NH1 ARG A 25 15.428 -0.676 -0.846 1.00 2.53 N ATOM 405 NH2 ARG A 25 16.348 0.837 0.518 1.00 50.41 N ATOM 0 H ARG A 25 9.511 1.433 -1.460 1.00 70.40 H new ATOM 0 HA ARG A 25 10.542 3.575 0.140 1.00 73.34 H new ATOM 0 HB2 ARG A 25 11.917 1.728 -1.877 1.00 42.03 H new ATOM 0 HB3 ARG A 25 12.734 2.689 -0.660 1.00 42.03 H new ATOM 0 HG2 ARG A 25 11.641 1.383 1.136 1.00 20.21 H new ATOM 0 HG3 ARG A 25 10.760 0.449 -0.057 1.00 20.21 H new ATOM 0 HD2 ARG A 25 12.645 -0.881 0.618 1.00 15.42 H new ATOM 0 HD3 ARG A 25 12.972 -0.323 -1.010 1.00 15.42 H new ATOM 0 HE ARG A 25 14.068 1.334 1.183 1.00 50.42 H new ATOM 0 HH11 ARG A 25 14.603 -1.147 -1.217 1.00 2.53 H new ATOM 0 HH12 ARG A 25 16.357 -0.938 -1.177 1.00 2.53 H new ATOM 0 HH21 ARG A 25 16.252 1.564 1.227 1.00 50.41 H new ATOM 0 HH22 ARG A 25 17.274 0.571 0.182 1.00 50.41 H new ATOM 419 N LYS A 26 9.926 4.453 -2.782 1.00 34.03 N ATOM 420 CA LYS A 26 10.051 5.538 -3.768 1.00 21.41 C ATOM 421 C LYS A 26 9.154 6.735 -3.417 1.00 74.42 C ATOM 422 O LYS A 26 9.478 7.880 -3.743 1.00 21.23 O ATOM 423 CB LYS A 26 9.720 5.034 -5.178 1.00 54.24 C ATOM 424 CG LYS A 26 10.696 3.989 -5.701 1.00 32.34 C ATOM 425 CD LYS A 26 10.346 3.557 -7.124 1.00 51.23 C ATOM 426 CE LYS A 26 11.305 2.498 -7.652 1.00 31.42 C ATOM 427 NZ LYS A 26 11.348 1.295 -6.778 1.00 23.14 N ATOM 0 H LYS A 26 9.078 3.893 -2.873 1.00 34.03 H new ATOM 0 HA LYS A 26 11.088 5.874 -3.744 1.00 21.41 H new ATOM 0 HB2 LYS A 26 8.715 4.611 -5.176 1.00 54.24 H new ATOM 0 HB3 LYS A 26 9.708 5.882 -5.863 1.00 54.24 H new ATOM 0 HG2 LYS A 26 11.708 4.393 -5.681 1.00 32.34 H new ATOM 0 HG3 LYS A 26 10.687 3.120 -5.043 1.00 32.34 H new ATOM 0 HD2 LYS A 26 9.328 3.167 -7.144 1.00 51.23 H new ATOM 0 HD3 LYS A 26 10.367 4.426 -7.782 1.00 51.23 H new ATOM 0 HE2 LYS A 26 11.002 2.204 -8.657 1.00 31.42 H new ATOM 0 HE3 LYS A 26 12.305 2.923 -7.732 1.00 31.42 H new ATOM 0 HZ1 LYS A 26 11.832 0.521 -7.276 1.00 23.14 H new ATOM 0 HZ2 LYS A 26 11.864 1.520 -5.903 1.00 23.14 H new ATOM 0 HZ3 LYS A 26 10.378 1.002 -6.543 1.00 23.14 H new ATOM 441 N MET A 27 8.021 6.470 -2.766 1.00 43.13 N ATOM 442 CA MET A 27 7.093 7.536 -2.360 1.00 74.11 C ATOM 443 C MET A 27 7.405 8.041 -0.943 1.00 54.35 C ATOM 444 O MET A 27 7.920 7.298 -0.109 1.00 35.13 O ATOM 445 CB MET A 27 5.639 7.038 -2.426 1.00 3.34 C ATOM 446 CG MET A 27 5.185 6.641 -3.825 1.00 70.24 C ATOM 447 SD MET A 27 3.460 6.107 -3.875 1.00 74.01 S ATOM 448 CE MET A 27 3.485 4.716 -2.740 1.00 34.15 C ATOM 0 H MET A 27 7.721 5.530 -2.507 1.00 43.13 H new ATOM 0 HA MET A 27 7.221 8.366 -3.055 1.00 74.11 H new ATOM 0 HB2 MET A 27 5.528 6.181 -1.762 1.00 3.34 H new ATOM 0 HB3 MET A 27 4.980 7.820 -2.049 1.00 3.34 H new ATOM 0 HG2 MET A 27 5.319 7.487 -4.499 1.00 70.24 H new ATOM 0 HG3 MET A 27 5.821 5.836 -4.194 1.00 70.24 H new ATOM 0 HE1 MET A 27 2.612 4.087 -2.916 1.00 34.15 H new ATOM 0 HE2 MET A 27 4.391 4.132 -2.900 1.00 34.15 H new ATOM 0 HE3 MET A 27 3.467 5.083 -1.714 1.00 34.15 H new ATOM 458 N ASN A 28 7.096 9.310 -0.677 1.00 22.34 N ATOM 459 CA ASN A 28 7.312 9.889 0.654 1.00 23.41 C ATOM 460 C ASN A 28 6.404 9.225 1.697 1.00 64.12 C ATOM 461 O ASN A 28 5.207 9.493 1.748 1.00 51.03 O ATOM 462 CB ASN A 28 7.054 11.402 0.653 1.00 25.23 C ATOM 463 CG ASN A 28 7.726 12.115 -0.501 1.00 64.32 C ATOM 464 OD1 ASN A 28 8.902 12.455 -0.442 1.00 21.04 O ATOM 465 ND2 ASN A 28 6.973 12.386 -1.548 1.00 51.42 N ATOM 0 H ASN A 28 6.698 9.955 -1.359 1.00 22.34 H new ATOM 0 HA ASN A 28 8.354 9.707 0.916 1.00 23.41 H new ATOM 0 HB2 ASN A 28 5.980 11.582 0.608 1.00 25.23 H new ATOM 0 HB3 ASN A 28 7.410 11.826 1.592 1.00 25.23 H new ATOM 0 HD21 ASN A 28 7.366 12.893 -2.341 1.00 51.42 H new ATOM 0 HD22 ASN A 28 5.997 12.089 -1.565 1.00 51.42 H new ATOM 472 N LEU A 29 6.966 8.345 2.513 1.00 2.22 N ATOM 473 CA LEU A 29 6.197 7.702 3.584 1.00 23.44 C ATOM 474 C LEU A 29 6.034 8.651 4.780 1.00 14.31 C ATOM 475 O LEU A 29 6.961 9.391 5.127 1.00 22.23 O ATOM 476 CB LEU A 29 6.879 6.398 4.022 1.00 21.44 C ATOM 477 CG LEU A 29 7.087 5.361 2.901 1.00 53.51 C ATOM 478 CD1 LEU A 29 7.704 4.082 3.457 1.00 13.35 C ATOM 479 CD2 LEU A 29 5.769 5.061 2.188 1.00 33.12 C ATOM 0 H LEU A 29 7.943 8.057 2.460 1.00 2.22 H new ATOM 0 HA LEU A 29 5.205 7.464 3.200 1.00 23.44 H new ATOM 0 HB2 LEU A 29 7.849 6.641 4.455 1.00 21.44 H new ATOM 0 HB3 LEU A 29 6.282 5.942 4.812 1.00 21.44 H new ATOM 0 HG LEU A 29 7.778 5.783 2.172 1.00 53.51 H new ATOM 0 HD11 LEU A 29 7.842 3.364 2.649 1.00 13.35 H new ATOM 0 HD12 LEU A 29 8.669 4.310 3.909 1.00 13.35 H new ATOM 0 HD13 LEU A 29 7.042 3.657 4.211 1.00 13.35 H new ATOM 0 HD21 LEU A 29 5.940 4.327 1.401 1.00 33.12 H new ATOM 0 HD22 LEU A 29 5.050 4.664 2.905 1.00 33.12 H new ATOM 0 HD23 LEU A 29 5.376 5.978 1.749 1.00 33.12 H new ATOM 491 N THR A 30 4.856 8.643 5.405 1.00 71.34 N ATOM 492 CA THR A 30 4.589 9.530 6.550 1.00 35.52 C ATOM 493 C THR A 30 5.484 9.202 7.760 1.00 73.12 C ATOM 494 O THR A 30 6.268 8.248 7.737 1.00 34.44 O ATOM 495 CB THR A 30 3.101 9.488 6.989 1.00 3.03 C ATOM 496 OG1 THR A 30 2.874 10.439 8.041 1.00 52.31 O ATOM 497 CG2 THR A 30 2.695 8.102 7.473 1.00 2.22 C ATOM 0 H THR A 30 4.075 8.040 5.145 1.00 71.34 H new ATOM 0 HA THR A 30 4.824 10.536 6.202 1.00 35.52 H new ATOM 0 HB THR A 30 2.495 9.738 6.118 1.00 3.03 H new ATOM 0 HG1 THR A 30 1.933 10.408 8.312 1.00 52.31 H new ATOM 0 HG21 THR A 30 1.647 8.113 7.771 1.00 2.22 H new ATOM 0 HG22 THR A 30 2.835 7.380 6.669 1.00 2.22 H new ATOM 0 HG23 THR A 30 3.312 7.819 8.326 1.00 2.22 H new ATOM 505 N ARG A 31 5.353 9.997 8.819 1.00 64.22 N ATOM 506 CA ARG A 31 6.207 9.874 10.006 1.00 72.12 C ATOM 507 C ARG A 31 5.965 8.547 10.753 1.00 5.32 C ATOM 508 O ARG A 31 6.903 7.935 11.272 1.00 31.13 O ATOM 509 CB ARG A 31 5.966 11.073 10.938 1.00 43.42 C ATOM 510 CG ARG A 31 6.082 12.426 10.228 1.00 64.22 C ATOM 511 CD ARG A 31 5.861 13.603 11.174 1.00 32.13 C ATOM 512 NE ARG A 31 6.962 13.773 12.119 1.00 34.41 N ATOM 513 CZ ARG A 31 6.993 14.684 13.054 1.00 53.43 C ATOM 514 NH1 ARG A 31 5.998 15.499 13.221 1.00 23.20 N ATOM 515 NH2 ARG A 31 8.023 14.776 13.831 1.00 25.54 N ATOM 0 H ARG A 31 4.658 10.741 8.883 1.00 64.22 H new ATOM 0 HA ARG A 31 7.247 9.871 9.679 1.00 72.12 H new ATOM 0 HB2 ARG A 31 4.974 10.987 11.380 1.00 43.42 H new ATOM 0 HB3 ARG A 31 6.684 11.038 11.757 1.00 43.42 H new ATOM 0 HG2 ARG A 31 7.069 12.510 9.773 1.00 64.22 H new ATOM 0 HG3 ARG A 31 5.353 12.472 9.419 1.00 64.22 H new ATOM 0 HD2 ARG A 31 5.742 14.516 10.591 1.00 32.13 H new ATOM 0 HD3 ARG A 31 4.933 13.453 11.725 1.00 32.13 H new ATOM 0 HE ARG A 31 7.758 13.139 12.044 1.00 34.41 H new ATOM 0 HH11 ARG A 31 5.178 15.433 12.618 1.00 23.20 H new ATOM 0 HH12 ARG A 31 6.036 16.206 13.955 1.00 23.20 H new ATOM 0 HH21 ARG A 