USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 877 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 45 MET CE :methyl 168:sc= -1.7 (180deg=-1.75) USER MOD Set 1.2: A 90 TYR OH : rot -111:sc= 0.491 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.425 USER MOD Set 2.2: A 18 THR OG1 : rot -63:sc= 0.456 USER MOD Set 3.1: A 17 LYS NZ :NH3+ -166:sc= 0.68 (180deg=0) USER MOD Set 3.2: A 19 TYR OH : rot -80:sc= 0.523 USER MOD Set 4.1: A 11 LYS NZ :NH3+ -111:sc= 0.0995 (180deg=-2.15!) USER MOD Set 4.2: A 59 SER OG : rot 160:sc= 0.693 USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= 1.4 (180deg=-1.7!) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 0.0148 (180deg=-0.018) USER MOD Single : A 9 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.53) USER MOD Single : A 15 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.62) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 24 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 0.444 (180deg=0.142) USER MOD Single : A 38 LYS NZ :NH3+ -145:sc= -0.0155 (180deg=-0.961) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 0.521 (180deg=-0.34) USER MOD Single : A 42 ASN : amide:sc= -0.0651 K(o=-0.065,f=-0.74) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -1.1 (180deg=-1.83!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0.288 (180deg=0.287) USER MOD Single : A 64 HIS : no HE2:sc= -0.0403 K(o=-0.04,f=-0.68) USER MOD Single : A 65 SER OG : rot -120:sc= -0.225 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0175) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= -0.825 (180deg=-2.46!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.624 K(o=0.62,f=-3.7!) USER MOD Single : A 93 SER OG : rot -46:sc= 0.189 USER MOD Single : A 94 ASN : amide:sc= 0.022 K(o=0.022,f=-2.5!) USER MOD Single : A 96 THR OG1 : rot -2:sc= 0.151 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 15.840 -5.787 0.008 1.00 62.31 N ATOM 39 CA LYS A 4 15.131 -5.421 1.249 1.00 10.14 C ATOM 40 C LYS A 4 13.847 -6.254 1.409 1.00 61.35 C ATOM 41 O LYS A 4 13.042 -6.352 0.476 1.00 12.22 O ATOM 42 CB LYS A 4 14.779 -3.898 1.261 1.00 20.21 C ATOM 43 CG LYS A 4 15.993 -2.944 1.282 1.00 1.11 C ATOM 44 CD LYS A 4 16.955 -3.243 2.451 1.00 54.11 C ATOM 45 CE LYS A 4 18.023 -2.165 2.648 1.00 31.43 C ATOM 46 NZ LYS A 4 17.435 -0.864 3.072 1.00 52.05 N ATOM 0 HA LYS A 4 15.796 -5.633 2.086 1.00 10.14 H new ATOM 0 HB2 LYS A 4 14.176 -3.674 0.381 1.00 20.21 H new ATOM 0 HB3 LYS A 4 14.159 -3.691 2.134 1.00 20.21 H new ATOM 0 HG2 LYS A 4 16.534 -3.028 0.339 1.00 1.11 H new ATOM 0 HG3 LYS A 4 15.642 -1.915 1.358 1.00 1.11 H new ATOM 0 HD2 LYS A 4 16.378 -3.345 3.370 1.00 54.11 H new ATOM 0 HD3 LYS A 4 17.444 -4.201 2.274 1.00 54.11 H new ATOM 0 HE2 LYS A 4 18.741 -2.499 3.397 1.00 31.43 H new ATOM 0 HE3 LYS A 4 18.574 -2.027 1.718 1.00 31.43 H new ATOM 0 HZ1 LYS A 4 17.694 -0.126 2.386 1.00 52.05 H new ATOM 0 HZ2 LYS A 4 16.399 -0.949 3.115 1.00 52.05 H new ATOM 0 HZ3 LYS A 4 17.801 -0.607 4.011 1.00 52.05 H new ATOM 60 N LYS A 5 13.692 -6.876 2.588 1.00 21.45 N ATOM 61 CA LYS A 5 12.428 -7.485 3.035 1.00 14.03 C ATOM 62 C LYS A 5 11.640 -6.410 3.804 1.00 71.44 C ATOM 63 O LYS A 5 11.977 -6.081 4.947 1.00 51.13 O ATOM 64 CB LYS A 5 12.721 -8.746 3.921 1.00 43.21 C ATOM 65 CG LYS A 5 11.485 -9.610 4.345 1.00 65.53 C ATOM 66 CD LYS A 5 10.761 -9.125 5.633 1.00 54.11 C ATOM 67 CE LYS A 5 11.676 -9.144 6.881 1.00 23.02 C ATOM 68 NZ LYS A 5 10.937 -8.771 8.121 1.00 1.21 N ATOM 0 H LYS A 5 14.448 -6.972 3.266 1.00 21.45 H new ATOM 0 HA LYS A 5 11.834 -7.828 2.188 1.00 14.03 H new ATOM 0 HB2 LYS A 5 13.416 -9.388 3.380 1.00 43.21 H new ATOM 0 HB3 LYS A 5 13.231 -8.415 4.826 1.00 43.21 H new ATOM 0 HG2 LYS A 5 10.768 -9.620 3.524 1.00 65.53 H new ATOM 0 HG3 LYS A 5 11.813 -10.639 4.495 1.00 65.53 H new ATOM 0 HD2 LYS A 5 10.390 -8.112 5.476 1.00 54.11 H new ATOM 0 HD3 LYS A 5 9.892 -9.758 5.816 1.00 54.11 H new ATOM 0 HE2 LYS A 5 12.106 -10.139 7.000 1.00 23.02 H new ATOM 0 HE3 LYS A 5 12.506 -8.454 6.732 1.00 23.02 H new ATOM 0 HZ1 LYS A 5 11.564 -8.878 8.944 1.00 1.21 H new ATOM 0 HZ2 LYS A 5 10.621 -7.783 8.053 1.00 1.21 H new ATOM 0 HZ3 LYS A 5 10.110 -9.392 8.232 1.00 1.21 H new ATOM 82 N VAL A 6 10.622 -5.844 3.151 1.00 2.34 N ATOM 83 CA VAL A 6 9.724 -4.830 3.741 1.00 72.14 C ATOM 84 C VAL A 6 8.420 -5.509 4.192 1.00 62.22 C ATOM 85 O VAL A 6 7.918 -6.421 3.532 1.00 44.03 O ATOM 86 CB VAL A 6 9.412 -3.650 2.723 1.00 1.15 C ATOM 87 CG1 VAL A 6 9.133 -4.178 1.304 1.00 52.41 C ATOM 88 CG2 VAL A 6 8.236 -2.769 3.200 1.00 24.50 C ATOM 0 H VAL A 6 10.390 -6.075 2.185 1.00 2.34 H new ATOM 0 HA VAL A 6 10.226 -4.386 4.601 1.00 72.14 H new ATOM 0 HB VAL A 6 10.309 -3.031 2.690 1.00 1.15 H new ATOM 0 HG11 VAL A 6 8.924 -3.340 0.639 1.00 52.41 H new ATOM 0 HG12 VAL A 6 10.005 -4.722 0.940 1.00 52.41 H new ATOM 0 HG13 VAL A 6 8.272 -4.846 1.327 1.00 52.41 H new ATOM 0 HG21 VAL A 6 8.058 -1.976 2.474 1.00 24.50 H new ATOM 0 HG22 VAL A 6 7.339 -3.381 3.296 1.00 24.50 H new ATOM 0 HG23 VAL A 6 8.480 -2.328 4.167 1.00 24.50 H new ATOM 98 N GLU A 7 7.888 -5.059 5.332 1.00 44.24 N ATOM 99 CA GLU A 7 6.607 -5.524 5.877 1.00 32.34 C ATOM 100 C GLU A 7 5.587 -4.379 5.740 1.00 10.20 C ATOM 101 O GLU A 7 5.722 -3.323 6.371 1.00 12.12 O ATOM 102 CB GLU A 7 6.792 -5.971 7.349 1.00 1.23 C ATOM 103 CG GLU A 7 7.868 -7.057 7.539 1.00 74.33 C ATOM 104 CD GLU A 7 8.141 -7.403 9.010 1.00 42.03 C ATOM 105 OE1 GLU A 7 7.384 -8.201 9.593 1.00 41.32 O ATOM 106 OE2 GLU A 7 9.121 -6.878 9.585 1.00 0.13 O ATOM 0 H GLU A 7 8.340 -4.352 5.911 1.00 44.24 H new ATOM 0 HA GLU A 7 6.237 -6.390 5.328 1.00 32.34 H new ATOM 0 HB2 GLU A 7 7.056 -5.102 7.952 1.00 1.23 H new ATOM 0 HB3 GLU A 7 5.841 -6.345 7.728 1.00 1.23 H new ATOM 0 HG2 GLU A 7 7.557 -7.960 7.014 1.00 74.33 H new ATOM 0 HG3 GLU A 7 8.796 -6.722 7.075 1.00 74.33 H new ATOM 113 N VAL A 8 4.576 -4.611 4.895 1.00 1.42 N ATOM 114 CA VAL A 8 3.591 -3.602 4.477 1.00 3.42 C ATOM 115 C VAL A 8 2.298 -3.760 5.293 1.00 43.34 C ATOM 116 O VAL A 8 1.563 -4.738 5.112 1.00 12.45 O ATOM 117 CB VAL A 8 3.292 -3.751 2.930 1.00 14.51 C ATOM 118 CG1 VAL A 8 2.220 -2.747 2.439 1.00 31.12 C ATOM 119 CG2 VAL A 8 4.594 -3.617 2.106 1.00 52.11 C ATOM 0 H VAL A 8 4.415 -5.525 4.472 1.00 1.42 H new ATOM 0 HA VAL A 8 3.997 -2.607 4.660 1.00 3.42 H new ATOM 0 HB VAL A 8 2.884 -4.750 2.776 1.00 14.51 H new ATOM 0 HG11 VAL A 8 2.050 -2.889 1.372 1.00 31.12 H new ATOM 0 HG12 VAL A 8 1.289 -2.915 2.980 1.00 31.12 H new ATOM 0 HG13 VAL A 8 2.565 -1.729 2.619 1.00 31.12 H new ATOM 0 HG21 VAL A 8 4.366 -3.723 1.045 1.00 52.11 H new ATOM 0 HG22 VAL A 8 5.039 -2.638 2.286 1.00 52.11 H new ATOM 0 HG23 VAL A 8 5.296 -4.395 2.405 1.00 52.11 H new ATOM 129 N GLN A 9 2.014 -2.787 6.180 1.00 34.32 N ATOM 130 CA GLN A 9 0.801 -2.802 7.007 1.00 1.00 C ATOM 131 C GLN A 9 -0.342 -2.245 6.163 1.00 72.03 C ATOM 132 O GLN A 9 -0.450 -1.034 6.008 1.00 32.31 O ATOM 133 CB GLN A 9 0.964 -1.914 8.281 1.00 43.22 C ATOM 134 CG GLN A 9 2.090 -2.320 9.243 1.00 5.22 C ATOM 135 CD GLN A 9 2.172 -1.424 10.492 1.00 21.43 C ATOM 136 OE1 GLN A 9 1.165 -0.881 10.953 1.00 72.04 O ATOM 137 NE2 GLN A 9 3.364 -1.264 11.053 1.00 41.35 N ATOM 0 H GLN A 9 2.615 -1.978 6.340 1.00 34.32 H new ATOM 0 HA GLN A 9 0.604 -3.824 7.332 1.00 1.00 H new ATOM 0 HB2 GLN A 9 1.137 -0.886 7.964 1.00 43.22 H new ATOM 0 HB3 GLN A 9 0.022 -1.924 8.830 1.00 43.22 H new ATOM 0 HG2 GLN A 9 1.938 -3.353 9.554 1.00 5.22 H new ATOM 0 HG3 GLN A 9 3.042 -2.283 8.714 1.00 5.22 H new ATOM 0 HE21 GLN A 9 4.182 -1.724 10.653 1.00 41.35 H new ATOM 0 HE22 GLN A 9 3.462 -0.681 11.884 1.00 41.35 H new ATOM 146 N VAL A 10 -1.176 -3.119 5.596 1.00 44.02 N ATOM 147 CA VAL A 10 -2.380 -2.687 4.879 1.00 33.25 C ATOM 148 C VAL A 10 -3.533 -2.710 5.877 1.00 22.12 C ATOM 149 O VAL A 10 -3.863 -3.763 6.427 1.00 2.45 O ATOM 150 CB VAL A 10 -2.696 -3.586 3.626 1.00 52.20 C ATOM 151 CG1 VAL A 10 -3.977 -3.105 2.891 1.00 14.35 C ATOM 152 CG2 VAL A 10 -1.484 -3.617 2.667 1.00 32.11 C ATOM 0 H VAL A 10 -1.041 -4.130 5.619 1.00 44.02 H new ATOM 0 HA VAL A 10 -2.225 -1.683 4.483 1.00 33.25 H new ATOM 0 HB VAL A 10 -2.885 -4.601 3.977 1.00 52.20 H new ATOM 0 HG11 VAL A 10 -4.166 -3.748 2.031 1.00 14.35 H new ATOM 0 HG12 VAL A 10 -4.827 -3.151 3.572 1.00 14.35 H new ATOM 0 HG13 VAL A 10 -3.839 -2.078 2.553 1.00 14.35 H new ATOM 0 HG21 VAL A 10 -1.718 -4.243 1.805 1.00 32.11 H new ATOM 0 HG22 VAL A 10 -1.260 -2.605 2.330 1.00 32.11 H new ATOM 0 HG23 VAL A 10 -0.618 -4.026 3.188 1.00 32.11 H new ATOM 162 N LYS A 11 -4.068 -1.527 6.168 1.00 40.51 N ATOM 163 CA LYS A 11 -5.181 -1.341 7.092 1.00 73.34 C ATOM 164 C LYS A 11 -6.308 -0.644 6.332 1.00 53.15 C ATOM 165 O LYS A 11 -6.229 0.556 6.062 1.00 15.50 O ATOM 166 CB LYS A 11 -4.686 -0.503 8.300 1.00 21.50 C ATOM 167 CG LYS A 11 -5.737 -0.246 9.401 1.00 63.41 C ATOM 168 CD LYS A 11 -5.152 0.407 10.684 1.00 1.54 C ATOM 169 CE LYS A 11 -4.596 1.839 10.490 1.00 74.42 C ATOM 170 NZ LYS A 11 -3.283 1.889 9.780 1.00 33.34 N ATOM 0 H LYS A 11 -3.733 -0.655 5.760 1.00 40.51 H new ATOM 0 HA LYS A 11 -5.557 -2.289 7.476 1.00 73.34 H new ATOM 0 HB2 LYS A 11 -3.832 -1.011 8.748 1.00 21.50 H new ATOM 0 HB3 LYS A 11 -4.328 0.458 7.932 1.00 21.50 H new ATOM 0 HG2 LYS A 11 -6.519 0.399 9.000 1.00 63.41 H new ATOM 0 HG3 LYS A 11 -6.209 -1.192 9.668 1.00 63.41 H new ATOM 0 HD2 LYS A 11 -5.930 0.435 11.447 1.00 1.54 H new ATOM 0 HD3 LYS A 11 -4.353 -0.229 11.066 1.00 1.54 H new ATOM 0 HE2 LYS A 11 -5.323 2.427 9.930 1.00 74.42 H new ATOM 0 HE3 LYS A 11 -4.488 2.311 11.466 1.00 74.42 H new ATOM 0 HZ1 LYS A 11 -2.541 2.190 10.443 1.00 33.34 H new ATOM 0 HZ2 LYS A 11 -3.053 0.945 9.409 1.00 33.34 H new ATOM 0 HZ3 LYS A 11 -3.340 2.566 8.993 1.00 33.34 H new ATOM 184 N ILE A 12 -7.344 -1.408 5.960 1.00 73.31 N ATOM 185 CA ILE A 12 -8.444 -0.905 5.118 1.00 15.05 C ATOM 186 C ILE A 12 -9.795 -1.073 5.837 1.00 3.14 C ATOM 187 O ILE A 12 -10.143 -2.169 6.285 1.00 0.11 O ATOM 188 CB ILE A 12 -8.469 -1.591 3.692 1.00 65.23 C ATOM 189 CG1 ILE A 12 -9.632 -1.006 2.821 1.00 31.50 C ATOM 190 CG2 ILE A 12 -8.545 -3.136 3.786 1.00 61.21 C ATOM 191 CD1 ILE A 12 -9.690 -1.519 1.396 1.00 42.22 C ATOM 0 H ILE A 12 -7.445 -2.386 6.231 1.00 73.31 H new ATOM 0 HA ILE A 12 -8.267 0.158 4.953 1.00 15.05 H new ATOM 0 HB ILE A 12 -7.525 -1.360 3.198 1.00 65.23 H new ATOM 0 HG12 ILE A 12 -10.580 -1.231 3.310 1.00 31.50 H new ATOM 0 HG13 ILE A 12 -9.536 0.079 2.796 1.00 31.50 H new ATOM 0 HG21 ILE A 12 -8.560 -3.561 2.782 1.00 61.21 H new ATOM 0 HG22 ILE A 12 -7.676 -3.511 4.326 1.00 61.21 H new ATOM 0 HG23 ILE A 12 -9.453 -3.424 4.316 1.00 61.21 H new ATOM 0 HD11 ILE A 12 -10.528 -1.055 0.876 1.00 42.22 H new ATOM 0 HD12 ILE A 12 -8.762 -1.270 0.882 1.00 42.22 H new ATOM 0 HD13 ILE A 12 -9.822 -2.601 1.404 1.00 42.22 H new ATOM 203 N THR A 13 -10.538 0.038 5.957 1.00 75.15 N ATOM 204 CA THR A 13 -11.872 0.062 6.540 1.00 33.22 C ATOM 205 C THR A 13 -12.923 0.134 5.419 1.00 32.14 C ATOM 206 O THR A 13 -12.959 1.100 4.640 1.00 34.41 O ATOM 207 CB THR A 13 -12.036 1.263 7.526 1.00 14.14 C ATOM 208 OG1 THR A 13 -11.003 1.204 8.519 1.00 54.53 O ATOM 209 CG2 THR A 13 -13.408 1.260 8.227 1.00 2.22 C ATOM 0 H THR A 13 -10.217 0.954 5.645 1.00 75.15 H new ATOM 0 HA THR A 13 -12.019 -0.855 7.111 1.00 33.22 H new ATOM 0 HB THR A 13 -11.962 2.181 6.942 1.00 14.14 H new ATOM 0 HG1 THR A 13 -11.102 1.957 9.139 1.00 54.53 H new ATOM 0 HG21 THR A 13 -13.474 2.114 8.902 1.00 2.22 H new ATOM 0 HG22 THR A 13 -14.199 1.327 7.480 1.00 2.22 H new ATOM 0 HG23 THR A 13 -13.524 0.338 8.796 1.00 2.22 H new ATOM 217 N CYS A 14 -13.747 -0.920 5.332 1.00 65.01 N ATOM 218 CA CYS A 14 -14.874 -1.010 4.396 1.00 0.23 C ATOM 219 C CYS A 14 -16.084 -1.640 5.108 1.00 74.43 C ATOM 220 O CYS A 14 -15.927 -2.612 5.861 1.00 32.33 O ATOM 221 CB CYS A 14 -14.478 -1.830 3.159 1.00 42.42 C ATOM 222 SG CYS A 14 -15.788 -2.013 1.894 1.00 35.25 S ATOM 0 H CYS A 14 -13.646 -1.747 5.920 1.00 65.01 H new ATOM 0 HA CYS A 14 -15.146 -0.009 4.061 1.00 0.23 H new ATOM 0 HB2 CYS A 14 -13.610 -1.362 2.695 1.00 42.42 H new ATOM 0 HB3 CYS A 14 -14.168 -2.823 3.485 1.00 42.42 H new ATOM 227 N ASN A 15 -17.273 -1.027 4.894 1.00 72.23 N