USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 746 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 59 THR OG1 : rot 173:sc= 1.42 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0.88 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.852 (180deg=-0.036) USER MOD Single : A 2 LYS NZ :NH3+ -130:sc= 0 (180deg=-1.89!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 8 CYS SG : rot 120:sc= -0.762 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -34:sc= 0.908 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 19 ASN : amide:sc= -0.876 K(o=-0.88,f=-4!) USER MOD Single : A 20 ASN : amide:sc= -2.44! K(o=-2.4!,f=-1.1) USER MOD Single : A 25 MET CE :methyl -111:sc= -0.972 (180deg=-3.56!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.575 K(o=-0.57,f=-0.0027) USER MOD Single : A 30 ASN : amide:sc= -0.541 K(o=-0.54,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00212) USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= -0.688 (180deg=-1.5) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.163 USER MOD Single : A 55 THR OG1 : rot 54:sc= 1.27 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -0.0368 (180deg=-0.341) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 72 ASN : amide:sc= -2.6 K(o=-2.6,f=-6.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -151:sc= -0.621 USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= -1.02 (180deg=-1.09) USER MOD Single : A 84 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.037) USER MOD Single : A 85 GLN : amide:sc= -0.0648 X(o=-0.065,f=-0.065) USER MOD Single : A 88 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 91 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.039) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.638 0.542 -0.010 1.00 50.40 N ATOM 2 CA MET A 1 2.097 0.118 -1.328 1.00 33.14 C ATOM 3 C MET A 1 3.018 -1.093 -1.219 1.00 10.15 C ATOM 4 O MET A 1 3.696 -1.282 -0.208 1.00 15.50 O ATOM 5 CB MET A 1 2.824 1.265 -2.032 1.00 71.10 C ATOM 6 CG MET A 1 4.081 1.722 -1.309 1.00 55.55 C ATOM 7 SD MET A 1 3.753 3.017 -0.098 1.00 52.32 S ATOM 8 CE MET A 1 4.722 2.435 1.291 1.00 62.03 C ATOM 0 H1 MET A 1 0.613 0.717 -0.039 1.00 50.40 H new ATOM 0 H2 MET A 1 1.842 -0.204 0.685 1.00 50.40 H new ATOM 0 H3 MET A 1 2.131 1.416 0.265 1.00 50.40 H new ATOM 0 HA MET A 1 1.224 -0.164 -1.916 1.00 33.14 H new ATOM 0 HB2 MET A 1 3.089 0.951 -3.042 1.00 71.10 H new ATOM 0 HB3 MET A 1 2.143 2.110 -2.130 1.00 71.10 H new ATOM 0 HG2 MET A 1 4.538 0.869 -0.808 1.00 55.55 H new ATOM 0 HG3 MET A 1 4.803 2.087 -2.039 1.00 55.55 H new ATOM 0 HE1 MET A 1 4.621 3.133 2.123 1.00 62.03 H new ATOM 0 HE2 MET A 1 4.365 1.452 1.597 1.00 62.03 H new ATOM 0 HE3 MET A 1 5.770 2.366 1.000 1.00 62.03 H new ATOM 18 N LYS A 2 3.038 -1.911 -2.265 1.00 23.40 N ATOM 19 CA LYS A 2 3.877 -3.104 -2.288 1.00 11.01 C ATOM 20 C LYS A 2 4.892 -3.034 -3.424 1.00 51.44 C ATOM 21 O LYS A 2 4.668 -3.583 -4.502 1.00 61.54 O ATOM 22 CB LYS A 2 3.012 -4.358 -2.439 1.00 4.31 C ATOM 23 CG LYS A 2 2.499 -4.905 -1.118 1.00 64.44 C ATOM 24 CD LYS A 2 3.582 -5.666 -0.372 1.00 23.40 C ATOM 25 CE LYS A 2 3.855 -7.019 -1.012 1.00 32.12 C ATOM 26 NZ LYS A 2 4.375 -8.005 -0.024 1.00 60.05 N ATOM 0 H LYS A 2 2.483 -1.770 -3.109 1.00 23.40 H new ATOM 0 HA LYS A 2 4.419 -3.155 -1.343 1.00 11.01 H new ATOM 0 HB2 LYS A 2 2.162 -4.128 -3.082 1.00 4.31 H new ATOM 0 HB3 LYS A 2 3.592 -5.131 -2.942 1.00 4.31 H new ATOM 0 HG2 LYS A 2 2.138 -4.084 -0.499 1.00 64.44 H new ATOM 0 HG3 LYS A 2 1.650 -5.564 -1.301 1.00 64.44 H new ATOM 0 HD2 LYS A 2 4.499 -5.077 -0.359 1.00 23.40 H new ATOM 0 HD3 LYS A 2 3.280 -5.808 0.666 1.00 23.40 H new ATOM 0 HE2 LYS A 2 2.937 -7.402 -1.458 1.00 32.12 H new ATOM 0 HE3 LYS A 2 4.577 -6.900 -1.820 1.00 32.12 H new ATOM 0 HZ1 LYS A 2 5.232 -8.456 -0.402 1.00 60.05 H new ATOM 0 HZ2 LYS A 2 4.604 -7.517 0.866 1.00 60.05 H new ATOM 0 HZ3 LYS A 2 3.652 -8.731 0.155 1.00 60.05 H new ATOM 40 N GLN A 3 6.007 -2.355 -3.175 1.00 22.33 N ATOM 41 CA GLN A 3 7.056 -2.215 -4.178 1.00 1.23 C ATOM 42 C GLN A 3 7.575 -3.580 -4.618 1.00 10.34 C ATOM 43 O GLN A 3 8.198 -4.299 -3.837 1.00 63.53 O ATOM 44 CB GLN A 3 8.207 -1.371 -3.627 1.00 65.44 C ATOM 45 CG GLN A 3 9.157 -0.865 -4.701 1.00 5.34 C ATOM 46 CD GLN A 3 10.113 0.192 -4.183 1.00 12.34 C ATOM 47 OE1 GLN A 3 9.696 1.176 -3.570 1.00 31.31 O ATOM 48 NE2 GLN A 3 11.403 -0.005 -4.426 1.00 62.11 N ATOM 0 H GLN A 3 6.207 -1.893 -2.288 1.00 22.33 H new ATOM 0 HA GLN A 3 6.629 -1.713 -5.046 1.00 1.23 H new ATOM 0 HB2 GLN A 3 7.795 -0.519 -3.086 1.00 65.44 H new ATOM 0 HB3 GLN A 3 8.769 -1.964 -2.906 1.00 65.44 H new ATOM 0 HG2 GLN A 3 9.729 -1.703 -5.099 1.00 5.34 H new ATOM 0 HG3 GLN A 3 8.578 -0.453 -5.528 1.00 5.34 H new ATOM 0 HE21 GLN A 3 11.705 -0.834 -4.938 1.00 62.11 H new ATOM 0 HE22 GLN A 3 12.092 0.673 -4.101 1.00 62.11 H new ATOM 57 N VAL A 4 7.313 -3.930 -5.873 1.00 23.52 N ATOM 58 CA VAL A 4 7.754 -5.209 -6.417 1.00 65.12 C ATOM 59 C VAL A 4 8.701 -5.008 -7.595 1.00 51.43 C ATOM 60 O VAL A 4 8.497 -4.121 -8.425 1.00 54.15 O ATOM 61 CB VAL A 4 6.560 -6.067 -6.874 1.00 35.13 C ATOM 62 CG1 VAL A 4 7.042 -7.377 -7.478 1.00 3.12 C ATOM 63 CG2 VAL A 4 5.613 -6.324 -5.711 1.00 2.45 C ATOM 0 H VAL A 4 6.798 -3.346 -6.532 1.00 23.52 H new ATOM 0 HA VAL A 4 8.280 -5.729 -5.616 1.00 65.12 H new ATOM 0 HB VAL A 4 6.016 -5.519 -7.643 1.00 35.13 H new ATOM 0 HG11 VAL A 4 6.184 -7.969 -7.795 1.00 3.12 H new ATOM 0 HG12 VAL A 4 7.677 -7.169 -8.339 1.00 3.12 H new ATOM 0 HG13 VAL A 4 7.612 -7.933 -6.733 1.00 3.12 H new ATOM 0 HG21 VAL A 4 4.775 -6.932 -6.052 1.00 2.45 H new ATOM 0 HG22 VAL A 4 6.145 -6.851 -4.918 1.00 2.45 H new ATOM 0 HG23 VAL A 4 5.240 -5.374 -5.329 1.00 2.45 H new ATOM 73 N LEU A 5 9.737 -5.836 -7.663 1.00 20.21 N ATOM 74 CA LEU A 5 10.716 -5.750 -8.741 1.00 24.14 C ATOM 75 C LEU A 5 10.399 -6.752 -9.846 1.00 53.44 C ATOM 76 O LEU A 5 9.465 -7.545 -9.730 1.00 71.41 O ATOM 77 CB LEU A 5 12.124 -6.002 -8.198 1.00 44.21 C ATOM 78 CG LEU A 5 12.757 -4.851 -7.414 1.00 62.43 C ATOM 79 CD1 LEU A 5 14.153 -5.230 -6.945 1.00 4.20 C ATOM 80 CD2 LEU A 5 12.802 -3.589 -8.263 1.00 14.13 C ATOM 0 H LEU A 5 9.921 -6.575 -6.984 1.00 20.21 H new ATOM 0 HA LEU A 5 10.669 -4.746 -9.162 1.00 24.14 H new ATOM 0 HB2 LEU A 5 12.091 -6.880 -7.553 1.00 44.21 H new ATOM 0 HB3 LEU A 5 12.777 -6.247 -9.036 1.00 44.21 H new ATOM 0 HG LEU A 5 12.142 -4.653 -6.536 1.00 62.43 H new ATOM 0 HD11 LEU A 5 14.588 -4.399 -6.389 1.00 4.20 H new ATOM 0 