31 8.810 14.137 13.713 1.00 25.54 H new ATOM 0 HH22 ARG A 31 8.049 15.487 14.562 1.00 25.54 H new ATOM 529 N GLY A 32 4.710 8.100 10.800 1.00 73.01 N ATOM 530 CA GLY A 32 4.385 6.829 11.452 1.00 60.22 C ATOM 531 C GLY A 32 3.481 5.930 10.606 1.00 24.12 C ATOM 532 O GLY A 32 2.346 5.639 10.990 1.00 35.23 O ATOM 0 H GLY A 32 3.910 8.591 10.400 1.00 73.01 H new ATOM 0 HA2 GLY A 32 5.309 6.296 11.676 1.00 60.22 H new ATOM 0 HA3 GLY A 32 3.896 7.032 12.405 1.00 60.22 H new ATOM 536 N ILE A 33 3.987 5.471 9.461 1.00 10.31 N ATOM 537 CA ILE A 33 3.197 4.630 8.548 1.00 24.14 C ATOM 538 C ILE A 33 3.184 3.152 8.984 1.00 33.44 C ATOM 539 O ILE A 33 4.234 2.541 9.208 1.00 3.34 O ATOM 540 CB ILE A 33 3.714 4.740 7.084 1.00 34.05 C ATOM 541 CG1 ILE A 33 2.852 3.880 6.138 1.00 35.42 C ATOM 542 CG2 ILE A 33 5.190 4.350 6.989 1.00 43.42 C ATOM 543 CD1 ILE A 33 3.231 4.007 4.675 1.00 63.23 C ATOM 0 H ILE A 33 4.936 5.664 9.141 1.00 10.31 H new ATOM 0 HA ILE A 33 2.175 5.006 8.592 1.00 24.14 H new ATOM 0 HB ILE A 33 3.627 5.781 6.772 1.00 34.05 H new ATOM 0 HG12 ILE A 33 2.936 2.835 6.435 1.00 35.42 H new ATOM 0 HG13 ILE A 33 1.806 4.162 6.258 1.00 35.42 H new ATOM 0 HG21 ILE A 33 5.523 4.436 5.955 1.00 43.42 H new ATOM 0 HG22 ILE A 33 5.783 5.014 7.618 1.00 43.42 H new ATOM 0 HG23 ILE A 33 5.317 3.321 7.326 1.00 43.42 H new ATOM 0 HD11 ILE A 33 2.580 3.372 4.074 1.00 63.23 H new ATOM 0 HD12 ILE A 33 3.119 5.044 4.359 1.00 63.23 H new ATOM 0 HD13 ILE A 33 4.267 3.696 4.539 1.00 63.23 H new ATOM 555 N ASN A 34 1.983 2.585 9.110 1.00 72.45 N ATOM 556 CA ASN A 34 1.818 1.174 9.484 1.00 63.45 C ATOM 557 C ASN A 34 1.453 0.317 8.260 1.00 3.41 C ATOM 558 O ASN A 34 0.331 0.385 7.748 1.00 23.11 O ATOM 559 CB ASN A 34 0.742 1.038 10.579 1.00 41.24 C ATOM 560 CG ASN A 34 0.564 -0.392 11.081 1.00 65.13 C ATOM 561 OD1 ASN A 34 0.772 -1.354 10.355 1.00 42.10 O ATOM 562 ND2 ASN A 34 0.153 -0.544 12.323 1.00 62.34 N ATOM 0 H ASN A 34 1.105 3.082 8.958 1.00 72.45 H new ATOM 0 HA ASN A 34 2.768 0.810 9.876 1.00 63.45 H new ATOM 0 HB2 ASN A 34 1.007 1.680 11.419 1.00 41.24 H new ATOM 0 HB3 ASN A 34 -0.210 1.399 10.189 1.00 41.24 H new ATOM 0 HD21 ASN A 34 0.001 -1.480 12.699 1.00 62.34 H new ATOM 0 HD22 ASN A 34 -0.014 0.274 12.909 1.00 62.34 H new ATOM 569 N LEU A 35 2.411 -0.486 7.794 1.00 72.12 N ATOM 570 CA LEU A 35 2.185 -1.403 6.669 1.00 31.34 C ATOM 571 C LEU A 35 1.740 -2.791 7.157 1.00 32.33 C ATOM 572 O LEU A 35 1.126 -3.555 6.407 1.00 21.40 O ATOM 573 CB LEU A 35 3.457 -1.529 5.818 1.00 63.23 C ATOM 574 CG LEU A 35 3.895 -0.245 5.093 1.00 4.32 C ATOM 575 CD1 LEU A 35 5.192 -0.474 4.316 1.00 60.42 C ATOM 576 CD2 LEU A 35 2.789 0.252 4.159 1.00 72.02 C ATOM 0 H LEU A 35 3.355 -0.522 8.178 1.00 72.12 H new ATOM 0 HA LEU A 35 1.385 -0.986 6.058 1.00 31.34 H new ATOM 0 HB2 LEU A 35 4.273 -1.859 6.461 1.00 63.23 H new ATOM 0 HB3 LEU A 35 3.301 -2.311 5.075 1.00 63.23 H new ATOM 0 HG LEU A 35 4.080 0.522 5.845 1.00 4.32 H new ATOM 0 HD11 LEU A 35 5.482 0.448 3.812 1.00 60.42 H new ATOM 0 HD12 LEU A 35 5.981 -0.774 5.006 1.00 60.42 H new ATOM 0 HD13 LEU A 35 5.039 -1.260 3.576 1.00 60.42 H new ATOM 0 HD21 LEU A 35 3.119 1.161 3.656 1.00 72.02 H new ATOM 0 HD22 LEU A 35 2.569 -0.514 3.416 1.00 72.02 H new ATOM 0 HD23 LEU A 35 1.891 0.464 4.739 1.00 72.02 H new ATOM 588 N ARG A 36 2.053 -3.108 8.416 1.00 52.31 N ATOM 589 CA ARG A 36 1.637 -4.378 9.033 1.00 35.43 C ATOM 590 C ARG A 36 0.123 -4.590 8.887 1.00 70.24 C ATOM 591 O ARG A 36 -0.328 -5.614 8.377 1.00 43.43 O ATOM 592 CB ARG A 36 2.032 -4.383 10.521 1.00 71.11 C ATOM 593 CG ARG A 36 1.540 -5.596 11.314 1.00 12.03 C ATOM 594 CD ARG A 36 2.151 -6.901 10.818 1.00 65.01 C ATOM 595 NE ARG A 36 3.608 -6.891 10.906 1.00 44.33 N ATOM 596 CZ ARG A 36 4.375 -7.852 10.474 1.00 13.41 C ATOM 597 NH1 ARG A 36 3.864 -8.934 9.988 1.00 13.04 N ATOM 598 NH2 ARG A 36 5.655 -7.735 10.555 1.00 52.53 N ATOM 0 H ARG A 36 2.595 -2.503 9.033 1.00 52.31 H new ATOM 0 HA ARG A 36 2.143 -5.196 8.520 1.00 35.43 H new ATOM 0 HB2 ARG A 36 3.119 -4.336 10.594 1.00 71.11 H new ATOM 0 HB3 ARG A 36 1.642 -3.479 10.989 1.00 71.11 H new ATOM 0 HG2 ARG A 36 1.784 -5.461 12.368 1.00 12.03 H new ATOM 0 HG3 ARG A 36 0.454 -5.657 11.244 1.00 12.03 H new ATOM 0 HD2 ARG A 36 1.758 -7.731 11.405 1.00 65.01 H new ATOM 0 HD3 ARG A 36 1.851 -7.072 9.784 1.00 65.01 H new ATOM 0 HE ARG A 36 4.055 -6.080 11.333 1.00 44.33 H new ATOM 0 HH11 ARG A 36 2.851 -9.043 9.940 1.00 13.04 H new ATOM 0 HH12 ARG A 36 4.473 -9.680 9.653 1.00 13.04 H new ATOM 0 HH21 ARG A 36 6.066 -6.892 10.956 1.00 52.53 H new ATOM 0 HH22 ARG A 36 6.258 -8.485 10.218 1.00 52.53 H new ATOM 612 N LYS A 37 -0.644 -3.588 9.311 1.00 52.33 N ATOM 613 CA LYS A 37 -2.109 -3.623 9.235 1.00 60.33 C ATOM 614 C LYS A 37 -2.584 -3.865 7.786 1.00 23.13 C ATOM 615 O LYS A 37 -3.578 -4.550 7.553 1.00 2.10 O ATOM 616 CB LYS A 37 -2.671 -2.293 9.795 1.00 52.11 C ATOM 617 CG LYS A 37 -4.167 -2.297 10.134 1.00 44.11 C ATOM 618 CD LYS A 37 -5.061 -2.163 8.900 1.00 62.24 C ATOM 619 CE LYS A 37 -5.008 -0.768 8.283 1.00 33.53 C ATOM 620 NZ LYS A 37 -5.559 0.270 9.194 1.00 22.13 N ATOM 0 H LYS A 37 -0.272 -2.729 9.717 1.00 52.33 H new ATOM 0 HA LYS A 37 -2.484 -4.452 9.835 1.00 60.33 H new ATOM 0 HB2 LYS A 37 -2.113 -2.034 10.695 1.00 52.11 H new ATOM 0 HB3 LYS A 37 -2.484 -1.505 9.066 1.00 52.11 H new ATOM 0 HG2 LYS A 37 -4.413 -3.222 10.655 1.00 44.11 H new ATOM 0 HG3 LYS A 37 -4.380 -1.478 10.821 1.00 44.11 H new ATOM 0 HD2 LYS A 37 -4.757 -2.897 8.154 1.00 62.24 H new ATOM 0 HD3 LYS A 37 -6.090 -2.395 9.175 1.00 62.24 H new ATOM 0 HE2 LYS A 37 -3.976 -0.521 8.036 1.00 33.53 H new ATOM 0 HE3 LYS A 37 -5.569 -0.764 7.349 1.00 33.53 H new ATOM 0 HZ1 LYS A 37 -6.077 0.980 8.638 1.00 22.13 H new ATOM 0 HZ2 LYS A 37 -6.206 -0.175 9.876 1.00 22.13 H new ATOM 0 HZ3 LYS A 37 -4.780 0.731 9.706 1.00 22.13 H new ATOM 634 N ILE A 38 -1.848 -3.316 6.820 1.00 4.42 N ATOM 635 CA ILE A 38 -2.224 -3.409 5.403 1.00 72.31 C ATOM 636 C ILE A 38 -2.111 -4.848 4.875 1.00 63.43 C ATOM 637 O ILE A 38 -3.062 -5.388 4.308 1.00 60.25 O ATOM 638 CB ILE A 38 -1.344 -2.477 4.530 1.00 31.21 C ATOM 639 CG1 ILE A 38 -1.414 -1.032 5.047 1.00 42.00 C ATOM 640 CG2 ILE A 38 -1.775 -2.543 3.064 1.00 53.15 C ATOM 641 CD1 ILE A 38 -2.812 -0.449 5.044 1.00 73.10 C ATOM 0 H ILE A 38 -0.985 -2.800 6.990 1.00 4.42 H new ATOM 0 HA ILE A 38 -3.265 -3.093 5.335 1.00 72.31 H new ATOM 0 HB ILE A 38 -0.311 -2.819 4.598 1.00 31.21 H new ATOM 0 HG12 ILE A 38 -1.019 -1.000 6.062 1.00 42.00 H new ATOM 0 HG13 ILE A 38 -0.767 -0.405 4.433 1.00 42.00 H new ATOM 0 HG21 ILE A 38 -1.145 -1.882 2.469 1.00 53.15 H new ATOM 0 HG22 ILE A 38 -1.673 -3.565 2.700 1.00 53.15 H new ATOM 0 HG23 ILE A 38 -2.815 -2.229 2.976 1.00 53.15 H