ATOM 228 CA ASN A 15 -18.583 -1.519 5.392 1.00 11.41 C ATOM 229 C ASN A 15 -18.684 -1.366 6.931 1.00 24.44 C ATOM 230 O ASN A 15 -19.373 -2.133 7.619 1.00 25.12 O ATOM 231 CB ASN A 15 -18.831 -2.993 4.914 1.00 32.53 C ATOM 232 CG ASN A 15 -20.268 -3.488 5.101 1.00 44.41 C ATOM 233 OD1 ASN A 15 -21.227 -2.717 4.990 1.00 33.14 O ATOM 234 ND2 ASN A 15 -20.432 -4.765 5.405 1.00 25.11 N ATOM 0 H ASN A 15 -17.351 -0.161 4.361 1.00 72.23 H new ATOM 0 HA ASN A 15 -19.377 -0.905 4.966 1.00 11.41 H new ATOM 0 HB2 ASN A 15 -18.569 -3.068 3.859 1.00 32.53 H new ATOM 0 HB3 ASN A 15 -18.158 -3.656 5.458 1.00 32.53 H new ATOM 0 HD21 ASN A 15 -21.370 -5.137 5.555 1.00 25.11 H new ATOM 0 HD22 ASN A 15 -19.621 -5.377 5.490 1.00 25.11 H new ATOM 241 N GLY A 16 -17.992 -0.332 7.462 1.00 71.02 N ATOM 242 CA GLY A 16 -17.947 -0.071 8.905 1.00 0.13 C ATOM 243 C GLY A 16 -16.892 -0.899 9.634 1.00 15.24 C ATOM 244 O GLY A 16 -16.637 -0.677 10.822 1.00 25.22 O ATOM 0 H GLY A 16 -17.458 0.333 6.903 1.00 71.02 H new ATOM 0 HA2 GLY A 16 -17.746 0.988 9.070 1.00 0.13 H new ATOM 0 HA3 GLY A 16 -18.926 -0.281 9.336 1.00 0.13 H new ATOM 248 N LYS A 17 -16.266 -1.845 8.906 1.00 12.05 N ATOM 249 CA LYS A 17 -15.335 -2.828 9.468 1.00 14.40 C ATOM 250 C LYS A 17 -13.894 -2.464 9.100 1.00 64.05 C ATOM 251 O LYS A 17 -13.599 -2.237 7.926 1.00 33.24 O ATOM 252 CB LYS A 17 -15.648 -4.234 8.907 1.00 71.03 C ATOM 253 CG LYS A 17 -17.073 -4.760 9.191 1.00 1.22 C ATOM 254 CD LYS A 17 -17.262 -6.195 8.635 1.00 72.52 C ATOM 255 CE LYS A 17 -16.279 -7.201 9.272 1.00 61.33 C ATOM 256 NZ LYS A 17 -16.272 -8.510 8.570 1.00 22.42 N ATOM 0 H LYS A 17 -16.398 -1.944 7.899 1.00 12.05 H new ATOM 0 HA LYS A 17 -15.449 -2.827 10.552 1.00 14.40 H new ATOM 0 HB2 LYS A 17 -15.493 -4.219 7.828 1.00 71.03 H new ATOM 0 HB3 LYS A 17 -14.929 -4.940 9.322 1.00 71.03 H new ATOM 0 HG2 LYS A 17 -17.258 -4.756 10.265 1.00 1.22 H new ATOM 0 HG3 LYS A 17 -17.807 -4.092 8.739 1.00 1.22 H new ATOM 0 HD2 LYS A 17 -18.285 -6.523 8.820 1.00 72.52 H new ATOM 0 HD3 LYS A 17 -17.120 -6.186 7.554 1.00 72.52 H new ATOM 0 HE2 LYS A 17 -15.274 -6.780 9.259 1.00 61.33 H new ATOM 0 HE3 LYS A 17 -16.547 -7.354 10.317 1.00 61.33 H new ATOM 0 HZ1 LYS A 17 -15.789 -9.218 9.160 1.00 22.42 H new ATOM 0 HZ2 LYS A 17 -17.251 -8.815 8.394 1.00 22.42 H new ATOM 0 HZ3 LYS A 17 -15.771 -8.415 7.664 1.00 22.42 H new ATOM 270 N THR A 18 -12.999 -2.457 10.094 1.00 20.54 N ATOM 271 CA THR A 18 -11.566 -2.239 9.879 1.00 4.20 C ATOM 272 C THR A 18 -10.874 -3.597 9.777 1.00 71.23 C ATOM 273 O THR A 18 -11.110 -4.490 10.593 1.00 30.35 O ATOM 274 CB THR A 18 -10.922 -1.405 11.038 1.00 54.31 C ATOM 275 OG1 THR A 18 -11.586 -0.139 11.138 1.00 45.54 O ATOM 276 CG2 THR A 18 -9.410 -1.163 10.829 1.00 12.41 C ATOM 0 H THR A 18 -13.250 -2.603 11.072 1.00 20.54 H new ATOM 0 HA THR A 18 -11.438 -1.671 8.958 1.00 4.20 H new ATOM 0 HB THR A 18 -11.040 -1.983 11.955 1.00 54.31 H new ATOM 0 HG1 THR A 18 -11.443 0.371 10.314 1.00 45.54 H new ATOM 0 HG21 THR A 18 -9.016 -0.580 11.662 1.00 12.41 H new ATOM 0 HG22 THR A 18 -8.892 -2.121 10.779 1.00 12.41 H new ATOM 0 HG23 THR A 18 -9.254 -0.617 9.899 1.00 12.41 H new ATOM 284 N TYR A 19 -10.052 -3.749 8.751 1.00 75.31 N ATOM 285 CA TYR A 19 -9.167 -4.899 8.570 1.00 62.33 C ATOM 286 C TYR A 19 -7.735 -4.376 8.635 1.00 70.52 C ATOM 287 O TYR A 19 -7.474 -3.269 8.154 1.00 31.01 O ATOM 288 CB TYR A 19 -9.432 -5.580 7.198 1.00 23.55 C ATOM 289 CG TYR A 19 -10.880 -6.042 6.985 1.00 22.55 C ATOM 290 CD1 TYR A 19 -11.306 -7.298 7.419 1.00 5.52 C ATOM 291 CD2 TYR A 19 -11.821 -5.220 6.350 1.00 74.51 C ATOM 292 CE1 TYR A 19 -12.607 -7.719 7.222 1.00 3.32 C ATOM 293 CE2 TYR A 19 -13.122 -5.639 6.155 1.00 25.15 C ATOM 294 CZ TYR A 19 -13.511 -6.887 6.593 1.00 1.30 C ATOM 295 OH TYR A 19 -14.805 -7.318 6.385 1.00 33.32 O ATOM 0 H TYR A 19 -9.976 -3.062 8.001 1.00 75.31 H new ATOM 0 HA TYR A 19 -9.343 -5.646 9.344 1.00 62.33 H new ATOM 0 HB2 TYR A 19 -9.166 -4.883 6.403 1.00 23.55 H new ATOM 0 HB3 TYR A 19 -8.771 -6.441 7.101 1.00 23.55 H new ATOM 0 HD1 TYR A 19 -10.606 -7.952 7.918 1.00 5.52 H new ATOM 0 HD2 TYR A 19 -11.523 -4.240 6.007 1.00 74.51 H new ATOM 0 HE1 TYR A 19 -12.916 -8.697 7.560 1.00 3.32 H new ATOM 0 HE2 TYR A 19 -13.832 -4.992 5.661 1.00 25.15 H new ATOM 0 HH TYR A 19 -14.833 -7.903 5.599 1.00 33.32 H new ATOM 305 N GLU A 20 -6.817 -5.159 9.201 1.00 34.11 N ATOM 306 CA GLU A 20 -5.388 -4.821 9.240 1.00 34.25 C ATOM 307 C GLU A 20 -4.548 -6.107 9.207 1.00 75.51 C ATOM 308 O GLU A 20 -4.820 -7.063 9.946 1.00 75.51 O ATOM 309 CB GLU A 20 -5.031 -3.925 10.466 1.00 11.31 C ATOM 310 CG GLU A 20 -5.234 -4.545 11.870 1.00 60.23 C ATOM 311 CD GLU A 20 -6.704 -4.848 12.214 1.00 3.31 C ATOM 312 OE1 GLU A 20 -7.461 -3.891 12.496 1.00 64.32 O ATOM 313 OE2 GLU A 20 -7.112 -6.036 12.200 1.00 12.41 O ATOM 0 H GLU A 20 -7.040 -6.048 9.647 1.00 34.11 H new ATOM 0 HA GLU A 20 -5.152 -4.230 8.355 1.00 34.25 H new ATOM 0 HB2 GLU A 20 -3.987 -3.626 10.375 1.00 11.31 H new ATOM 0 HB3 GLU A 20 -5.629 -3.016 10.407 1.00 11.31 H new ATOM 0 HG2 GLU A 20 -4.659 -5.468 11.935 1.00 60.23 H new ATOM 0 HG3 GLU A 20 -4.829 -3.864 12.619 1.00 60.23 H new ATOM 320 N ARG A 21 -3.554 -6.128 8.313 1.00 13.11 N ATOM 321 CA ARG A 21 -2.625 -7.252 8.144 1.00 25.41 C ATOM 322 C ARG A 21 -1.317 -6.716 7.559 1.00 62.11 C ATOM 323 O ARG A 21 -1.343 -5.904 6.629 1.00 41.03 O ATOM 324 CB ARG A 21 -3.230 -8.351 7.220 1.00 3.44 C ATOM 325 CG ARG A 21 -2.309 -9.573 6.989 1.00 30.05 C ATOM 326 CD ARG A 21 -2.946 -10.654 6.096 1.00 72.41 C ATOM 327 NE ARG A 21 -1.987 -11.730 5.783 1.00 31.52 N ATOM 328 CZ ARG A 21 -2.099 -12.606 4.773 1.00 15.05 C ATOM 329 NH1 ARG A 21 -3.139 -12.570 3.939 1.00 41.14 N ATOM 330 NH2 ARG A 21 -1.140 -13.504 4.577 1.00 21.11 N ATOM 0 H ARG A 21 -3.369 -5.353 7.676 1.00 13.11 H new ATOM 0 HA ARG A 21 -2.438 -7.715 9.113 1.00 25.41 H new ATOM 0 HB2 ARG A 21 -4.169 -8.696 7.654 1.00 3.44 H new ATOM 0 HB3 ARG A 21 -3.470 -7.905 6.255 1.00 3.44 H new ATOM 0 HG2 ARG A 21 -1.378 -9.237 6.533 1.00 30.05 H new ATOM 0 HG3 ARG A 21 -2.051 -10.013 7.953 1.00 30.05 H new ATOM 0 HD2 ARG A 21 -3.817 -11.076 6.598 1.00 72.41 H new ATOM 0 HD3 ARG A 21 -3.301 -10.200 5.170 1.00 72.41 H new ATOM 0 HE ARG A 21 -1.169 -11.815 6.386 1.00 31.52 H new ATOM 0 HH11 ARG A 21 -3.868 -11.867 4.063 1.00 41.14 H new ATOM 0 HH12 ARG A 21 -3.205 -13.245 3.177 1.00 41.14 H new ATOM 0 HH21 ARG A 21 -0.327 -13.524 5.192 1.00 21.11 H new ATOM 0 HH22 ARG A 21 -1.217 -14.174 3.812 1.00 21.11 H new ATOM 344 N THR A 22 -0.185 -7.161 8.123 1.00 41.12 N ATOM 345 CA THR A 22 1.154 -6.767 7.677 1.00 74.12 C ATOM 346 C THR A 22 1.771 -7.892 6.814 1.00 52.31 C ATOM 347 O THR A 22 1.992 -9.004 7.303 1.00 53.51 O ATOM 348 CB THR A 22 2.062 -6.455 8.909 1.00 1.02 C ATOM 349 OG1 THR A 22 1.365 -5.576 9.819 1.00 3.34 O ATOM 350 CG2 THR A 22 3.380 -5.792 8.483 1.00 72.33 C ATOM 0 H THR A 22 -0.176 -7.811 8.909 1.00 41.12 H new ATOM 0 HA THR A 22 1.079 -5.864 7.071 1.00 74.12 H new ATOM 0 HB THR A 22 2.293 -7.400 9.400 1.00 1.02 H new ATOM 0 HG1 THR A 22 1.937 -5.384 10.591 1.00 3.34 H new ATOM 0 HG21 THR A 22 3.987 -5.589 9.365 1.00 72.33 H new ATOM 0 HG22 THR A 22 3.924 -6.459 7.814 1.00 72.33 H new ATOM 0 HG23 THR A 22 3.166 -4.856 7.967 1.00 72.33 H new ATOM 358 N TYR A 23 2.037 -7.586 5.525 1.00 62.13 N ATOM 359 CA TYR A 23 2.493 -8.564 4.516 1.00 63.13 C ATOM 360 C TYR A 23 4.024 -8.505 4.362 1.00 55.32 C ATOM 361 O TYR A 23 4.588 -7.435 4.124 1.00 60.33 O ATOM 362 CB TYR A 23 1.821 -8.274 3.142 1.00 72.34 C ATOM 363 CG TYR A 23 0.285 -8.311 3.157 1.00 72.41 C ATOM 364 CD1 TYR A 23 -0.453 -7.252 3.689 1.00 71.12 C ATOM 365 CD2 TYR A 23 -0.428 -9.395 2.628 1.00 51.51 C ATOM 366 CE1 TYR A 23 -1.829 -7.270 3.699 1.00 3.13 C ATOM 367 CE2 TYR A 23 -1.812 -9.411 2.637 1.00 12.23 C ATOM 368 CZ TYR A 23 -2.506 -8.344 3.174 1.00 22.05 C ATOM 369 OH TYR A 23 -3.884 -8.350 3.193 1.00 53.42 O ATOM 0 H TYR A 23 1.939 -6.641 5.153 1.00 62.13 H new ATOM 0 HA TYR A 23 2.208 -9.561 4.853 1.00 63.13 H new ATOM 0 HB2 TYR A 23 2.144 -7.292 2.795 1.00 72.34 H new ATOM 0 HB3 TYR A 23 2.181 -9.003 2.416 1.00 72.34 H new ATOM 0 HD1 TYR A 23 0.067 -6.400 4.102 1.00 71.12 H new ATOM 0 HD2 TYR A 23 0.111 -10.231 2.207 1.00 51.51 H new ATOM 0 HE1 TYR A 23 -2.377 -6.440 4.120 1.00 3.13 H new ATOM 0 HE2 TYR A 23 -2.347 -10.254 2.226 1.00 12.23 H new ATOM 0 HH TYR A 23 -4.213 -9.178 2.784 1.00 53.42 H new ATOM 379 N GLN A 24 4.676 -9.670 4.453 1.00 22.13 N ATOM 380 CA GLN A 24 6.140 -9.778 4.368 1.00 32.33 C ATOM 381 C GLN A 24 6.517 -9.983 2.892 1.00 73.42 C ATOM 382 O GLN A 24 6.265 -11.046 2.318 1.00 41.10 O ATOM 383 CB GLN A 24 6.667 -10.935 5.275 1.00 65.01 C ATOM 384 CG GLN A 24 6.574 -10.665 6.803 1.00 34.05 C ATOM 385 CD GLN A 24 5.141 -10.554 7.351 1.00 63.41 C ATOM 386 OE1 GLN A 24 4.217 -11.219 6.873 1.00 20.01 O ATOM 387 NE2 GLN A 24 4.939 -9.708 8.348 1.00 52.42 N ATOM 0 H GLN A 24 4.205 -10.565 4.588 1.00 22.13 H new ATOM 0 HA GLN A 24 6.610 -8.866 4.735 1.00 32.33 H new ATOM 0 HB2 GLN A 24 6.105 -11.841 5.046 1.00 65.01 H new ATOM 0 HB3 GLN A 24 7.708 -11.132 5.019 1.00 65.01 H new ATOM 0 HG2 GLN A 24 7.089 -11.467 7.332 1.00 34.05 H new ATOM 0 HG3 GLN A 24 7.107 -9.741 7.028 1.00 34.05 H new ATOM 0 HE21 GLN A 24 5.719 -9.170 8.726 1.00 52.42 H new ATOM 0 HE22 GLN A 24 4.004 -9.594 8.739 1.00 52.42 H new ATOM 396 N LEU A 25 7.102 -8.940 2.292 1.00 21.41 N ATOM 397 CA LEU A 25 7.430 -8.876 0.860 1.00 52.23 C ATOM 398 C LEU A 25 8.939 -8.638 0.705 1.00 13.43 C ATOM 399 O LEU A 25 9.433 -7.562 1.059 1.00 2.53 O ATOM 400 CB LEU A 25 6.628 -7.719 0.179 1.00 31.42 C ATOM 401 CG LEU A 25 5.068 -7.800 0.253 1.00 74.43 C ATOM 402 CD1 LEU A 25 4.413 -6.557 -0.389 1.00 12.44 C ATOM 403 CD2 LEU A 25 4.537 -9.105 -0.384 1.00 21.42 C ATOM 0 H LEU A 25 7.368 -8.096 2.799 1.00 21.41 H new ATOM 0 HA LEU A 25 7.158 -9.815 0.378 1.00 52.23 H new ATOM 0 HB2 LEU A 25 6.941 -6.778 0.631 1.00 31.42 H new ATOM 0 HB3 LEU A 25 6.916 -7.679 -0.871 1.00 31.42 H new ATOM 0 HG LEU A 25 4.791 -7.815 1.307 1.00 74.43 H new ATOM 0 HD11 LEU A 25 3.328 -6.642 -0.322 1.00 12.44 H new ATOM 0 HD12 LEU A 25 4.740 -5.661 0.138 1.00 12.44 H new ATOM 0 HD13 LEU A 25 4.708 -6.490 -1.436 1.00 12.44 H new ATOM 0 HD21 LEU A 25 3.449 -9.127 -0.315 1.00 21.42 H new ATOM 0 HD22 LEU A 25 4.835 -9.146 -1.432 1.00 21.42 H new ATOM 0 HD23 LEU A 25 4.952 -9.963 0.145 1.00 21.42 H new ATOM 415 N TYR A 26 9.678 -9.649 0.226 1.00 54.35 N ATOM 416 CA TYR A 26 11.110 -9.508 -0.093 1.00 23.51 C ATOM 417 C TYR A 26 11.284 -9.127 -1.576 1.00 2.21 C ATOM 418 O TYR A 26 10.655 -9.735 -2.447 1.00 4.00 O ATOM 419 CB TYR A 26 11.885 -10.819 0.228 1.00 24.23 C ATOM 420 CG TYR A 26 13.389 -10.726 -0.096 1.00 71.11 C ATOM 421 CD1 TYR A 26 14.234 -9.941 0.692 1.00 52.40 C ATOM 422 CD2 TYR A 26 13.955 -11.377 -1.201 1.00 3.32 C ATOM 423 CE1 TYR A 26 15.569 -9.808 0.399 1.00 54.32 C ATOM 424 CE2 TYR A 26 15.303 -11.249 -1.492 1.00 72.32 C ATOM 425 CZ TYR A 26 16.102 -10.460 -0.688 1.00 70.02 C ATOM 426 OH TYR A 26 17.442 -10.318 -0.974 1.00 22.44 O ATOM 0 H TYR A 26 9.305 -10.582 0.049 1.00 54.35 H new ATOM 0 HA TYR A 26 11.525 -8.714 0.528 1.00 23.51 H new ATOM 0 HB2 TYR A 26 11.761 -11.058 1.284 1.00 24.23 H new ATOM 0 HB3 TYR A 26 11.447 -11.641 -0.339 1.00 24.23 H new ATOM 0 HD1 TYR A 26 13.828 -9.427 1.551 1.00 52.40 H new ATOM 0 HD2 TYR A 26 13.330 -11.988 -1.835 1.00 3.32 H new ATOM 0 HE1 TYR A 26 16.200 -9.192 1.022 1.00 54.32 H new ATOM 0 HE2 TYR A 26 15.727 -11.763 -2.342 1.00 72.32 H new ATOM 0 HH TYR A 26 17.664 -10.842 -1.772 1.00 22.44 H new ATOM 436 N ALA A 27 12.153 -8.139 -1.854 1.00 53.11 N ATOM 437 CA ALA A 27 12.466 -7.694 -3.226 1.00 75.11 C ATOM 438 C ALA A 27 13.923 -7.242 -3.327 1.00 21.41 C ATOM 439 O ALA A 27 14.487 -6.728 -2.360 1.00 13.00 O ATOM 440 CB ALA A 27 11.535 -6.554 -3.654 1.00 11.12 C ATOM 0 H ALA A 27 12.660 -7.625 -1.133 1.00 53.11 H new ATOM 0 HA ALA A 27 12.313 -8.540 -3.896 1.00 75.11 H new ATOM 0 HB1 ALA A 27 11.784 -6.242 -4.668 1.00 11.12 H new ATOM 0 HB2 ALA A 27 10.501 -6.898 -3.624 1.00 11.12 H new ATOM 0 HB3 ALA A 27 11.657 -5.710 -2.975 1.00 11.12 H new ATOM 446 N VAL A 28 14.511 -7.440 -4.521 1.00 75.30 N ATOM 447 CA VAL A 28 15.872 -6.986 -4.851 1.00 23.42 C ATOM 448 C VAL A 28 15.860 -5.467 -5.113 1.00 35.22 C ATOM 449 O VAL A 28 16.592 -4.707 -4.478 1.00 41.52 O ATOM 450 CB VAL A 28 16.435 -7.752 -6.109 1.00 51.31 C ATOM 451 CG1 VAL A 28 17.839 -7.240 -6.515 1.00 62.20 C ATOM 452 CG2 VAL A 28 16.440 -9.284 -5.872 1.00 54.45 C ATOM 0 H VAL A 28 14.049 -7.925 -5.291 1.00 75.30 H new ATOM 0 HA VAL A 28 16.526 -7.203 -4.006 1.00 23.42 H new ATOM 0 HB VAL A 28 15.765 -7.544 -6.943 1.00 51.31 H new ATOM 0 HG11 VAL A 28 18.191 -7.794 -7.386 1.00 62.20 H new ATOM 0 HG12 VAL A 28 17.783 -6.179 -6.758 1.00 62.20 H new ATOM 0 HG13 VAL A 28 18.533 -7.386 -5.687 1.00 62.20 H new ATOM 0 HG21 VAL A 28 16.833 -9.788 -6.755 1.00 54.45 H new ATOM 0 HG22 VAL A 28 17.068 -9.517 -5.012 1.00 54.45 H new ATOM 0 HG23 VAL A 28 15.423 -9.626 -5.682 1.00 54.45 H new ATOM 462 N ARG A 29 15.021 -5.052 -6.078 1.00 64.21 N ATOM 463 CA ARG A 29 14.799 -3.630 -6.410 1.00 11.24 C ATOM 464 C ARG A 29 13.467 -3.151 -5.809 1.00 23.04 C ATOM 465 O ARG A 29 12.616 -3.968 -5.429 1.00 63.11 O ATOM 466 CB ARG A 29 14.749 -3.433 -7.954 1.00 23.20 C ATOM 467 CG ARG A 29 15.979 -3.945 -8.731 1.00 25.51 C ATOM 468 CD ARG A 29 15.824 -3.728 -10.249 1.00 41.35 C ATOM 469 NE ARG A 29 16.954 -4.261 -11.026 1.00 55.00 N ATOM 470 CZ ARG A 29 17.186 -3.997 -12.326 1.00 13.43 C ATOM 471 NH1 ARG A 29 16.373 -3.194 -13.025 1.00 62.03 N ATOM 472 NH2 ARG A 29 18.209 -4.578 -12.943 1.00 72.41 N ATOM 0 H ARG A 29 14.475 -5.694 -6.653 1.00 64.21 H new ATOM 0 HA ARG A 29 15.624 -3.051 -5.995 1.00 11.24 H new ATOM 0 HB2 ARG A 29 13.863 -3.938 -8.338 1.00 23.20 H new ATOM 0 HB3 ARG A 29 14.626 -2.370 -8.163 1.00 23.20 H new ATOM 0 HG2 ARG A 29 16.873 -3.430 -8.379 1.00 25.51 H new ATOM 0 HG3 ARG A 29 16.122 -5.006 -8.528 1.00 25.51 H new ATOM 0 HD2 ARG A 29 14.903 -4.203 -10.586 1.00 41.35 H new ATOM 0 HD3 ARG A 29 15.724 -2.661 -10.449 1.00 41.35 H new ATOM 0 HE ARG A 29 17.610 -4.876 -10.544 1.00 55.00 H new ATOM 0 HH11 ARG A 29 15.562 -2.771 -12.573 1.00 62.03 H new ATOM 0 HH12 ARG A 29 16.565 -3.006 -14.009 1.00 62.03 H new ATOM 0 HH21 ARG A 29 18.814 -5.221 -12.432 1.00 72.41 H new ATOM 0 HH22 ARG A 29 18.389 -4.381 -13.928 1.00 72.41 H new ATOM 486 N ASP A 30 13.288 -1.823 -5.762 1.00 50.40 N ATOM 487 CA ASP A 30 11.998 -1.193 -5.407 1.00 53.01 C ATOM 488 C ASP A 30 10.951 -1.418 -6.532 1.00 24.21 C ATOM 489 O ASP A 30 9.740 -1.451 -6.268 1.00 43.12 O ATOM 490 CB ASP A 30 12.192 0.324 -5.104 1.00 33.23 C ATOM 491 CG ASP A 30 12.935 1.112 -6.212 1.00 42.51 C ATOM 492 OD1 ASP A 30 12.385 1.291 -7.319 1.00 25.43 O ATOM 493 OD2 ASP A 30 14.085 1.555 -5.983 1.00 21.34 O ATOM 0 H ASP A 30 14.029 -1.153 -5.968 1.00 50.40 H new ATOM 0 HA ASP A 30 11.618 -1.666 -4.501 1.00 53.01 H new ATOM 0 HB2 ASP A 30 11.214 0.778 -4.947 1.00 33.23 H new ATOM 0 HB3 ASP A 30 12.745 0.427 -4.170 1.00 33.23 H new ATOM 498 N GLU A 31 11.451 -1.587 -7.783 1.00 40.25 N ATOM 499 CA GLU A 31 10.625 -1.888 -8.979 1.00 53.22 C ATOM 500 C GLU A 31 9.901 -3.235 -8.828 1.00 12.24 C ATOM 501 O GLU A 31 8.768 -3.406 -9.296 1.00 31.22 O ATOM 502 CB GLU A 31 11.500 -1.939 -10.260 1.00 40.11 C ATOM 503 CG GLU A 31 12.372 -0.699 -10.513 1.00 12.12 C ATOM 504 CD GLU A 31 13.087 -0.753 -11.873 1.00 34.43 C ATOM 505 OE1 GLU A 31 13.929 -1.655 -12.083 1.00 24.54 O ATOM 506 OE2 GLU A 31 12.796 0.085 -12.749 1.00 24.44 O ATOM 0 H GLU A 31 12.447 -1.517 -7.991 1.00 40.25 H new ATOM 0 HA GLU A 31 9.890 -1.088 -9.068 1.00 53.22 H new ATOM 0 HB2 GLU A 31 12.149 -2.813 -10.202 1.00 40.11 H new ATOM 0 HB3 GLU A 31 10.847 -2.084 -11.120 1.00 40.11 H new ATOM 0 HG2 GLU A 31 11.750 0.195 -10.468 1.00 12.12 H new ATOM 0 HG3 GLU A 31 13.114 -0.611 -9.719 1.00 12.12 H new ATOM 513 N GLU A 32 10.586 -4.186 -8.171 1.00 2.14 N ATOM 514 CA GLU A 32 10.064 -5.538 -7.952 1.00 0.34 C ATOM 515 C GLU A 32 8.911 -5.502 -6.935 1.00 22.41 C ATOM 516 O GLU A 32 7.996 -6.315 -7.002 1.00 45.03 O ATOM 517 CB GLU A 32 11.185 -6.486 -7.452 1.00 53.32 C ATOM 518 CG GLU A 32 12.510 -6.411 -8.237 1.00 62.41 C ATOM 519 CD GLU A 32 12.364 -6.620 -9.755 1.00 12.34 C ATOM 520 OE1 GLU A 32 12.147 -7.775 -10.187 1.00 1.14 O ATOM 521 OE2 GLU A 32 12.482 -5.636 -10.524 1.00 71.13 O ATOM 0 H GLU A 32 11.515 -4.036 -7.779 1.00 2.14 H new ATOM 0 HA GLU A 32 9.689 -5.919 -8.902 1.00 0.34 H new ATOM 0 HB2 GLU A 32 11.389 -6.261 -6.405 1.00 53.32 H new ATOM 0 HB3 GLU A 32 10.816 -7.511 -7.491 1.00 53.32 H new ATOM 0 HG2 GLU A 32 12.969 -5.438 -8.059 1.00 62.41 H new ATOM 0 HG3 GLU A 32 13.194 -7.163 -7.843 1.00 62.41 H new ATOM 528 N LEU A 33 8.964 -4.530 -6.002 1.00 43.22 N ATOM 529 CA LEU A 33 7.959 -4.385 -4.931 1.00 14.32 C ATOM 530 C LEU A 33 6.643 -3.777 -5.490 1.00 12.51 C ATOM 531 O LEU A 33 5.584 -3.972 -4.896 1.00 43.34 O ATOM 532 CB LEU A 33 8.538 -3.528 -3.745 1.00 32.31 C ATOM 533 CG LEU A 33 8.168 -3.989 -2.280 1.00 72.45 C ATOM 534 CD1 LEU A 33 6.661 -3.905 -1.968 1.00 22.41 C ATOM 535 CD2 LEU A 33 8.695 -5.410 -1.987 1.00 21.32 C ATOM 0 H LEU A 33 9.702 -3.826 -5.970 1.00 43.22 H new ATOM 0 HA LEU A 33 7.721 -5.374 -4.539 1.00 14.32 H new ATOM 0 HB2 LEU A 33 9.624 -3.518 -3.833 1.00 32.31 H new ATOM 0 HB3 LEU A 33 8.199 -2.500 -3.873 1.00 32.31 H new ATOM 0 HG LEU A 33 8.665 -3.279 -1.619 1.00 72.45 H new ATOM 0 HD11 LEU A 33 6.482 -4.237 -0.945 1.00 22.41 H new ATOM 0 HD12 LEU A 33 6.323 -2.875 -2.079 1.00 22.41 H new ATOM 0 HD13 LEU A 33 6.110 -4.544 -2.658 1.00 22.41 H new ATOM 0 HD21 LEU A 33 8.423 -5.696 -0.971 1.00 21.32 H new ATOM 0 HD22 LEU A 33 8.254 -6.114 -2.693 1.00 21.32 H new ATOM 0 HD23 LEU A 33 9.780 -5.424 -2.090 1.00 21.32 H new ATOM 547 N LYS A 34 6.723 -3.070 -6.644 1.00 64.13 N ATOM 548 CA LYS A 34 5.542 -2.439 -7.290 1.00 32.03 C ATOM 549 C LYS A 34 4.448 -3.486 -7.594 1.00 1.41 C ATOM 550 O LYS A 34 3.302 -3.347 -7.152 1.00 44.42 O ATOM 551 CB LYS A 34 5.935 -1.716 -8.609 1.00 30.34 C ATOM 552 CG LYS A 34 6.950 -0.570 -8.448 1.00 61.25 C ATOM 553 CD LYS A 34 7.291 0.116 -9.794 1.00 31.03 C ATOM 554 CE LYS A 34 6.065 0.773 -10.456 1.00 63.55 C ATOM 555 NZ LYS A 34 6.386 1.352 -11.791 1.00 51.12 N ATOM 0 H LYS A 34 7.596 -2.921 -7.149 1.00 64.13 H new ATOM 0 HA LYS A 34 5.151 -1.704 -6.586 1.00 32.03 H new ATOM 0 HB2 LYS A 34 6.348 -2.452 -9.299 1.00 30.34 H new ATOM 0 HB3 LYS A 34 5.031 -1.318 -9.070 1.00 30.34 H new ATOM 0 HG2 LYS A 34 6.549 0.172 -7.758 1.00 61.25 H new ATOM 0 HG3 LYS A 34 7.865 -0.960 -8.001 1.00 61.25 H new ATOM 0 HD2 LYS A 34 8.057 0.873 -9.627 1.00 31.03 H new ATOM 0 HD3 LYS A 34 7.715 -0.622 -10.476 1.00 31.03 H new ATOM 0 HE2 LYS A 34 5.273 0.032 -10.565 1.00 63.55 H new ATOM 0 HE3 LYS A 34 5.680 1.558 -9.805 1.00 63.55 H new ATOM 0 HZ1 LYS A 34 5.531 1.783 -12.197 1.00 51.12 H new ATOM 0 HZ2 LYS A 34 7.123 2.078 -11.686 1.00 51.12 H new ATOM 0 HZ3 LYS A 34 6.728 0.600 -12.422 1.00 51.12 H new ATOM 569 N GLU A 35 4.837 -4.535 -8.348 1.00 2.11 N ATOM 570 CA GLU A 35 3.929 -5.629 -8.729 1.00 23.50 C ATOM 571 C GLU A 35 3.394 -6.391 -7.505 1.00 61.43 C ATOM 572 O GLU A 35 2.271 -6.887 -7.541 1.00 73.33 O ATOM 573 CB GLU A 35 4.606 -6.576 -9.777 1.00 63.43 C ATOM 574 CG GLU A 35 5.973 -7.219 -9.386 1.00 74.12 C ATOM 575 CD GLU A 35 5.903 -8.526 -8.553 1.00 23.44 C ATOM 576 OE1 GLU A 35 4.803 -9.117 -8.402 1.00 70.53 O ATOM 577 OE2 GLU A 35 6.969 -8.993 -8.080 1.00 24.23 O ATOM 0 H GLU A 35 5.786 -4.644 -8.707 1.00 2.11 H new ATOM 0 HA GLU A 35 3.057 -5.185 -9.209 1.00 23.50 H new ATOM 0 HB2 GLU A 35 3.908 -7.381 -10.004 1.00 63.43 H new ATOM 0 HB3 GLU A 35 4.751 -6.011 -10.698 1.00 63.43 H new ATOM 0 HG2 GLU A 35 6.528 -7.425 -10.301 1.00 74.12 H new ATOM 0 HG3 GLU A 35 6.548 -6.484 -8.823 1.00 74.12 H new ATOM 584 N LYS A 36 4.200 -6.447 -6.417 1.00 31.23 N ATOM 585 CA LYS A 36 3.820 -7.133 -5.161 1.00 23.22 C ATOM 586 C LYS A 36 2.714 -6.362 -4.431 1.00 70.41 C ATOM 587 O LYS A 36 1.800 -6.968 -3.887 1.00 73.14 O ATOM 588 CB LYS A 36 5.048 -7.307 -4.230 1.00 13.31 C ATOM 589 CG LYS A 36 6.215 -8.035 -4.907 1.00 75.33 C ATOM 590 CD LYS A 36 7.416 -8.296 -3.982 1.00 45.21 C ATOM 591 CE LYS A 36 8.619 -8.853 -4.759 1.00 64.02 C ATOM 592 NZ LYS A 36 8.271 -10.075 -5.529 1.00 50.43 N ATOM 0 H LYS A 36 5.126 -6.020 -6.386 1.00 31.23 H new ATOM 0 HA LYS A 36 3.442 -8.121 -5.425 1.00 23.22 H new ATOM 0 HB2 LYS A 36 5.385 -6.326 -3.895 1.00 13.31 H new ATOM 0 HB3 LYS A 36 4.747 -7.862 -3.341 1.00 13.31 H new ATOM 0 HG2 LYS A 36 5.857 -8.988 -5.297 1.00 75.33 H new ATOM 0 HG3 LYS A 36 6.550 -7.446 -5.761 1.00 75.33 H new ATOM 0 HD2 LYS A 36 7.701 -7.369 -3.485 1.00 45.21 H new ATOM 0 HD3 LYS A 36 7.128 -9.001 -3.202 1.00 45.21 H new ATOM 0 HE2 LYS A 36 8.994 -8.090 -5.441 1.00 64.02 H new ATOM 0 HE3 LYS A 36 9.425 -9.082 -4.062 1.00 64.02 H new ATOM 0 HZ1 LYS A 36 9.139 -10.603 -5.754 1.00 50.43 H new ATOM 0 HZ2 LYS A 36 7.638 -10.674 -4.962 1.00 50.43 H new ATOM 0 HZ3 LYS A 36 7.792 -9.805 -6.412 1.00 50.43 H new ATOM 606 N LEU A 37 2.827 -5.020 -4.429 1.00 32.20 N ATOM 607 CA LEU A 37 1.791 -4.125 -3.884 1.00 51.14 C ATOM 608 C LEU A 37 0.475 -4.278 -4.660 1.00 24.23 C ATOM 609 O LEU A 37 -0.592 -4.268 -4.057 1.00 4.33 O ATOM 610 CB LEU A 37 2.265 -2.650 -3.905 1.00 30.12 C ATOM 611 CG LEU A 37 3.445 -2.310 -2.951 1.00 23.15 C ATOM 612 CD1 LEU A 37 3.915 -0.861 -3.148 1.00 53.33 C ATOM 613 CD2 LEU A 37 3.071 -2.588 -1.476 1.00 4.50 C ATOM 0 H LEU A 37 3.638 -4.528 -4.805 1.00 32.20 H new ATOM 0 HA LEU A 37 1.614 -4.411 -2.847 1.00 51.14 H new ATOM 0 HB2 LEU A 37 2.560 -2.396 -4.923 1.00 30.12 H new ATOM 0 HB3 LEU A 37 1.419 -2.012 -3.650 1.00 30.12 H new ATOM 0 HG LEU A 37 4.279 -2.964 -3.205 1.00 23.15 H new ATOM 0 HD11 LEU A 37 4.741 -0.651 -2.468 1.00 53.33 H new ATOM 0 HD12 LEU A 37 4.248 -0.723 -4.177 1.00 53.33 H new ATOM 0 HD13 LEU A 37 3.090 -0.179 -2.939 1.00 53.33 H new ATOM 0 HD21 LEU A 37 3.916 -2.341 -0.834 1.00 4.50 H new ATOM 0 HD22 LEU A 37 2.212 -1.977 -1.197 1.00 4.50 H new ATOM 0 HD23 LEU A 37 2.821 -3.642 -1.357 1.00 4.50 H new ATOM 625 N LYS A 38 0.565 -4.423 -5.999 1.00 40.04 N ATOM 626 CA LYS A 38 -0.607 -4.682 -6.861 1.00 62.24 C ATOM 627 C LYS A 38 -1.256 -6.049 -6.539 1.00 34.54 C ATOM 628 O LYS A 38 -2.483 -6.161 -6.550 1.00 32.13 O ATOM 629 CB LYS A 38 -0.192 -4.595 -8.354 1.00 23.02 C ATOM 630 CG LYS A 38 0.355 -3.210 -8.757 1.00 41.12 C ATOM 631 CD LYS A 38 0.867 -3.135 -10.213 1.00 53.04 C ATOM 632 CE LYS A 38 1.491 -1.767 -10.542 1.00 61.25 C ATOM 633 NZ LYS A 38 2.046 -1.714 -11.924 1.00 50.10 N ATOM 0 H LYS A 38 1.446 -4.364 -6.510 1.00 40.04 H new ATOM 0 HA LYS A 38 -1.358 -3.918 -6.661 1.00 62.24 H new ATOM 0 HB2 LYS A 38 0.567 -5.351 -8.557 1.00 23.02 H new ATOM 0 HB3 LYS A 38 -1.054 -4.833 -8.978 1.00 23.02 H new ATOM 0 HG2 LYS A 38 -0.431 -2.467 -8.620 1.00 41.12 H new ATOM 0 HG3 LYS A 38 1.168 -2.942 -8.083 1.00 41.12 H new ATOM 0 HD2 LYS A 38 1.607 -3.918 -10.377 1.00 53.04 H new ATOM 0 HD3 LYS A 38 0.041 -3.329 -10.897 1.00 53.04 H new ATOM 0 HE2 LYS A 38 0.736 -0.989 -10.426 1.00 61.25 H new ATOM 0 HE3 LYS A 38 2.284 -1.551 -9.826 1.00 61.25 H new ATOM 0 HZ1 LYS A 38 2.901 -1.122 -11.932 1.00 50.10 H new ATOM 0 HZ2 LYS A 38 2.288 -2.675 -12.238 1.00 50.10 H new ATOM 0 HZ3 LYS A 38 1.337 -1.308 -12.567 1.00 50.10 H new ATOM 647 N LYS A 39 -0.423 -7.079 -6.229 1.00 73.05 N ATOM 648 CA LYS A 39 -0.924 -8.409 -5.789 1.00 45.24 C ATOM 649 C LYS A 39 -1.693 -8.271 -4.459 1.00 52.20 C ATOM 650 O LYS A 39 -2.864 -8.632 -4.378 1.00 64.23 O ATOM 651 CB LYS A 39 0.220 -9.455 -5.599 1.00 51.32 C ATOM 652 CG LYS A 39 1.129 -9.705 -6.823 1.00 70.52 C ATOM 653 CD LYS A 39 0.362 -10.109 -8.104 1.00 24.11 C ATOM 654 CE LYS A 39 1.305 -10.327 -9.305 1.00 0.32 C ATOM 655 NZ LYS A 39 2.125 -9.120 -9.599 1.00 53.13 N ATOM 0 H LYS A 39 0.594 -7.014 -6.276 1.00 73.05 H new ATOM 0 HA LYS A 39 -1.581 -8.770 -6.581 1.00 45.24 H new ATOM 0 HB2 LYS A 39 0.846 -9.130 -4.768 1.00 51.32 H new ATOM 0 HB3 LYS A 39 -0.229 -10.404 -5.307 1.00 51.32 H new ATOM 0 HG2 LYS A 39 1.704 -8.802 -7.026 1.00 70.52 H new ATOM 0 HG3 LYS A 39 1.844 -10.490 -6.577 1.00 70.52 H new ATOM 0 HD2 LYS A 39 -0.200 -11.024 -7.915 1.00 24.11 H new ATOM 0 HD3 LYS A 39 -0.364 -9.334 -8.350 1.00 24.11 H new