HD12 LEU A 5 14.095 -6.107 -6.300 1.00 4.20 H new ATOM 0 HD13 LEU A 5 14.778 -5.456 -7.809 1.00 4.20 H new ATOM 0 HD21 LEU A 5 13.255 -2.781 -7.689 1.00 14.13 H new ATOM 0 HD22 LEU A 5 13.394 -3.774 -9.159 1.00 14.13 H new ATOM 0 HD23 LEU A 5 11.789 -3.307 -8.549 1.00 14.13 H new ATOM 92 N VAL A 6 11.183 -6.710 -10.919 1.00 22.13 N ATOM 93 CA VAL A 6 10.988 -7.616 -12.044 1.00 51.14 C ATOM 94 C VAL A 6 12.308 -7.911 -12.748 1.00 52.51 C ATOM 95 O VAL A 6 12.851 -7.060 -13.452 1.00 52.22 O ATOM 96 CB VAL A 6 9.992 -7.035 -13.066 1.00 44.01 C ATOM 97 CG1 VAL A 6 9.834 -7.975 -14.251 1.00 71.04 C ATOM 98 CG2 VAL A 6 8.649 -6.765 -12.406 1.00 12.11 C ATOM 0 H VAL A 6 11.959 -6.058 -11.032 1.00 22.13 H new ATOM 0 HA VAL A 6 10.582 -8.542 -11.638 1.00 51.14 H new ATOM 0 HB VAL A 6 10.387 -6.088 -13.434 1.00 44.01 H new ATOM 0 HG11 VAL A 6 9.127 -7.548 -14.962 1.00 71.04 H new ATOM 0 HG12 VAL A 6 10.800 -8.113 -14.738 1.00 71.04 H new ATOM 0 HG13 VAL A 6 9.462 -8.939 -13.904 1.00 71.04 H new ATOM 0 HG21 VAL A 6 7.958 -6.355 -13.142 1.00 12.11 H new ATOM 0 HG22 VAL A 6 8.245 -7.696 -12.008 1.00 12.11 H new ATOM 0 HG23 VAL A 6 8.780 -6.050 -11.594 1.00 12.11 H new ATOM 108 N ALA A 7 12.819 -9.122 -12.553 1.00 55.20 N ATOM 109 CA ALA A 7 14.074 -9.530 -13.171 1.00 71.11 C ATOM 110 C ALA A 7 13.865 -10.715 -14.107 1.00 72.44 C ATOM 111 O ALA A 7 14.135 -11.861 -13.744 1.00 53.20 O ATOM 112 CB ALA A 7 15.101 -9.874 -12.103 1.00 10.05 C ATOM 0 H ALA A 7 12.383 -9.838 -11.972 1.00 55.20 H new ATOM 0 HA ALA A 7 14.447 -8.694 -13.763 1.00 71.11 H new ATOM 0 HB1 ALA A 7 16.033 -10.177 -12.579 1.00 10.05 H new ATOM 0 HB2 ALA A 7 15.281 -9.000 -11.476 1.00 10.05 H new ATOM 0 HB3 ALA A 7 14.726 -10.691 -11.487 1.00 10.05 H new ATOM 118 N CYS A 8 13.382 -10.433 -15.312 1.00 64.35 N ATOM 119 CA CYS A 8 13.135 -11.477 -16.301 1.00 25.32 C ATOM 120 C CYS A 8 13.983 -11.255 -17.549 1.00 73.15 C ATOM 121 O CYS A 8 13.456 -11.019 -18.636 1.00 13.12 O ATOM 122 CB CYS A 8 11.653 -11.514 -16.675 1.00 42.34 C ATOM 123 SG CYS A 8 10.540 -11.703 -15.264 1.00 35.34 S ATOM 0 H CYS A 8 13.154 -9.490 -15.628 1.00 64.35 H new ATOM 0 HA CYS A 8 13.414 -12.434 -15.861 1.00 25.32 H new ATOM 0 HB2 CYS A 8 11.400 -10.595 -17.203 1.00 42.34 H new ATOM 0 HB3 CYS A 8 11.485 -12.337 -17.369 1.00 42.34 H new ATOM 0 HG CYS A 8 9.741 -10.680 -15.202 1.00 35.34 H new ATOM 129 N GLY A 9 15.300 -11.331 -17.386 1.00 21.01 N ATOM 130 CA GLY A 9 16.199 -11.134 -18.508 1.00 25.03 C ATOM 131 C GLY A 9 17.653 -11.074 -18.082 1.00 10.31 C ATOM 132 O GLY A 9 17.996 -10.391 -17.117 1.00 43.24 O ATOM 0 H GLY A 9 15.761 -11.525 -16.497 1.00 21.01 H new ATOM 0 HA2 GLY A 9 16.066 -11.946 -19.223 1.00 25.03 H new ATOM 0 HA3 GLY A 9 15.936 -10.210 -19.023 1.00 25.03 H new ATOM 136 N ALA A 10 18.509 -11.792 -18.802 1.00 1.44 N ATOM 137 CA ALA A 10 19.933 -11.816 -18.493 1.00 64.50 C ATOM 138 C ALA A 10 20.756 -11.266 -19.653 1.00 62.31 C ATOM 139 O ALA A 10 21.510 -11.997 -20.294 1.00 21.31 O ATOM 140 CB ALA A 10 20.375 -13.233 -18.155 1.00 5.52 C ATOM 0 H ALA A 10 18.241 -12.364 -19.603 1.00 1.44 H new ATOM 0 HA ALA A 10 20.103 -11.177 -17.626 1.00 64.50 H new ATOM 0 HB1 ALA A 10 21.441 -13.237 -17.926 1.00 5.52 H new ATOM 0 HB2 ALA A 10 19.817 -13.592 -17.290 1.00 5.52 H new ATOM 0 HB3 ALA A 10 20.184 -13.886 -19.006 1.00 5.52 H new ATOM 146 N GLY A 11 20.605 -9.972 -19.918 1.00 63.14 N ATOM 147 CA GLY A 11 21.340 -9.346 -21.002 1.00 63.42 C ATOM 148 C GLY A 11 20.461 -9.043 -22.199 1.00 44.23 C ATOM 149 O GLY A 11 20.037 -7.903 -22.393 1.00 32.24 O ATOM 0 H GLY A 11 19.987 -9.346 -19.402 1.00 63.14 H new ATOM 0 HA2 GLY A 11 21.792 -8.421 -20.644 1.00 63.42 H new ATOM 0 HA3 GLY A 11 22.155 -10.001 -21.310 1.00 63.42 H new ATOM 153 N ILE A 12 20.189 -10.063 -23.005 1.00 61.34 N ATOM 154 CA ILE A 12 19.356 -9.899 -24.190 1.00 32.31 C ATOM 155 C ILE A 12 17.897 -10.222 -23.885 1.00 20.31 C ATOM 156 O ILE A 12 17.472 -11.373 -23.981 1.00 24.31 O ATOM 157 CB ILE A 12 19.838 -10.796 -25.346 1.00 15.12 C ATOM 158 CG1 ILE A 12 21.291 -10.473 -25.699 1.00 53.22 C ATOM 159 CG2 ILE A 12 18.940 -10.621 -26.561 1.00 74.04 C ATOM 160 CD1 ILE A 12 21.852 -11.343 -26.802 1.00 2.02 C ATOM 0 H ILE A 12 20.533 -11.012 -22.859 1.00 61.34 H new ATOM 0 HA ILE A 12 19.439 -8.855 -24.492 1.00 32.31 H new ATOM 0 HB ILE A 12 19.785 -11.837 -25.026 1.00 15.12 H new ATOM 0 HG12 ILE A 12 21.359 -9.428 -26.001 1.00 53.22 H new ATOM 0 HG13 ILE A 12 21.907 -10.588 -24.807 1.00 53.22 H new ATOM 0 HG21 ILE A 12 19.293 -11.261 -27.370 1.00 74.04 H new ATOM 0 HG22 ILE A 12 17.918 -10.896 -26.301 1.00 74.04 H new ATOM 0 HG23 ILE A 12 18.965 -9.580 -26.885 1.00 74.04 H new ATOM 0 HD11 ILE A 12 22.885 -11.058 -27.000 1.00 2.02 H new ATOM 0 HD12 ILE A 12 21.816 -12.388 -26.495 1.00 2.02 H new ATOM 0 HD13 ILE A 12 21.259 -11.210 -27.707 1.00 2.02 H new ATOM 172 N ALA A 13 17.134 -9.198 -23.518 1.00 50.34 N ATOM 173 CA ALA A 13 15.722 -9.372 -23.203 1.00 55.52 C ATOM 174 C ALA A 13 15.036 -8.026 -22.993 1.00 42.41 C ATOM 175 O ALA A 13 15.677 -7.041 -22.624 1.00 23.13 O ATOM 176 CB ALA A 13 15.560 -10.247 -21.969 1.00 1.51 C ATOM 0 H ALA A 13 17.470 -8.239 -23.432 1.00 50.34 H new ATOM 0 HA ALA A 13 15.245 -9.865 -24.050 1.00 55.52 H new ATOM 0 HB1 ALA A 13 14.500 -10.368 -21.746 1.00 1.51 H new ATOM 0 HB2 ALA A 13 16.006 -11.224 -22.155 1.00 1.51 H new ATOM 0 HB3 ALA A 13 16.058 -9.776 -21.121 1.00 1.51 H new ATOM 182 N THR A 14 13.729 -7.989 -23.231 1.00 52.44 N ATOM 183 CA THR A 14 12.957 -6.763 -23.070 1.00 72.12 C ATOM 184 C THR A 14 12.330 -6.686 -21.683 1.00 22.53 C ATOM 185 O THR A 14 12.222 -5.608 -21.098 1.00 64.44 O ATOM 186 CB THR A 14 11.844 -6.656 -24.130 1.00 63.31 C ATOM 187 OG1 THR A 14 10.959 -7.777 -24.025 1.00 53.34 O ATOM 188 CG2 THR A 14 12.435 -6.600 -25.531 1.00 10.41 C ATOM 0 H THR A 14 13.182 -8.794 -23.536 1.00 52.44 H new ATOM 0 HA THR A 14 13.652 -5.933 -23.198 1.00 72.12 H new ATOM 0 HB THR A 14 11.288 -5.736 -23.950 1.00 63.31 H new ATOM 0 HG1 THR A 14 10.253 -7.701 -24.701 1.00 53.34 H new ATOM 0 HG21 THR A 14 11.630 -6.525 -26.263 1.00 10.41 H new ATOM 0 HG22 THR A 14 13.086 -5.730 -25.617 1.00 10.41 H new ATOM 0 HG23 THR A 14 13.012 -7.505 -25.719 1.00 10.41 H new ATOM 196 N SER A 15 11.919 -7.837 -21.160 1.00 33.21 N ATOM 197 CA SER A 15 11.300 -7.900 -19.841 1.00 55.32 C ATOM 198 C SER A 15 10.139 -6.915 -19.739 1.00 1.53 C ATOM 199 O SER A 15 9.912 -6.310 -18.690 1.00 30.32 O ATOM 200 CB SER A 15 12.334 -7.602 -18.754 1.00 51.41 C ATOM 201 OG SER A 15 12.508 -6.205 -18.584 1.00 74.45 O ATOM 0 H SER A 15 12.004 -8.739 -21.630 1.00 33.21 H new ATOM 0 HA SER A 15 10.912 -8.908 -19.696 1.00 55.32 H new ATOM 0 HB2 SER A 15 12.015 -8.049 -17.812 1.00 51.41 H new ATOM 0 HB3 SER A 15 13.287 -8.061 -19.018 1.00 51.41 H new ATOM 0 HG SER A 15 12.405 -5.755 -19.448 1.00 74.45 H new ATOM 207 N THR A 16 9.406 -6.757 -20.837 1.00 10.14 N ATOM 208 CA THR A 16 8.270 -5.845 -20.872 1.00 73.05 C ATOM 209 C THR A 16 6.951 -6.607 -20.813 1.00 71.31 C ATOM 210 O THR A 16 5.982 -6.146 -20.209 1.00 25.43 O ATOM 211 CB THR A 16 8.289 -4.973 -22.142 1.00 71.22 C ATOM 212 OG1 THR A 16 9.632 -4.585 -22.449 1.00 44.34 O ATOM 213 CG2 THR A 16 7.426 -3.734 -21.961 1.00 1.44 C ATOM 0 H THR A 16 9.579 -7.249 -21.714 1.00 10.14 H new ATOM 0 HA THR A 16 8.354 -5.201 -19.996 1.00 73.05 H new ATOM 0 HB THR A 16 7.884 -5.561 -22.966 1.00 71.22 H new ATOM 0 HG1 THR A 16 9.636 -4.032 -23.258 1.00 44.34 H new ATOM 0 HG21 THR A 16 7.455 -3.134 -22.871 1.00 1.44 H new ATOM 0 HG22 THR A 16 6.398 -4.033 -21.757 1.00 1.44 H new ATOM 0 HG23 THR A 16 7.805 -3.145 -21.126 1.00 1.44 H new ATOM 221 N VAL A 17 6.920 -7.777 -21.444 1.00 32.13 N ATOM 222 CA VAL A 17 5.720 -8.605 -21.461 1.00 14.31 C ATOM 223 C VAL A 17 5.184 -8.825 -20.051 1.00 31.23 C ATOM 224 O VAL A 17 3.999 -8.619 -19.786 1.00 25.14 O ATOM 225 CB VAL A 17 5.990 -9.973 -22.115 1.00 44.41 C ATOM 226 CG1 VAL A 17 4.745 -10.844 -22.066 1.00 73.11 C ATOM 227 CG2 VAL A 17 6.469 -9.792 -23.548 1.00 31.12 C ATOM 0 H VAL A 17 7.712 -8.173 -21.950 1.00 32.13 H new ATOM 0 HA VAL A 17 4.975 -8.070 -22.050 1.00 14.31 H new ATOM 0 HB VAL A 17 6.777 -10.476 -21.553 1.00 44.41 H new ATOM 0 HG11 VAL A 17 4.956 -11.806 -22.533 1.00 73.11 H new ATOM 0 HG12 VAL A 17 4.451 -11.001 -21.028 1.00 73.11 H new ATOM 0 HG13 VAL A 17 3.934 -10.350 -22.602 1.00 73.11 H new ATOM 0 HG21 VAL A 17 6.655 -10.768 -23.995 1.00 31.12 H new ATOM 0 HG22 VAL A 17 5.705 -9.269 -24.124 1.00 31.12 H new ATOM 0 HG23 VAL A 17 7.390 -9.209 -23.553 1.00 31.12 H new ATOM 237 N VAL A 18 6.065 -9.245 -19.148 1.00 35.20 N ATOM 238 CA VAL A 18 5.681 -9.492 -17.763 1.00 70.52 C ATOM 239 C VAL A 18 5.051 -8.253 -17.138 1.00 33.11 C ATOM 240 O VAL A 18 3.890 -8.273 -16.730 1.00 62.23 O ATOM 241 CB VAL A 18 6.892 -9.923 -16.914 1.00 35.41 C ATOM 242 CG1 VAL A 18 6.445 -10.342 -15.521 1.00 41.04 C ATOM 243 CG2 VAL A 18 7.650 -11.049 -17.601 1.00 31.24 C ATOM 0 H VAL A 18 7.049 -9.421 -19.351 1.00 35.20 H new ATOM 0 HA VAL A 18 4.950 -10.300 -17.776 1.00 70.52 H new ATOM 0 HB VAL A 18 7.565 -9.072 -16.813 1.00 35.41 H new ATOM 0 HG11 VAL A 18 7.314 -10.643 -14.935 1.00 41.04 H new ATOM 0 HG12 VAL A 18 5.950 -9.504 -15.030 1.00 41.04 H new ATOM 0 HG13 VAL A 18 5.751 -11.179 -15.598 1.00 41.04 H new ATOM 0 HG21 VAL A 18 8.502 -11.341 -16.988 1.00 31.24 H new ATOM 0 HG22 VAL A 18 6.988 -11.905 -17.734 1.00 31.24 H new ATOM 0 HG23 VAL A 18 8.003 -10.709 -18.574 1.00 31.24 H new ATOM 253 N ASN A 19 5.824 -7.175 -17.066 1.00 43.20 N ATOM 254 CA ASN A 19 5.342 -5.925 -16.490 1.00 54.10 C ATOM 255 C ASN A 19 4.022 -5.505 -17.130 1.00 41.43 C ATOM 256 O ASN A 19 3.005 -5.374 -16.451 1.00 11.21 O ATOM 257 CB ASN A 19 6.384 -4.820 -16.671 1.00 40.41 C ATOM 258 CG ASN A 19 5.834 -3.446 -16.338 1.00 22.11 C ATOM 259 OD1 ASN A 19 5.087 -3.282 -15.373 1.00 50.44 O ATOM 260 ND2 ASN A 19 6.203 -2.452 -17.137 1.00 54.32 N ATOM 0 H ASN A 19 6.787 -7.142 -17.399 1.00 43.20 H new ATOM 0 HA ASN A 19 5.174 -6.085 -15.425 1.00 54.10 H new ATOM 0 HB2 ASN A 19 7.244 -5.028 -16.035 1.00 40.41 H new ATOM 0 HB3 ASN A 19 6.741 -4.826 -17.701 1.00 40.41 H new ATOM 0 HD21 ASN A 19 5.866 -1.505 -16.963 1.00 54.32 H new ATOM 0 HD22 ASN A 19 6.824 -2.635 -17.925 1.00 54.32 H new ATOM 267 N ASN A 20 4.048 -5.295 -18.443 1.00 34.34 N ATOM 268 CA ASN A 20 2.854 -4.890 -19.175 1.00 55.12 C ATOM 269 C ASN A 20 1.687 -5.826 -18.875 1.00 30.13 C ATOM 270 O ASN A 20 0.533 -5.401 -18.825 1.00 4.53 O ATOM 271 CB ASN A 20 3.134 -4.873 -20.679 1.00 50.23 C ATOM 272 CG ASN A 20 3.698 -3.545 -21.147 1.00 63.31 C ATOM 273 OD1 ASN A 20 3.153 -2.909 -22.049 1.00 73.51 O ATOM 274 ND2 ASN A 20 4.797 -3.121 -20.534 1.00 42.21 N ATOM 0 H ASN A 20 4.882 -5.399 -19.021 1.00 34.34 H new ATOM 0 HA ASN A 20 2.583 -3.885 -18.850 1.00 55.12 H new ATOM 0 HB2 ASN A 20 3.836 -5.670 -20.924 1.00 50.23 H new ATOM 0 HB3 ASN A 20 2.212 -5.084 -21.220 1.00 50.23 H new ATOM 0 HD21 ASN A 20 5.223 -2.235 -20.806 1.00 42.21 H new ATOM 0 HD22 ASN A 20 5.215 -3.681 -19.791 1.00 42.21 H new ATOM 281 N ALA A 21 1.996 -7.103 -18.675 1.00 24.01 N ATOM 282 CA ALA A 21 0.975 -8.099 -18.377 1.00 32.04 C ATOM 283 C ALA A 21 0.392 -7.887 -16.984 1.00 34.03 C ATOM 284 O ALA A 21 -0.818 -7.722 -16.826 1.00 35.41 O ATOM 285 CB ALA A 21 1.552 -9.501 -18.501 1.00 64.14 C ATOM 0 H ALA A 21 2.946 -7.472 -18.714 1.00 24.01 H new ATOM 0 HA ALA A 21 0.169 -7.985 -19.102 1.00 32.04 H new ATOM 0 HB1 ALA A 21 0.778 -10.234 -18.275 1.00 64.14 H new ATOM 0 HB2 ALA A 21 1.914 -9.657 -19.517 1.00 64.14 H new ATOM 0 HB3 ALA A 21 2.378 -9.618 -17.799 1.00 64.14 H new ATOM 291 N ILE A 22 1.259 -7.893 -15.977 1.00 72.11 N ATOM 292 CA ILE A 22 0.829 -7.701 -14.598 1.00 13.03 C ATOM 293 C ILE A 22 0.042 -6.404 -14.443 1.00 3.33 C ATOM 294 O ILE A 22 -1.088 -6.406 -13.956 1.00 22.41 O ATOM 295 CB ILE A 22 2.028 -7.680 -13.632 1.00 0.32 C ATOM 296 CG1 ILE A 22 2.799 -8.999 -13.712 1.00 50.22 C ATOM 297 CG2 ILE A 22 1.557 -7.421 -12.208 1.00 42.04 C ATOM 298 CD1 ILE A 22 1.951 -10.214 -13.406 1.00 43.24 C ATOM 0 H ILE A 22 2.264 -8.029 -16.091 1.00 72.11 H new ATOM 0 HA ILE A 22 0.186 -8.545 -14.347 1.00 13.03 H new ATOM 0 HB ILE A 22 2.697 -6.871 -13.925 1.00 0.32 H new ATOM 0 HG12 ILE A 22 3.222 -9.103 -14.711 1.00 50.22 H new ATOM 0 HG13 ILE A 22 3.635 -8.965 -13.014 1.00 50.22 H new ATOM 0 HG21 ILE A 22 2.416 -7.409 -11.537 1.00 42.04 H new ATOM 0 HG22 ILE A 22 1.048 -6.458 -12.163 1.00 42.04 H new ATOM 0 HG23 ILE A 22 0.869 -8.210 -11.903 1.00 42.04 H new ATOM 0 HD11 ILE A 22 2.563 -11.113 -13.482 1.00 43.24 H new ATOM 0 HD12 ILE A 22 1.549 -10.132 -12.396 1.00 43.24 H new ATOM 0 HD13 ILE A 22 1.129 -10.273 -14.120 1.00 43.24 H new ATOM 310 N GLU A 23 0.648 -5.297 -14.862 1.00 21.12 N ATOM 311 CA GLU A 23 0.003 -3.992 -14.770 1.00 63.41 C ATOM 312 C GLU A 23 -1.383 -4.025 -15.406 1.00 53.05 C ATOM 313 O GLU A 23 -2.300 -3.339 -14.956 1.00 41.40 O ATOM 314 CB GLU A 23 