new ATOM 0 HD11 ILE A 38 -2.781 0.573 5.422 1.00 73.10 H new ATOM 0 HD12 ILE A 38 -3.204 -0.448 4.027 1.00 73.10 H new ATOM 0 HD13 ILE A 38 -3.459 -1.052 5.681 1.00 73.10 H new ATOM 653 N ALA A 39 -0.945 -5.466 5.072 1.00 4.25 N ATOM 654 CA ALA A 39 -0.709 -6.839 4.599 1.00 4.02 C ATOM 655 C ALA A 39 -1.698 -7.835 5.224 1.00 11.24 C ATOM 656 O ALA A 39 -2.109 -8.803 4.581 1.00 44.12 O ATOM 657 CB ALA A 39 0.726 -7.264 4.893 1.00 13.03 C ATOM 0 H ALA A 39 -0.151 -5.044 5.553 1.00 4.25 H new ATOM 0 HA ALA A 39 -0.869 -6.846 3.521 1.00 4.02 H new ATOM 0 HB1 ALA A 39 0.884 -8.282 4.537 1.00 13.03 H new ATOM 0 HB2 ALA A 39 1.416 -6.590 4.385 1.00 13.03 H new ATOM 0 HB3 ALA A 39 0.905 -7.224 5.968 1.00 13.03 H new ATOM 663 N GLU A 40 -2.081 -7.579 6.472 1.00 75.12 N ATOM 664 CA GLU A 40 -3.038 -8.433 7.188 1.00 64.11 C ATOM 665 C GLU A 40 -4.437 -8.383 6.546 1.00 2.41 C ATOM 666 O GLU A 40 -5.243 -9.301 6.712 1.00 2.20 O ATOM 667 CB GLU A 40 -3.123 -8.007 8.663 1.00 52.44 C ATOM 668 CG GLU A 40 -1.804 -8.138 9.419 1.00 3.12 C ATOM 669 CD GLU A 40 -1.920 -7.739 10.885 1.00 34.31 C ATOM 670 OE1 GLU A 40 -2.261 -8.607 11.716 1.00 1.32 O ATOM 671 OE2 GLU A 40 -1.670 -6.560 11.217 1.00 20.31 O ATOM 0 H GLU A 40 -1.744 -6.784 7.015 1.00 75.12 H new ATOM 0 HA GLU A 40 -2.678 -9.460 7.125 1.00 64.11 H new ATOM 0 HB2 GLU A 40 -3.459 -6.971 8.714 1.00 52.44 H new ATOM 0 HB3 GLU A 40 -3.879 -8.612 9.163 1.00 52.44 H new ATOM 0 HG2 GLU A 40 -1.455 -9.168 9.354 1.00 3.12 H new ATOM 0 HG3 GLU A 40 -1.051 -7.515 8.936 1.00 3.12 H new ATOM 678 N LEU A 41 -4.718 -7.310 5.807 1.00 43.00 N ATOM 679 CA LEU A 41 -6.019 -7.140 5.148 1.00 52.40 C ATOM 680 C LEU A 41 -6.105 -7.920 3.826 1.00 54.35 C ATOM 681 O LEU A 41 -7.189 -8.053 3.254 1.00 41.21 O ATOM 682 CB LEU A 41 -6.290 -5.652 4.880 1.00 1.12 C ATOM 683 CG LEU A 41 -6.353 -4.749 6.124 1.00 63.21 C ATOM 684 CD1 LEU A 41 -6.567 -3.292 5.720 1.00 20.13 C ATOM 685 CD2 LEU A 41 -7.454 -5.214 7.078 1.00 72.25 C ATOM 0 H LEU A 41 -4.064 -6.544 5.648 1.00 43.00 H new ATOM 0 HA LEU A 41 -6.774 -7.539 5.825 1.00 52.40 H new ATOM 0 HB2 LEU A 41 -5.511 -5.273 4.218 1.00 1.12 H new ATOM 0 HB3 LEU A 41 -7.234 -5.565 4.343 1.00 1.12 H new ATOM 0 HG LEU A 41 -5.399 -4.822 6.647 1.00 63.21 H new ATOM 0 HD11 LEU A 41 -6.609 -2.669 6.613 1.00 20.13 H new ATOM 0 HD12 LEU A 41 -5.742 -2.965 5.088 1.00 20.13 H new ATOM 0 HD13 LEU A 41 -7.504 -3.201 5.170 1.00 20.13 H new ATOM 0 HD21 LEU A 41 -7.480 -4.561 7.950 1.00 72.25 H new ATOM 0 HD22 LEU A 41 -8.417 -5.177 6.568 1.00 72.25 H new ATOM 0 HD23 LEU A 41 -7.251 -6.237 7.397 1.00 72.25 H new ATOM 697 N MET A 42 -4.973 -8.441 3.347 1.00 51.55 N ATOM 698 CA MET A 42 -4.922 -9.113 2.037 1.00 1.32 C ATOM 699 C MET A 42 -4.737 -10.638 2.161 1.00 31.25 C ATOM 700 O MET A 42 -3.608 -11.132 2.183 1.00 60.32 O ATOM 701 CB MET A 42 -3.778 -8.534 1.191 1.00 41.42 C ATOM 702 CG MET A 42 -3.834 -7.021 1.017 1.00 12.52 C ATOM 703 SD MET A 42 -2.514 -6.400 -0.048 1.00 63.23 S ATOM 704 CE MET A 42 -2.955 -7.158 -1.610 1.00 35.33 C ATOM 0 H MET A 42 -4.081 -8.413 3.840 1.00 51.55 H new ATOM 0 HA MET A 42 -5.882 -8.932 1.553 1.00 1.32 H new ATOM 0 HB2 MET A 42 -2.828 -8.800 1.654 1.00 41.42 H new ATOM 0 HB3 MET A 42 -3.796 -9.003 0.207 1.00 41.42 H new ATOM 0 HG2 MET A 42 -4.799 -6.742 0.594 1.00 12.52 H new ATOM 0 HG3 MET A 42 -3.764 -6.543 1.994 1.00 12.52 H new ATOM 0 HE1 MET A 42 -2.643 -6.510 -2.430 1.00 35.33 H new ATOM 0 HE2 MET A 42 -2.456 -8.123 -1.700 1.00 35.33 H new ATOM 0 HE3 MET A 42 -4.035 -7.303 -1.652 1.00 35.33 H new ATOM 714 N PRO A 43 -5.843 -11.407 2.245 1.00 11.42 N ATOM 715 CA PRO A 43 -5.789 -12.875 2.268 1.00 2.14 C ATOM 716 C PRO A 43 -5.763 -13.494 0.856 1.00 53.22 C ATOM 717 O PRO A 43 -6.504 -13.072 -0.036 1.00 70.13 O ATOM 718 CB PRO A 43 -7.087 -13.234 2.996 1.00 53.11 C ATOM 719 CG PRO A 43 -8.051 -12.167 2.588 1.00 72.24 C ATOM 720 CD PRO A 43 -7.233 -10.915 2.357 1.00 52.11 C ATOM 0 HA PRO A 43 -4.884 -13.254 2.743 1.00 2.14 H new ATOM 0 HB2 PRO A 43 -7.444 -14.223 2.708 1.00 53.11 H new ATOM 0 HB3 PRO A 43 -6.945 -13.249 4.077 1.00 53.11 H new ATOM 0 HG2 PRO A 43 -8.586 -12.453 1.683 1.00 72.24 H new ATOM 0 HG3 PRO A 43 -8.800 -12.004 3.363 1.00 72.24 H new ATOM 0 HD2 PRO A 43 -7.546 -10.396 1.451 1.00 52.11 H new ATOM 0 HD3 PRO A 43 -7.341 -10.211 3.182 1.00 52.11 H new ATOM 728 N GLY A 44 -4.906 -14.496 0.654 1.00 22.12 N ATOM 729 CA GLY A 44 -4.821 -15.175 -0.640 1.00 72.34 C ATOM 730 C GLY A 44 -4.041 -14.396 -1.708 1.00 45.25 C ATOM 731 O GLY A 44 -3.105 -14.935 -2.309 1.00 51.13 O ATOM 0 H GLY A 44 -4.266 -14.853 1.363 1.00 22.12 H new ATOM 0 HA2 GLY A 44 -4.349 -16.147 -0.498 1.00 72.34 H new ATOM 0 HA3 GLY A 44 -5.830 -15.362 -1.007 1.00 72.34 H new ATOM 735 N ALA A 45 -4.429 -13.131 -1.922 1.00 31.43 N ATOM 736 CA ALA A 45 -3.867 -12.267 -2.983 1.00 43.11 C ATOM 737 C ALA A 45 -2.337 -12.368 -3.123 1.00 35.13 C ATOM 738 O ALA A 45 -1.611 -12.433 -2.126 1.00 10.01 O ATOM 739 CB ALA A 45 -4.265 -10.819 -2.723 1.00 1.25 C ATOM 0 H ALA A 45 -5.147 -12.670 -1.362 1.00 31.43 H new ATOM 0 HA ALA A 45 -4.284 -12.622 -3.925 1.00 43.11 H new ATOM 0 HB1 ALA A 45 -3.851 -10.182 -3.505 1.00 1.25 H new ATOM 0 HB2 ALA A 45 -5.352 -10.735 -2.724 1.00 1.25 H new ATOM 0 HB3 ALA A 45 -3.877 -10.503 -1.754 1.00 1.25 H new ATOM 745 N SER A 46 -1.860 -12.350 -4.369 1.00 31.53 N ATOM 746 CA SER A 46 -0.424 -12.481 -4.671 1.00 21.35 C ATOM 747 C SER A 46 0.272 -11.112 -4.749 1.00 31.34 C ATOM 748 O SER A 46 -0.349 -10.065 -4.532 1.00 52.30 O ATOM 749 CB SER A 46 -0.219 -13.234 -5.996 1.00 43.41 C ATOM 750 OG SER A 46 -0.679 -12.479 -7.112 1.00 32.15 O ATOM 0 H SER A 46 -2.449 -12.245 -5.195 1.00 31.53 H new ATOM 0 HA SER A 46 0.025 -13.046 -3.854 1.00 21.35 H new ATOM 0 HB2 SER A 46 0.839 -13.463 -6.124 1.00 43.41 H new ATOM 0 HB3 SER A 46 -0.749 -14.186 -5.958 1.00 43.41 H new ATOM 0 HG SER A 46 -1.579 -12.138 -6.928 1.00 32.15 H new ATOM 756 N GLY A 47 1.566 -11.131 -5.077 1.00 20.14 N ATOM 757 CA GLY A 47 2.359 -9.906 -5.144 1.00 34.22 C ATOM 758 C GLY A 47 1.899 -8.934 -6.228 1.00 70.43 C ATOM 759 O GLY A 47 2.051 -7.722 -6.082 1.00 62.54 O ATOM 0 H GLY A 47 2.084 -11.981 -5.300 1.00 20.14 H new ATOM 0 HA2 GLY A 47 2.318 -9.404 -4.177 1.00 34.22 H new ATOM 0 HA3 GLY A 47 3.402 -10.168 -5.323 1.00 34.22 H new ATOM 763 N ALA A 48 1.344 -9.463 -7.317 1.00 20.23 N ATOM 764 CA ALA A 48 0.818 -8.623 -8.401 1.00 41.02 C ATOM 765 C ALA A 48 -0.262 -7.657 -7.887 1.00 73.44 C ATOM 766 O ALA A 48 -0.223 -6.453 -8.165 1.00 12.21 O ATOM 767 CB ALA A 48 0.269 -9.495 -9.526 1.00 62.15 C ATOM 0 H ALA A 48 1.245 -10.466 -7.476 1.00 20.23 H new ATOM 0 HA ALA A 48 1.639 -8.022 -8.792 1.00 41.02 H new ATOM 0 HB1 ALA A 48 -0.118 -8.860 -10.323 1.00 