ATOM 0 HE2 LYS A 39 1.964 -11.171 -9.100 1.00 0.32 H new ATOM 0 HE3 LYS A 39 0.717 -10.588 -10.185 1.00 0.32 H new ATOM 0 HZ1 LYS A 39 2.139 -8.952 -10.625 1.00 53.13 H new ATOM 0 HZ2 LYS A 39 1.713 -8.295 -9.118 1.00 53.13 H new ATOM 0 HZ3 LYS A 39 3.097 -9.269 -9.259 1.00 53.13 H new ATOM 669 N VAL A 40 -1.002 -7.694 -3.450 1.00 23.34 N ATOM 670 CA VAL A 40 -1.522 -7.486 -2.082 1.00 71.03 C ATOM 671 C VAL A 40 -2.853 -6.709 -2.090 1.00 43.22 C ATOM 672 O VAL A 40 -3.824 -7.148 -1.478 1.00 73.15 O ATOM 673 CB VAL A 40 -0.452 -6.738 -1.181 1.00 32.24 C ATOM 674 CG1 VAL A 40 -1.041 -6.278 0.170 1.00 24.44 C ATOM 675 CG2 VAL A 40 0.798 -7.623 -0.944 1.00 75.03 C ATOM 0 H VAL A 40 -0.048 -7.353 -3.568 1.00 23.34 H new ATOM 0 HA VAL A 40 -1.714 -8.470 -1.655 1.00 71.03 H new ATOM 0 HB VAL A 40 -0.153 -5.846 -1.732 1.00 32.24 H new ATOM 0 HG11 VAL A 40 -0.269 -5.772 0.750 1.00 24.44 H new ATOM 0 HG12 VAL A 40 -1.869 -5.592 -0.009 1.00 24.44 H new ATOM 0 HG13 VAL A 40 -1.401 -7.145 0.724 1.00 24.44 H new ATOM 0 HG21 VAL A 40 1.513 -7.083 -0.323 1.00 75.03 H new ATOM 0 HG22 VAL A 40 0.502 -8.543 -0.440 1.00 75.03 H new ATOM 0 HG23 VAL A 40 1.259 -7.866 -1.902 1.00 75.03 H new ATOM 685 N LEU A 41 -2.881 -5.583 -2.824 1.00 43.04 N ATOM 686 CA LEU A 41 -4.046 -4.685 -2.882 1.00 55.21 C ATOM 687 C LEU A 41 -5.249 -5.361 -3.563 1.00 23.02 C ATOM 688 O LEU A 41 -6.343 -5.291 -3.038 1.00 64.45 O ATOM 689 CB LEU A 41 -3.673 -3.336 -3.575 1.00 61.13 C ATOM 690 CG LEU A 41 -2.874 -2.325 -2.681 1.00 44.53 C ATOM 691 CD1 LEU A 41 -2.275 -1.178 -3.516 1.00 10.04 C ATOM 692 CD2 LEU A 41 -3.765 -1.773 -1.544 1.00 73.11 C ATOM 0 H LEU A 41 -2.095 -5.270 -3.394 1.00 43.04 H new ATOM 0 HA LEU A 41 -4.346 -4.461 -1.858 1.00 55.21 H new ATOM 0 HB2 LEU A 41 -3.083 -3.554 -4.465 1.00 61.13 H new ATOM 0 HB3 LEU A 41 -4.590 -2.853 -3.911 1.00 61.13 H new ATOM 0 HG LEU A 41 -2.044 -2.870 -2.232 1.00 44.53 H new ATOM 0 HD11 LEU A 41 -1.729 -0.498 -2.862 1.00 10.04 H new ATOM 0 HD12 LEU A 41 -1.595 -1.588 -4.262 1.00 10.04 H new ATOM 0 HD13 LEU A 41 -3.077 -0.635 -4.016 1.00 10.04 H new ATOM 0 HD21 LEU A 41 -3.189 -1.074 -0.937 1.00 73.11 H new ATOM 0 HD22 LEU A 41 -4.625 -1.258 -1.973 1.00 73.11 H new ATOM 0 HD23 LEU A 41 -4.110 -2.597 -0.919 1.00 73.11 H new ATOM 704 N ASN A 42 -5.029 -6.037 -4.706 1.00 62.21 N ATOM 705 CA ASN A 42 -6.120 -6.725 -5.447 1.00 10.53 C ATOM 706 C ASN A 42 -6.715 -7.912 -4.647 1.00 54.34 C ATOM 707 O ASN A 42 -7.943 -8.073 -4.609 1.00 72.43 O ATOM 708 CB ASN A 42 -5.620 -7.173 -6.851 1.00 2.32 C ATOM 709 CG ASN A 42 -5.380 -5.990 -7.807 1.00 13.41 C ATOM 710 OD1 ASN A 42 -6.070 -4.966 -7.749 1.00 53.21 O ATOM 711 ND2 ASN A 42 -4.402 -6.110 -8.688 1.00 20.42 N ATOM 0 H ASN A 42 -4.111 -6.125 -5.141 1.00 62.21 H new ATOM 0 HA ASN A 42 -6.932 -6.010 -5.583 1.00 10.53 H new ATOM 0 HB2 ASN A 42 -4.694 -7.736 -6.739 1.00 2.32 H new ATOM 0 HB3 ASN A 42 -6.352 -7.848 -7.293 1.00 2.32 H new ATOM 0 HD21 ASN A 42 -4.204 -5.349 -9.337 1.00 20.42 H new ATOM 0 HD22 ASN A 42 -3.845 -6.964 -8.718 1.00 20.42 H new ATOM 718 N GLU A 43 -5.846 -8.716 -3.995 1.00 21.01 N ATOM 719 CA GLU A 43 -6.277 -9.853 -3.141 1.00 10.33 C ATOM 720 C GLU A 43 -7.099 -9.349 -1.941 1.00 25.03 C ATOM 721 O GLU A 43 -8.216 -9.821 -1.682 1.00 50.43 O ATOM 722 CB GLU A 43 -5.049 -10.658 -2.630 1.00 23.22 C ATOM 723 CG GLU A 43 -4.257 -11.415 -3.715 1.00 52.44 C ATOM 724 CD GLU A 43 -5.078 -12.504 -4.429 1.00 2.42 C ATOM 725 OE1 GLU A 43 -5.340 -13.564 -3.810 1.00 14.24 O ATOM 726 OE2 GLU A 43 -5.462 -12.316 -5.605 1.00 12.22 O ATOM 0 H GLU A 43 -4.834 -8.600 -4.043 1.00 21.01 H new ATOM 0 HA GLU A 43 -6.900 -10.509 -3.750 1.00 10.33 H new ATOM 0 HB2 GLU A 43 -4.372 -9.972 -2.122 1.00 23.22 H new ATOM 0 HB3 GLU A 43 -5.391 -11.377 -1.886 1.00 23.22 H new ATOM 0 HG2 GLU A 43 -3.896 -10.700 -4.455 1.00 52.44 H new ATOM 0 HG3 GLU A 43 -3.379 -11.873 -3.259 1.00 52.44 H new ATOM 733 N ARG A 44 -6.524 -8.361 -1.243 1.00 42.43 N ATOM 734 CA ARG A 44 -7.096 -7.754 -0.035 1.00 42.33 C ATOM 735 C ARG A 44 -8.427 -7.042 -0.341 1.00 53.20 C ATOM 736 O ARG A 44 -9.395 -7.156 0.420 1.00 32.45 O ATOM 737 CB ARG A 44 -6.066 -6.758 0.557 1.00 22.13 C ATOM 738 CG ARG A 44 -6.522 -5.993 1.810 1.00 73.30 C ATOM 739 CD ARG A 44 -6.847 -6.909 3.007 1.00 14.14 C ATOM 740 NE ARG A 44 -7.029 -6.110 4.221 1.00 24.53 N ATOM 741 CZ ARG A 44 -6.043 -5.727 5.036 1.00 53.34 C ATOM 742 NH1 ARG A 44 -4.779 -6.089 4.821 1.00 41.22 N ATOM 743 NH2 ARG A 44 -6.319 -4.923 6.031 1.00 35.31 N ATOM 0 H ARG A 44 -5.628 -7.953 -1.509 1.00 42.43 H new ATOM 0 HA ARG A 44 -7.311 -8.538 0.691 1.00 42.33 H new ATOM 0 HB2 ARG A 44 -5.156 -7.307 0.800 1.00 22.13 H new ATOM 0 HB3 ARG A 44 -5.805 -6.033 -0.214 1.00 22.13 H new ATOM 0 HG2 ARG A 44 -5.741 -5.291 2.102 1.00 73.30 H new ATOM 0 HG3 ARG A 44 -7.405 -5.403 1.564 1.00 73.30 H new ATOM 0 HD2 ARG A 44 -7.751 -7.482 2.801 1.00 14.14 H new ATOM 0 HD3 ARG A 44 -6.041 -7.628 3.154 1.00 14.14 H new ATOM 0 HE ARG A 44 -7.978 -5.825 4.461 1.00 24.53 H new ATOM 0 HH11 ARG A 44 -4.545 -6.673 4.018 1.00 41.22 H new ATOM 0 HH12 ARG A 44 -4.045 -5.782 5.459 1.00 41.22 H new ATOM 0 HH21 ARG A 44 -7.275 -4.599 6.174 1.00 35.31 H new ATOM 0 HH22 ARG A 44 -5.578 -4.621 6.663 1.00 35.31 H new ATOM 757 N MET A 45 -8.466 -6.323 -1.477 1.00 43.14 N ATOM 758 CA MET A 45 -9.618 -5.495 -1.857 1.00 23.21 C ATOM 759 C MET A 45 -10.623 -6.248 -2.733 1.00 2.13 C ATOM 760 O MET A 45 -11.570 -5.632 -3.230 1.00 2.03 O ATOM 761 CB MET A 45 -9.167 -4.174 -2.541 1.00 14.13 C ATOM 762 CG MET A 45 -8.376 -3.220 -1.628 1.00 74.41 C ATOM 763 SD MET A 45 -8.288 -1.546 -2.292 1.00 51.33 S ATOM 764 CE MET A 45 -10.022 -1.062 -2.298 1.00 21.32 C ATOM 0 H MET A 45 -7.702 -6.301 -2.153 1.00 43.14 H new ATOM 0 HA MET A 45 -10.132 -5.242 -0.930 1.00 23.21 H new ATOM 0 HB2 MET A 45 -8.553 -4.420 -3.408 1.00 14.13 H new ATOM 0 HB3 MET A 45 -10.049 -3.653 -2.913 1.00 14.13 H new ATOM 0 HG2 MET A 45 -8.843 -3.193 -0.644 1.00 74.41 H new ATOM 0 HG3 MET A 45 -7.366 -3.607 -1.491 1.00 74.41 H new ATOM 0 HE1 MET A 45 -10.100 0.010 -2.479 1.00 21.32 H new ATOM 0 HE2 MET A 45 -10.548 -1.602 -3.086 1.00 21.32 H new ATOM 0 HE3 MET A 45 -10.470 -1.301 -1.333 1.00 21.32 H new ATOM 774 N ASP A 46 -10.448 -7.569 -2.910 1.00 4.34 N ATOM 775 CA ASP A 46 -11.432 -8.398 -3.633 1.00 64.43 C ATOM 776 C ASP A 46 -12.717 -8.634 -2.783 1.00 61.42 C ATOM 777 O ASP A 46 -13.815 -8.359 -3.285 1.00 75.44 O ATOM 778 CB ASP A 46 -10.829 -9.730 -4.146 1.00 41.54 C ATOM 779 CG ASP A 46 -11.795 -10.467 -5.093 1.00 30.14 C ATOM 780 OD1 ASP A 46 -11.838 -10.118 -6.292 1.00 51.42 O ATOM 781 OD2 ASP A 46 -12.525 -11.380 -4.640 1.00 12.31 O ATOM 0 H ASP A 46 -9.639 -8.085 -2.565 1.00 4.34 H new ATOM 0 HA ASP A 46 -11.723 -7.833 -4.518 1.00 64.43 H new ATOM 0 HB2 ASP A 46 -9.893 -9.529 -4.666 1.00 41.54 H new ATOM 0 HB3 ASP A 46 -10.591 -10.372 -3.298 1.00 41.54 H new ATOM 786 N PRO A 47 -12.635 -9.102 -1.478 1.00 55.34 N ATOM 787 CA PRO A 47 -13.847 -9.221 -0.616 1.00 75.11 C ATOM 788 C PRO A 47 -14.413 -7.836 -0.222 1.00 31.44 C ATOM 789 O PRO A 47 -15.560 -7.725 0.204 1.00 20.45 O ATOM 790 CB PRO A 47 -13.338 -10.009 0.614 1.00 33.13 C ATOM 791 CG PRO A 47 -11.882 -9.663 0.696 1.00 30.32 C ATOM 792 CD PRO A 47 -11.413 -9.552 -0.738 1.00 54.41 C ATOM 0 HA PRO A 47 -14.676 -9.718 -1.120 1.00 75.11 H new ATOM 0 HB2 PRO A 47 -13.868 -9.718 1.521 1.00 33.13 H new ATOM 0 HB3 PRO A 47 -13.486 -11.082 0.489 1.00 33.13 H new ATOM 0 HG2 PRO A 47 -11.731 -8.726 1.232 1.00 30.32 H new ATOM 0 HG3 PRO A 47 -11.325 -10.431 1.233 1.00 30.32 H new ATOM 0 HD2 PRO A 47 -10.598 -8.835 -0.838 1.00 54.41 H new ATOM 0 HD3 PRO A 47 -11.046 -10.507 -1.114 1.00 54.41 H new ATOM 800 N ILE A 48 -13.577 -6.791 -0.396 1.00 42.14 N ATOM 801 CA ILE A 48 -13.943 -5.386 -0.163 1.00 73.11 C ATOM 802 C ILE A 48 -14.894 -4.883 -1.285 1.00 62.42 C ATOM 803 O ILE A 48 -15.787 -4.059 -1.026 1.00 5.33 O ATOM 804 CB ILE A 48 -12.641 -4.508 -0.066 1.00 64.51 C ATOM 805 CG1 ILE A 48 -11.717 -4.989 1.112 1.00 43.53 C ATOM 806 CG2 ILE A 48 -12.932 -2.997 0.040 1.00 14.04 C ATOM 807 CD1 ILE A 48 -12.310 -4.910 2.510 1.00 2.22 C ATOM 0 H ILE A 48 -12.613 -6.907 -0.708 1.00 42.14 H new ATOM 0 HA ILE A 48 -14.479 -5.301 0.782 1.00 73.11 H new ATOM 0 HB ILE A 48 -12.108 -4.652 -1.006 1.00 64.51 H new ATOM 0 HG12 ILE A 48 -11.429 -6.023 0.921 1.00 43.53 H new ATOM 0 HG13 ILE A 48 -10.803 -4.395 1.094 1.00 43.53 H new ATOM 0 HG21 ILE A 48 -11.992 -2.449 0.104 1.00 14.04 H new ATOM 0 HG22 ILE A 48 -13.484 -2.670 -0.841 1.00 14.04 H new ATOM 0 HG23 ILE A 48 -13.526 -2.803 0.933 1.00 14.04 H new ATOM 0 HD11 ILE A 48 -11.580 -5.268 3.236 1.00 2.22 H new ATOM 0 HD12 ILE A 48 -12.570 -3.876 2.737 1.00 2.22 H new ATOM 0 HD13 ILE A 48 -13.206 -5.529 2.561 1.00 2.22 H new ATOM 819 N LYS A 49 -14.715 -5.409 -2.534 1.00 1.25 N ATOM 820 CA LYS A 49 -15.663 -5.165 -3.652 1.00 44.13 C ATOM 821 C LYS A 49 -17.044 -5.743 -3.287 1.00 33.40 C ATOM 822 O LYS A 49 -18.075 -5.135 -3.554 1.00 64.14 O ATOM 823 CB LYS A 49 -15.190 -5.835 -4.977 1.00 2.53 C ATOM 824 CG LYS A 49 -13.774 -5.471 -5.456 1.00 13.33 C ATOM 825 CD LYS A 49 -13.342 -6.299 -6.693 1.00 44.43 C ATOM 826 CE LYS A 49 -11.913 -5.981 -7.167 1.00 73.14 C ATOM 827 NZ LYS A 49 -10.892 -6.233 -6.117 1.00 71.22 N ATOM 0 H LYS A 49 -13.924 -6.002 -2.785 1.00 1.25 H new ATOM 0 HA LYS A 49 -15.713 -4.087 -3.806 1.00 44.13 H new ATOM 0 HB2 LYS A 49 -15.241 -6.916 -4.851 1.00 2.53 H new ATOM 0 HB3 LYS A 49 -15.896 -5.572 -5.765 1.00 2.53 H new ATOM 0 HG2 LYS A 49 -13.737 -4.409 -5.701 1.00 13.33 H new ATOM 0 HG3 LYS A 49 -13.065 -5.636 -4.645 1.00 13.33 H new ATOM 0 HD2 LYS A 49 -13.411 -7.360 -6.454 1.00 44.43 H new ATOM 0 HD3 LYS A 49 -14.039 -6.111 -7.510 1.00 44.43 H new ATOM 0 HE2 LYS A 49 -11.683 -6.585 -8.045 1.00 73.14 H new ATOM 0 HE3 LYS A 49 -11.861 -4.937 -7.476 1.00 73.14 H new ATOM 0 HZ1 LYS A 49 -10.019 -5.718 -6.351 1.00 71.22 H new ATOM 0 HZ2 LYS A 49 -11.251 -5.905 -5.198 1.00 71.22 H new ATOM 0 HZ3 LYS A 49 -10.690 -7.252 -6.066 1.00 71.22 H new ATOM 841 N LYS A 50 -17.017 -6.946 -2.673 1.00 1.44 N ATOM 842 CA LYS A 50 -18.219 -7.665 -2.203 1.00 31.44 C ATOM 843 C LYS A 50 -18.914 -6.893 -1.061 1.00 5.33 C ATOM 844 O LYS A 50 -20.147 -6.929 -0.940 1.00 41.12 O ATOM 845 CB LYS A 50 -17.805 -9.120 -1.798 1.00 21.34 C ATOM 846 CG LYS A 50 -18.932 -10.094 -1.320 1.00 4.12 C ATOM 847 CD LYS A 50 -19.293 -9.972 0.185 1.00 35.11 C ATOM 848 CE LYS A 50 -18.098 -10.248 1.117 1.00 2.31 C ATOM 849 NZ LYS A 50 -17.639 -11.657 1.036 1.00 43.51 N ATOM 0 H LYS A 50 -16.150 -7.450 -2.488 1.00 1.44 H new ATOM 0 HA LYS A 50 -18.957 -7.733 -3.002 1.00 31.44 H new ATOM 0 HB2 LYS A 50 -17.308 -9.577 -2.654 1.00 21.34 H new ATOM 0 HB3 LYS A 50 -17.065 -9.048 -1.001 1.00 21.34 H new ATOM 0 HG2 LYS A 50 -19.829 -9.910 -1.912 1.00 4.12 H new ATOM 0 HG3 LYS A 50 -18.620 -11.118 -1.524 1.00 4.12 H new ATOM 0 HD2 LYS A 50 -19.675 -8.970 0.381 1.00 35.11 H new ATOM 0 HD3 LYS A 50 -20.097 -10.671 0.418 1.00 35.11 H new ATOM 0 HE2 LYS A 50 -17.274 -9.584 0.856 1.00 2.31 H new ATOM 0 HE3 LYS A 50 -18.380 -10.018 2.144 1.00 2.31 H new ATOM 0 HZ1 LYS A 50 -16.834 -11.797 1.679 1.00 43.51 H new ATOM 0 HZ2 LYS A 50 -18.416 -12.292 1.310 1.00 43.51 H new ATOM 0 HZ3 LYS A 50 -17.345 -11.871 0.062 1.00 43.51 H new ATOM 863 N LEU A 51 -18.121 -6.184 -0.235 1.00 22.21 N ATOM 864 CA LEU A 51 -18.661 -5.322 0.834 1.00 40.52 C ATOM 865 C LEU A 51 -19.343 -4.081 0.221 1.00 63.34 C ATOM 866 O LEU A 51 -20.311 -3.560 0.785 1.00 40.33 O ATOM 867 CB LEU A 51 -17.549 -4.911 1.836 1.00 74.12 C ATOM 868 CG LEU A 51 -16.908 -6.070 2.665 1.00 53.31 C ATOM 869 CD1 LEU A 51 -15.830 -5.532 3.624 1.00 62.24 C ATOM 870 CD2 LEU A 51 -17.978 -6.889 3.422 1.00 43.54 C ATOM 0 H LEU A 51 -17.102 -6.191 -0.288 1.00 22.21 H new ATOM 0 HA LEU A 51 -19.408 -5.888 1.390 1.00 40.52 H new ATOM 0 HB2 LEU A 51 -16.757 -4.407 1.282 1.00 74.12 H new ATOM 0 HB3 LEU A 51 -17.966 -4.182 2.531 1.00 74.12 H new ATOM 0 HG LEU A 51 -16.422 -6.747 1.963 1.00 53.31 H new ATOM 0 HD11 LEU A 51 -15.400 -6.359 4.189 1.00 62.24 H new ATOM 0 HD12 LEU A 51 -15.046 -5.038 3.050 1.00 62.24 H new ATOM 0 HD13 LEU A 51 -16.280 -4.817 4.313 1.00 62.24 H new ATOM 0 HD21 LEU A 51 -17.494 -7.686 3.987 1.00 43.54 H new ATOM 0 HD22 LEU A 51 -18.519 -6.236 4.107 1.00 43.54 H new ATOM 0 HD23 LEU A 51 -18.676 -7.324 2.707 1.00 43.54 H new ATOM 882 N GLY A 52 -18.825 -3.645 -0.945 1.00 10.15 N ATOM 883 CA GLY A 52 -19.467 -2.623 -1.771 1.00 11.43 C ATOM 884 C GLY A 52 -19.390 -1.228 -1.175 1.00 14.43 C ATOM 885 O GLY A 52 -20.422 -0.589 -0.939 1.00 52.10 O ATOM 0 H GLY A 52 -17.950 -3.996 -1.333 1.00 10.15 H new ATOM 0 HA2 GLY A 52 -18.999 -2.616 -2.755 1.00 11.43 H new ATOM 0 HA3 GLY A 52 -20.514 -2.890 -1.918 1.00 11.43 H new ATOM 889 N CYS A 53 -18.164 -0.765 -0.905 1.00 24.54 N ATOM 890 CA CYS A 53 -17.925 0.582 -0.375 1.00 45.21 C ATOM 891 C CYS A 53 -17.763 1.607 -1.508 1.00 62.02 C ATOM 892 O CYS A 53 -16.941 1.419 -2.413 1.00 34.54 O ATOM 893 CB CYS A 53 -16.691 0.575 0.541 1.00 44.44 C ATOM 894 SG CYS A 53 -16.941 -0.354 2.083 1.00 55.30 S ATOM 0 H CYS A 53 -17.314 -1.310 -1.047 1.00 24.54 H new ATOM 0 HA CYS A 53 -18.794 0.880 0.211 1.00 45.21 H new ATOM 0 HB2 CYS A 53 -15.848 0.145 -0.001 1.00 44.44 H new ATOM 0 HB3 CYS A 53 -16.423 1.603 0.784 1.00 44.44 H new ATOM 899 N LYS A 54 -18.584 2.674 -1.443 1.00 64.11 N ATOM 900 CA LYS A 54 -18.470 3.868 -2.300 1.00 71.30 C ATOM 901 C LYS A 54 -17.095 4.540 -2.100 1.00 11.50 C ATOM 902 O LYS A 54 -16.471 5.011 -3.059 1.00 1.13 O ATOM 903 CB LYS A 54 -19.635 4.855 -1.961 1.00 20.14 C ATOM 904 CG LYS A 54 -19.556 6.249 -2.631 1.00 65.14 C ATOM 905 CD LYS A 54 -19.574 6.182 -4.173 1.00 62.35 C ATOM 906 CE LYS A 54 -19.405 7.556 -4.833 1.00 72.20 C ATOM 907 NZ LYS A 54 -19.361 7.443 -6.316 1.00 41.21 N ATOM 0 H LYS A 54 -19.358 2.730 -0.781 1.00 64.11 H new ATOM 0 HA LYS A 54 -18.548 3.578 -3.348 1.00 71.30 H new ATOM 0 HB2 LYS A 54 -20.577 4.388 -2.249 1.00 20.14 H new ATOM 0 HB3 LYS A 54 -19.665 4.994 -0.880 1.00 20.14 H new ATOM 0 HG2 LYS A 54 -20.394 6.857 -2.290 1.00 65.14 H new ATOM 0 HG3 LYS A 54 -18.645 6.751 -2.306 1.00 65.14 H new ATOM 0 HD2 LYS A 54 -18.776 5.521 -4.512 1.00 62.35 H new ATOM 0 HD3 LYS A 54 -20.515 5.740 -4.501 1.00 62.35 H new ATOM 0 HE2 LYS A 54 -20.230 8.206 -4.540 1.00 72.20 H new ATOM 0 HE3 LYS A 54 -18.488 8.023 -4.475 1.00 72.20 H new ATOM 0 HZ1 LYS A 54 -19.246 8.389 -6.733 1.00 41.21 H new ATOM 0 HZ2 LYS A 54 -18.559 6.842 -6.595 1.00 41.21 H new ATOM 0 HZ3 LYS A 54 -20.247 7.019 -6.658 1.00 41.21 H new ATOM 921 N ARG A 55 -16.635 4.571 -0.842 1.00 21.24 N ATOM 922 CA ARG A 55 -15.298 5.061 -0.495 1.00 30.44 C ATOM 923 C ARG A 55 -14.692 4.158 0.591 1.00 24.43 C ATOM 924 O ARG A 55 -15.372 3.781 1.553 1.00 42.13 O ATOM 925 CB ARG A 55 -15.353 6.550 -0.036 1.00 40.02 C ATOM 926 CG ARG A 55 -13.968 7.177 0.262 1.00 4.24 C ATOM 927 CD ARG A 55 -14.030 8.684 0.575 1.00 21.54 C ATOM 928 NE ARG A 55 -14.470 9.497 -0.580 1.00 14.02 N ATOM 929 CZ ARG A 55 -14.169 10.800 -0.765 1.00 75.00 C ATOM 930 NH1 ARG A 55 -13.416 11.469 0.115 1.00 22.44 N ATOM 931 NH2 ARG A 55 -14.613 11.434 -1.844 1.00 3.25 N ATOM 0 H ARG A 55 -17.180 4.257 -0.039 1.00 21.24 H new ATOM 0 HA ARG A 55 -14.659 5.023 -1.377 1.00 30.44 H new ATOM 0 HB2 ARG A 55 -15.846 7.138 -0.810 1.00 40.02 H new ATOM 0 HB3 ARG A 55 -15.970 6.619 0.860 1.00 40.02 H new ATOM 0 HG2 ARG A 55 -13.517 6.657 1.107 1.00 4.24 H new ATOM 0 HG3 ARG A 55 -13.314 7.019 -0.596 1.00 4.24 H new ATOM 0 HD2 ARG A 55 -14.712 8.848 1.409 1.00 21.54 H new ATOM 0 HD3 ARG A 55 -13.046 9.023 0.897 1.00 21.54 H new ATOM 0 HE ARG A 55 -15.043 9.039 -1.289 1.00 14.02 H new ATOM 0 HH11 ARG A 55 -13.058 10.995 0.944 1.00 22.44 H new ATOM 0 HH12 ARG A 55 -13.200 12.453 -0.043 1.00 22.44 H new ATOM 0 HH21 ARG A 55 -15.180 10.937 -2.531 1.00 3.25 H new ATOM 0 HH22 ARG A 55 -14.387 12.418 -1.986 1.00 3.25 H new ATOM 945 N VAL A 56 -13.406 3.820 0.416 1.00 1.01 N ATOM 946 CA VAL A 56 -12.640 2.963 1.347 1.00 43.14 C ATOM 947 C VAL A 56 -11.525 3.791 1.994 1.00 41.11 C ATOM 948 O VAL A 56 -10.964 4.675 1.351 1.00 34.22 O ATOM 949 CB VAL A 56 -12.009 1.713 0.614 1.00 12.32 C ATOM 950 CG1 VAL A 56 -13.097 0.706 0.197 1.00 63.20 C ATOM 951 CG2 VAL A 56 -11.151 2.138 -0.606 1.00 13.21 C ATOM 0 H VAL A 56 -12.858 4.135 -0.384 1.00 1.01 H new ATOM 0 HA VAL A 56 -13.329 2.591 2.106 1.00 43.14 H new ATOM 0 HB VAL A 56 -11.347 1.220 1.326 1.00 12.32 H new ATOM 0 HG11 VAL A 56 -12.634 -0.143 -0.305 1.00 63.20 H new ATOM 0 HG12 VAL A 56 -13.629 0.358 1.082 1.00 63.20 H new ATOM 0 HG13 VAL A 56 -13.799 1.190 -0.482 1.00 63.20 H new ATOM 0 HG21 VAL A 56 -10.734 1.252 -1.084 1.00 13.21 H new ATOM 0 HG22 VAL A 56 -11.775 2.676 -1.320 1.00 13.21 H new ATOM 0 HG23 VAL A 56 -10.340 2.786 -0.273 1.00 13.21 H new ATOM 961 N ARG A 57 -11.233 3.515 3.276 1.00 3.42 N ATOM 962 CA ARG A 57 -10.119 4.155 3.987 1.00 3.34 C ATOM 963 C ARG A 57 -8.947 3.164 3.997 1.00 44.54 C ATOM 964 O ARG A 57 -8.966 2.193 4.743 1.00 23.22 O ATOM 965 CB ARG A 57 -10.548 4.519 5.445 1.00 54.40 C ATOM 966 CG ARG A 57 -9.470 5.260 6.278 1.00 13.31 C ATOM 967 CD ARG A 57 -9.227 6.706 5.811 1.00 55.21 C ATOM 968 NE ARG A 57 -10.406 7.558 6.051 1.00 74.23 N ATOM 969 CZ ARG A 57 -10.492 8.878 5.796 1.00 3.32 C ATOM 970 NH1 ARG A 57 -9.465 9.551 5.277 1.00 21.02 N ATOM 971 NH2 ARG A 57 -11.605 9.527 6.112 1.00 32.11 N ATOM 0 H ARG A 57 -11.758 2.848 3.842 1.00 3.42 H new ATOM 0 HA ARG A 57 -9.825 5.080 3.491 1.00 3.34 H new ATOM 0 HB2 ARG A 57 -11.442 5.141 5.400 1.00 54.40 H new ATOM 0 HB3 ARG A 57 -10.823 3.602 5.967 1.00 54.40 H new ATOM 0 HG2 ARG A 57 -9.773 5.270 7.325 1.00 13.31 H new ATOM 0 HG3 ARG A 57 -8.533 4.705 6.223 1.00 13.31 H new ATOM 0 HD2 ARG A 57 -8.366 7.119 6.336 1.00 55.21 H new ATOM 0 HD3 ARG A 57 -8.984 6.710 4.748 1.00 55.21 H new ATOM 0 HE ARG A 57 -11.231 7.107 6.446 1.00 74.23 H new ATOM 0 HH11 ARG A 57 -8.593 9.067 5.065 1.00 21.02 H new ATOM 0 HH12 ARG A 57 -9.552 10.550 5.092 1.00 21.02 H new ATOM 0 HH21 ARG A 57 -12.382 9.026 6.543 1.00 32.11 H new ATOM 0 HH22 ARG A 57 -11.683 10.527 5.924 1.00 32.11 H new ATOM 985 N ILE A 58 -7.949 3.407 3.142 1.00 12.41 N ATOM 986 CA ILE A 58 -6.728 2.584 3.063 1.00 2.13 C ATOM 987 C ILE A 58 -5.618 3.319 3.831 1.00 41.44 C ATOM 988 O ILE A 58 -5.440 4.534 3.670 1.00 63.42 O ATOM 989 CB ILE A 58 -6.287 2.334 1.562 1.00 1.30 C ATOM 990 CG1 ILE A 58 -7.465 1.724 0.731 1.00 74.23 C ATOM 991 CG2 ILE A 58 -5.025 1.436 1.485 1.00 30.12 C ATOM 992 CD1 ILE A 58 -7.179 1.566 -0.758 1.00 44.44 C ATOM 0 H ILE A 58 -7.961 4.183 2.480 1.00 12.41 H new ATOM 0 HA ILE A 58 -6.920 1.605 3.502 1.00 2.13 H new ATOM 0 HB ILE A 58 -6.029 3.299 1.125 1.00 1.30 H new ATOM 0 HG12 ILE A 58 -7.716 0.747 1.145 1.00 74.23 H new ATOM 0 HG13 ILE A 58 -8.344 2.357 0.853 1.00 74.23 H new ATOM 0 HG21 ILE A 58 -4.749 1.284 0.441 1.00 30.12 H new ATOM 0 HG22 ILE A 58 -4.202 1.919 2.011 1.00 30.12 H new ATOM 0 HG23 ILE A 58 -5.235 0.472 1.948 1.00 30.12 H new ATOM 0 HD11 ILE A 58 -8.050 1.137 -1.252 1.00 44.44 H new ATOM 0 HD12 ILE A 58 -6.960 2.542 -1.192 1.00 44.44 H new ATOM 0 HD13 ILE A 58 -6.322 0.907 -0.896 1.00 44.44 H new ATOM 1004 N SER A 59 -4.898 2.587 4.680 1.00 72.13 N ATOM 1005 CA SER A 59 -3.856 3.142 5.538 1.00 44.51 C ATOM 1006 C SER A 59 -2.666 2.173 5.506 1.00 45.42 C ATOM 1007 O SER A 59 -2.706 1.109 6.132 1.00 52.34 O ATOM 1008 CB SER A 59 -4.449 3.327 6.961 1.00 64.10 C ATOM 1009 OG SER A 59 -3.533 3.911 7.862 1.00 0.53 O ATOM 0 H SER A 59 -5.024 1.581 4.791 1.00 72.13 H new ATOM 0 HA SER A 59 -3.505 4.118 5.202 1.00 44.51 H new ATOM 0 HB2 SER A 59 -5.340 3.951 6.900 1.00 64.10 H new ATOM 0 HB3 SER A 59 -4.764 2.358 7.347 1.00 64.10 H new ATOM 0 HG SER A 59 -4.020 4.297 8.620 1.00 0.53 H new ATOM 1015 N ILE A 60 -1.614 2.533 4.737 1.00 21.24 N ATOM 1016 CA ILE A 60 -0.466 1.642 4.467 1.00 10.11 C ATOM 1017 C ILE A 60 0.830 2.217 5.058 1.00 0.32 C ATOM 1018 O ILE A 60 1.300 3.276 4.638 1.00 72.32 O ATOM 1019 CB ILE A 60 -0.313 1.346 2.918 1.00 5.21 C ATOM 1020 CG1 ILE A 60 -1.515 0.476 2.416 1.00 70.34 C ATOM 1021 CG2 ILE A 60 1.051 0.684 2.578 1.00 10.32 C ATOM 1022 CD1 ILE A 60 -1.454 0.056 0.956 1.00 1.42 C ATOM 0 H ILE A 60 -1.538 3.446 4.288 1.00 21.24 H new ATOM 0 HA ILE A 60 -0.663 0.690 4.961 1.00 10.11 H new ATOM 0 HB ILE A 60 -0.330 2.300 2.392 1.00 5.21 H new ATOM 0 HG12 ILE A 60 -1.574 -0.421 3.032 1.00 70.34 H new ATOM 0 HG13 ILE A 60 -2.437 1.034 2.577 1.00 70.34 H new ATOM 0 HG21 ILE A 60 1.109 0.500 1.505 1.00 10.32 H new ATOM 0 HG22 ILE A 60 1.862 1.348 2.877 1.00 10.32 H new ATOM 0 HG23 ILE A 60 1.140 -0.261 3.113 1.00 10.32 H new ATOM 0 HD11 ILE A 60 -2.333 -0.541 0.712 1.00 1.42 H new ATOM 0 HD12 ILE A 60 -1.431 0.943 0.323 1.00 1.42 H new ATOM 0 HD13 ILE A 60 -0.554 -0.535 0.785 1.00 1.42 H new ATOM 1034 N ARG A 61 1.387 1.509 6.059 1.00 65.12 N ATOM 1035 CA ARG A 61 2.659 1.873 6.698 1.00 11.12 C ATOM 1036 C ARG A 61 3.751 0.912 6.222 1.00 31.42 C ATOM 1037 O ARG A 61 3.509 -0.287 6.080 1.00 31.01 O ATOM 1038 CB ARG A 61 2.523 1.824 8.246 1.00 30.12 C ATOM 1039 CG ARG A 61 3.778 2.318 9.003 1.00 14.02 C ATOM 1040 CD ARG A 61 3.604 2.370 10.535 1.00 51.54 C ATOM 1041 NE ARG A 61 4.796 2.953 11.180 1.00 24.24 N ATOM 1042 CZ ARG A 61 4.959 3.152 12.497 1.00 43.02 C ATOM 1043 NH1 ARG A 61 4.009 2.820 13.368 1.00 14.12 N ATOM 1044 NH2 ARG A 61 6.083 3.707 12.938 1.00 53.12 N ATOM 0 H ARG A 61 0.963 0.666 6.446 1.00 65.12 H new ATOM 0 HA ARG A 61 2.928 2.891 6.418 1.00 11.12 H new ATOM 0 HB2 ARG A 61 1.668 2.431 8.545 1.00 30.12 H new ATOM 0 HB3 ARG A 61 2.308 0.799 8.549 1.00 30.12 H new ATOM 0 HG2 ARG A 61 4.616 1.663 8.764 1.00 14.02 H new ATOM 0 HG3 ARG A 61 4.039 3.313 8.643 1.00 14.02 H new ATOM 0 HD2 ARG A 61 2.724 2.962 10.785 1.00 51.54 H new ATOM 0 HD3 ARG A 61 3.432 1.365 10.920 1.00 51.54 H new ATOM 0 HE ARG A 61 5.565 3.230 10.570 1.00 24.24 H new ATOM 0 HH11 ARG A 61 3.137 2.406 13.038 1.00 14.12 H new ATOM 0 HH12 ARG A 61 4.153 2.980 14.365 1.00 14.12 H new ATOM 0 HH21 ARG A 61 6.812 3.977 12.277 1.00 53.12 H new ATOM 0 HH22 ARG A 61 6.217 3.863 13.937 1.00 53.12 H new ATOM 1058 N VAL A 62 4.950 1.442 5.979 1.00 60.23 N ATOM 1059 CA VAL A 62 6.108 0.642 5.552 1.00 60.25 C ATOM 1060 C VAL A 62 6.949 0.264 6.790 1.00 3.24 C ATOM 1061 O VAL A 62 7.058 1.056 7.734 1.00 53.54 O ATOM 1062 CB VAL A 62 6.980 1.448 4.500 1.00 35.43 C ATOM 1063 CG1 VAL A 62 7.564 2.749 5.088 1.00 24.20 C ATOM 1064 CG2 VAL A 62 8.106 0.588 3.898 1.00 41.30 C ATOM 0 H VAL A 62 5.150 2.438 6.071 1.00 60.23 H new ATOM 0 HA VAL A 62 5.761 -0.270 5.067 1.00 60.25 H new ATOM 0 HB VAL A 62 6.293 1.722 3.699 1.00 35.43 H new ATOM 0 HG11 VAL A 62 8.152 3.261 4.326 1.00 24.20 H new ATOM 0 HG12 VAL A 62 6.751 3.397 5.416 1.00 24.20 H new ATOM 0 HG13 VAL A 62 8.202 2.509 5.938 1.00 24.20 H new ATOM 0 HG21 VAL A 62 8.676 1.183 3.184 1.00 41.30 H new ATOM 0 HG22 VAL A 62 8.767 0.245 4.694 1.00 41.30 H new ATOM 0 HG23 VAL A 62 7.673 -0.274 3.390 1.00 41.30 H new ATOM 1074 N LYS A 63 7.487 -0.967 6.821 1.00 52.42 N ATOM 1075 CA LYS A 63 8.543 -1.347 7.774 1.00 51.45 C ATOM 1076 C LYS A 63 9.874 -1.046 7.107 1.00 41.12 C ATOM 1077 O LYS A 63 10.139 -1.536 5.998 1.00 62.30 O ATOM 1078 CB LYS A 63 8.475 -2.850 8.142 1.00 3.32 C ATOM 1079 CG LYS A 63 9.636 -3.392 9.018 1.00 64.21 C ATOM 1080 CD LYS A 63 9.671 -2.802 10.444 1.00 13.13 C ATOM 1081 CE LYS A 63 8.498 -3.263 11.323 1.00 72.03 C ATOM 1082 NZ LYS A 63 8.542 -4.729 11.580 1.00 74.55 N ATOM 0 H LYS A 63 7.206 -1.720 6.193 1.00 52.42 H new ATOM 0 HA LYS A 63 8.417 -0.786 8.700 1.00 51.45 H new ATOM 0 HB2 LYS A 63 7.536 -3.033 8.665 1.00 3.32 H new ATOM 0 HB3 LYS A 63 8.443 -3.428 7.219 1.00 3.32 H new ATOM 0 HG2 LYS A 63 9.551 -4.477 9.086 1.00 64.21 H new ATOM 0 HG3 LYS A 63 10.583 -3.177 8.523 1.00 64.21 H new ATOM 0 HD2 LYS A 63 10.608 -3.085 10.924 1.00 13.13 H new ATOM 0 HD3 LYS A 63 9.662 -1.714 10.380 1.00 13.13 H new ATOM 0 HE2 LYS A 63 8.522 -2.727 12.272 1.00 72.03 H new ATOM 0 HE3 LYS A 63 7.557 -3.007 10.836 1.00 72.03 H new ATOM 0 HZ1 LYS A 63 7.744 -4.999 12.190 1.00 74.55 H new ATOM 0 HZ2 LYS A 63 8.476 -5.242 10.678 1.00 74.55 H new ATOM 0 HZ3 LYS A 63 9.436 -4.972 12.052 1.00 74.55 H new ATOM 1096 N HIS A 64 10.688 -0.233 7.766 1.00 23.15 N ATOM 1097 CA HIS A 64 11.996 0.154 7.250 1.00 