0.863 -2.925 -15.450 1.00 4.25 C ATOM 315 CG GLU A 23 0.886 -3.035 -16.965 1.00 25.42 C ATOM 316 CD GLU A 23 1.647 -1.900 -17.621 1.00 43.31 C ATOM 317 OE1 GLU A 23 1.449 -1.676 -18.834 1.00 32.32 O ATOM 318 OE2 GLU A 23 2.441 -1.235 -16.923 1.00 11.11 O ATOM 0 H GLU A 23 1.584 -5.278 -15.268 1.00 21.12 H new ATOM 0 HA GLU A 23 -0.106 -3.742 -13.715 1.00 63.41 H new ATOM 0 HB2 GLU A 23 0.491 -1.939 -15.172 1.00 4.25 H new ATOM 0 HB3 GLU A 23 1.883 -2.999 -15.073 1.00 4.25 H new ATOM 0 HG2 GLU A 23 1.340 -3.984 -17.250 1.00 25.42 H new ATOM 0 HG3 GLU A 23 -0.137 -3.046 -17.340 1.00 25.42 H new ATOM 325 N GLU A 24 -1.527 -4.827 -16.457 1.00 34.23 N ATOM 326 CA GLU A 24 -2.801 -4.948 -17.156 1.00 14.13 C ATOM 327 C GLU A 24 -3.869 -5.542 -16.242 1.00 33.12 C ATOM 328 O GLU A 24 -5.048 -5.203 -16.345 1.00 3.35 O ATOM 329 CB GLU A 24 -2.643 -5.817 -18.405 1.00 64.10 C ATOM 330 CG GLU A 24 -3.827 -5.741 -19.354 1.00 31.43 C ATOM 331 CD GLU A 24 -3.797 -4.502 -20.227 1.00 62.20 C ATOM 332 OE1 GLU A 24 -2.686 -4.050 -20.576 1.00 71.32 O ATOM 333 OE2 GLU A 24 -4.883 -3.984 -20.561 1.00 62.40 O ATOM 0 H GLU A 24 -0.778 -5.402 -16.842 1.00 34.23 H new ATOM 0 HA GLU A 24 -3.118 -3.949 -17.455 1.00 14.13 H new ATOM 0 HB2 GLU A 24 -1.742 -5.513 -18.937 1.00 64.10 H new ATOM 0 HB3 GLU A 24 -2.499 -6.853 -18.100 1.00 64.10 H new ATOM 0 HG2 GLU A 24 -3.837 -6.627 -19.988 1.00 31.43 H new ATOM 0 HG3 GLU A 24 -4.752 -5.752 -18.777 1.00 31.43 H new ATOM 340 N MET A 25 -3.447 -6.431 -15.349 1.00 34.23 N ATOM 341 CA MET A 25 -4.367 -7.072 -14.416 1.00 70.51 C ATOM 342 C MET A 25 -4.520 -6.242 -13.146 1.00 21.13 C ATOM 343 O MET A 25 -5.628 -6.058 -12.643 1.00 21.42 O ATOM 344 CB MET A 25 -3.874 -8.477 -14.065 1.00 24.33 C ATOM 345 CG MET A 25 -3.492 -9.309 -15.279 1.00 2.43 C ATOM 346 SD MET A 25 -4.850 -9.492 -16.450 1.00 72.01 S ATOM 347 CE MET A 25 -4.026 -9.093 -17.989 1.00 50.15 C ATOM 0 H MET A 25 -2.475 -6.724 -15.252 1.00 34.23 H new ATOM 0 HA MET A 25 -5.341 -7.147 -14.899 1.00 70.51 H new ATOM 0 HB2 MET A 25 -3.011 -8.396 -13.405 1.00 24.33 H new ATOM 0 HB3 MET A 25 -4.653 -8.998 -13.509 1.00 24.33 H new ATOM 0 HG2 MET A 25 -2.644 -8.843 -15.782 1.00 2.43 H new ATOM 0 HG3 MET A 25 -3.165 -10.296 -14.950 1.00 2.43 H new ATOM 0 HE1 MET A 25 -4.400 -8.141 -18.366 1.00 50.15 H new ATOM 0 HE2 MET A 25 -2.952 -9.019 -17.818 1.00 50.15 H new ATOM 0 HE3 MET A 25 -4.223 -9.876 -18.721 1.00 50.15 H new ATOM 357 N ALA A 26 -3.400 -5.743 -12.632 1.00 73.00 N ATOM 358 CA ALA A 26 -3.411 -4.931 -11.422 1.00 1.04 C ATOM 359 C ALA A 26 -4.420 -3.793 -11.532 1.00 74.54 C ATOM 360 O ALA A 26 -5.120 -3.474 -10.571 1.00 20.21 O ATOM 361 CB ALA A 26 -2.020 -4.380 -11.144 1.00 12.23 C ATOM 0 H ALA A 26 -2.474 -5.887 -13.035 1.00 73.00 H new ATOM 0 HA ALA A 26 -3.711 -5.568 -10.590 1.00 1.04 H new ATOM 0 HB1 ALA A 26 -2.043 -3.775 -10.237 1.00 12.23 H new ATOM 0 HB2 ALA A 26 -1.321 -5.206 -11.012 1.00 12.23 H new ATOM 0 HB3 ALA A 26 -1.698 -3.763 -11.983 1.00 12.23 H new ATOM 367 N LYS A 27 -4.491 -3.184 -12.711 1.00 61.00 N ATOM 368 CA LYS A 27 -5.415 -2.082 -12.949 1.00 12.32 C ATOM 369 C LYS A 27 -6.859 -2.528 -12.742 1.00 10.13 C ATOM 370 O LYS A 27 -7.703 -1.746 -12.305 1.00 24.05 O ATOM 371 CB LYS A 27 -5.237 -1.537 -14.368 1.00 12.22 C ATOM 372 CG LYS A 27 -5.815 -2.441 -15.443 1.00 44.32 C ATOM 373 CD LYS A 27 -7.236 -2.042 -15.803 1.00 31.03 C ATOM 374 CE LYS A 27 -7.262 -1.053 -16.958 1.00 14.12 C ATOM 375 NZ LYS A 27 -8.654 -0.691 -17.347 1.00 24.41 N ATOM 0 H LYS A 27 -3.919 -3.436 -13.517 1.00 61.00 H new ATOM 0 HA LYS A 27 -5.191 -1.292 -12.232 1.00 12.32 H new ATOM 0 HB2 LYS A 27 -5.712 -0.558 -14.434 1.00 12.22 H new ATOM 0 HB3 LYS A 27 -4.174 -1.390 -14.561 1.00 12.22 H new ATOM 0 HG2 LYS A 27 -5.187 -2.397 -16.333 1.00 44.32 H new ATOM 0 HG3 LYS A 27 -5.803 -3.474 -15.096 1.00 44.32 H new ATOM 0 HD2 LYS A 27 -7.808 -2.931 -16.071 1.00 31.03 H new ATOM 0 HD3 LYS A 27 -7.722 -1.600 -14.933 1.00 31.03 H new ATOM 0 HE2 LYS A 27 -6.717 -0.152 -16.677 1.00 14.12 H new ATOM 0 HE3 LYS A 27 -6.745 -1.483 -17.816 1.00 14.12 H new ATOM 0 HZ1 LYS A 27 -8.629 -0.015 -18.137 1.00 24.41 H new ATOM 0 HZ2 LYS A 27 -9.166 -1.547 -17.640 1.00 24.41 H new ATOM 0 HZ3 LYS A 27 -9.139 -0.257 -16.536 1.00 24.41 H new ATOM 389 N GLU A 28 -7.135 -3.790 -13.057 1.00 41.52 N ATOM 390 CA GLU A 28 -8.477 -4.338 -12.904 1.00 72.44 C ATOM 391 C GLU A 28 -8.756 -4.695 -11.447 1.00 74.32 C ATOM 392 O GLU A 28 -9.878 -4.542 -10.963 1.00 32.32 O ATOM 393 CB GLU A 28 -8.649 -5.577 -13.786 1.00 71.02 C ATOM 394 CG GLU A 28 -10.073 -6.105 -13.823 1.00 34.23 C ATOM 395 CD GLU A 28 -10.939 -5.380 -14.835 1.00 2.13 C ATOM 396 OE1 GLU A 28 -10.461 -4.384 -15.418 1.00 22.31 O ATOM 397 OE2 GLU A 28 -12.093 -5.807 -15.043 1.00 74.13 O ATOM 0 H GLU A 28 -6.448 -4.451 -13.419 1.00 41.52 H new ATOM 0 HA GLU A 28 -9.191 -3.576 -13.216 1.00 72.44 H new ATOM 0 HB2 GLU A 28 -8.333 -5.337 -14.801 1.00 71.02 H new ATOM 0 HB3 GLU A 28 -7.988 -6.365 -13.425 1.00 71.02 H new ATOM 0 HG2 GLU A 28 -10.056 -7.169 -14.061 1.00 34.23 H new ATOM 0 HG3 GLU A 28 -10.518 -6.007 -12.833 1.00 34.23 H new ATOM 404 N HIS A 29 -7.728 -5.173 -10.753 1.00 42.44 N ATOM 405 CA HIS A 29 -7.862 -5.552 -9.351 1.00 45.33 C ATOM 406 C HIS A 29 -7.926 -4.316 -8.458 1.00 71.43 C ATOM 407 O HIS A 29 -8.552 -4.336 -7.400 1.00 35.23 O ATOM 408 CB HIS A 29 -6.692 -6.441 -8.928 1.00 10.12 C ATOM 409 CG HIS A 29 -6.641 -7.750 -9.654 1.00 50.32 C ATOM 410 ND1 HIS A 29 -7.513 -8.787 -9.399 1.00 11.24 N ATOM 411 CD2 HIS A 29 -5.817 -8.186 -10.635 1.00 25.52 C ATOM 412 CE1 HIS A 29 -7.226 -9.805 -10.189 1.00 71.53 C ATOM 413 NE2 HIS A 29 -6.201 -9.467 -10.950 1.00 3.33 N ATOM 0 H HIS A 29 -6.793 -5.307 -11.139 1.00 42.44 H new ATOM 0 HA HIS A 29 -8.792 -6.109 -9.237 1.00 45.33 H new ATOM 0 HB2 HIS A 29 -5.759 -5.904 -9.098 1.00 10.12 H new ATOM 0 HB3 HIS A 29 -6.760 -6.631 -7.857 1.00 10.12 H new ATOM 0 HD2 HIS A 29 -5.008 -7.630 -11.086 1.00 25.52 H new ATOM 0 HE1 HIS A 29 -7.742 -10.754 -10.209 1.00 71.53 H new ATOM 0 HE2 HIS A 29 -5.765 -10.060 -11.656 1.00 3.33 H new ATOM 421 N ASN A 30 -7.273 -3.243 -8.893 1.00 34.22 N ATOM 422 CA ASN A 30 -7.256 -1.999 -8.132 1.00 23.22 C ATOM 423 C ASN A 30 -6.526 -2.184 -6.804 1.00 55.25 C ATOM 424 O ASN A 30 -6.953 -1.664 -5.773 1.00 0.11 O ATOM 425 CB ASN A 30 -8.684 -1.512 -7.878 1.00 43.35 C ATOM 426 CG ASN A 30 -9.604 -1.783 -9.053 1.00 32.54 C ATOM 427 OD1 ASN A 30 -9.304 -1.417 -10.189 1.00 