62.15 H new ATOM 0 HB2 ALA A 48 1.066 -10.126 -9.919 1.00 62.15 H new ATOM 0 HB3 ALA A 48 -0.534 -10.123 -9.141 1.00 62.15 H new ATOM 773 N GLU A 49 -1.211 -8.191 -7.116 1.00 51.03 N ATOM 774 CA GLU A 49 -2.248 -7.369 -6.480 1.00 11.44 C ATOM 775 C GLU A 49 -1.623 -6.374 -5.490 1.00 34.04 C ATOM 776 O GLU A 49 -2.068 -5.230 -5.376 1.00 61.35 O ATOM 777 CB GLU A 49 -3.286 -8.247 -5.754 1.00 40.44 C ATOM 778 CG GLU A 49 -4.158 -9.101 -6.677 1.00 31.12 C ATOM 779 CD GLU A 49 -3.411 -10.258 -7.326 1.00 43.52 C ATOM 780 OE1 GLU A 49 -3.335 -11.342 -6.711 1.00 52.13 O ATOM 781 OE2 GLU A 49 -2.903 -10.095 -8.456 1.00 73.30 O ATOM 0 H GLU A 49 -1.285 -9.188 -6.916 1.00 51.03 H new ATOM 0 HA GLU A 49 -2.756 -6.812 -7.268 1.00 11.44 H new ATOM 0 HB2 GLU A 49 -2.763 -8.905 -5.059 1.00 40.44 H new ATOM 0 HB3 GLU A 49 -3.933 -7.603 -5.158 1.00 40.44 H new ATOM 0 HG2 GLU A 49 -4.997 -9.497 -6.105 1.00 31.12 H new ATOM 0 HG3 GLU A 49 -4.576 -8.466 -7.458 1.00 31.12 H new ATOM 788 N VAL A 50 -0.588 -6.819 -4.779 1.00 51.24 N ATOM 789 CA VAL A 50 0.131 -5.958 -3.832 1.00 51.13 C ATOM 790 C VAL A 50 0.775 -4.749 -4.535 1.00 74.42 C ATOM 791 O VAL A 50 0.735 -3.623 -4.027 1.00 63.45 O ATOM 792 CB VAL A 50 1.222 -6.745 -3.068 1.00 24.24 C ATOM 793 CG1 VAL A 50 1.995 -5.826 -2.128 1.00 3.11 C ATOM 794 CG2 VAL A 50 0.611 -7.914 -2.295 1.00 73.05 C ATOM 0 H VAL A 50 -0.226 -7.771 -4.839 1.00 51.24 H new ATOM 0 HA VAL A 50 -0.611 -5.595 -3.121 1.00 51.13 H new ATOM 0 HB VAL A 50 1.920 -7.150 -3.801 1.00 24.24 H new ATOM 0 HG11 VAL A 50 2.757 -6.401 -1.602 1.00 3.11 H new ATOM 0 HG12 VAL A 50 2.473 -5.034 -2.705 1.00 3.11 H new ATOM 0 HG13 VAL A 50 1.309 -5.385 -1.405 1.00 3.11 H new ATOM 0 HG21 VAL A 50 1.398 -8.452 -1.766 1.00 73.05 H new ATOM 0 HG22 VAL A 50 -0.115 -7.535 -1.576 1.00 73.05 H new ATOM 0 HG23 VAL A 50 0.114 -8.590 -2.991 1.00 73.05 H new ATOM 804 N LYS A 51 1.370 -4.987 -5.705 1.00 31.12 N ATOM 805 CA LYS A 51 1.944 -3.904 -6.512 1.00 71.14 C ATOM 806 C LYS A 51 0.832 -2.919 -6.911 1.00 34.32 C ATOM 807 O LYS A 51 1.023 -1.699 -6.885 1.00 53.25 O ATOM 808 CB LYS A 51 2.644 -4.475 -7.764 1.00 51.10 C ATOM 809 CG LYS A 51 3.836 -3.649 -8.268 1.00 52.01 C ATOM 810 CD LYS A 51 3.443 -2.258 -8.773 1.00 62.21 C ATOM 811 CE LYS A 51 2.561 -2.321 -10.016 1.00 71.22 C ATOM 812 NZ LYS A 51 2.178 -0.965 -10.496 1.00 64.25 N ATOM 0 H LYS A 51 1.468 -5.916 -6.115 1.00 31.12 H new ATOM 0 HA LYS A 51 2.692 -3.374 -5.922 1.00 71.14 H new ATOM 0 HB2 LYS A 51 2.988 -5.485 -7.542 1.00 51.10 H new ATOM 0 HB3 LYS A 51 1.911 -4.557 -8.567 1.00 51.10 H new ATOM 0 HG2 LYS A 51 4.562 -3.543 -7.462 1.00 52.01 H new ATOM 0 HG3 LYS A 51 4.331 -4.193 -9.073 1.00 52.01 H new ATOM 0 HD2 LYS A 51 2.916 -1.723 -7.983 1.00 62.21 H new ATOM 0 HD3 LYS A 51 4.344 -1.688 -8.998 1.00 62.21 H new ATOM 0 HE2 LYS A 51 3.089 -2.851 -10.809 1.00 71.22 H new ATOM 0 HE3 LYS A 51 1.661 -2.895 -9.794 1.00 71.22 H new ATOM 0 HZ1 LYS A 51 1.680 -1.046 -11.406 1.00 64.25 H new ATOM 0 HZ2 LYS A 51 1.553 -0.514 -9.798 1.00 64.25 H new ATOM 0 HZ3 LYS A 51 3.033 -0.386 -10.620 1.00 64.25 H new ATOM 826 N GLY A 52 -0.335 -3.465 -7.267 1.00 31.45 N ATOM 827 CA GLY A 52 -1.499 -2.636 -7.561 1.00 22.02 C ATOM 828 C GLY A 52 -1.881 -1.732 -6.393 1.00 54.02 C ATOM 829 O GLY A 52 -2.149 -0.547 -6.581 1.00 73.04 O ATOM 0 H GLY A 52 -0.494 -4.468 -7.357 1.00 31.45 H new ATOM 0 HA2 GLY A 52 -1.293 -2.023 -8.438 1.00 22.02 H new ATOM 0 HA3 GLY A 52 -2.344 -3.277 -7.812 1.00 22.02 H new ATOM 833 N VAL A 53 -1.888 -2.293 -5.182 1.00 20.13 N ATOM 834 CA VAL A 53 -2.168 -1.523 -3.965 1.00 12.03 C ATOM 835 C VAL A 53 -1.189 -0.345 -3.809 1.00 62.15 C ATOM 836 O VAL A 53 -1.593 0.776 -3.496 1.00 55.25 O ATOM 837 CB VAL A 53 -2.091 -2.423 -2.703 1.00 21.12 C ATOM 838 CG1 VAL A 53 -2.276 -1.603 -1.424 1.00 61.44 C ATOM 839 CG2 VAL A 53 -3.125 -3.545 -2.778 1.00 73.33 C ATOM 0 H VAL A 53 -1.702 -3.282 -5.016 1.00 20.13 H new ATOM 0 HA VAL A 53 -3.180 -1.131 -4.063 1.00 12.03 H new ATOM 0 HB VAL A 53 -1.097 -2.870 -2.672 1.00 21.12 H new ATOM 0 HG11 VAL A 53 -2.217 -2.262 -0.558 1.00 61.44 H new ATOM 0 HG12 VAL A 53 -1.493 -0.848 -1.360 1.00 61.44 H new ATOM 0 HG13 VAL A 53 -3.250 -1.115 -1.443 1.00 61.44 H new ATOM 0 HG21 VAL A 53 -3.055 -4.165 -1.884 1.00 73.33 H new ATOM 0 HG22 VAL A 53 -4.124 -3.115 -2.844 1.00 73.33 H new ATOM 0 HG23 VAL A 53 -2.935 -4.157 -3.660 1.00 73.33 H new ATOM 849 N CYS A 54 0.098 -0.610 -4.047 1.00 5.32 N ATOM 850 CA CYS A 54 1.140 0.428 -3.961 1.00 74.31 C ATOM 851 C CYS A 54 0.864 1.581 -4.938 1.00 21.13 C ATOM 852 O CYS A 54 1.015 2.754 -4.592 1.00 30.11 O ATOM 853 CB CYS A 54 2.523 -0.177 -4.246 1.00 32.45 C ATOM 854 SG CYS A 54 2.992 -1.518 -3.124 1.00 24.14 S ATOM 0 H CYS A 54 0.448 -1.534 -4.301 1.00 5.32 H new ATOM 0 HA CYS A 54 1.125 0.829 -2.947 1.00 74.31 H new ATOM 0 HB2 CYS A 54 2.539 -0.552 -5.269 1.00 32.45 H new ATOM 0 HB3 CYS A 54 3.272 0.612 -4.184 1.00 32.45 H new ATOM 0 HG CYS A 54 2.208 -2.537 -3.314 1.00 24.14 H new ATOM 860 N THR A 55 0.460 1.237 -6.160 1.00 10.01 N ATOM 861 CA THR A 55 0.111 2.238 -7.179 1.00 10.14 C ATOM 862 C THR A 55 -1.156 3.018 -6.799 1.00 71.44 C ATOM 863 O THR A 55 -1.177 4.252 -6.824 1.00 53.42 O ATOM 864 CB THR A 55 -0.106 1.580 -8.567 1.00 1.40 C ATOM 865 OG1 THR A 55 1.118 0.985 -9.031 1.00 1.53 O ATOM 866 CG2 THR A 55 -0.602 2.598 -9.595 1.00 35.13 C ATOM 0 H THR A 55 0.365 0.271 -6.473 1.00 10.01 H new ATOM 0 HA THR A 55 0.953 2.929 -7.232 1.00 10.14 H new ATOM 0 HB THR A 55 -0.867 0.808 -8.453 1.00 1.40 H new ATOM 0 HG1 THR A 55 1.561 0.525 -8.287 1.00 1.53 H new ATOM 0 HG21 THR A 55 -0.744 2.105 -10.556 1.00 35.13 H new ATOM 0 HG22 THR A 55 -1.549 3.021 -9.261 1.00 35.13 H new ATOM 0 HG23 THR A 55 0.133 3.395 -9.702 1.00 35.13 H new ATOM 874 N GLU A 56 -2.209 2.287 -6.444 1.00 0.21 N ATOM 875 CA GLU A 56 -3.498 2.895 -6.089 1.00 62.31 C ATOM 876 C GLU A 56 -3.377 3.821 -4.869 1.00 42.45 C ATOM 877 O GLU A 56 -4.062 4.844 -4.791 1.00 63.01 O ATOM 878 CB GLU A 56 -4.548 1.802 -5.837 1.00 1.34 C ATOM 879 CG GLU A 56 -4.862 0.948 -7.069 1.00 23.04 C ATOM 880 CD GLU A 56 -5.717 1.666 -8.110 1.00 3.43 C ATOM 881 OE1 GLU A 56 -5.442 2.842 -8.428 1.00 62.43 O ATOM 882 OE2 GLU A 56 -6.678 1.055 -8.618 1.00 0.44 O ATOM 0 H GLU A 56 -2.199 1.268 -6.393 1.00 0.21 H new ATOM 0 HA GLU A 56 -3.819 3.509 -6.931 1.00 62.31 H new ATOM 0 HB2 GLU A 56 -4.196 1.152 -5.036 1.00 1.34 H new ATOM 0 HB3 GLU A 56 -5.468 2.270 -5.487 1.00 1.34 H new ATOM 0 HG2 GLU A 56 -3.926 0.636 -7.533 1.00 23.04 H new ATOM 0 HG3 GLU A 56 -5.377 0.042 -6.751 1.00 23.04 H new ATOM 889 N ALA A 57 -2.497 3.466 -3.931 1.00 11.33 N ATOM 890 CA ALA A 57 -2.234 4.308 -2.756 1.00 34.11 C ATOM 891 C ALA A 57 -1.782 5.718 -3.171 1.00 