34.34 C ATOM 1098 C HIS A 64 13.084 -0.794 7.752 1.00 64.11 C ATOM 1099 O HIS A 64 13.018 -1.292 8.884 1.00 24.35 O ATOM 1100 CB HIS A 64 12.315 1.608 7.611 1.00 21.21 C ATOM 1101 CG HIS A 64 12.228 1.979 9.071 1.00 63.32 C ATOM 1102 ND1 HIS A 64 13.097 1.508 10.033 1.00 1.03 N ATOM 1103 CD2 HIS A 64 11.389 2.823 9.712 1.00 1.33 C ATOM 1104 CE1 HIS A 64 12.794 2.046 11.196 1.00 32.40 C ATOM 1105 NE2 HIS A 64 11.762 2.845 11.027 1.00 44.14 N ATOM 0 H HIS A 64 10.462 0.177 8.672 1.00 23.15 H new ATOM 0 HA HIS A 64 11.968 0.079 6.163 1.00 34.34 H new ATOM 0 HB2 HIS A 64 13.323 1.832 7.263 1.00 21.21 H new ATOM 0 HB3 HIS A 64 11.635 2.254 7.055 1.00 21.21 H new ATOM 0 HD1 HIS A 64 13.856 0.846 9.869 1.00 1.03 H new ATOM 0 HD2 HIS A 64 10.575 3.377 9.268 1.00 1.33 H new ATOM 0 HE1 HIS A 64 13.305 1.863 12.130 1.00 32.40 H new ATOM 1114 N SER A 65 14.086 -1.022 6.894 1.00 74.24 N ATOM 1115 CA SER A 65 15.181 -1.960 7.161 1.00 13.34 C ATOM 1116 C SER A 65 16.294 -1.287 7.988 1.00 42.25 C ATOM 1117 O SER A 65 16.726 -1.820 9.015 1.00 64.01 O ATOM 1118 CB SER A 65 15.720 -2.486 5.822 1.00 35.43 C ATOM 1119 OG SER A 65 14.674 -3.069 5.053 1.00 72.32 O ATOM 0 H SER A 65 14.159 -0.557 5.989 1.00 74.24 H new ATOM 0 HA SER A 65 14.809 -2.797 7.751 1.00 13.34 H new ATOM 0 HB2 SER A 65 16.178 -1.670 5.263 1.00 35.43 H new ATOM 0 HB3 SER A 65 16.500 -3.225 6.003 1.00 35.43 H new ATOM 0 HG SER A 65 14.883 -4.010 4.877 1.00 72.32 H new ATOM 1125 N ASP A 66 16.737 -0.102 7.537 1.00 54.12 N ATOM 1126 CA ASP A 66 17.790 0.686 8.219 1.00 70.13 C ATOM 1127 C ASP A 66 17.181 1.703 9.193 1.00 52.31 C ATOM 1128 O ASP A 66 15.959 1.725 9.394 1.00 73.12 O ATOM 1129 CB ASP A 66 18.689 1.395 7.171 1.00 43.35 C ATOM 1130 CG ASP A 66 19.518 0.406 6.333 1.00 72.12 C ATOM 1131 OD1 ASP A 66 20.637 0.033 6.759 1.00 53.33 O ATOM 1132 OD2 ASP A 66 19.050 -0.031 5.263 1.00 73.51 O ATOM 0 H ASP A 66 16.379 0.341 6.691 1.00 54.12 H new ATOM 0 HA ASP A 66 18.406 0.001 8.802 1.00 70.13 H new ATOM 0 HB2 ASP A 66 18.064 1.992 6.507 1.00 43.35 H new ATOM 0 HB3 ASP A 66 19.361 2.084 7.682 1.00 43.35 H new ATOM 1137 N ALA A 67 18.051 2.534 9.801 1.00 34.25 N ATOM 1138 CA ALA A 67 17.659 3.579 10.767 1.00 5.23 C ATOM 1139 C ALA A 67 17.953 4.991 10.209 1.00 22.41 C ATOM 1140 O ALA A 67 17.209 5.935 10.492 1.00 54.02 O ATOM 1141 CB ALA A 67 18.385 3.341 12.093 1.00 1.44 C ATOM 0 H ALA A 67 19.056 2.498 9.633 1.00 34.25 H new ATOM 0 HA ALA A 67 16.584 3.522 10.939 1.00 5.23 H new ATOM 0 HB1 ALA A 67 18.098 4.111 12.809 1.00 1.44 H new ATOM 0 HB2 ALA A 67 18.113 2.361 12.486 1.00 1.44 H new ATOM 0 HB3 ALA A 67 19.462 3.381 11.930 1.00 1.44 H new ATOM 1147 N ALA A 68 19.051 5.135 9.443 1.00 60.23 N ATOM 1148 CA ALA A 68 19.388 6.393 8.741 1.00 42.02 C ATOM 1149 C ALA A 68 18.748 6.435 7.332 1.00 61.31 C ATOM 1150 O ALA A 68 17.979 7.348 7.008 1.00 33.22 O ATOM 1151 CB ALA A 68 20.918 6.552 8.660 1.00 72.32 C ATOM 0 H ALA A 68 19.728 4.387 9.292 1.00 60.23 H new ATOM 0 HA ALA A 68 18.979 7.229 9.308 1.00 42.02 H new ATOM 0 HB1 ALA A 68 21.160 7.480 8.142 1.00 72.32 H new ATOM 0 HB2 ALA A 68 21.335 6.579 9.667 1.00 72.32 H new ATOM 0 HB3 ALA A 68 21.343 5.710 8.114 1.00 72.32 H new ATOM 1157 N GLU A 69 19.056 5.390 6.536 1.00 24.31 N ATOM 1158 CA GLU A 69 18.713 5.285 5.091 1.00 4.34 C ATOM 1159 C GLU A 69 17.186 5.232 4.849 1.00 64.22 C ATOM 1160 O GLU A 69 16.716 5.465 3.732 1.00 35.53 O ATOM 1161 CB GLU A 69 19.376 4.011 4.478 1.00 50.21 C ATOM 1162 CG GLU A 69 20.922 4.030 4.345 1.00 22.03 C ATOM 1163 CD GLU A 69 21.681 4.258 5.670 1.00 44.41 C ATOM 1164 OE1 GLU A 69 21.454 3.491 6.634 1.00 70.30 O ATOM 1165 OE2 GLU A 69 22.499 5.203 5.759 1.00 72.43 O ATOM 0 H GLU A 69 19.561 4.574 6.882 1.00 24.31 H new ATOM 0 HA GLU A 69 19.096 6.183 4.606 1.00 4.34 H new ATOM 0 HB2 GLU A 69 19.097 3.153 5.090 1.00 50.21 H new ATOM 0 HB3 GLU A 69 18.951 3.848 3.488 1.00 50.21 H new ATOM 0 HG2 GLU A 69 21.248 3.083 3.914 1.00 22.03 H new ATOM 0 HG3 GLU A 69 21.203 4.814 3.642 1.00 22.03 H new ATOM 1172 N GLU A 70 16.441 4.914 5.915 1.00 75.12 N ATOM 1173 CA GLU A 70 14.989 4.701 5.875 1.00 45.03 C ATOM 1174 C GLU A 70 14.182 5.984 5.618 1.00 74.12 C ATOM 1175 O GLU A 70 13.031 5.921 5.191 1.00 0.33 O ATOM 1176 CB GLU A 70 14.552 4.014 7.179 1.00 71.43 C ATOM 1177 CG GLU A 70 14.961 4.685 8.503 1.00 54.43 C ATOM 1178 CD GLU A 70 14.149 5.927 8.895 1.00 11.42 C ATOM 1179 OE1 GLU A 70 12.940 5.788 9.134 1.00 32.01 O ATOM 1180 OE2 GLU A 70 14.718 7.034 8.974 1.00 52.22 O ATOM 0 H GLU A 70 16.838 4.795 6.847 1.00 75.12 H new ATOM 0 HA GLU A 70 14.772 4.059 5.021 1.00 45.03 H new ATOM 0 HB2 GLU A 70 13.466 3.927 7.167 1.00 71.43 H new ATOM 0 HB3 GLU A 70 14.953 3.000 7.177 1.00 71.43 H new ATOM 0 HG2 GLU A 70 14.876 3.950 9.303 1.00 54.43 H new ATOM 0 HG3 GLU A 70 16.012 4.966 8.438 1.00 54.43 H new ATOM 1187 N LYS A 71 14.795 7.131 5.921 1.00 21.12 N ATOM 1188 CA LYS A 71 14.201 8.455 5.692 1.00 72.14 C ATOM 1189 C LYS A 71 14.117 8.728 4.170 1.00 44.10 C ATOM 1190 O LYS A 71 13.204 9.400 3.689 1.00 52.20 O ATOM 1191 CB LYS A 71 15.060 9.507 6.444 1.00 63.52 C ATOM 1192 CG LYS A 71 14.425 10.905 6.576 1.00 0.21 C ATOM 1193 CD LYS A 71 15.311 11.883 7.391 1.00 63.44 C ATOM 1194 CE LYS A 71 16.667 12.172 6.718 1.00 61.42 C ATOM 1195 NZ LYS A 71 17.451 13.208 7.449 1.00 12.53 N ATOM 0 H LYS A 71 15.726 7.170 6.336 1.00 21.12 H new ATOM 0 HA LYS A 71 13.183 8.508 6.078 1.00 72.14 H new ATOM 0 HB2 LYS A 71 15.275 9.128 7.443 1.00 63.52 H new ATOM 0 HB3 LYS A 71 16.015 9.607 5.928 1.00 63.52 H new ATOM 0 HG2 LYS A 71 14.252 11.318 5.582 1.00 0.21 H new ATOM 0 HG3 LYS A 71 13.451 10.815 7.057 1.00 0.21 H new ATOM 0 HD2 LYS A 71 14.774 12.821 7.530 1.00 63.44 H new ATOM 0 HD3 LYS A 71 15.486 11.466 8.383 1.00 63.44 H new ATOM 0 HE2 LYS A 71 17.247 11.251 6.664 1.00 61.42 H new ATOM 0 HE3 LYS A 71 16.499 12.503 5.693 1.00 61.42 H new ATOM 0 HZ1 LYS A 71 18.355 13.369 6.960 1.00 12.53 H new ATOM 0 HZ2 LYS A 71 16.910 14.096 7.479 1.00 12.53 H new ATOM 0 HZ3 LYS A 71 17.636 12.883 8.419 1.00 12.53 H new ATOM 1209 N LYS A 72 15.087 8.149 3.432 1.00 53.23 N ATOM 1210 CA LYS A 72 15.115 8.140 1.958 1.00 23.20 C ATOM 1211 C LYS A 72 14.236 6.993 1.418 1.00 42.21 C ATOM 1212 O LYS A 72 13.515 7.171 0.440 1.00 62.14 O ATOM 1213 CB LYS A 72 16.579 7.967 1.466 1.00 61.24 C ATOM 1214 CG LYS A 72 16.760 7.941 -0.075 1.00 14.13 C ATOM 1215 CD LYS A 72 18.238 7.778 -0.503 1.00 2.13 C ATOM 1216 CE LYS A 72 19.137 8.945 -0.045 1.00 54.31 C ATOM 1217 NZ LYS A 72 18.710 10.256 -0.610 1.00 42.10 N ATOM 0 H LYS A 72 15.883 7.668 3.851 1.00 53.23 H new ATOM 0 HA LYS A 72 14.721 9.086 1.587 1.00 23.20 H new ATOM 0 HB2 LYS A 72 17.180 8.780 1.873 1.00 61.24 H new ATOM 0 HB3 LYS A 72 16.977 7.040 1.878 1.00 61.24 H new ATOM 0 HG2 LYS A 72 16.174 7.122 -0.491 1.00 14.13 H new ATOM 0 HG3 LYS A 72 16.364 8.864 -0.498 1.00 14.13 H new ATOM 0 HD2 LYS A 72 18.627 6.846 -0.093 1.00 2.13 H new ATOM 0 HD3 LYS A 72 18.288 7.694 -1.589 1.00 2.13 H new ATOM 0 HE2 LYS A 72 19.125 9.002 1.043 1.00 54.31 H new ATOM 0 HE3 LYS A 72 20.166 8.744 -0.342 1.00 54.31 H new ATOM 0 HZ1 LYS A 72 19.386 10.993 -0.326 1.00 42.10 H new ATOM 0 HZ2 LYS A 72 18.681 10.194 -1.648 1.00 42.10 H new ATOM 0 HZ3 LYS A 72 17.764 10.497 -0.251 1.00 42.10 H new ATOM 1231 N GLU A 73 14.306 5.821 2.093 1.00 21.15 N ATOM 1232 CA GLU A 73 13.600 4.582 1.679 1.00 22.04 C ATOM 1233 C GLU A 73 12.069 4.736 1.771 1.00 3.21 C ATOM 1234 O GLU A 73 11.342 4.120 0.993 1.00 51.23 O ATOM 1235 CB GLU A 73 14.081 3.381 2.539 1.00 1.13 C ATOM 1236 CG GLU A 73 13.434 2.017 2.188 1.00 52.22 C ATOM 1237 CD GLU A 73 14.035 0.829 2.961 1.00 62.30 C ATOM 1238 OE1 GLU A 73 13.732 0.667 4.168 1.00 23.20 O ATOM 1239 OE2 GLU A 73 14.852 0.078 2.378 1.00 74.13 O ATOM 0 H GLU A 73 14.856 5.707 2.944 1.00 21.15 H new ATOM 0 HA GLU A 73 13.844 4.393 0.634 1.00 22.04 H new ATOM 0 HB2 GLU A 73 15.162 3.290 2.434 1.00 1.13 H new ATOM 0 HB3 GLU A 73 13.880 3.602 3.587 1.00 1.13 H new ATOM 0 HG2 GLU A 73 12.365 2.069 2.393 1.00 52.22 H new ATOM 0 HG3 GLU A 73 13.545 1.837 1.119 1.00 52.22 H new ATOM 1246 N ALA A 74 11.599 5.570 2.713 1.00 25.42 N ATOM 1247 CA ALA A 74 10.168 5.874 2.874 1.00 75.34 C ATOM 1248 C ALA A 74 9.653 6.674 1.666 1.00 13.45 C ATOM 1249 O ALA A 74 8.590 6.368 1.127 1.00 10.24 O ATOM 1250 CB ALA A 74 9.926 6.642 4.178 1.00 52.03 C ATOM 0 H ALA A 74 12.199 6.051 3.383 1.00 25.42 H new ATOM 0 HA ALA A 74 9.616 4.936 2.925 1.00 75.34 H new ATOM 0 HB1 ALA A 74 8.863 6.858 4.281 1.00 52.03 H new ATOM 0 HB2 ALA A 74 10.257 6.038 5.023 1.00 52.03 H new ATOM 0 HB3 ALA A 74 10.486 7.577 4.159 1.00 52.03 H new ATOM 1256 N LYS A 75 10.440 7.696 1.257 1.00 72.10 N ATOM 1257 CA LYS A 75 10.147 8.526 0.067 1.00 32.15 C ATOM 1258 C LYS A 75 10.332 7.733 -1.253 1.00 61.04 C ATOM 1259 O LYS A 75 9.637 7.984 -2.249 1.00 20.41 O ATOM 1260 CB LYS A 75 11.034 9.806 0.077 1.00 14.25 C ATOM 1261 CG LYS A 75 10.705 10.843 -1.031 1.00 71.25 C ATOM 1262 CD LYS A 75 9.222 11.319 -1.034 1.00 11.02 C ATOM 1263 CE LYS A 75 8.870 12.328 0.083 1.00 31.33 C ATOM 1264 NZ LYS A 75 9.072 11.800 1.460 1.00 44.31 N ATOM 0 H LYS A 75 11.295 7.968 1.743 1.00 72.10 H new ATOM 0 HA LYS A 75 9.099 8.822 0.115 1.00 32.15 H new ATOM 0 HB2 LYS A 75 10.934 10.291 1.048 1.00 14.25 H new ATOM 0 HB3 LYS A 75 12.077 9.507 -0.025 1.00 14.25 H new ATOM 0 HG2 LYS A 75 11.354 11.710 -0.907 1.00 71.25 H new ATOM 0 HG3 LYS A 75 10.938 10.407 -2.003 1.00 71.25 H new ATOM 0 HD2 LYS A 75 9.002 11.774 -2.000 1.00 11.02 H new ATOM 0 HD3 LYS A 75 8.574 10.448 -0.937 1.00 11.02 H new ATOM 0 HE2 LYS A 75 9.479 13.223 -0.045 1.00 31.33 H new ATOM 0 HE3 LYS A 75 7.829 12.631 -0.030 1.00 31.33 H new ATOM 0 HZ1 LYS A 75 8.362 12.213 2.098 1.00 44.31 H new ATOM 0 HZ2 LYS A 75 8.971 10.765 1.453 1.00 44.31 H new ATOM 0 HZ3 LYS A 75 10.025 12.052 1.792 1.00 44.31 H new ATOM 1278 N LYS A 76 11.255 6.761 -1.235 1.00 51.14 N ATOM 1279 CA LYS A 76 11.487 5.832 -2.357 1.00 21.50 C ATOM 1280 C LYS A 76 10.247 4.941 -2.547 1.00 70.43 C ATOM 1281 O LYS A 76 9.719 4.812 -3.653 1.00 12.32 O ATOM 1282 CB LYS A 76 12.726 4.949 -2.053 1.00 23.02 C ATOM 1283 CG LYS A 76 13.102 3.927 -3.158 1.00 53.41 C ATOM 1284 CD LYS A 76 14.069 2.829 -2.648 1.00 5.45 C ATOM 1285 CE LYS A 76 15.369 3.386 -2.036 1.00 72.12 C ATOM 1286 NZ LYS A 76 16.238 2.291 -1.513 1.00 61.31 N ATOM 0 H LYS A 76 11.868 6.594 -0.437 1.00 51.14 H new ATOM 0 HA LYS A 76 11.667 6.400 -3.270 1.00 21.50 H new ATOM 0 HB2 LYS A 76 13.582 5.601 -1.879 1.00 23.02 H new ATOM 0 HB3 LYS A 76 12.545 4.406 -1.126 1.00 23.02 H new ATOM 0 HG2 LYS A 76 12.194 3.459 -3.539 1.00 53.41 H new ATOM 0 HG3 LYS A 76 13.564 4.454 -3.993 1.00 53.41 H new ATOM 0 HD2 LYS A 76 13.556 2.224 -1.901 1.00 5.45 H new ATOM 0 HD3 LYS A 76 14.322 2.167 -3.476 1.00 5.45 H new ATOM 0 HE2 LYS A 76 15.913 3.955 -2.790 1.00 72.12 H new ATOM 0 HE3 LYS A 76 15.126 4.077 -1.229 1.00 72.12 H new ATOM 0 HZ1 LYS A 76 17.105 2.699 -1.108 1.00 61.31 H new ATOM 0 HZ2 LYS A 76 15.727 1.764 -0.777 1.00 61.31 H new ATOM 0 HZ3 LYS A 76 16.489 1.646 -2.289 1.00 61.31 H new ATOM 1300 N PHE A 77 9.764 4.400 -1.410 1.00 52.33 N ATOM 1301 CA PHE A 77 8.600 3.502 -1.348 1.00 51.23 C ATOM 1302 C PHE A 77 7.304 4.307 -1.564 1.00 64.23 C ATOM 1303 O PHE A 77 6.278 3.749 -1.940 1.00 60.34 O ATOM 1304 CB PHE A 77 8.582 2.764 0.022 1.00 73.44 C ATOM 1305 CG PHE A 77 7.584 1.609 0.124 1.00 22.32 C ATOM 1306 CD1 PHE A 77 7.864 0.375 -0.468 1.00 4.35 C ATOM 1307 CD2 PHE A 77 6.369 1.751 0.799 1.00 23.42 C ATOM 1308 CE1 PHE A 77 6.969 -0.671 -0.379 1.00 20.13 C ATOM 1309 CE2 PHE A 77 5.477 0.698 0.885 1.00 53.01 C ATOM 1310 CZ PHE A 77 5.773 -0.509 0.290 1.00 22.21 C ATOM 0 H PHE A 77 10.181 4.580 -0.496 1.00 52.33 H new ATOM 0 HA PHE A 77 8.670 2.756 -2.139 1.00 51.23 H new ATOM 0 HB2 PHE A 77 9.582 2.379 0.223 1.00 73.44 H new ATOM 0 HB3 PHE A 77 8.357 3.489 0.805 1.00 73.44 H new ATOM 0 HD1 PHE A 77 8.793 0.238 -1.002 1.00 4.35 H new ATOM 0 HD2 PHE A 77 6.123 2.696 1.260 1.00 23.42 H new ATOM 0 HE1 PHE A 77 7.205 -1.621 -0.835 1.00 20.13 H new ATOM 0 HE2 PHE A 77 4.547 0.822 1.419 1.00 53.01 H new ATOM 0 HZ PHE A 77 5.070 -1.327 0.347 1.00 22.21 H new ATOM 