21.21 O ATOM 428 ND2 ASN A 30 -10.733 -2.429 -8.782 1.00 40.22 N ATOM 0 H ASN A 30 -6.749 -3.210 -9.768 1.00 34.22 H new ATOM 0 HA ASN A 30 -6.723 -1.251 -8.719 1.00 23.22 H new ATOM 0 HB2 ASN A 30 -9.080 -2.003 -6.989 1.00 43.35 H new ATOM 0 HB3 ASN A 30 -8.669 -0.442 -7.671 1.00 43.35 H new ATOM 0 HD21 ASN A 30 -11.392 -2.640 -9.531 1.00 40.22 H new ATOM 0 HD22 ASN A 30 -10.941 -2.714 -7.825 1.00 40.22 H new ATOM 435 N ILE A 31 -5.425 -2.927 -6.839 1.00 53.51 N ATOM 436 CA ILE A 31 -4.636 -3.178 -5.640 1.00 31.03 C ATOM 437 C ILE A 31 -3.469 -2.202 -5.535 1.00 13.14 C ATOM 438 O ILE A 31 -2.941 -1.737 -6.545 1.00 13.31 O ATOM 439 CB ILE A 31 -4.090 -4.618 -5.617 1.00 1.22 C ATOM 440 CG1 ILE A 31 -5.217 -5.619 -5.879 1.00 14.54 C ATOM 441 CG2 ILE A 31 -3.416 -4.908 -4.284 1.00 10.41 C ATOM 442 CD1 ILE A 31 -4.734 -7.041 -6.052 1.00 72.43 C ATOM 0 H ILE A 31 -5.059 -3.365 -7.684 1.00 53.51 H new ATOM 0 HA ILE A 31 -5.302 -3.037 -4.789 1.00 31.03 H new ATOM 0 HB ILE A 31 -3.347 -4.721 -6.408 1.00 1.22 H new ATOM 0 HG12 ILE A 31 -5.924 -5.582 -5.050 1.00 14.54 H new ATOM 0 HG13 ILE A 31 -5.760 -5.317 -6.775 1.00 14.54 H new ATOM 0 HG21 ILE A 31 -3.035 -5.929 -4.283 1.00 10.41 H new ATOM 0 HG22 ILE A 31 -2.590 -4.213 -4.135 1.00 10.41 H new ATOM 0 HG23 ILE A 31 -4.139 -4.790 -3.477 1.00 10.41 H new ATOM 0 HD11 ILE A 31 -5.587 -7.695 -6.234 1.00 72.43 H new ATOM 0 HD12 ILE A 31 -4.050 -7.092 -6.899 1.00 72.43 H new ATOM 0 HD13 ILE A 31 -4.217 -7.362 -5.148 1.00 72.43 H new ATOM 454 N LYS A 32 -3.070 -1.896 -4.305 1.00 23.32 N ATOM 455 CA LYS A 32 -1.963 -0.978 -4.066 1.00 2.14 C ATOM 456 C LYS A 32 -0.624 -1.654 -4.345 1.00 34.34 C ATOM 457 O LYS A 32 0.168 -1.885 -3.431 1.00 44.35 O ATOM 458 CB LYS A 32 -1.998 -0.469 -2.623 1.00 31.03 C ATOM 459 CG LYS A 32 -2.871 0.759 -2.432 1.00 43.51 C ATOM 460 CD LYS A 32 -4.346 0.396 -2.398 1.00 24.15 C ATOM 461 CE LYS A 32 -5.172 1.481 -1.724 1.00 44.11 C ATOM 462 NZ LYS A 32 -5.065 1.419 -0.240 1.00 72.41 N ATOM 0 H LYS A 32 -3.497 -2.271 -3.458 1.00 23.32 H new ATOM 0 HA LYS A 32 -2.072 -0.133 -4.746 1.00 2.14 H new ATOM 0 HB2 LYS A 32 -2.360 -1.266 -1.974 1.00 31.03 H new ATOM 0 HB3 LYS A 32 -0.982 -0.235 -2.304 1.00 31.03 H new ATOM 0 HG2 LYS A 32 -2.597 1.260 -1.503 1.00 43.51 H new ATOM 0 HG3 LYS A 32 -2.688 1.466 -3.241 1.00 43.51 H new ATOM 0 HD2 LYS A 32 -4.707 0.241 -3.415 1.00 24.15 H new ATOM 0 HD3 LYS A 32 -4.478 -0.546 -1.866 1.00 24.15 H new ATOM 0 HE2 LYS A 32 -4.839 2.459 -2.071 1.00 44.11 H new ATOM 0 HE3 LYS A 32 -6.217 1.377 -2.017 1.00 44.11 H new ATOM 0 HZ1 LYS A 32 -5.669 2.153 0.183 1.00 72.41 H new ATOM 0 HZ2 LYS A 32 -5.374 0.483 0.092 1.00 72.41 H new ATOM 0 HZ3 LYS A 32 -4.077 1.578 0.044 1.00 72.41 H new ATOM 476 N VAL A 33 -0.379 -1.969 -5.612 1.00 64.25 N ATOM 477 CA VAL A 33 0.865 -2.617 -6.012 1.00 2.20 C ATOM 478 C VAL A 33 1.600 -1.793 -7.063 1.00 65.33 C ATOM 479 O VAL A 33 1.035 -1.442 -8.099 1.00 32.21 O ATOM 480 CB VAL A 33 0.608 -4.029 -6.569 1.00 65.55 C ATOM 481 CG1 VAL A 33 -0.371 -3.975 -7.732 1.00 34.24 C ATOM 482 CG2 VAL A 33 1.916 -4.680 -6.994 1.00 44.02 C ATOM 0 H VAL A 33 -1.025 -1.786 -6.380 1.00 64.25 H new ATOM 0 HA VAL A 33 1.484 -2.695 -5.118 1.00 2.20 H new ATOM 0 HB VAL A 33 0.165 -4.636 -5.780 1.00 65.55 H new ATOM 0 HG11 VAL A 33 -0.540 -4.982 -8.112 1.00 34.24 H new ATOM 0 HG12 VAL A 33 -1.316 -3.552 -7.392 1.00 34.24 H new ATOM 0 HG13 VAL A 33 0.041 -3.352 -8.526 1.00 34.24 H new ATOM 0 HG21 VAL A 33 1.716 -5.677 -7.385 1.00 44.02 H new ATOM 0 HG22 VAL A 33 2.389 -4.075 -7.768 1.00 44.02 H new ATOM 0 HG23 VAL A 33 2.582 -4.755 -6.134 1.00 44.02 H new ATOM 492 N ASP A 34 2.864 -1.489 -6.790 1.00 44.35 N ATOM 493 CA ASP A 34 3.679 -0.707 -7.714 1.00 20.33 C ATOM 494 C ASP A 34 4.725 -1.586 -8.393 1.00 73.11 C ATOM 495 O ASP A 34 5.716 -1.977 -7.776 1.00 44.35 O ATOM 496 CB ASP A 34 4.364 0.443 -6.975 1.00 10.33 C ATOM 497 CG ASP A 34 4.208 1.768 -7.695 1.00 3.20 C ATOM 498 OD1 ASP A 34 4.922 1.987 -8.697 1.00 32.14 O ATOM 499 OD2 ASP A 34 3.372 2.586 -7.258 1.00 3.13 O ATOM 0 H ASP A 34 3.347 -1.772 -5.937 1.00 44.35 H new ATOM 0 HA ASP A 34 3.022 -0.296 -8.481 1.00 20.33 H new ATOM 0 HB2 ASP A 34 3.946 0.527 -5.972 1.00 10.33 H new ATOM 0 HB3 ASP A 34 5.424 0.217 -6.861 1.00 10.33 H new ATOM 504 N ILE A 35 4.495 -1.894 -9.665 1.00 45.32 N ATOM 505 CA ILE A 35 5.418 -2.726 -10.427 1.00 73.15 C ATOM 506 C ILE A 35 6.691 -1.961 -10.773 1.00 60.51 C ATOM 507 O ILE A 35 6.654 -0.761 -11.044 1.00 73.13 O ATOM 508 CB ILE A 35 4.771 -3.238 -11.728 1.00 14.20 C ATOM 509 CG1 ILE A 35 3.518 -4.057 -11.412 1.00 15.11 C ATOM 510 CG2 ILE A 35 5.766 -4.069 -12.524 1.00 3.43 C ATOM 511 CD1 ILE A 35 2.532 -4.119 -12.557 1.00 74.33 C ATOM 0 H ILE A 35 3.678 -1.580 -10.189 1.00 45.32 H new ATOM 0 HA ILE A 35 5.669 -3.578 -9.795 1.00 73.15 H new ATOM 0 HB ILE A 35 4.479 -2.380 -12.333 1.00 14.20 H new ATOM 0 HG12 ILE A 35 3.815 -5.071 -11.143 1.00 15.11 H new ATOM 0 HG13 ILE A 35 3.024 -3.628 -10.540 1.00 15.11 H new ATOM 0 HG21 ILE A 35 5.293 -4.423 -13.440 1.00 3.43 H new ATOM 0 HG22 ILE A 35 6.632 -3.457 -12.776 1.00 3.43 H new ATOM 0 HG23 ILE A 35 6.086 -4.923 -11.927 1.00 3.43 H new ATOM 0 HD11 ILE A 35 1.669 -4.716 -12.262 1.00 74.33 H new ATOM 0 HD12 ILE A 35 2.206 -3.110 -12.812 1.00 74.33 H new ATOM 0 HD13 ILE A 35 3.009 -4.576 -13.424 1.00 74.33 H new ATOM 523 N LYS A 36 7.818 -2.665 -10.763 1.00 61.03 N ATOM 524 CA LYS A 36 9.104 -2.055 -11.079 1.00 3.13 C ATOM 525 C LYS A 36 10.029 -3.058 -11.761 1.00 4.51 C ATOM 526 O LYS A 36 10.145 -4.203 -11.327 1.00 21.13 O ATOM 527 CB LYS A 36 9.764 -1.520 -9.806 1.00 22.34 C ATOM 528 CG LYS A 36 9.878 -0.006 -9.769 1.00 61.14 C ATOM 529 CD LYS A 36 10.316 0.488 -8.401 1.00 33.45 C ATOM 530 CE LYS A 36 11.813 0.754 -8.357 1.00 15.25 C ATOM 531 NZ LYS A 36 12.574 -0.434 -7.881 1.00 71.13 N ATOM 0 H LYS A 36 7.867 -3.659 -10.539 1.00 61.03 H new ATOM 0 HA LYS A 36 8.927 -1.227 -11.765 1.00 3.13 H new ATOM 0 HB2 LYS A 36 9.190 -1.854 -8.942 1.00 22.34 H new ATOM 0 HB3 LYS A 36 10.760 -1.953 -9.714 1.00 22.34 H new ATOM 0 HG2 LYS A 36 10.594 0.324 -10.522 1.00 61.14 H new ATOM 0 HG3 LYS A 36 8.917 0.438 -10.026 1.00 61.14 H new ATOM 0 HD2 LYS A 36 9.776 1.402 -8.153 1.00 33.45 H new ATOM 0 HD3 LYS A 36 10.055 -0.252 -7.645 1.00 33.45 H new ATOM 0 HE2 LYS A 36 12.161 1.034 -9.351 1.00 15.25 H new ATOM 0 HE3 LYS A 36 12.012 1.600 -7.699 1.00 15.25 H new ATOM 0 HZ1 LYS A 36 13.238 -0.145 -7.135 1.00 71.13 H