73.53 C ATOM 892 O ALA A 57 -2.293 6.722 -2.670 1.00 50.44 O ATOM 893 CB ALA A 57 -1.183 3.654 -1.864 1.00 63.41 C ATOM 0 H ALA A 57 -1.954 2.603 -3.959 1.00 11.33 H new ATOM 0 HA ALA A 57 -3.163 4.406 -2.195 1.00 34.11 H new ATOM 0 HB1 ALA A 57 -0.997 4.287 -0.997 1.00 63.41 H new ATOM 0 HB2 ALA A 57 -1.543 2.680 -1.532 1.00 63.41 H new ATOM 0 HB3 ALA A 57 -0.258 3.526 -2.426 1.00 63.41 H new ATOM 899 N GLY A 58 -0.835 5.785 -4.109 1.00 50.04 N ATOM 900 CA GLY A 58 -0.387 7.072 -4.631 1.00 45.42 C ATOM 901 C GLY A 58 -1.512 7.856 -5.307 1.00 35.11 C ATOM 902 O GLY A 58 -1.560 9.084 -5.232 1.00 2.12 O ATOM 0 H GLY A 58 -0.370 4.974 -4.517 1.00 50.04 H new ATOM 0 HA2 GLY A 58 0.026 7.666 -3.816 1.00 45.42 H new ATOM 0 HA3 GLY A 58 0.418 6.909 -5.347 1.00 45.42 H new ATOM 906 N MET A 59 -2.423 7.137 -5.966 1.00 10.45 N ATOM 907 CA MET A 59 -3.601 7.752 -6.588 1.00 61.35 C ATOM 908 C MET A 59 -4.489 8.421 -5.522 1.00 21.20 C ATOM 909 O MET A 59 -4.957 9.549 -5.702 1.00 10.23 O ATOM 910 CB MET A 59 -4.403 6.690 -7.357 1.00 15.12 C ATOM 911 CG MET A 59 -3.600 5.925 -8.412 1.00 13.31 C ATOM 912 SD MET A 59 -3.661 6.676 -10.061 1.00 54.45 S ATOM 913 CE MET A 59 -2.785 8.221 -9.813 1.00 21.34 C ATOM 0 H MET A 59 -2.369 6.125 -6.084 1.00 10.45 H new ATOM 0 HA MET A 59 -3.266 8.519 -7.287 1.00 61.35 H new ATOM 0 HB2 MET A 59 -4.813 5.976 -6.643 1.00 15.12 H new ATOM 0 HB3 MET A 59 -5.249 7.175 -7.844 1.00 15.12 H new ATOM 0 HG2 MET A 59 -2.561 5.862 -8.089 1.00 13.31 H new ATOM 0 HG3 MET A 59 -3.977 4.904 -8.473 1.00 13.31 H new ATOM 0 HE1 MET A 59 -2.321 8.530 -10.749 1.00 21.34 H new ATOM 0 HE2 MET A 59 -3.486 8.988 -9.485 1.00 21.34 H new ATOM 0 HE3 MET A 59 -2.015 8.085 -9.054 1.00 21.34 H new ATOM 923 N TYR A 60 -4.698 7.717 -4.404 1.00 0.40 N ATOM 924 CA TYR A 60 -5.468 8.260 -3.274 1.00 51.23 C ATOM 925 C TYR A 60 -4.771 9.479 -2.652 1.00 22.11 C ATOM 926 O TYR A 60 -5.428 10.413 -2.183 1.00 23.34 O ATOM 927 CB TYR A 60 -5.701 7.186 -2.199 1.00 12.43 C ATOM 928 CG TYR A 60 -6.777 6.177 -2.558 1.00 73.33 C ATOM 929 CD1 TYR A 60 -8.123 6.525 -2.502 1.00 34.35 C ATOM 930 CD2 TYR A 60 -6.453 4.884 -2.949 1.00 63.04 C ATOM 931 CE1 TYR A 60 -9.110 5.613 -2.821 1.00 31.35 C ATOM 932 CE2 TYR A 60 -7.436 3.966 -3.269 1.00 44.44 C ATOM 933 CZ TYR A 60 -8.763 4.337 -3.204 1.00 24.31 C ATOM 934 OH TYR A 60 -9.745 3.425 -3.514 1.00 73.31 O ATOM 0 H TYR A 60 -4.346 6.771 -4.255 1.00 0.40 H new ATOM 0 HA TYR A 60 -6.433 8.580 -3.667 1.00 51.23 H new ATOM 0 HB2 TYR A 60 -4.765 6.656 -2.020 1.00 12.43 H new ATOM 0 HB3 TYR A 60 -5.974 7.675 -1.264 1.00 12.43 H new ATOM 0 HD1 TYR A 60 -8.401 7.525 -2.204 1.00 34.35 H new ATOM 0 HD2 TYR A 60 -5.415 4.591 -3.004 1.00 63.04 H new ATOM 0 HE1 TYR A 60 -10.150 5.900 -2.770 1.00 31.35 H new ATOM 0 HE2 TYR A 60 -7.166 2.964 -3.568 1.00 44.44 H new ATOM 0 HH TYR A 60 -10.526 3.895 -3.875 1.00 73.31 H new ATOM 944 N ALA A 61 -3.446 9.468 -2.651 1.00 34.44 N ATOM 945 CA ALA A 61 -2.672 10.612 -2.170 1.00 54.33 C ATOM 946 C ALA A 61 -2.864 11.843 -3.073 1.00 73.41 C ATOM 947 O ALA A 61 -3.163 12.938 -2.595 1.00 54.43 O ATOM 948 CB ALA A 61 -1.195 10.240 -2.069 1.00 21.21 C ATOM 0 H ALA A 61 -2.882 8.683 -2.976 1.00 34.44 H new ATOM 0 HA ALA A 61 -3.038 10.876 -1.178 1.00 54.33 H new ATOM 0 HB1 ALA A 61 -0.627 11.098 -1.710 1.00 21.21 H new ATOM 0 HB2 ALA A 61 -1.076 9.409 -1.373 1.00 21.21 H new ATOM 0 HB3 ALA A 61 -0.826 9.946 -3.052 1.00 21.21 H new ATOM 954 N LEU A 62 -2.718 11.647 -4.384 1.00 73.22 N ATOM 955 CA LEU A 62 -2.812 12.746 -5.358 1.00 73.10 C ATOM 956 C LEU A 62 -4.157 13.496 -5.285 1.00 62.11 C ATOM 957 O LEU A 62 -4.190 14.730 -5.327 1.00 11.10 O ATOM 958 CB LEU A 62 -2.575 12.215 -6.778 1.00 3.12 C ATOM 959 CG LEU A 62 -1.164 11.654 -7.037 1.00 64.44 C ATOM 960 CD1 LEU A 62 -1.043 11.133 -8.466 1.00 2.43 C ATOM 961 CD2 LEU A 62 -0.099 12.713 -6.755 1.00 61.35 C ATOM 0 H LEU A 62 -2.533 10.735 -4.802 1.00 73.22 H new ATOM 0 HA LEU A 62 -2.035 13.466 -5.101 1.00 73.10 H new ATOM 0 HB2 LEU A 62 -3.304 11.431 -6.983 1.00 3.12 H new ATOM 0 HB3 LEU A 62 -2.765 13.021 -7.487 1.00 3.12 H new ATOM 0 HG LEU A 62 -1.001 10.819 -6.356 1.00 64.44 H new ATOM 0 HD11 LEU A 62 -0.038 10.742 -8.627 1.00 2.43 H new ATOM 0 HD12 LEU A 62 -1.772 10.339 -8.627 1.00 2.43 H new ATOM 0 HD13 LEU A 62 -1.232 11.946 -9.167 1.00 2.43 H new ATOM 0 HD21 LEU A 62 0.889 12.294 -6.945 1.00 61.35 H new ATOM 0 HD22 LEU A 62 -0.260 13.573 -7.405 1.00 61.35 H new ATOM 0 HD23 LEU A 62 -0.166 13.028 -5.714 1.00 61.35 H new ATOM 973 N ARG A 63 -5.265 12.764 -5.171 1.00 14.43 N ATOM 974 CA ARG A 63 -6.589 13.404 -5.068 1.00 34.05 C ATOM 975 C ARG A 63 -6.693 14.315 -3.827 1.00 40.31 C ATOM 976 O ARG A 63 -7.369 15.344 -3.861 1.00 54.22 O ATOM 977 CB ARG A 63 -7.718 12.359 -5.067 1.00 51.04 C ATOM 978 CG ARG A 63 -7.430 11.133 -4.214 1.00 30.22 C ATOM 979 CD ARG A 63 -8.692 10.347 -3.887 1.00 2.42 C ATOM 980 NE ARG A 63 -9.502 11.034 -2.887 1.00 30.54 N ATOM 981 CZ ARG A 63 -9.391 10.842 -1.602 1.00 23.43 C ATOM 982 NH1 ARG A 63 -8.533 9.993 -1.133 1.00 44.14 N ATOM 983 NH2 ARG A 63 -10.131 11.513 -0.788 1.00 74.02 N ATOM 0 H ARG A 63 -5.281 11.744 -5.147 1.00 14.43 H new ATOM 0 HA ARG A 63 -6.705 14.032 -5.951 1.00 34.05 H new ATOM 0 HB2 ARG A 63 -8.634 12.830 -4.710 1.00 51.04 H new ATOM 0 HB3 ARG A 63 -7.903 12.039 -6.092 1.00 51.04 H new ATOM 0 HG2 ARG A 63 -6.727 10.486 -4.738 1.00 30.22 H new ATOM 0 HG3 ARG A 63 -6.947 11.443 -3.287 1.00 30.22 H new ATOM 0 HD2 ARG A 63 -9.278 10.202 -4.795 1.00 2.42 H new ATOM 0 HD3 ARG A 63 -8.421 9.357 -3.521 1.00 2.42 H new ATOM 0 HE ARG A 63 -10.197 11.705 -3.213 1.00 30.54 H new ATOM 0 HH11 ARG A 63 -7.936 9.467 -1.771 1.00 44.14 H new ATOM 0 HH12 ARG A 63 -8.455 9.851 -0.126 1.00 44.14 H new ATOM 0 HH21 ARG A 63 -10.801 12.192 -1.149 1.00 74.02 H new ATOM 0 HH22 ARG A 63 -10.047 11.365 0.218 1.00 74.02 H new ATOM 997 N GLU A 64 -6.017 13.947 -2.736 1.00 44.24 N ATOM 998 CA GLU A 64 -5.962 14.803 -1.536 1.00 0.44 C ATOM 999 C GLU A 64 -4.674 15.652 -1.500 1.00 63.11 C ATOM 1000 O GLU A 64 -4.346 16.254 -0.474 1.00 43.43 O ATOM 1001 CB GLU A 64 -6.077 13.964 -0.247 1.00 64.50 C ATOM 1002 CG GLU A 64 -7.482 13.421 0.024 1.00 11.00 C ATOM 1003 CD GLU A 64 -7.675 12.928 1.457 1.00 62.15 C ATOM 1004 OE1 GLU A 64 -7.099 13.540 2.386 1.00 72.30 O ATOM 1005 OE2 GLU A 64 -8.419 11.944 1.666 1.00 61.31 O ATOM 0 H GLU A 64 -5.502 13.070 -2.653 1.00 44.24 H new ATOM 0 HA GLU A 64 -6.815 15.480 -1.590 1.00 0.44 H new ATOM 0 HB2 GLU A 64 -5.382 13.127 -0.308 1.00 64.50 H new ATOM 0 HB3 GLU A 64 -5.766 14.575 0.600 1.00 64.50 H new ATOM 0 HG2 GLU A 64 -8.212 14.203 -0.185 1.00 11.00 H new ATOM 0 HG3 GLU A 64 -7.686 12.601 -0.665 1.00 11.00 H new ATOM 1012 N ARG A 65 -3.959 15.702 -2.631 1.00 74.54 N ATOM 1013 CA ARG A 65 -2.710 16.480 -2.766 1.00 34.00 C ATOM 1014 C ARG A 65 -1.663 16.086 -1.706 1.00 72.24 C ATOM 1015 O ARG A 65 -0.758 16.862 -1.393 1.00 73.35 O ATOM 1016 CB ARG A 65 -2.985 17.998 -2.701 1.00 13.00 C ATOM 1017 CG ARG A 65 -3.861 18.534 -3.836 1.00 41.53 C ATOM 1018 CD ARG A 65 -5.340 18.224 -3.620 1.00 75.31 C ATOM 1019 NE ARG A 65 -6.170 18.654 -4.745 1.00 42.11 N ATOM 1020 CZ ARG A 65 -7.189 19.465 -4.641 1.00 21.20 C ATOM 1021 NH1 ARG A 65 -7.452 20.051 -3.518 1.00 21.13 N ATOM 1022 NH2 ARG A 65 -7.923 19.714 -5.674 1.00 51.21 N ATOM 0 H ARG A 65 -4.226 15.206 -3.481 1.00 74.54 H new ATOM 0 HA ARG A 65 -2.299 16.240 -3.747 1.00 34.00 H new ATOM 0 HB2 ARG A 65 -3.465 18.227 -1.750 1.00 13.00 H new ATOM 0 HB3 ARG A 65 -2.032 18.528 -2.713 1.00 13.00 H new ATOM 0 HG2 ARG A 65 -3.726 19.612 -3.918 1.00 41.53 H new ATOM 0 HG3 ARG A 65 -3.535 18.099 -4.781 1.00 41.53 H new ATOM 0 HD2 ARG A 65 -5.465 17.152 -3.468 1.00 75.31 H new ATOM 0 HD3 ARG A 65 -5.683 18.717 -2.710 1.00 75.31 H new ATOM 0 HE ARG A 65 -5.938 18.297 -5.672 1.00 42.11 H new ATOM 0 HH11 ARG A 65 -6.861 19.882 -2.704 1.00 21.13 H new ATOM 0 HH12 ARG A 65 -8.250 20.682 -3.447 1.00 21.13 H new ATOM 0 HH21 ARG A 65 -7.707 19.278 -6.570 1.00 51.21 H new ATOM 0 HH22 ARG A 65 -8.719 20.347 -5.594 1.00 51.21 H new ATOM 1036 N ARG A 66 -1.780 14.869 -1.185 1.00 73.53 N ATOM 1037 CA ARG A 66 -0.853 14.353 -0.172 1.00 65.43 C ATOM 1038 C ARG A 66 0.550 14.136 -0.758 1.00 42.13 C ATOM 1039 O ARG A 66 0.726 13.351 -1.689 1.00 30.22 O ATOM 1040 CB ARG A 66 -1.376 13.023 0.396 1.00 23.42 C ATOM 1041 CG ARG A 66 -2.727 13.123 1.098 1.00 55.45 C ATOM 1042 CD ARG A 66 -3.218 11.755 1.570 1.00 31.30 C ATOM 1043 NE ARG A 66 -4.416 11.857 2.402 1.00 23.31 N ATOM 1044 CZ ARG A 66 -4.873 10.892 3.157 1.00 10.41 C ATOM 1045 NH1 ARG A 66 -4.343 9.709 3.126 1.00 62.32 N ATOM 1046 NH2 ARG A 66 -5.893 11.103 3.915 1.00 41.53 N ATOM 0 H ARG A 66 -2.515 14.212 -1.448 1.00 73.53 H new ATOM 0 HA ARG A 66 -0.787 15.094 0.624 1.00 65.43 H new ATOM 0 HB2 ARG A 66 -1.456 12.301 -0.417 1.00 23.42 H new ATOM 0 HB3 ARG A 66 -0.643 12.630 1.100 1.00 23.42 H new ATOM 0 HG2 ARG A 66 -2.645 13.795 1.952 1.00 55.45 H new ATOM 0 HG3 ARG A 66 -3.460 13.559 0.418 1.00 55.45 H new ATOM 0 HD2 ARG A 66 -3.431 11.128 0.704 1.00 31.30 H new ATOM 0 HD3 ARG A 66 -2.427 11.261 2.134 1.00 31.30 H new ATOM 0 HE ARG A 66 -4.929 12.739 2.393 1.00 23.31 H new ATOM 0 HH11 ARG A 66 -3.556 9.519 2.505 1.00 62.32 H new ATOM 0 HH12 ARG A 66 -4.713 8.969 3.722 1.00 62.32 H new ATOM 0 HH21 ARG A 66 -6.340 12.020 3.924 1.00 41.53 H new ATOM 0 HH22 ARG A 66 -6.253 10.353 4.506 1.00 41.53 H new ATOM 1060 N VAL A 67 1.543 14.840 -0.220 1.00 33.13 N ATOM 1061 CA VAL A 67 2.934 14.629 -0.626 1.00 0.52 C ATOM 1062 C VAL A 67 3.528 13.411 0.100 1.00 32.23 C ATOM 1063 O VAL A 67 4.279 12.627 -0.488 1.00 35.24 O ATOM 1064 CB VAL A 67 3.808 15.880 -0.361 1.00 63.52 C ATOM 1065 CG1 VAL A 67 5.246 15.654 -0.827 1.00 4.34 C ATOM 1066 CG2 VAL A 67 3.204 17.109 -1.042 1.00 55.31 C ATOM 0 H VAL A 67 1.414 15.557 0.494 1.00 33.13 H new ATOM 0 HA VAL A 67 2.933 14.443 -1.700 1.00 0.52 H new ATOM 0 HB VAL A 67 3.829 16.057 0.714 1.00 63.52 H new ATOM 0 HG11 VAL A 67 5.837 16.548 -0.629 1.00 4.34 H new ATOM 0 HG12 VAL A 67 5.674 14.809 -0.288 1.00 4.34 H new ATOM 0 HG13 VAL A 67 5.253 15.444 -1.897 1.00 4.34 H new ATOM 0 HG21 VAL A 67 3.831 17.979 -0.845 1.00 55.31 H new ATOM 0 HG22 VAL A 67 3.147 16.938 -2.117 1.00 55.31 H new ATOM 0 HG23 VAL A 67 2.203 17.287 -0.650 1.00 55.31 H new ATOM 1076 N HIS A 68 3.184 13.251 1.383 1.00 63.52 N ATOM 1077 CA HIS A 68 3.593 12.063 2.140 1.00 53.24 C ATOM 1078 C HIS A 68 2.410 11.099 2.339 1.00 33.14 C ATOM 1079 O HIS A 68 1.392 11.447 2.942 1.00 22.12 O ATOM 1080 CB HIS A 68 4.236 12.444 3.489 1.00 52.45 C ATOM 1081 CG HIS A 68 3.329 13.135 4.465 1.00 3.14 C ATOM 1082 ND1 HIS A 68 2.504 12.638 5.418 1.00 75.13 N flip ATOM 1083 CD2 HIS A 68 3.234 14.502 4.565 1.00 3.22 C flip ATOM 1084 CE1 HIS A 68 1.943 13.706 6.068 1.00 1.45 C flip ATOM 1085 NE2 HIS A 68 2.402 14.817 5.535 1.00 33.02 N flip ATOM 0 H HIS A 68 2.629 13.922 1.914 1.00 63.52 H new ATOM 0 HA HIS A 68 4.352 11.545 1.553 1.00 53.24 H new ATOM 0 HB2 HIS A 68 4.621 11.538 3.957 1.00 52.45 H new ATOM 0 HB3 HIS A 68 5.091 13.091 3.294 1.00 52.45 H new ATOM 0 HD2 HIS A 68 3.761 15.210 3.943 1.00 3.22 H new ATOM 0 HE1 HIS A 68 1.239 13.645 6.885 1.00 1.45 H new ATOM 0 HE2 HIS A 68 2.155 15.763 5.824 1.00 33.02 H new ATOM 1094 N VAL A 69 2.556 9.889 1.809 1.00 72.15 N ATOM 1095 CA VAL A 69 1.506 8.869 1.863 1.00 71.42 C ATOM 1096 C VAL A 69 1.357 8.280 3.277 1.00 2.44 C ATOM 1097 O VAL A 69 2.343 8.090 4.000 1.00 3.42 O ATOM 1098 CB VAL A 69 1.800 7.723 0.857 1.00 10.10 C ATOM 1099 CG1 VAL A 69 0.664 6.700 0.838 1.00 64.22 C ATOM 1100 CG2 VAL A 69 2.050 8.283 -0.544 1.00 23.30 C ATOM 0 H VAL A 69 3.403 9.585 1.330 1.00 72.15 H new ATOM 0 HA VAL A 69 0.571 9.359 1.592 1.00 71.42 H new ATOM 0 HB VAL A 69 2.704 7.212 1.187 1.00 10.10 H new ATOM 0 HG11 VAL A 69 0.898 5.910 0.125 1.00 64.22 H new ATOM 0 HG12 VAL A 69 0.546 6.268 1.832 1.00 64.22 H new ATOM 0 HG13 VAL A 69 -0.263 7.191 0.544 1.00 64.22 H new ATOM 0 HG21 VAL A 69 2.254 7.463 -1.233 1.00 23.30 H new ATOM 0 HG22 VAL A 69 1.168 8.829 -0.880 1.00 23.30 H new ATOM 0 HG23 VAL A 69 2.906 8.957 -0.519 1.00 23.30 H new ATOM 1110 N THR A 70 0.117 7.994 3.666 1.00 60.44 N ATOM 1111 CA THR A 70 -0.176 7.409 4.980 1.00 62.43 C ATOM 1112 C THR A 70 -0.666 5.963 4.836 1.00 64.20 C ATOM 1113 O THR A 70 -0.655 5.398 3.744 1.00 65.12 O ATOM 1114 CB THR A 70 -1.260 8.221 5.733 1.00 70.44 C ATOM 1115 OG1 THR A 70 -2.536 8.050 5.097 1.00 75.53 O ATOM 1116 CG2 THR A 70 -0.908 9.706 5.775 1.00 2.10 C ATOM 0 H THR A 70 -0.708 8.158 3.089 1.00 60.44 H new ATOM 0 HA THR A 70 0.753 7.432 5.550 1.00 62.43 H new ATOM 0 HB THR A 70 -1.307 7.847 6.756 1.00 70.44 H new ATOM 0 HG1 THR A 70 -2.418 8.043 4.124 1.00 75.53 H new ATOM 0 HG21 THR A 70 -1.687 10.250 6.310 1.00 2.10 H new ATOM 0 HG22 THR A 70 0.045 9.840 6.287 1.00 2.10 H new ATOM 0 HG23 THR A 70 -0.830 10.090 4.758 1.00 2.10 H new ATOM 1124 N GLN A 71 -1.098 5.367 5.942 1.00 75.11 N ATOM 1125 CA GLN A 71 -1.666 4.016 5.912 1.00 53.20 C ATOM 1126 C GLN A 71 -3.041 4.010 5.217 1.00 23.45 C ATOM 1127 O GLN A 71 -3.403 3.039 4.544 1.00 74.21 O ATOM 1128 CB GLN A 71 -1.798 3.466 7.339 1.00 72.41 C ATOM 1129 CG GLN A 71 -2.668 2.220 7.438 1.00 4.33 C ATOM 1130 CD GLN A 71 -2.862 1.745 8.862 1.00 61.54 C ATOM 1131 OE1 GLN A 71 -3.748 2.212 9.565 1.00 75.45 O ATOM 1132 NE2 GLN A 71 -2.081 0.774 9.276 1.00 14.51 N ATOM 0 H GLN A 71 -1.068 5.792 6.869 1.00 75.11 H new ATOM 0 HA GLN A 71 -0.991 3.377 5.342 1.00 53.20 H new ATOM 0 HB2 GLN A 71 -0.804 3.236 7.723 1.00 72.41 H new ATOM 0 HB3 GLN A 71 -2.216 4.242 7.980 1.00 72.41 H new ATOM 0 HG2 GLN A 71 -3.642 2.427 6.994 1.00 4.33 H new ATOM 0 HG3 GLN A 71 -2.215 1.420 6.853 1.00 4.33 H new ATOM 0 HE21 GLN A 71 -1.352 0.409 8.663 1.00 14.51 H new ATOM 0 HE22 GLN A 71 -2.203 0.385 10.211 1.00 14.51 H new ATOM 1141 N GLU A 72 -3.791 5.106 5.377 1.00 1.20 N ATOM 1142 CA GLU A 72 -5.146 5.225 4.819 1.00 21.41 C ATOM 1143 C GLU A 72 -5.161 4.962 3.310 1.00 53.32 C ATOM 1144 O GLU A 72 -6.004 4.222 2.801 1.00 34.43 O ATOM 1145 CB GLU A 72 -5.717 6.622 5.090 1.00 70.13 C ATOM 1146 CG GLU A 72 -5.684 7.031 6.558 1.00 72.44 C ATOM 1147 CD GLU A 72 -6.319 8.389 6.800 1.00 71.12 C ATOM 1148 OE1 GLU A 72 -6.054 9.322 6.014 1.00 71.21 O ATOM 1149 OE2 GLU A 72 -7.073 8.533 7.785 1.00 24.43 O ATOM 0 H GLU A 72 -3.481 5.930 5.892 1.00 1.20 H new ATOM 0 HA GLU A 72 -5.763 4.472 5.309 1.00 21.41 H new ATOM 0 HB2 GLU A 72 -5.155 7.352 4.507 1.00 70.13 H new ATOM 0 HB3 GLU A 72 -6.748 6.657 4.737 1.00 70.13 H new ATOM 0 HG2 GLU A 72 -6.204 6.280 7.152 1.00 72.44 H new ATOM 0 HG3 GLU A 72 -4.650 7.051 6.903 1.00 72.44 H new ATOM 1156 N ASP A 73 -4.215 5.569 2.605 1.00 70.14 N ATOM 1157 CA ASP A 73 -4.115 5.423 1.154 1.00 62.54 C ATOM 1158 C ASP A 73 -3.944 3.944 0.750 1.00 73.22 C ATOM 1159 O ASP A 73 -4.574 3.470 -0.198 1.00 73.41 O ATOM 1160 CB ASP A 73 -2.940 6.258 0.643 1.00 50.20 C ATOM 1161 CG ASP A 73 -2.985 7.688 1.164 1.00 61.43 C ATOM 1162 OD1 ASP A 73 -3.592 8.550 0.504 1.00 13.44 O ATOM 1163 OD2 ASP A 73 -2.425 7.950 2.256 1.00 12.21 O ATOM 0 H ASP A 73 -3.501 6.171 3.015 1.00 70.14 H new ATOM 0 HA ASP A 73 -5.040 5.780 0.701 1.00 62.54 H new ATOM 0 HB2 ASP A 73 -2.004 5.791 0.948 1.00 50.20 H new ATOM 0 HB3 ASP A 73 -2.950 6.269 -0.447 1.00 50.20 H new ATOM 1168 N PHE A 74 -3.105 3.220 1.494 1.00 64.42 N ATOM 1169 CA PHE A 74 -2.857 1.795 1.233 1.00 71.43 C ATOM 1170 C PHE A 74 -4.096 0.927 1.511 1.00 41.13 C ATOM 1171 O PHE A 74 -4.484 0.116 0.673 1.00 62.21 O ATOM 1172 CB PHE A 74 -1.665 1.289 2.061 1.00 52.23 C ATOM 1173 CG PHE A 74 -0.325 1.774 1.565 1.00 21.23 C ATOM 1174 CD1 PHE A 74 0.364 1.065 0.590 1.00 3.12 C ATOM 1175 CD2 PHE A 74 0.251 2.929 2.076 1.00 5.22 C ATOM 1176 CE1 PHE A 74 1.592 1.503 0.130 1.00 73.21 C ATOM 1177 CE2 PHE A 74 1.478 3.370 1.619 1.00 23.04 C ATOM 1178 CZ PHE A 74 2.151 2.655 0.648 1.00 5.04 C ATOM 0 H PHE A 74 -2.583 3.596 2.285 1.00 64.42 H new ATOM 0 HA PHE A 74 -2.622 1.705 0.172 1.00 71.43 H new ATOM 0 HB2 PHE A 74 -1.794 1.605 3.096 1.00 52.23 H new ATOM 0 HB3 PHE A 74 -1.670 0.199 2.058 1.00 52.23 H new ATOM 0 HD1 PHE A 74 -0.065 0.160 0.186 1.00 3.12 H new ATOM 0 HD2 PHE A 74 -0.266 3.490 2.840 1.00 5.22 H new ATOM 0 HE1 PHE A 74 2.114 0.945 -0.634 1.00 73.21 H new ATOM 0 HE2 PHE A 74 1.911 4.274 2.021 1.00 23.04 H new ATOM 0 HZ PHE A 74 3.113 2.996 0.294 1.00 5.04 H new ATOM 1188 N GLU A 75 -4.724 1.091 2.679 1.00 43.34 N ATOM 1189 CA GLU A 75 -5.905 0.279 3.025 1.00 13.42 C ATOM 1190 C GLU A 75 -7.096 0.587 2.100 1.00 71.13 C ATOM 1191 O GLU A 75 -7.841 -0.316 1.708 1.00 64.12 O ATOM 1192 CB GLU A 75 -6.295 0.463 4.501 1.00 63.13 C ATOM 1193 CG GLU A 75 -6.572 1.904 4.913 1.00 53.11 C ATOM 1194 CD GLU A 75 -6.974 2.025 6.375 1.00 30.44 C ATOM 1195 OE1 GLU A 75 -8.182 1.927 6.678 1.00 45.22 O ATOM 1196 OE2 GLU A 75 -6.084 2.205 7.236 1.00 72.14 O ATOM 0 H GLU A 75 -4.445 1.764 3.392 1.00 43.34 H new ATOM 0 HA GLU A 75 -5.633 -0.766 2.876 1.00 13.42 H new ATOM 0 HB2 GLU A 75 -7.183 -0.136 4.705 1.00 63.13 H new ATOM 0 HB3 GLU A 75 -5.494 0.069 5.126 1.00 63.13 H new ATOM 0 HG2 GLU A 75 -5.682 2.507 4.733 1.00 53.11 H new ATOM 0 HG3 GLU A 75 -7.365 2.311 4.286 1.00 53.11 H new ATOM 1203 N MET A 76 -7.262 1.860 1.736 1.00 1.50 N ATOM 1204 CA MET A 76 -8.264 2.255 0.736 1.00 13.21 C ATOM 1205 C MET A 76 -7.949 1.612 -0.623 1.00 54.42 C ATOM 1206 O MET A 76 -8.852 1.256 -1.385 1.00 31.05 O ATOM 1207 CB MET A 76 -8.315 3.784 0.593 1.00 32.32 C ATOM 1208 CG MET A 76 -8.973 4.496 1.770 1.00 74.03 C ATOM 1209 SD MET A 76 -10.723 4.088 1.943 1.00 4.45 S ATOM 1210 CE MET A 76 -11.376 4.684 0.381 1.00 52.45 C ATOM 0 H MET A 76 -6.719 2.635 2.116 1.00 1.50 H new ATOM 0 HA MET A 76 -9.238 1.904 1.075 1.00 13.21 H new ATOM 0 HB2 MET A 76 -7.299 4.162 0.475 1.00 32.32 H new ATOM 0 HB3 MET A 76 -8.856 4.035 -0.319 1.00 32.32 H new ATOM 0 HG2 MET A 76 -8.450 4.230 2.688 1.00 74.03 H new ATOM 0 HG3 MET A 76 -8.866 5.573 1.643 1.00 74.03 H new ATOM 0 HE1 MET A 76 -12.349 5.148 0.546 1.00 52.45 H new ATOM 0 HE2 MET A 76 -10.691 5.419 -0.043 1.00 52.45 H new ATOM 0 HE3 MET A 76 -11.485 3.848 -0.310 1.00 52.45 H new ATOM 1220 N ALA A 77 -6.659 1.478 -0.924 1.00 63.01 N ATOM 1221 CA ALA A 77 -6.213 0.786 -2.136 1.00 73.22 C ATOM 1222 C ALA A 77 -6.551 -0.711 -2.076 1.00 43.22 C ATOM 1223 O ALA A 77 -7.083 -1.270 -3.032 1.00 55.03 O ATOM 1224 CB ALA A 77 -4.719 0.994 -2.345 1.00 4.53 C ATOM 0 H ALA A 77 -5.901 1.840 -0.345 1.00 63.01 H new ATOM 0 HA ALA A 77 -6.745 1.213 -2.986 1.00 73.22 H new ATOM 0 HB1 ALA A 77 -4.402 0.474 -3.249 1.00 4.53 H new ATOM 0 HB2 ALA A 77 -4.511 2.059 -2.447 1.00 4.53 H new ATOM 0 HB3 ALA A 77 -4.173 0.598 -1.489 1.00 4.53 H new ATOM 1230 N VAL A 78 -6.256 -1.350 -0.943 1.00 12.41 N ATOM 1231 CA VAL A 78 -6.580 -2.773 -0.739 1.00 65.24 C ATOM 1232 C VAL A 78 -8.071 -3.048 -0.996 1.00 1.01 C ATOM 1233 O VAL A 78 -8.427 -3.956 -1.750 1.00 74.24 O ATOM 1234 CB VAL A 78 -6.219 -3.238 0.695 1.00 23.13 C ATOM 1235 CG1 VAL A 78 -6.656 -4.685 0.935 1.00 1.11 C ATOM 1236 CG2 VAL A 78 -4.722 -3.082 0.952 1.00 32.45 C ATOM 0 H VAL A 78 -5.793 -0.909 -0.149 1.00 12.41 H new ATOM 0 HA VAL A 78 -5.982 -3.336 -1.456 1.00 65.24 H new ATOM 0 HB VAL A 78 -6.759 -2.603 1.397 1.00 23.13 H new ATOM 0 HG11 VAL A 78 -6.389 -4.982 1.949 1.00 1.11 H new ATOM 0 HG12 VAL A 78 -7.735 -4.765 0.805 1.00 1.11 H new ATOM 0 HG13 VAL A 78 -6.155 -5.339 0.222 1.00 1.11 H new ATOM 0 HG21 VAL A 78 -4.490 -3.414 1.964 1.00 32.45 H new ATOM 0 HG22 VAL A 78 -4.165 -3.686 0.235 1.00 32.45 H new ATOM 0 HG23 VAL A 78 -4.441 -2.035 0.840 1.00 32.45 H new ATOM 1246 N ALA A 79 -8.934 -2.242 -0.378 1.00 65.35 N ATOM 1247 CA ALA A 79 -10.383 -2.362 -0.574 1.00 0.03 C ATOM 1248 C ALA A 79 -10.779 -2.147 -2.045 1.00 3.51 C ATOM 1249 O ALA A 79 -11.727 -2.757 -2.541 1.00 1.04 O ATOM 1250 CB ALA A 79 -11.115 -1.369 0.321 1.00 35.33 C ATOM 0 H ALA A 79 -8.657 -1.498 0.263 1.00 65.35 H new ATOM 0 HA ALA A 79 -10.673 -3.376 -0.301 1.00 0.03 H new ATOM 0 HB1 ALA A 79 -12.190 -1.466 0.168 1.00 35.33 H new ATOM 0 HB2 ALA A 79 -10.877 -1.575 1.364 1.00 35.33 H new ATOM 0 HB3 ALA A 79 -10.803 -0.355 0.071 1.00 35.33 H new ATOM 1256 N LYS A 