1320 N ALA A 78 7.383 5.622 -1.309 1.00 43.31 N ATOM 1321 CA ALA A 78 6.302 6.573 -1.577 1.00 64.52 C ATOM 1322 C ALA A 78 6.060 6.704 -3.081 1.00 72.23 C ATOM 1323 O ALA A 78 4.912 6.729 -3.529 1.00 51.40 O ATOM 1324 CB ALA A 78 6.644 7.934 -0.977 1.00 72.31 C ATOM 0 H ALA A 78 8.213 6.057 -0.905 1.00 43.31 H new ATOM 0 HA ALA A 78 5.388 6.200 -1.114 1.00 64.52 H new ATOM 0 HB1 ALA A 78 5.835 8.635 -1.181 1.00 72.31 H new ATOM 0 HB2 ALA A 78 6.775 7.834 0.101 1.00 72.31 H new ATOM 0 HB3 ALA A 78 7.567 8.306 -1.422 1.00 72.31 H new ATOM 1330 N ALA A 79 7.165 6.782 -3.847 1.00 25.41 N ATOM 1331 CA ALA A 79 7.127 6.814 -5.317 1.00 63.40 C ATOM 1332 C ALA A 79 6.556 5.493 -5.868 1.00 72.40 C ATOM 1333 O ALA A 79 5.776 5.494 -6.821 1.00 1.32 O ATOM 1334 CB ALA A 79 8.536 7.079 -5.869 1.00 44.14 C ATOM 0 H ALA A 79 8.108 6.824 -3.461 1.00 25.41 H new ATOM 0 HA ALA A 79 6.472 7.623 -5.640 1.00 63.40 H new ATOM 0 HB1 ALA A 79 8.502 7.102 -6.958 1.00 44.14 H new ATOM 0 HB2 ALA A 79 8.898 8.038 -5.497 1.00 44.14 H new ATOM 0 HB3 ALA A 79 9.209 6.286 -5.544 1.00 44.14 H new ATOM 1340 N ILE A 80 6.936 4.379 -5.207 1.00 53.51 N ATOM 1341 CA ILE A 80 6.473 3.018 -5.538 1.00 11.15 C ATOM 1342 C ILE A 80 4.958 2.871 -5.285 1.00 0.22 C ATOM 1343 O ILE A 80 4.237 2.351 -6.140 1.00 54.40 O ATOM 1344 CB ILE A 80 7.301 1.948 -4.722 1.00 41.11 C ATOM 1345 CG1 ILE A 80 8.817 2.057 -5.078 1.00 42.11 C ATOM 1346 CG2 ILE A 80 6.788 0.503 -4.918 1.00 20.12 C ATOM 1347 CD1 ILE A 80 9.144 1.984 -6.568 1.00 71.40 C ATOM 0 H ILE A 80 7.582 4.402 -4.418 1.00 53.51 H new ATOM 0 HA ILE A 80 6.642 2.842 -6.600 1.00 11.15 H new ATOM 0 HB ILE A 80 7.161 2.176 -3.665 1.00 41.11 H new ATOM 0 HG12 ILE A 80 9.199 2.999 -4.685 1.00 42.11 H new ATOM 0 HG13 ILE A 80 9.352 1.257 -4.566 1.00 42.11 H new ATOM 0 HG21 ILE A 80 7.399 -0.183 -4.331 1.00 20.12 H new ATOM 0 HG22 ILE A 80 5.751 0.437 -4.589 1.00 20.12 H new ATOM 0 HG23 ILE A 80 6.852 0.234 -5.972 1.00 20.12 H new ATOM 0 HD11 ILE A 80 10.222 2.069 -6.709 1.00 71.40 H new ATOM 0 HD12 ILE A 80 8.800 1.031 -6.970 1.00 71.40 H new ATOM 0 HD13 ILE A 80 8.644 2.800 -7.091 1.00 71.40 H new ATOM 1359 N LEU A 81 4.485 3.395 -4.131 1.00 2.44 N ATOM 1360 CA LEU A 81 3.052 3.387 -3.766 1.00 52.31 C ATOM 1361 C LEU A 81 2.250 4.248 -4.756 1.00 50.34 C ATOM 1362 O LEU A 81 1.223 3.806 -5.262 1.00 22.14 O ATOM 1363 CB LEU A 81 2.844 3.898 -2.301 1.00 41.23 C ATOM 1364 CG LEU A 81 3.144 2.871 -1.160 1.00 74.40 C ATOM 1365 CD1 LEU A 81 3.119 3.550 0.224 1.00 40.11 C ATOM 1366 CD2 LEU A 81 2.159 1.680 -1.199 1.00 71.20 C ATOM 0 H LEU A 81 5.084 3.833 -3.431 1.00 2.44 H new ATOM 0 HA LEU A 81 2.690 2.360 -3.818 1.00 52.31 H new ATOM 0 HB2 LEU A 81 3.478 4.772 -2.150 1.00 41.23 H new ATOM 0 HB3 LEU A 81 1.811 4.232 -2.198 1.00 41.23 H new ATOM 0 HG LEU A 81 4.148 2.483 -1.330 1.00 74.40 H new ATOM 0 HD11 LEU A 81 3.331 2.810 0.996 1.00 40.11 H new ATOM 0 HD12 LEU A 81 3.874 4.336 0.257 1.00 40.11 H new ATOM 0 HD13 LEU A 81 2.135 3.985 0.398 1.00 40.11 H new ATOM 0 HD21 LEU A 81 2.396 0.986 -0.393 1.00 71.20 H new ATOM 0 HD22 LEU A 81 1.140 2.046 -1.075 1.00 71.20 H new ATOM 0 HD23 LEU A 81 2.246 1.167 -2.157 1.00 71.20 H new ATOM 1378 N ASN A 82 2.786 5.447 -5.066 1.00 41.01 N ATOM 1379 CA ASN A 82 2.128 6.436 -5.943 1.00 61.43 C ATOM 1380 C ASN A 82 1.886 5.846 -7.341 1.00 62.00 C ATOM 1381 O ASN A 82 0.810 6.029 -7.916 1.00 12.20 O ATOM 1382 CB ASN A 82 2.969 7.734 -6.043 1.00 62.31 C ATOM 1383 CG ASN A 82 2.356 8.775 -6.995 1.00 74.23 C ATOM 1384 OD1 ASN A 82 1.494 9.555 -6.603 1.00 15.52 O ATOM 1385 ND2 ASN A 82 2.780 8.779 -8.252 1.00 73.22 N ATOM 0 H ASN A 82 3.691 5.757 -4.713 1.00 41.01 H new ATOM 0 HA ASN A 82 1.164 6.687 -5.501 1.00 61.43 H new ATOM 0 HB2 ASN A 82 3.070 8.172 -5.050 1.00 62.31 H new ATOM 0 HB3 ASN A 82 3.973 7.484 -6.385 1.00 62.31 H new ATOM 0 HD21 ASN A 82 2.388 9.442 -8.920 1.00 73.22 H new ATOM 0 HD22 ASN A 82 3.498 8.119 -8.550 1.00 73.22 H new ATOM 1392 N LYS A 83 2.901 5.121 -7.851 1.00 0.33 N ATOM 1393 CA LYS A 83 2.816 4.420 -9.140 1.00 71.04 C ATOM 1394 C LYS A 83 1.697 3.365 -9.123 1.00 4.24 C ATOM 1395 O LYS A 83 0.833 3.372 -9.996 1.00 44.52 O ATOM 1396 CB LYS A 83 4.177 3.757 -9.504 1.00 34.55 C ATOM 1397 CG LYS A 83 5.300 4.733 -9.934 1.00 53.01 C ATOM 1398 CD LYS A 83 4.925 5.594 -11.162 1.00 24.42 C ATOM 1399 CE LYS A 83 4.542 4.758 -12.394 1.00 61.45 C ATOM 1400 NZ LYS A 83 4.120 5.616 -13.531 1.00 11.45 N ATOM 0 H LYS A 83 3.799 5.007 -7.380 1.00 0.33 H new ATOM 0 HA LYS A 83 2.578 5.161 -9.903 1.00 71.04 H new ATOM 0 HB2 LYS A 83 4.525 3.187 -8.643 1.00 34.55 H new ATOM 0 HB3 LYS A 83 4.010 3.045 -10.312 1.00 34.55 H new ATOM 0 HG2 LYS A 83 5.541 5.390 -9.098 1.00 53.01 H new ATOM 0 HG3 LYS A 83 6.201 4.162 -10.160 1.00 53.01 H new ATOM 0 HD2 LYS A 83 4.091 6.246 -10.900 1.00 24.42 H new ATOM 0 HD3 LYS A 83 5.766 6.239 -11.416 1.00 24.42 H new ATOM 0 HE2 LYS A 83 5.391 4.145 -12.696 1.00 61.45 H new ATOM 0 HE3 LYS A 83 3.733 4.075 -12.133 1.00 61.45 H new ATOM 0 HZ1 LYS A 83 3.869 5.017 -14.344 1.00 11.45 H new ATOM 0 HZ2 LYS A 83 3.294 6.182 -13.251 1.00 11.45 H new ATOM 0 HZ3 LYS A 83 4.901 6.250 -13.796 1.00 11.45 H new ATOM 1414 N VAL A 84 1.692 2.521 -8.073 1.00 32.34 N ATOM 1415 CA VAL A 84 0.756 1.389 -7.942 1.00 22.21 C ATOM 1416 C VAL A 84 -0.705 1.885 -7.891 1.00 32.44 C ATOM 1417 O VAL A 84 -1.541 1.434 -8.677 1.00 75.41 O ATOM 1418 CB VAL A 84 1.106 0.530 -6.664 1.00 23.22 C ATOM 1419 CG1 VAL A 84 0.013 -0.513 -6.330 1.00 45.11 C ATOM 1420 CG2 VAL A 84 2.481 -0.156 -6.841 1.00 55.22 C ATOM 0 H VAL A 84 2.340 2.606 -7.290 1.00 32.34 H new ATOM 0 HA VAL A 84 0.861 0.753 -8.821 1.00 22.21 H new ATOM 0 HB VAL A 84 1.153 1.216 -5.818 1.00 23.22 H new ATOM 0 HG11 VAL A 84 0.305 -1.075 -5.443 1.00 45.11 H new ATOM 0 HG12 VAL A 84 -0.931 -0.003 -6.141 1.00 45.11 H new ATOM 0 HG13 VAL A 84 -0.106 -1.197 -7.170 1.00 45.11 H new ATOM 0 HG21 VAL A 84 2.711 -0.745 -5.953 1.00 55.22 H new ATOM 0 HG22 VAL A 84 2.452 -0.810 -7.713 1.00 55.22 H new ATOM 0 HG23 VAL A 84 3.251 0.603 -6.982 1.00 55.22 H new ATOM 1430 N PHE A 85 -0.961 2.859 -6.994 1.00 71.22 N ATOM 1431 CA PHE A 85 -2.292 3.472 -6.812 1.00 43.32 C ATOM 1432 C PHE A 85 -2.793 4.120 -8.122 1.00 43.13 C ATOM 1433 O PHE A 85 -3.933 3.893 -8.525 1.00 1.01 O ATOM 1434 CB PHE A 85 -2.285 4.499 -5.640 1.00 3.45 C ATOM 1435 CG PHE A 85 -2.097 3.862 -4.253 1.00 62.41 C ATOM 1436 CD1 PHE A 85 -2.946 2.839 -3.816 1.00 31.44 C ATOM 1437 CD2 PHE A 85 -1.087 4.283 -3.386 1.00 12.30 C ATOM 1438 CE1 PHE A 85 -2.781 2.259 -2.571 1.00 5.22 C ATOM 1439 CE2 PHE A 85 -0.922 3.697 -2.147 1.00 73.50 C ATOM 1440 CZ PHE A 85 -1.770 2.690 -1.738 1.00 21.03 C ATOM 0 H PHE A 85 -0.248 3.243 -6.374 1.00 71.22 H new ATOM 0 HA PHE A 85 -2.989 2.677 -6.549 1.00 43.32 H new ATOM 0 HB2 PHE A 85 -1.486 5.222 -5.808 1.00 3.45 H new ATOM 0 HB3 PHE A 85 -3.224 5.053 -5.650 1.00 3.45 H new ATOM 0 HD1 PHE A 85 -3.742 2.497 -4.461 1.00 31.44 H new ATOM 0 HD2 PHE A 85 -0.424 5.080 -3.689 1.00 12.30 H new ATOM 0 HE1 PHE A 85 -3.444 1.469 -2.251 1.00 5.22 H new ATOM 0 HE2 PHE A 85 -0.126 4.028 -1.496 1.00 73.50 H new ATOM 0 HZ PHE A 85 -1.643 2.239 -0.765 1.00 21.03 H new ATOM 1450 N ALA A 86 -1.897 4.849 -8.811 1.00 22.20 N ATOM 1451 CA ALA A 86 -2.215 5.518 -10.092 1.00 51.45 C ATOM 1452 C ALA A 86 -2.548 4.494 -11.205 1.00 62.01 C ATOM 1453 O ALA A 86 -3.398 4.755 -12.066 1.00 32.33 O ATOM 1454 CB ALA A 86 -1.049 6.420 -10.517 1.00 75.34 C ATOM 0 H ALA A 86 -0.936 4.993 -8.500 1.00 22.20 H new ATOM 0 HA ALA A 86 -3.103 6.132 -9.940 1.00 51.45 H new ATOM 0 HB1 ALA A 86 -1.292 6.908 -11.461 1.00 75.34 H new ATOM 0 HB2 ALA A 86 -0.876 7.176 -9.751 1.00 75.34 H new ATOM 0 HB3 ALA A 86 -0.149 5.817 -10.641 1.00 75.34 H new ATOM 1460 N GLU A 87 -1.897 3.311 -11.142 1.00 73.52 N ATOM 1461 CA GLU A 87 -2.077 2.219 -12.127 1.00 61.24 C ATOM 1462 C GLU A 87 -3.290 1.324 -11.776 1.00 65.22 C ATOM 1463 O GLU A 87 -3.662 0.447 -12.562 1.00 21.23 O ATOM 1464 CB GLU A 87 -0.771 1.379 -12.236 1.00 4.03 C ATOM 1465 CG GLU A 87 0.437 2.152 -12.822 1.00 73.42 C ATOM 1466 CD GLU A 87 1.736 1.325 -12.849 1.00 42.32 C ATOM 1467 OE1 GLU A 87 1.934 0.548 -13.809 1.00 63.43 O ATOM 1468 OE2 GLU A 87 2.557 1.421 -11.902 1.00 41.04 O ATOM 0 H GLU A 87 -1.230 3.085 -10.404 1.00 73.52 H new ATOM 0 HA GLU A 87 -2.286 2.669 -13.098 1.00 61.24 H new ATOM 0 HB2 GLU A 87 -0.506 1.011 -11.245 1.00 4.03 H new ATOM 0 HB3 GLU A 87 -0.965 0.506 -12.859 1.00 4.03 H new ATOM 0 HG2 GLU A 87 0.197 2.472 -13.836 1.00 73.42 H new ATOM 0 HG3 GLU A 87 0.602 3.055 -12.234 1.00 73.42 H new ATOM 1475 N LEU A 88 -3.913 1.556 -10.601 1.00 33.45 N ATOM 1476 CA LEU A 88 -5.134 0.829 -10.165 1.00 71.00 C ATOM 1477 C LEU A 88 -6.382 1.723 -10.325 1.00 72.45 C ATOM 1478 O LEU A 88 -7.521 1.235 -10.295 1.00 34.22 O ATOM 1479 CB LEU A 88 -4.996 0.340 -8.691 1.00 31.15 C ATOM 1480 CG LEU A 88 -3.872 -0.714 -8.404 1.00 64.23 C ATOM 1481 CD1 LEU A 88 -3.847 -1.117 -6.912 1.00 4.31 C ATOM 1482 CD2 LEU A 88 -4.001 -1.957 -9.315 1.00 23.03 C ATOM 0 H LEU A 88 -3.588 2.249 -9.927 1.00 33.45 H new ATOM 0 HA LEU A 88 -5.252 -0.048 -10.802 1.00 71.00 H new ATOM 0 HB2 LEU A 88 -4.817 1.210 -8.059 1.00 31.15 H new ATOM 0 HB3 LEU A 88 -5.950 -0.087 -8.383 1.00 31.15 H new ATOM 0 HG LEU A 88 -2.920 -0.238 -8.638 1.00 64.23 H new ATOM 0 HD11 LEU A 88 -3.057 -1.849 -6.746 1.00 4.31 H new ATOM 0 HD12 LEU A 88 -3.659 -0.235 -6.300 1.00 4.31 H new ATOM 0 HD13 LEU A 88 -4.808 -1.552 -6.636 1.00 4.31 H new ATOM 0 HD21 LEU A 88 -3.203 -2.662 -9.083 1.00 23.03 H new ATOM 0 HD22 LEU A 88 -4.967 -2.433 -9.146 1.00 23.03 H new ATOM 0 HD23 LEU A 88 -3.925 -1.653 -10.359 1.00 23.03 H new ATOM 1494 N GLY A 89 -6.151 3.037 -10.495 1.00 3.41 N ATOM 1495 CA GLY A 89 -7.220 4.008 -10.751 1.00 22.41 C ATOM 1496 C GLY A 89 -7.528 4.906 -9.561 1.00 30.43 C ATOM 1497 O GLY A 89 -8.624 5.467 -9.475 1.00 23.11 O ATOM 0 H GLY A 89 -5.219 3.451 -10.458 1.00 3.41 H new ATOM 0 HA2 GLY A 89 -6.938 4.630 -11.601 1.00 22.41 H new ATOM 0 HA3 GLY A 89 -8.126 3.472 -11.035 1.00 22.41 H new ATOM 1501 N TYR A 90 -6.573 5.027 -8.630 1.00 14.45 N ATOM 1502 CA TYR A 90 -6.629 6.018 -7.545 1.00 53.13 C ATOM 1503 C TYR A 90 -5.989 7.330 -8.023 1.00 14.44 C ATOM 1504 O TYR A 90 -4.861 7.333 -8.535 1.00 4.41 O ATOM 1505 CB TYR A 90 -5.911 5.504 -6.275 1.00 30.10 C ATOM 1506 CG TYR A 90 -6.529 4.228 -5.684 1.00 40.12 C ATOM 1507 CD1 TYR A 90 -7.679 4.289 -4.892 1.00 1.34 C ATOM 1508 CD2 TYR A 90 -5.979 2.963 -5.937 1.00 51.41 C ATOM 1509 CE1 TYR A 90 -8.243 3.143 -4.368 1.00 34.43 C ATOM 1510 CE2 TYR A 90 -6.545 1.819 -5.417 1.00 62.15 C ATOM 1511 CZ TYR A 90 -7.676 1.914 -4.639 1.00 12.41 C ATOM 1512 OH TYR A 90 -8.251 0.773 -4.136 1.00 21.21 O ATOM 0 H TYR A 90 -5.739 4.441 -8.607 1.00 14.45 H new ATOM 0 HA TYR A 90 -7.674 6.191 -7.286 1.00 53.13 H new ATOM 0 HB2 TYR A 90 -4.865 5.312 -6.513 1.00 30.10 H new ATOM 0 HB3 TYR A 90 -5.927 6.288 -5.518 1.00 30.10 H new ATOM 0 HD1 TYR A 90 -8.133 5.247 -4.687 1.00 1.34 H new ATOM 0 HD2 TYR A 90 -5.094 2.884 -6.551 1.00 51.41 H new ATOM 0 HE1 TYR A 90 -9.125 3.208 -3.748 1.00 34.43 H new ATOM 0 HE2 TYR A 90 -6.104 0.854 -5.619 1.00 62.15 H new ATOM 0 HH TYR A 90 -7.667 0.388 -3.450 1.00 21.21 H new ATOM 1522 N ASN A 91 -6.723 8.425 -7.836 1.00 74.14 N ATOM 1523 CA ASN A 91 -6.321 9.780 -8.256 1.00 14.30 C ATOM 1524 C ASN A 91 -5.277 10.345 -7.262 1.00 35.51 C ATOM 1525 O ASN A 91 -5.144 9.838 -6.140 1.00 2.22 O ATOM 1526 CB ASN A 91 -7.603 10.660 -8.331 1.00 2.30 C ATOM 1527 CG ASN A 91 -7.391 12.090 -8.853 1.00 33.01 C ATOM 1528 OD1 ASN A 91 -7.179 13.024 -8.088 1.00 15.24 O ATOM 1529 ND2 ASN A 91 -7.442 12.268 -10.157 1.00 65.44 N ATOM 0 H ASN A 91 -7.635 8.402 -7.379 1.00 74.14 H new ATOM 0 HA ASN A 91 -5.849 9.767 -9.239 1.00 14.30 H new ATOM 0 HB2 ASN A 91 -8.329 10.161 -8.973 1.00 2.30 H new ATOM 0 HB3 ASN A 91 -8.043 10.716 -7.336 1.00 2.30 H new ATOM 0 HD21 ASN A 91 -7.304 13.199 -10.550 1.00 65.44 H new ATOM 0 HD22 ASN A 91 -7.620 11.475 -10.773 1.00 65.44 H new ATOM 1536 N ASP A 92 -4.528 11.378 -7.689 1.00 3.33 N ATOM 1537 CA ASP A 92 -3.541 12.099 -6.844 1.00 44.02 C ATOM 1538 C ASP A 92 -4.210 12.717 -5.596 1.00 