new ATOM 0 HZ2 LYS A 36 11.912 -1.140 -7.500 1.00 71.13 H new ATOM 0 HZ3 LYS A 36 13.103 -0.848 -8.675 1.00 71.13 H new ATOM 545 N GLN A 37 10.686 -2.618 -12.829 1.00 42.35 N ATOM 546 CA GLN A 37 11.602 -3.478 -13.570 1.00 53.42 C ATOM 547 C GLN A 37 13.041 -2.996 -13.423 1.00 0.54 C ATOM 548 O GLN A 37 13.331 -1.812 -13.602 1.00 71.35 O ATOM 549 CB GLN A 37 11.214 -3.517 -15.049 1.00 54.03 C ATOM 550 CG GLN A 37 10.873 -2.152 -15.625 1.00 73.24 C ATOM 551 CD GLN A 37 10.833 -2.152 -17.141 1.00 5.41 C ATOM 552 OE1 GLN A 37 11.820 -1.821 -17.799 1.00 4.22 O ATOM 553 NE2 GLN A 37 9.690 -2.523 -17.704 1.00 32.41 N ATOM 0 H GLN A 37 10.601 -1.672 -13.201 1.00 42.35 H new ATOM 0 HA GLN A 37 11.531 -4.484 -13.156 1.00 53.42 H new ATOM 0 HB2 GLN A 37 12.036 -3.948 -15.620 1.00 54.03 H new ATOM 0 HB3 GLN A 37 10.357 -4.179 -15.174 1.00 54.03 H new ATOM 0 HG2 GLN A 37 9.905 -1.831 -15.240 1.00 73.24 H new ATOM 0 HG3 GLN A 37 11.609 -1.424 -15.285 1.00 73.24 H new ATOM 0 HE21 GLN A 37 8.897 -2.789 -17.120 1.00 32.41 H new ATOM 0 HE22 GLN A 37 9.605 -2.542 -18.720 1.00 32.41 H new ATOM 562 N ILE A 38 13.938 -3.919 -13.094 1.00 42.10 N ATOM 563 CA ILE A 38 15.347 -3.587 -12.923 1.00 63.41 C ATOM 564 C ILE A 38 16.242 -4.716 -13.424 1.00 22.12 C ATOM 565 O ILE A 38 15.758 -5.761 -13.859 1.00 71.02 O ATOM 566 CB ILE A 38 15.683 -3.297 -11.448 1.00 74.42 C ATOM 567 CG1 ILE A 38 15.829 -4.606 -10.669 1.00 62.00 C ATOM 568 CG2 ILE A 38 14.608 -2.420 -10.823 1.00 60.24 C ATOM 569 CD1 ILE A 38 14.591 -5.475 -10.708 1.00 45.35 C ATOM 0 H ILE A 38 13.714 -4.902 -12.941 1.00 42.10 H new ATOM 0 HA ILE A 38 15.533 -2.689 -13.512 1.00 63.41 H new ATOM 0 HB ILE A 38 16.632 -2.762 -11.405 1.00 74.42 H new ATOM 0 HG12 ILE A 38 16.670 -5.168 -11.074 1.00 62.00 H new ATOM 0 HG13 ILE A 38 16.069 -4.376 -9.631 1.00 62.00 H new ATOM 0 HG21 ILE A 38 14.859 -2.224 -9.781 1.00 60.24 H new ATOM 0 HG22 ILE A 38 14.547 -1.477 -11.366 1.00 60.24 H new ATOM 0 HG23 ILE A 38 13.646 -2.931 -10.874 1.00 60.24 H new ATOM 0 HD11 ILE A 38 14.767 -6.385 -10.135 1.00 45.35 H new ATOM 0 HD12 ILE A 38 13.751 -4.931 -10.276 1.00 45.35 H new ATOM 0 HD13 ILE A 38 14.362 -5.735 -11.741 1.00 45.35 H new ATOM 581 N LYS A 39 17.551 -4.499 -13.357 1.00 64.44 N ATOM 582 CA LYS A 39 18.516 -5.499 -13.801 1.00 2.34 C ATOM 583 C LYS A 39 18.703 -6.582 -12.743 1.00 14.21 C ATOM 584 O LYS A 39 18.491 -6.344 -11.553 1.00 53.45 O ATOM 585 CB LYS A 39 19.861 -4.837 -14.111 1.00 31.04 C ATOM 586 CG LYS A 39 20.066 -4.539 -15.586 1.00 25.23 C ATOM 587 CD LYS A 39 20.550 -5.766 -16.340 1.00 64.22 C ATOM 588 CE LYS A 39 20.433 -5.577 -17.845 1.00 23.41 C ATOM 589 NZ LYS A 39 21.514 -4.704 -18.380 1.00 42.10 N ATOM 0 H LYS A 39 17.968 -3.640 -13.000 1.00 64.44 H new ATOM 0 HA LYS A 39 18.129 -5.964 -14.708 1.00 2.34 H new ATOM 0 HB2 LYS A 39 19.938 -3.907 -13.547 1.00 31.04 H new ATOM 0 HB3 LYS A 39 20.665 -5.487 -13.765 1.00 31.04 H new ATOM 0 HG2 LYS A 39 19.130 -4.189 -16.021 1.00 25.23 H new ATOM 0 HG3 LYS A 39 20.791 -3.732 -15.698 1.00 25.23 H new ATOM 0 HD2 LYS A 39 21.588 -5.970 -16.077 1.00 64.22 H new ATOM 0 HD3 LYS A 39 19.967 -6.635 -16.035 1.00 64.22 H new ATOM 0 HE2 LYS A 39 20.474 -6.549 -18.337 1.00 23.41 H new ATOM 0 HE3 LYS A 39 19.463 -5.140 -18.082 1.00 23.41 H new ATOM 0 HZ1 LYS A 39 21.399 -4.600 -19.408 1.00 42.10 H new ATOM 0 HZ2 LYS A 39 21.460 -3.768 -17.929 1.00 42.10 H new ATOM 0 HZ3 LYS A 39 22.439 -5.133 -18.177 1.00 42.10 H new ATOM 603 N ILE A 40 19.101 -7.770 -13.183 1.00 70.44 N ATOM 604 CA ILE A 40 19.318 -8.888 -12.274 1.00 21.34 C ATOM 605 C ILE A 40 20.215 -8.483 -11.109 1.00 14.34 C ATOM 606 O ILE A 40 20.100 -9.019 -10.006 1.00 12.42 O ATOM 607 CB ILE A 40 19.951 -10.090 -13.000 1.00 30.15 C ATOM 608 CG1 ILE A 40 20.110 -11.269 -12.037 1.00 50.02 C ATOM 609 CG2 ILE A 40 21.295 -9.701 -13.596 1.00 5.14 C ATOM 610 CD1 ILE A 40 18.794 -11.817 -11.531 1.00 23.15 C ATOM 0 H ILE A 40 19.280 -7.983 -14.164 1.00 70.44 H new ATOM 0 HA ILE A 40 18.339 -9.179 -11.893 1.00 21.34 H new ATOM 0 HB ILE A 40 19.290 -10.395 -13.812 1.00 30.15 H new ATOM 0 HG12 ILE A 40 20.658 -12.067 -12.539 1.00 50.02 H new ATOM 0 HG13 ILE A 40 20.714 -10.954 -11.186 1.00 50.02 H new ATOM 0 HG21 ILE A 40 21.730 -10.561 -14.106 1.00 5.14 H new ATOM 0 HG22 ILE A 40 21.155 -8.889 -14.309 1.00 5.14 H new ATOM 0 HG23 ILE A 40 21.965 -9.374 -12.801 1.00 5.14 H new ATOM 0 HD11 ILE A 40 18.983 -12.650 -10.854 1.00 23.15 H new ATOM 0 HD12 ILE A 40 18.254 -11.033 -11.000 1.00 23.15 H new ATOM 0 HD13 ILE A 40 18.196 -12.163 -12.374 1.00 23.15 H new ATOM 622 N THR A 41 21.108 -7.531 -11.360 1.00 12.53 N ATOM 623 CA THR A 41 22.024 -7.052 -10.332 1.00 51.33 C ATOM 624 C THR A 41 21.389 -5.940 -9.505 1.00 3.03 C ATOM 625 O THR A 41 21.676 -5.798 -8.317 1.00 5.24 O ATOM 626 CB THR A 41 23.337 -6.532 -10.948 1.00 73.32 C ATOM 627 OG1 THR A 41 23.080 -5.364 -11.735 1.00 40.13 O ATOM 628 CG2 THR A 41 23.988 -7.600 -11.814 1.00 21.21 C ATOM 0 H THR A 41 21.216 -7.076 -12.267 1.00 12.53 H new ATOM 0 HA THR A 41 22.246 -7.901 -9.685 1.00 51.33 H new ATOM 0 HB THR A 41 24.019 -6.279 -10.136 1.00 73.32 H new ATOM 0 HG1 THR A 41 23.920 -5.039 -12.122 1.00 40.13 H new ATOM 0 HG21 THR A 41 24.913 -7.210 -12.238 1.00 21.21 H new ATOM 0 HG22 THR A 41 24.209 -8.477 -11.206 1.00 21.21 H new ATOM 0 HG23 THR A 41 23.309 -7.879 -12.620 1.00 21.21 H new ATOM 636 N GLU A 42 20.525 -5.155 -10.140 1.00 40.12 N ATOM 637 CA GLU A 42 19.850 -4.055 -9.461 1.00 22.34 C ATOM 638 C GLU A 42 19.047 -4.564 -8.267 1.00 22.40 C ATOM 639 O GLU A 42 18.799 -3.828 -7.312 1.00 73.11 O ATOM 640 CB GLU A 42 18.928 -3.316 -10.432 1.00 14.43 C ATOM 641 CG GLU A 42 19.502 -2.003 -10.937 1.00 3.23 C ATOM 642 CD GLU A 42 20.971 -2.109 -11.297 1.00 24.21 C ATOM 643 OE1 GLU A 42 21.274 -2.396 -12.474 1.00 54.03 O ATOM 644 OE2 GLU A 42 21.818 -1.906 -10.402 1.00 64.22 O ATOM 0 H GLU A 42 20.276 -5.260 -11.123 1.00 40.12 H new ATOM 0 HA GLU A 42 20.611 -3.364 -9.098 1.00 22.34 H new ATOM 0 HB2 GLU A 42 18.718 -3.963 -11.284 1.00 14.43 H new ATOM 0 HB3 GLU A 42 17.976 -3.121 -9.938 1.00 14.43 H new ATOM 0 HG2 GLU A 42 18.940 -1.678 -11.812 1.00 3.23 H new ATOM 0 HG3 GLU A 42 19.373 -1.237 -10.173 1.00 3.23 H new ATOM 651 N VAL A 43 18.644 -5.829 -8.329 1.00 34.41 N ATOM 652 CA VAL A 43 17.869 -6.438 -7.254 1.00 62.30 C ATOM 653 C VAL A 43 18.681 -6.514 -5.966 1.00 45.41 C ATOM 654 O VAL A 43 18.126 -6.507 -4.868 1.00 62.23 O ATOM 655 CB VAL A 43 17.398 -7.854 -7.634 1.00 60.54 C ATOM 656 CG1 VAL A 43 18.565 -8.830 -7.610 1.00 34.25 C ATOM 657 CG2 VAL A 43 16.288 -8.314 -6.702 1.00 34.40 C ATOM 0 H VAL A 43 18.841 -6.452 -9.112 1.00 34.41 H new ATOM 0 HA VAL A 43 16.997 -5.803 -7.094 1.00 62.30 H new ATOM 0 HB VAL A 43 17.001 -7.826 -8.649 1.00 60.54 H new ATOM 0 HG11 VAL A 43 18.213 -9.825 -7.881 1.00 34.25 H new ATOM 0 HG12 VAL A 43 19.324 -8.507 -8.323 1.00 34.25 H new ATOM 0 HG13 VAL A 43 18.996 -8.858 -6.609 1.00 34.25 H new ATOM 0 HG21 VAL A 43 15.967 -9.317 -6.985 1.00 34.40 H new ATOM 0 HG22 VAL A 43 16.656 -8.327 -5.676 1.00 34.40 H new ATOM 0 HG23 VAL A 43 15.444 -7.629 -6.776 1.00 34.40 H new ATOM 667 N GLY A 44 20.002 -6.584 -6.109 1.00 34.54 N ATOM 668 CA GLY A 44 20.870 -6.660 -4.948 1.00 50.42 C ATOM 669 C GLY A 44 20.518 -5.629 -3.893 1.00 65.44 C ATOM 670 O GLY A 44 20.051 -5.960 -2.803 1.00 61.14 O ATOM 0 H GLY A 44 20.486 -6.589 -7.007 1.00 34.54 H new ATOM 0 HA2 GLY A 44 20.804 -7.657 -4.513 1.00 50.42 H new ATOM 0 HA3 GLY A 44 21.904 -6.517 -5.261 1.00 50.42 H new ATOM 674 N PRO A 45 20.746 -4.347 -4.214 1.00 24.00 N ATOM 675 CA PRO A 45 20.459 -3.239 -3.298 1.00 72.03 C ATOM 676 C PRO A 45 18.962 -3.025 -3.099 1.00 22.31 C ATOM 677 O PRO A 45 18.535 -2.451 -2.097 1.00 4.01 O ATOM 678 CB PRO A 45 21.083 -2.029 -3.998 1.00 61.32 C ATOM 679 CG PRO A 45 21.094 -2.392 -5.443 1.00 41.42 C ATOM 680 CD PRO A 45 21.302 -3.880 -5.495 1.00 72.03 C ATOM 0 HA PRO A 45 20.856 -3.423 -2.299 1.00 72.03 H new ATOM 0 HB2 PRO A 45 20.500 -1.125 -3.821 1.00 61.32 H new ATOM 0 HB3 PRO A 45 22.091 -1.835 -3.631 1.00 61.32 H new ATOM 0 HG2 PRO A 45 20.156 -2.112 -5.923 1.00 41.42 H new ATOM 0 HG3 PRO A 45 21.891 -1.868 -5.971 1.00 41.42 H new ATOM 0 HD2 PRO A 45 20.786 -4.328 -6.344 1.00 72.03 H new ATOM 0 HD3 PRO A 45 22.357 -4.135 -5.592 1.00 72.03 H new ATOM 688 N TYR A 46 18.170 -3.491 -4.058 1.00 70.00 N ATOM 689 CA TYR A 46 16.721 -3.349 -3.988 1.00 55.13 C ATOM 690 C TYR A 46 16.083 -4.575 -3.341 1.00 44.15 C ATOM 691 O TYR A 46 14.986 -4.987 -3.716 1.00 23.42 O ATOM 692 CB TYR A 46 16.140 -3.137 -5.388 1.00 10.05 C ATOM 693 CG TYR A 46 16.394 -1.755 -5.945 1.00 54.33 C ATOM 694 CD1 TYR A 46 16.160 -0.621 -5.177 1.00 3.31 C ATOM 695 CD2 TYR A 46 16.865 -1.582 -7.241 1.00 22.43 C ATOM 696 CE1 TYR A 46 16.390 0.644 -5.682 1.00 52.34 C ATOM 697 CE2 TYR A 46 17.099 -0.321 -7.754 1.00 30.40 C ATOM 698 CZ TYR A 46 16.860 0.789 -6.971 1.00 74.21 C ATOM 699 OH TYR A 46 17.090 2.047 -7.479 1.00 72.33 O ATOM 0 H TYR A 46 18.507 -3.970 -4.893 1.00 70.00 H new ATOM 0 HA TYR A 46 16.497 -2.478 -3.372 1.00 55.13 H new ATOM 0 HB2 TYR A 46 16.567 -3.877 -6.065 1.00 10.05 H new ATOM 0 HB3 TYR A 46 15.065 -3.315 -5.357 1.00 10.05 H new ATOM 0 HD1 TYR A 46 15.792 -0.730 -4.168 1.00 3.31 H new ATOM 0 HD2 TYR A 46 17.051 -2.449 -7.858 1.00 22.43 H new ATOM 0 HE1 TYR A 46 16.203 1.515 -5.071 1.00 52.34 H new ATOM 0 HE2 TYR A 46 17.467 -0.205 -8.763 1.00 30.40 H new ATOM 0 HH TYR A 46 17.420 1.973 -8.399 1.00 72.33 H new ATOM 709 N GLU A 47 16.781 -5.152 -2.368 1.00 14.24 N ATOM 710 CA GLU A 47 16.284 -6.331 -1.668 1.00 55.32 C ATOM 711 C GLU A 47 15.512 -5.934 -0.413 1.00 54.31 C ATOM 712 O GLU A 47 14.455 -6.493 -0.118 1.00 41.33 O ATOM 713 CB GLU A 47 17.443 -7.257 -1.295 1.00 42.34 C ATOM 714 CG GLU A 47 17.741 -8.313 -2.346 1.00 74.12 C ATOM 715 CD GLU A 47 18.338 -9.574 -1.753 1.00 22.11 C ATOM 716 OE1 GLU A 47 19.224 -10.172 -2.399 1.00 31.34 O ATOM 717 OE2 GLU A 47 17.920 -9.962 -0.642 1.00 73.41 O ATOM 0 H GLU A 47 17.691 -4.823 -2.047 1.00 14.24 H new ATOM 0 HA GLU A 47 15.607 -6.860 -2.338 1.00 55.32 H new ATOM 0 HB2 GLU A 47 18.338 -6.657 -1.131 1.00 42.34 H new ATOM 0 HB3 GLU A 47 17.213 -7.751 -0.351 1.00 42.34 H new ATOM 0 HG2 GLU A 47 16.821 -8.564 -2.874 1.00 74.12 H new ATOM 0 HG3 GLU A 47 18.430 -7.902 -3.084 1.00 74.12 H new ATOM 724 N ASP A 48 16.047 -4.966 0.322 1.00 4.41 N ATOM 725 CA ASP A 48 15.410 -4.492 1.545 1.00 32.53 C ATOM 726 C ASP A 48 14.159 -3.679 1.227 1.00 45.33 C ATOM 727 O ASP A 48 13.056 -4.021 1.655 1.00 45.33 O ATOM 728 CB ASP A 48 16.389 -3.648 2.362 1.00 12.32 C ATOM 729 CG ASP A 48 15.733 -3.007 3.570 1.00 71.14 C ATOM 730 OD1 ASP A 48 14.949 -3.697 4.254 1.00 12.20 O ATOM 731 OD2 ASP A 48 16.003 -1.816 3.830 1.00 42.32 O ATOM 0 H ASP A 48 16.921 -4.494 0.092 1.00 4.41 H new ATOM 0 HA ASP A 48 15.116 -5.362 2.132 1.00 32.53 H new ATOM 0 HB2 ASP A 48 17.217 -4.275 2.692 1.00 12.32 H new ATOM 0 HB3 ASP A 48 16.812 -2.870 1.726 1.00 12.32 H new ATOM 736 N THR A 49 14.339 -2.598 0.473 1.00 73.42 N ATOM 737 CA THR A 49 13.226 -1.734 0.099 1.00 63.44 C ATOM 738 C THR A 49 12.105 -2.534 -0.555 1.00 12.23 C ATOM 739 O THR A 49 10.948 -2.448 -0.144 1.00 20.54 O ATOM 740 CB THR A 49 13.679 -0.623 -0.867 1.00 14.41 C ATOM 741 OG1 THR A 49 14.243 -1.200 -2.049 1.00 63.32 O ATOM 742 CG2 THR A 49 14.701 0.288 -0.203 1.00 72.31 C ATOM 0 H THR A 49 15.245 -2.301 0.110 1.00 73.42 H new ATOM 0 HA THR A 49 12.856 -1.279 1.018 1.00 63.44 H new ATOM 0 HB THR A 49 12.806 -0.028 -1.136 1.00 14.41 H new ATOM 0 HG1 THR A 49 14.379 -0.500 -2.722 1.00 63.32 H new ATOM 0 HG21 THR A 49 15.006 1.065 -0.904 1.00 72.31 H new ATOM 0 HG22 THR A 49 14.258 0.750 0.679 1.00 72.31 H new ATOM 0 HG23 THR A 49 15.572 -0.297 0.092 1.00 72.31 H new ATOM 750 N ALA A 50 12.455 -3.311 -1.574 1.00 72.22 N ATOM 751 CA ALA A 50 11.477 -4.128 -2.283 1.00 25.34 C ATOM 752 C ALA A 50 10.913 -5.218 -1.377 1.00 2.30 C ATOM 753 O ALA A 50 11.637 -5.809 -0.576 1.00 23.01 O ATOM 754 CB ALA A 50 12.105 -4.744 -3.524 1.00 61.13 C ATOM 0 H ALA A 50 13.408 -3.392 -1.928 1.00 72.22 H new ATOM 0 HA ALA A 50 10.653 -3.483 -2.588 1.00 25.34 H new ATOM 0 HB1 ALA A 50 11.364 -5.351 -4.044 1.00 61.13 H new ATOM 0 HB2 ALA A 50 12.454 -3.952 -4.186 1.00 61.13 H new ATOM 0 HB3 ALA A 50 12.948 -5.371 -3.232 1.00 61.13 H new ATOM 760 N ASP A 51 9.617 -5.478 -1.509 1.00 1.51 N ATOM 761 CA ASP A 51 8.956 -6.497 -0.702 1.00 54.43 C ATOM 762 C ASP A 51 8.849 -7.811 -1.469 1.00 33.34 C ATOM 763 O ASP A 51 9.190 -8.875 -0.949 1.00 15.32 O ATOM 764 CB ASP A 51 7.563 -6.021 -0.283 1.00 65.53 C ATOM 765 CG ASP A 51 7.131 -6.600 1.049 1.00 31.54 C ATOM 766 OD1 ASP A 51 6.290 -5.971 1.725 1.00 31.23 O ATOM 767 OD2 ASP A 51 7.633 -7.683 1.416 1.00 33.42 O ATOM 0 H ASP A 51 9.003 -4.997 -2.167 1.00 1.51 H new ATOM 0 HA ASP A 51 9.557 -6.666 0.191 1.00 54.43 H new ATOM 0 HB2 ASP A 51 7.557 -4.933 -0.222 1.00 65.53 H new ATOM 0 HB3 ASP A 51 