80 -10.040 -1.281 -2.738 1.00 71.25 N ATOM 1257 CA LYS A 80 -10.300 -0.994 -4.155 1.00 42.35 C ATOM 1258 C LYS A 80 -9.781 -2.118 -5.073 1.00 61.20 C ATOM 1259 O LYS A 80 -10.348 -2.380 -6.132 1.00 43.24 O ATOM 1260 CB LYS A 80 -9.642 0.330 -4.556 1.00 14.42 C ATOM 1261 CG LYS A 80 -9.950 0.757 -5.987 1.00 31.22 C ATOM 1262 CD LYS A 80 -9.107 1.949 -6.424 1.00 51.12 C ATOM 1263 CE LYS A 80 -9.429 2.364 -7.854 1.00 64.42 C ATOM 1264 NZ LYS A 80 -8.470 3.370 -8.370 1.00 42.33 N ATOM 0 H LYS A 80 -9.255 -0.764 -2.343 1.00 71.25 H new ATOM 0 HA LYS A 80 -11.381 -0.925 -4.278 1.00 42.35 H new ATOM 0 HB2 LYS A 80 -9.974 1.112 -3.873 1.00 14.42 H new ATOM 0 HB3 LYS A 80 -8.562 0.240 -4.437 1.00 14.42 H new ATOM 0 HG2 LYS A 80 -9.770 -0.080 -6.661 1.00 31.22 H new ATOM 0 HG3 LYS A 80 -11.007 1.011 -6.069 1.00 31.22 H new ATOM 0 HD2 LYS A 80 -9.285 2.788 -5.751 1.00 51.12 H new ATOM 0 HD3 LYS A 80 -8.049 1.697 -6.346 1.00 51.12 H new ATOM 0 HE2 LYS A 80 -9.414 1.485 -8.499 1.00 64.42 H new ATOM 0 HE3 LYS A 80 -10.439 2.772 -7.894 1.00 64.42 H new ATOM 0 HZ1 LYS A 80 -8.993 4.153 -8.811 1.00 42.33 H new ATOM 0 HZ2 LYS A 80 -7.895 3.736 -7.585 1.00 42.33 H new ATOM 0 HZ3 LYS A 80 -7.849 2.927 -9.076 1.00 42.33 H new ATOM 1278 N VAL A 81 -8.690 -2.768 -4.672 1.00 23.42 N ATOM 1279 CA VAL A 81 -8.095 -3.854 -5.465 1.00 61.33 C ATOM 1280 C VAL A 81 -8.878 -5.168 -5.311 1.00 1.54 C ATOM 1281 O VAL A 81 -9.285 -5.781 -6.301 1.00 50.20 O ATOM 1282 CB VAL A 81 -6.609 -4.092 -5.077 1.00 43.30 C ATOM 1283 CG1 VAL A 81 -6.029 -5.295 -5.820 1.00 62.53 C ATOM 1284 CG2 VAL A 81 -5.779 -2.841 -5.355 1.00 24.04 C ATOM 0 H VAL A 81 -8.196 -2.565 -3.803 1.00 23.42 H new ATOM 0 HA VAL A 81 -8.144 -3.538 -6.507 1.00 61.33 H new ATOM 0 HB VAL A 81 -6.571 -4.308 -4.009 1.00 43.30 H new ATOM 0 HG11 VAL A 81 -4.988 -5.436 -5.528 1.00 62.53 H new ATOM 0 HG12 VAL A 81 -6.601 -6.188 -5.569 1.00 62.53 H new ATOM 0 HG13 VAL A 81 -6.083 -5.120 -6.894 1.00 62.53 H new ATOM 0 HG21 VAL A 81 -4.741 -3.024 -5.078 1.00 24.04 H new ATOM 0 HG22 VAL A 81 -5.834 -2.596 -6.416 1.00 24.04 H new ATOM 0 HG23 VAL A 81 -6.169 -2.008 -4.770 1.00 24.04 H new ATOM 1294 N MET A 82 -9.094 -5.596 -4.066 1.00 44.24 N ATOM 1295 CA MET A 82 -9.781 -6.868 -3.801 1.00 52.41 C ATOM 1296 C MET A 82 -11.300 -6.749 -4.022 1.00 25.00 C ATOM 1297 O MET A 82 -11.946 -7.713 -4.436 1.00 23.11 O ATOM 1298 CB MET A 82 -9.479 -7.355 -2.378 1.00 2.33 C ATOM 1299 CG MET A 82 -7.989 -7.467 -2.082 1.00 11.23 C ATOM 1300 SD MET A 82 -7.640 -8.413 -0.587 1.00 24.42 S ATOM 1301 CE MET A 82 -8.191 -10.046 -1.086 1.00 4.34 C ATOM 0 H MET A 82 -8.807 -5.088 -3.229 1.00 44.24 H new ATOM 0 HA MET A 82 -9.402 -7.603 -4.511 1.00 52.41 H new ATOM 0 HB2 MET A 82 -9.934 -6.669 -1.663 1.00 2.33 H new ATOM 0 HB3 MET A 82 -9.946 -8.328 -2.228 1.00 2.33 H new ATOM 0 HG2 MET A 82 -7.490 -7.938 -2.929 1.00 11.23 H new ATOM 0 HG3 MET A 82 -7.568 -6.467 -1.980 1.00 11.23 H new ATOM 0 HE1 MET A 82 -9.098 -10.306 -0.541 1.00 4.34 H new ATOM 0 HE2 MET A 82 -8.398 -10.049 -2.156 1.00 4.34 H new ATOM 0 HE3 MET A 82 -7.412 -10.776 -0.865 1.00 4.34 H new ATOM 1311 N GLN A 83 -11.856 -5.561 -3.752 1.00 43.22 N ATOM 1312 CA GLN A 83 -13.271 -5.260 -4.047 1.00 63.45 C ATOM 1313 C GLN A 83 -14.251 -6.206 -3.327 1.00 14.31 C ATOM 1314 O GLN A 83 -15.374 -6.418 -3.787 1.00 34.35 O ATOM 1315 CB GLN A 83 -13.502 -5.303 -5.566 1.00 62.43 C ATOM 1316 CG GLN A 83 -12.778 -4.194 -6.321 1.00 23.32 C ATOM 1317 CD GLN A 83 -12.798 -4.392 -7.825 1.00 5.41 C ATOM 1318 OE1 GLN A 83 -13.721 -3.966 -8.513 1.00 14.23 O ATOM 1319 NE2 GLN A 83 -11.771 -5.031 -8.356 1.00 53.43 N ATOM 0 H GLN A 83 -11.347 -4.786 -3.327 1.00 43.22 H new ATOM 0 HA GLN A 83 -13.475 -4.259 -3.667 1.00 63.45 H new ATOM 0 HB2 GLN A 83 -13.171 -6.269 -5.949 1.00 62.43 H new ATOM 0 HB3 GLN A 83 -14.571 -5.230 -5.766 1.00 62.43 H new ATOM 0 HG2 GLN A 83 -13.239 -3.236 -6.080 1.00 23.32 H new ATOM 0 HG3 GLN A 83 -11.744 -4.145 -5.980 1.00 23.32 H new ATOM 0 HE21 GLN A 83 -11.019 -5.373 -7.758 1.00 53.43 H new ATOM 0 HE22 GLN A 83 -11.730 -5.182 -9.364 1.00 53.43 H new ATOM 1328 N LYS A 84 -13.837 -6.745 -2.186 1.00 1.25 N ATOM 1329 CA LYS A 84 -14.698 -7.626 -1.386 1.00 20.41 C ATOM 1330 C LYS A 84 -15.840 -6.847 -0.717 1.00 40.44 C ATOM 1331 O LYS A 84 -17.023 -7.152 -0.906 1.00 0.02 O ATOM 1332 CB LYS A 84 -13.859 -8.347 -0.316 1.00 73.00 C ATOM 1333 CG LYS A 84 -14.685 -8.990 0.798 1.00 11.44 C ATOM 1334 CD LYS A 84 -13.797 -9.540 1.911 1.00 3.31 C ATOM 1335 CE LYS A 84 -14.602 -9.915 3.150 1.00 64.41 C ATOM 1336 NZ LYS A 84 -15.299 -8.738 3.737 1.00 64.35 N ATOM 0 H LYS A 84 -12.910 -6.591 -1.789 1.00 1.25 H new ATOM 0 HA LYS A 84 -15.143 -8.359 -2.059 1.00 20.41 H new ATOM 0 HB2 LYS A 84 -13.259 -9.118 -0.799 1.00 73.00 H new ATOM 0 HB3 LYS A 84 -13.165 -7.633 0.127 1.00 73.00 H new ATOM 0 HG2 LYS A 84 -15.374 -8.254 1.212 1.00 11.44 H new ATOM 0 HG3 LYS A 84 -15.291 -9.796 0.384 1.00 11.44 H new ATOM 0 HD2 LYS A 84 -13.261 -10.417 1.548 1.00 3.31 H new ATOM 0 HD3 LYS A 84 -13.047 -8.796 2.178 1.00 3.31 H new ATOM 0 HE2 LYS A 84 -15.335 -10.678 2.889 1.00 64.41 H new ATOM 0 HE3 LYS A 84 -13.938 -10.353 3.895 1.00 64.41 H new ATOM 0 HZ1 LYS A 84 -15.560 -8.945 4.722 1.00 64.35 H new ATOM 0 HZ2 LYS A 84 -14.667 -7.912 3.712 1.00 64.35 H new ATOM 0 HZ3 LYS A 84 -16.158 -8.533 3.187 1.00 64.35 H new ATOM 1350 N ASP A 85 -15.476 -5.839 0.057 1.00 61.41 N ATOM 1351 CA ASP A 85 -16.439 -5.083 0.862 1.00 74.21 C ATOM 1352 C ASP A 85 -17.180 -4.008 0.042 1.00 14.30 C ATOM 1353 O ASP A 85 -16.812 -2.832 0.062 1.00 55.24 O ATOM 1354 CB ASP A 85 -15.718 -4.451 2.054 1.00 33.13 C ATOM 1355 CG ASP A 85 -14.942 -5.488 2.847 1.00 74.33 C ATOM 1356 OD1 ASP A 85 -13.777 -5.763 2.496 1.00 73.42 O ATOM 1357 OD2 ASP A 85 -15.502 -6.050 3.810 1.00 63.51 O ATOM 0 H ASP A 85 -14.512 -5.518 0.150 1.00 61.41 H new ATOM 0 HA ASP A 85 -17.199 -5.780 1.216 1.00 74.21 H new ATOM 0 HB2 ASP A 85 -15.037 -3.677 1.700 1.00 33.13 H new ATOM 0 HB3 ASP A 85 -16.445 -3.963 2.704 1.00 33.13 H new ATOM 1362 N SER A 86 -18.212 -4.440 -0.689 1.00 51.22 N ATOM 1363 CA SER A 86 -19.107 -3.534 -1.445 1.00 22.32 C ATOM 1364 C SER A 86 -18.343 -2.625 -2.435 1.00 33.31 C ATOM 1365 O SER A 86 -18.030 -3.087 -3.556 1.00 39.32 O ATOM 1366 CB SER A 86 -19.943 -2.679 -0.479 1.00 63.30 C ATOM 1367 OG SER A 86 -20.912 -1.907 -1.175 1.00 1.23 O ATOM 1368 OXT SER A 86 -18.079 -1.445 -2.100 1.00 39.32 O ATOM 0 H SER A 86 -18.457 -5.426 -0.779 1.00 51.22 H new ATOM 0 HA SER A 86 -19.767 -4.167 -2.038 1.00 22.32 H new ATOM 0 HB2 SER A 86 -20.441 -3.326 0.243 1.00 63.30 H new ATOM 0 HB3 SER A 86 -19.286 -2.018 0.086 1.00 63.30 H new ATOM 0 HG SER A 86 -21.429 -1.375 -0.534 1.00 1.23 H new TER 1374 SER A 86