71.43 C ATOM 1539 O ASP A 92 -3.654 12.673 -4.492 1.00 60.42 O ATOM 1540 CB ASP A 92 -2.837 13.183 -7.716 1.00 11.41 C ATOM 1541 CG ASP A 92 -1.924 14.151 -6.940 1.00 72.03 C ATOM 1542 OD1 ASP A 92 -0.857 13.722 -6.466 1.00 44.43 O ATOM 1543 OD2 ASP A 92 -2.263 15.346 -6.810 1.00 53.04 O ATOM 0 H ASP A 92 -4.587 11.744 -8.639 1.00 3.33 H new ATOM 0 HA ASP A 92 -2.796 11.395 -6.474 1.00 44.02 H new ATOM 0 HB2 ASP A 92 -2.244 12.683 -8.481 1.00 11.41 H new ATOM 0 HB3 ASP A 92 -3.601 13.764 -8.233 1.00 11.41 H new ATOM 1548 N SER A 93 -5.430 13.247 -5.794 1.00 72.14 N ATOM 1549 CA SER A 93 -6.268 13.819 -4.721 1.00 42.23 C ATOM 1550 C SER A 93 -6.975 12.723 -3.868 1.00 10.25 C ATOM 1551 O SER A 93 -7.850 13.032 -3.048 1.00 41.25 O ATOM 1552 CB SER A 93 -7.287 14.813 -5.345 1.00 61.42 C ATOM 1553 OG SER A 93 -7.881 15.646 -4.363 1.00 60.23 O ATOM 0 H SER A 93 -5.868 13.291 -6.714 1.00 72.14 H new ATOM 0 HA SER A 93 -5.621 14.357 -4.028 1.00 42.23 H new ATOM 0 HB2 SER A 93 -6.783 15.431 -6.089 1.00 61.42 H new ATOM 0 HB3 SER A 93 -8.065 14.256 -5.867 1.00 61.42 H new ATOM 0 HG SER A 93 -8.154 15.102 -3.595 1.00 60.23 H new ATOM 1559 N ASN A 94 -6.604 11.436 -4.064 1.00 10.52 N ATOM 1560 CA ASN A 94 -7.008 10.326 -3.165 1.00 41.15 C ATOM 1561 C ASN A 94 -5.850 9.939 -2.222 1.00 45.13 C ATOM 1562 O ASN A 94 -6.082 9.382 -1.148 1.00 20.44 O ATOM 1563 CB ASN A 94 -7.460 9.064 -3.970 1.00 13.20 C ATOM 1564 CG ASN A 94 -8.705 9.261 -4.857 1.00 20.33 C ATOM 1565 OD1 ASN A 94 -8.889 8.548 -5.846 1.00 64.21 O ATOM 1566 ND2 ASN A 94 -9.577 10.206 -4.530 1.00 41.04 N ATOM 0 H ASN A 94 -6.019 11.138 -4.845 1.00 10.52 H new ATOM 0 HA ASN A 94 -7.854 10.684 -2.578 1.00 41.15 H new ATOM 0 HB2 ASN A 94 -6.632 8.740 -4.601 1.00 13.20 H new ATOM 0 HB3 ASN A 94 -7.660 8.256 -3.266 1.00 13.20 H new ATOM 0 HD21 ASN A 94 -10.411 10.349 -5.099 1.00 41.04 H new ATOM 0 HD22 ASN A 94 -9.413 10.789 -3.709 1.00 41.04 H new ATOM 1573 N VAL A 95 -4.604 10.249 -2.632 1.00 13.14 N ATOM 1574 CA VAL A 95 -3.370 9.814 -1.937 1.00 54.51 C ATOM 1575 C VAL A 95 -2.692 11.017 -1.235 1.00 3.01 C ATOM 1576 O VAL A 95 -2.398 12.022 -1.884 1.00 61.14 O ATOM 1577 CB VAL A 95 -2.361 9.158 -2.969 1.00 15.35 C ATOM 1578 CG1 VAL A 95 -1.071 8.649 -2.279 1.00 34.13 C ATOM 1579 CG2 VAL A 95 -3.048 8.027 -3.777 1.00 70.21 C ATOM 0 H VAL A 95 -4.421 10.813 -3.462 1.00 13.14 H new ATOM 0 HA VAL A 95 -3.642 9.074 -1.185 1.00 54.51 H new ATOM 0 HB VAL A 95 -2.062 9.940 -3.667 1.00 15.35 H new ATOM 0 HG11 VAL A 95 -0.410 8.208 -3.024 1.00 34.13 H new ATOM 0 HG12 VAL A 95 -0.565 9.483 -1.793 1.00 34.13 H new ATOM 0 HG13 VAL A 95 -1.330 7.897 -1.533 1.00 34.13 H new ATOM 0 HG21 VAL A 95 -2.333 7.594 -4.477 1.00 70.21 H new ATOM 0 HG22 VAL A 95 -3.400 7.254 -3.094 1.00 70.21 H new ATOM 0 HG23 VAL A 95 -3.894 8.436 -4.329 1.00 70.21 H new ATOM 1589 N THR A 96 -2.514 10.928 0.100 1.00 14.34 N ATOM 1590 CA THR A 96 -1.725 11.898 0.898 1.00 74.25 C ATOM 1591 C THR A 96 -1.024 11.163 2.057 1.00 11.12 C ATOM 1592 O THR A 96 -1.676 10.438 2.801 1.00 65.40 O ATOM 1593 CB THR A 96 -2.629 13.050 1.473 1.00 35.30 C ATOM 1594 OG1 THR A 96 -3.256 13.760 0.392 1.00 5.22 O ATOM 1595 CG2 THR A 96 -1.842 14.058 2.344 1.00 32.44 C ATOM 0 H THR A 96 -2.916 10.177 0.661 1.00 14.34 H new ATOM 0 HA THR A 96 -0.984 12.351 0.239 1.00 74.25 H new ATOM 0 HB THR A 96 -3.374 12.574 2.111 1.00 35.30 H new ATOM 0 HG1 THR A 96 -2.949 13.392 -0.463 1.00 5.22 H new ATOM 0 HG21 THR A 96 -2.520 14.828 2.711 1.00 32.44 H new ATOM 0 HG22 THR A 96 -1.394 13.536 3.189 1.00 32.44 H new ATOM 0 HG23 THR A 96 -1.057 14.521 1.746 1.00 32.44 H new ATOM 1603 N TRP A 97 0.300 11.365 2.202 1.00 41.14 N ATOM 1604 CA TRP A 97 1.096 10.776 3.302 1.00 53.45 C ATOM 1605 C TRP A 97 0.809 11.466 4.649 1.00 3.00 C ATOM 1606 O TRP A 97 0.426 12.641 4.704 1.00 10.11 O ATOM 1607 CB TRP A 97 2.623 10.827 2.994 1.00 31.12 C ATOM 1608 CG TRP A 97 3.130 9.665 2.176 1.00 72.03 C ATOM 1609 CD1 TRP A 97 3.124 9.538 0.818 1.00 42.03 C ATOM 1610 CD2 TRP A 97 3.717 8.457 2.688 1.00 73.43 C ATOM 1611 NE1 TRP A 97 3.668 8.332 0.458 1.00 54.15 N ATOM 1612 CE2 TRP A 97 4.043 7.652 1.589 1.00 33.25 C ATOM 1613 CE3 TRP A 97 3.999 7.985 3.977 1.00 72.11 C ATOM 1614 CZ2 TRP A 97 4.639 6.400 1.731 1.00 44.23 C ATOM 1615 CZ3 TRP A 97 4.589 6.740 4.118 1.00 72.53 C ATOM 1616 CH2 TRP A 97 4.904 5.960 2.998 1.00 13.31 C ATOM 0 H TRP A 97 0.849 11.940 1.563 1.00 41.14 H new ATOM 0 HA TRP A 97 0.792 9.732 3.381 1.00 53.45 H new ATOM 0 HB2 TRP A 97 2.844 11.753 2.464 1.00 31.12 H new ATOM 0 HB3 TRP A 97 3.171 10.860 3.936 1.00 31.12 H new ATOM 0 HD1 TRP A 97 2.746 10.278 0.128 1.00 42.03 H new ATOM 0 HE1 TRP A 97 3.777 7.994 -0.498 1.00 54.15 H new ATOM 0 HE3 TRP A 97 3.760 8.582 4.845 1.00 72.11 H new ATOM 0 HZ2 TRP A 97 4.883 5.797 0.869 1.00 44.23 H new ATOM 0 HZ3 TRP A 97 4.810 6.365 5.106 1.00 72.53 H new ATOM 0 HH2 TRP A 97 5.365 4.993 3.138 1.00 13.31 H new ATOM 1627 N ASP A 98 1.004 10.691 5.721 1.00 41.32 N ATOM 1628 CA ASP A 98 0.876 11.136 7.117 1.00 71.45 C ATOM 1629 C ASP A 98 2.029 10.492 7.919 1.00 23.54 C ATOM 1630 O ASP A 98 1.859 9.447 8.568 1.00 33.02 O ATOM 1631 CB ASP A 98 -0.522 10.741 7.687 1.00 62.10 C ATOM 1632 CG ASP A 98 -0.733 11.138 9.169 1.00 44.11 C ATOM 1633 OD1 ASP A 98 -0.978 12.326 9.453 1.00 70.40 O ATOM 1634 OD2 ASP A 98 -0.667 10.260 10.056 1.00 43.21 O ATOM 0 H ASP A 98 1.263 9.708 5.641 1.00 41.32 H new ATOM 0 HA ASP A 98 0.946 12.221 7.189 1.00 71.45 H new ATOM 0 HB2 ASP A 98 -1.296 11.212 7.082 1.00 62.10 H new ATOM 0 HB3 ASP A 98 -0.652 9.663 7.588 1.00 62.10 H new ATOM 1639 N GLY A 99 3.226 11.088 7.771 1.00 4.42 N ATOM 1640 CA GLY A 99 4.444 10.640 8.450 1.00 32.44 C ATOM 1641 C GLY A 99 4.895 9.238 8.037 1.00 11.13 C ATOM 1642 O GLY A 99 5.506 9.066 6.982 1.00 23.21 O ATOM 0 H GLY A 99 3.371 11.900 7.171 1.00 4.42 H new ATOM 0 HA2 GLY A 99 5.247 11.347 8.242 1.00 32.44 H new ATOM 0 HA3 GLY A 99 4.276 10.656 9.527 1.00 32.44 H new ATOM 1646 N ASP A 100 4.557 8.235 8.868 1.00 72.33 N ATOM 1647 CA ASP A 100 4.963 6.819 8.659 1.00 4.22 C ATOM 1648 C ASP A 100 4.012 6.083 7.707 1.00 31.20 C ATOM 1649 O ASP A 100 4.404 5.106 7.054 1.00 43.43 O ATOM 1650 CB ASP A 100 4.993 6.057 10.011 1.00 3.32 C ATOM 1651 CG ASP A 100 6.008 6.623 11.008 1.00 15.21 C ATOM 1652 OD1 ASP A 100 5.655 7.553 11.762 1.00 45.13 O ATOM 1653 OD2 ASP A 100 7.165 6.142 11.043 1.00 1.31 O ATOM 0 H ASP A 100 3.994 8.376 9.707 1.00 72.33 H new ATOM 0 HA ASP A 100 5.958 6.841 8.214 1.00 4.22 H new ATOM 0 HB2 ASP A 100 4.000 6.088 10.459 1.00 3.32 H new ATOM 0 HB3 ASP A 100 5.226 5.009 9.823 1.00 3.32 H new ATOM 1658 N THR A 101 2.766 6.559 7.642 1.00 52.54 N ATOM 1659 CA THR A 101 1.659 5.846 6.993 1.00 33.30 C ATOM 1660 C THR A 101 0.996 6.742 5.934 1.00 61.24 C ATOM 1661 O THR A 101 0.779 7.923 6.183 1.00 73.02 O ATOM 1662 CB THR A 101 0.608 5.442 8.076 1.00 62.12 C ATOM 1663 OG1 THR A 101 1.260 4.734 9.148 1.00 22.45 O ATOM 1664 CG2 THR A 101 -0.518 4.577 7.504 1.00 21.25 C ATOM 0 H THR A 101 2.493 7.457 8.041 1.00 52.54 H new ATOM 0 HA THR A 101 2.045 4.953 6.501 1.00 33.30 H new ATOM 0 HB THR A 101 0.158 6.362 8.448 1.00 62.12 H new ATOM 0 HG1 THR A 101 0.598 4.484 9.826 1.00 22.45 H new ATOM 0 HG21 THR A 101 -1.221 4.324 8.297 1.00 21.25 H new ATOM 0 HG22 THR A 101 -1.038 5.128 6.720 1.00 21.25 H new ATOM 0 HG23 THR A 101 -0.098 3.662 7.086 1.00 21.25 H new ATOM 1672 N VAL A 102 0.659 6.176 4.761 1.00 32.11 N ATOM 1673 CA VAL A 102 -0.044 6.914 3.701 1.00 23.24 C ATOM 1674 C VAL A 102 -1.575 6.731 3.871 1.00 13.34 C ATOM 1675 O VAL A 102 -2.053 5.633 4.186 1.00 13.14 O ATOM 1676 CB VAL A 102 0.435 6.471 2.258 1.00 42.15 C ATOM 1677 CG1 VAL A 102 0.061 5.008 1.927 1.00 23.33 C ATOM 1678 CG2 VAL A 102 -0.074 7.444 1.168 1.00 52.35 C ATOM 0 H VAL A 102 0.864 5.205 4.525 1.00 32.11 H new ATOM 0 HA VAL A 102 0.199 7.972 3.796 1.00 23.24 H new ATOM 0 HB VAL A 102 1.524 6.518 2.267 1.00 42.15 H new ATOM 0 HG11 VAL A 102 0.414 4.760 0.926 1.00 23.33 H new ATOM 0 HG12 VAL A 102 0.527 4.340 2.652 1.00 23.33 H new ATOM 0 HG13 VAL A 102 -1.022 4.891 1.969 1.00 23.33 H new ATOM 0 HG21 VAL A 102 0.273 7.109 0.191 1.00 52.35 H new ATOM 0 HG22 VAL A 102 -1.164 7.464 1.178 1.00 52.35 H new ATOM 0 HG23 VAL A 102 0.309 8.445 1.366 1.00 52.35 H new ATOM 1688 N THR A 103 -2.317 7.829 3.708 1.00 4.22 N ATOM 1689 CA THR A 103 -3.782 7.861 3.768 1.00 14.13 C ATOM 1690 C THR A 103 -4.323 7.924 2.327 1.00 74.11 C ATOM 1691 O THR A 103 -4.187 8.950 1.650 1.00 2.01 O ATOM 1692 CB THR A 103 -4.270 9.107 4.583 1.00 74.31 C ATOM 1693 OG1 THR A 103 -3.602 9.144 5.858 1.00 52.04 O ATOM 1694 CG2 THR A 103 -5.800 9.109 4.793 1.00 12.40 C ATOM 0 H THR A 103 -1.906 8.744 3.526 1.00 4.22 H new ATOM 0 HA THR A 103 -4.151 6.966 4.269 1.00 14.13 H new ATOM 0 HB THR A 103 -4.021 9.996 4.003 1.00 74.31 H new ATOM 0 HG1 THR A 103 -3.908 9.925 6.365 1.00 52.04 H new ATOM 0 HG21 THR A 103 -6.088 9.992 5.363 1.00 12.40 H new ATOM 0 HG22 THR A 103 -6.300 9.123 3.825 1.00 12.40 H new ATOM 0 HG23 THR A 103 -6.093 8.213 5.340 1.00 12.40 H new ATOM 1702 N VAL A 104 -4.876 6.806 1.848 1.00 15.33 N ATOM 1703 CA VAL A 104 -5.438 6.686 0.495 1.00 51.31 C ATOM 1704 C VAL A 104 -6.929 6.372 0.620 1.00 13.45 C ATOM 1705 O VAL A 104 -7.296 5.305 1.099 1.00 11.50 O ATOM 1706 CB VAL A 104 -4.699 5.558 -0.322 1.00 62.04 C ATOM 1707 CG1 VAL A 104 -5.276 5.394 -1.751 1.00 3.44 C ATOM 1708 CG2 VAL A 104 -3.179 5.825 -0.359 1.00 42.43 C ATOM 0 H VAL A 104 -4.948 5.947 2.394 1.00 15.33 H new ATOM 0 HA VAL A 104 -5.299 7.623 -0.045 1.00 51.31 H new ATOM 0 HB VAL A 104 -4.872 4.614 0.194 1.00 62.04 H new ATOM 0 HG11 VAL A 104 -4.734 4.606 -2.274 1.00 3.44 H new ATOM 0 HG12 VAL A 104 -6.332 5.129 -1.689 1.00 3.44 H new ATOM 0 HG13 VAL A 104 -5.168 6.331 -2.297 1.00 3.44 H new ATOM 0 HG21 VAL A 104 -2.685 5.037 -0.927 1.00 42.43 H new ATOM 0 HG22 VAL A 104 -2.990 6.788 -0.834 1.00 42.43 H new ATOM 0 HG23 VAL A 104 -2.787 5.840 0.658 1.00 42.43 H new ATOM 1718 N GLU A 105 -7.787 7.314 0.221 1.00 2.33 N ATOM 1719 CA GLU A 105 -9.244 7.130 0.264 1.00 75.24 C ATOM 1720 C GLU A 105 -9.887 7.748 -0.974 1.00 2.42 C ATOM 1721 O GLU A 105 -9.464 8.809 -1.438 1.00 50.55 O ATOM 1722 CB GLU A 105 -9.834 7.666 1.608 1.00 71.42 C ATOM 1723 CG GLU A 105 -9.363 9.069 2.065 1.00 61.14 C ATOM 1724 CD GLU A 105 -10.124 10.242 1.424 1.00 51.34 C ATOM 1725 OE1 GLU A 105 -11.297 10.466 1.792 1.00 62.20 O ATOM 1726 OE2 GLU A 105 -9.548 10.957 0.574 1.00 64.24 O ATOM 0 H GLU A 105 -7.496 8.222 -0.140 1.00 2.33 H new ATOM 0 HA GLU A 105 -9.479 6.066 0.240 1.00 75.24 H new ATOM 0 HB2 GLU A 105 -10.920 7.684 1.519 1.00 71.42 H new ATOM 0 HB3 GLU A 105 -9.590 6.952 2.395 1.00 71.42 H new ATOM 0 HG2 GLU A 105 -9.464 9.136 3.148 1.00 61.14 H new ATOM 0 HG3 GLU A 105 -8.302 9.174 1.837 1.00 61.14 H new ATOM 1733 N GLY A 106 -10.890 7.054 -1.517 1.00 62.51 N ATOM 1734 CA GLY A 106 -11.508 7.426 -2.784 1.00 3.43 C ATOM 1735 C GLY A 106 -12.265 6.255 -3.388 1.00 71.14 C ATOM 1736 O GLY A 106 -12.766 5.395 -2.646 1.00 61.25 O ATOM 0 H GLY A 106 -11.293 6.221 -1.089 1.00 62.51 H new ATOM 0 HA2 GLY A 106 -12.190 8.262 -2.628 1.00 3.43 H new ATOM 0 HA3 GLY A 106 -10.741 7.765 -3.480 1.00 3.43 H new ATOM 1740 N GLN A 107 -12.339 6.221 -4.730 1.00 32.32 N ATOM 1741 CA GLN A 107 -13.110 5.212 -5.479 1.00 63.13 C ATOM 1742 C GLN A 107 -12.541 3.780 -5.293 1.00 24.15 C ATOM 1743 O GLN A 107 -11.325 3.586 -5.198 1.00 23.23 O ATOM 1744 CB GLN A 107 -13.145 5.587 -6.985 1.00 1.13 C ATOM 1745 CG GLN A 107 -11.773 5.584 -7.690 1.00 44.12 C ATOM 1746 CD GLN A 107 -11.858 5.957 -9.168 1.00 51.45 C ATOM 1747 OE1 GLN A 107 -12.070 5.096 -10.023 1.00 24.12 O ATOM 1748 NE2 GLN A 107 -11.689 7.235 -9.489 1.00 5.44 N ATOM 0 H GLN A 107 -11.863 6.896 -5.329 1.00 32.32 H new ATOM 0 HA GLN A 107 -14.124 5.208 -5.079 1.00 63.13 H new ATOM 0 HB2 GLN A 107 -13.804 4.890 -7.502 1.00 1.13 H new ATOM 0 HB3 GLN A 107 -13.587 6.578 -7.087 1.00 1.13 H new ATOM 0 HG2 GLN A 107 -11.109 6.284 -7.183 1.00 44.12 H new ATOM 0 HG3 GLN A 107 -11.325 4.595 -7.596 1.00 44.12 H new ATOM 0 HE21 GLN A 107 -11.515 7.926 -8.759 1.00 5.44 H new ATOM 0 HE22 GLN A 107 -11.733 7.526 -10.466 1.00 5.44 H new