6.840 -6.301 -1.049 1.00 65.53 H new ATOM 772 N LEU A 52 8.373 -7.732 -2.706 1.00 55.31 N ATOM 773 CA LEU A 52 8.219 -8.916 -3.545 1.00 4.43 C ATOM 774 C LEU A 52 9.190 -8.879 -4.721 1.00 32.01 C ATOM 775 O LEU A 52 9.410 -7.829 -5.325 1.00 43.43 O ATOM 776 CB LEU A 52 6.782 -9.019 -4.058 1.00 10.14 C ATOM 777 CG LEU A 52 6.202 -10.431 -4.149 1.00 51.33 C ATOM 778 CD1 LEU A 52 6.979 -11.263 -5.158 1.00 11.43 C ATOM 779 CD2 LEU A 52 6.210 -11.101 -2.783 1.00 4.41 C ATOM 0 H LEU A 52 8.087 -6.860 -3.151 1.00 55.31 H new ATOM 0 HA LEU A 52 8.445 -9.793 -2.938 1.00 4.43 H new ATOM 0 HB2 LEU A 52 6.141 -8.426 -3.406 1.00 10.14 H new ATOM 0 HB3 LEU A 52 6.737 -8.565 -5.048 1.00 10.14 H new ATOM 0 HG LEU A 52 5.169 -10.357 -4.488 1.00 51.33 H new ATOM 0 HD11 LEU A 52 6.552 -12.265 -5.209 1.00 11.43 H new ATOM 0 HD12 LEU A 52 6.920 -10.793 -6.140 1.00 11.43 H new ATOM 0 HD13 LEU A 52 8.022 -11.329 -4.849 1.00 11.43 H new ATOM 0 HD21 LEU A 52 5.794 -12.105 -2.868 1.00 4.41 H new ATOM 0 HD22 LEU A 52 7.234 -11.163 -2.414 1.00 4.41 H new ATOM 0 HD23 LEU A 52 5.608 -10.516 -2.087 1.00 4.41 H new ATOM 791 N LEU A 53 9.766 -10.032 -5.042 1.00 75.31 N ATOM 792 CA LEU A 53 10.711 -10.133 -6.148 1.00 62.43 C ATOM 793 C LEU A 53 10.338 -11.281 -7.081 1.00 34.32 C ATOM 794 O LEU A 53 10.059 -12.394 -6.633 1.00 1.43 O ATOM 795 CB LEU A 53 12.130 -10.336 -5.615 1.00 5.21 C ATOM 796 CG LEU A 53 13.176 -10.779 -6.639 1.00 74.22 C ATOM 797 CD1 LEU A 53 13.338 -9.728 -7.726 1.00 0.43 C ATOM 798 CD2 LEU A 53 14.508 -11.054 -5.957 1.00 72.21 C ATOM 0 H LEU A 53 9.595 -10.910 -4.552 1.00 75.31 H new ATOM 0 HA LEU A 53 10.671 -9.202 -6.713 1.00 62.43 H new ATOM 0 HB2 LEU A 53 12.465 -9.401 -5.165 1.00 5.21 H new ATOM 0 HB3 LEU A 53 12.094 -11.079 -4.818 1.00 5.21 H new ATOM 0 HG LEU A 53 12.832 -11.703 -7.104 1.00 74.22 H new ATOM 0 HD11 LEU A 53 14.086 -10.061 -8.445 1.00 0.43 H new ATOM 0 HD12 LEU A 53 12.385 -9.581 -8.235 1.00 0.43 H new ATOM 0 HD13 LEU A 53 13.659 -8.788 -7.278 1.00 0.43 H new ATOM 0 HD21 LEU A 53 15.240 -11.368 -6.701 1.00 72.21 H new ATOM 0 HD22 LEU A 53 14.858 -10.147 -5.464 1.00 72.21 H new ATOM 0 HD23 LEU A 53 14.381 -11.844 -5.217 1.00 72.21 H new ATOM 810 N VAL A 54 10.336 -11.004 -8.381 1.00 32.21 N ATOM 811 CA VAL A 54 10.000 -12.014 -9.377 1.00 61.23 C ATOM 812 C VAL A 54 11.065 -12.088 -10.465 1.00 64.23 C ATOM 813 O VAL A 54 11.338 -11.103 -11.152 1.00 4.45 O ATOM 814 CB VAL A 54 8.635 -11.727 -10.030 1.00 12.22 C ATOM 815 CG1 VAL A 54 8.241 -12.860 -10.965 1.00 51.43 C ATOM 816 CG2 VAL A 54 7.571 -11.510 -8.964 1.00 52.14 C ATOM 0 H VAL A 54 10.563 -10.088 -8.769 1.00 32.21 H new ATOM 0 HA VAL A 54 9.951 -12.969 -8.854 1.00 61.23 H new ATOM 0 HB VAL A 54 8.718 -10.814 -10.620 1.00 12.22 H new ATOM 0 HG11 VAL A 54 7.274 -12.639 -11.417 1.00 51.43 H new ATOM 0 HG12 VAL A 54 8.992 -12.964 -11.748 1.00 51.43 H new ATOM 0 HG13 VAL A 54 8.174 -13.790 -10.401 1.00 51.43 H new ATOM 0 HG21 VAL A 54 6.613 -11.308 -9.442 1.00 52.14 H new ATOM 0 HG22 VAL A 54 7.487 -12.404 -8.346 1.00 52.14 H new ATOM 0 HG23 VAL A 54 7.850 -10.662 -8.339 1.00 52.14 H new ATOM 826 N THR A 55 11.666 -13.264 -10.619 1.00 71.41 N ATOM 827 CA THR A 55 12.702 -13.468 -11.623 1.00 43.13 C ATOM 828 C THR A 55 12.724 -14.914 -12.105 1.00 44.14 C ATOM 829 O THR A 55 12.377 -15.833 -11.363 1.00 2.14 O ATOM 830 CB THR A 55 14.094 -13.100 -11.076 1.00 44.35 C ATOM 831 OG1 THR A 55 15.109 -13.521 -11.995 1.00 52.12 O ATOM 832 CG2 THR A 55 14.331 -13.746 -9.720 1.00 65.51 C ATOM 0 H THR A 55 11.452 -14.090 -10.060 1.00 71.41 H new ATOM 0 HA THR A 55 12.464 -12.813 -12.461 1.00 43.13 H new ATOM 0 HB THR A 55 14.138 -12.017 -10.957 1.00 44.35 H new ATOM 0 HG1 THR A 55 14.916 -13.158 -12.885 1.00 52.12 H new ATOM 0 HG21 THR A 55 15.320 -13.472 -9.354 1.00 65.51 H new ATOM 0 HG22 THR A 55 13.575 -13.400 -9.015 1.00 65.51 H new ATOM 0 HG23 THR A 55 14.268 -14.830 -9.817 1.00 65.51 H new ATOM 840 N THR A 56 13.136 -15.110 -13.354 1.00 74.43 N ATOM 841 CA THR A 56 13.203 -16.445 -13.936 1.00 34.11 C ATOM 842 C THR A 56 14.486 -17.159 -13.528 1.00 3.21 C ATOM 843 O THR A 56 14.483 -18.361 -13.267 1.00 71.40 O ATOM 844 CB THR A 56 13.124 -16.393 -15.473 1.00 42.53 C ATOM 845 OG1 THR A 56 14.311 -15.792 -16.004 1.00 61.41 O ATOM 846 CG2 THR A 56 11.905 -15.604 -15.926 1.00 51.14 C ATOM 0 H THR A 56 13.428 -14.361 -13.982 1.00 74.43 H new ATOM 0 HA THR A 56 12.345 -16.999 -13.555 1.00 34.11 H new ATOM 0 HB THR A 56 13.035 -17.414 -15.845 1.00 42.53 H new ATOM 0 HG1 THR A 56 14.254 -15.764 -16.982 1.00 61.41 H new ATOM 0 HG21 THR A 56 11.871 -15.581 -17.015 1.00 51.14 H new ATOM 0 HG22 THR A 56 11.001 -16.079 -15.544 1.00 51.14 H new ATOM 0 HG23 THR A 56 11.968 -14.585 -15.544 1.00 51.14 H new ATOM 854 N ALA A 57 15.583 -16.410 -13.474 1.00 52.31 N ATOM 855 CA ALA A 57 16.873 -16.971 -13.095 1.00 4.02 C ATOM 856 C ALA A 57 16.882 -17.387 -11.628 1.00 14.43 C ATOM 857 O ALA A 57 15.862 -17.302 -10.943 1.00 62.14 O ATOM 858 CB ALA A 57 17.985 -15.969 -13.368 1.00 4.13 C ATOM 0 H ALA A 57 15.603 -15.413 -13.688 1.00 52.31 H new ATOM 0 HA ALA A 57 17.045 -17.862 -13.699 1.00 4.02 H new ATOM 0 HB1 ALA A 57 18.943 -16.401 -13.080 1.00 4.13 H new ATOM 0 HB2 ALA A 57 18.002 -15.724 -14.430 1.00 4.13 H new ATOM 0 HB3 ALA A 57 17.808 -15.062 -12.790 1.00 4.13 H new ATOM 864 N MET A 58 18.038 -17.836 -11.151 1.00 71.33 N ATOM 865 CA MET A 58 18.178 -18.265 -9.764 1.00 53.23 C ATOM 866 C MET A 58 19.182 -17.388 -9.023 1.00 63.22 C ATOM 867 O MET A 58 19.692 -16.410 -9.571 1.00 64.42 O ATOM 868 CB MET A 58 18.617 -19.729 -9.702 1.00 44.23 C ATOM 869 CG MET A 58 17.599 -20.694 -10.286 1.00 33.53 C ATOM 870 SD MET A 58 17.859 -22.393 -9.739 1.00 12.34 S ATOM 871 CE MET A 58 18.970 -22.992 -11.009 1.00 52.45 C ATOM 0 H MET A 58 18.892 -17.912 -11.704 1.00 71.33 H new ATOM 0 HA MET A 58 17.207 -18.164 -9.279 1.00 53.23 H new ATOM 0 HB2 MET A 58 19.560 -19.840 -10.238 1.00 44.23 H new ATOM 0 HB3 MET A 58 18.807 -19.999 -8.663 1.00 44.23 H new ATOM 0 HG2 MET A 58 16.596 -20.374 -10.002 1.00 33.53 H new ATOM 0 HG3 MET A 58 17.650 -20.655 -11.374 1.00 33.53 H new ATOM 0 HE1 MET A 58 19.224 -24.033 -10.809 1.00 52.45 H new ATOM 0 HE2 MET A 58 18.484 -22.917 -11.982 1.00 52.45 H new ATOM 0 HE3 MET A 58 19.879 -22.391 -11.010 1.00 52.45 H new ATOM 881 N THR A 59 19.463 -17.744 -7.773 1.00 53.12 N ATOM 882 CA THR A 59 20.405 -16.989 -6.957 1.00 32.12 C ATOM 883 C THR A 59 20.998 -17.860 -5.855 1.00 40.40 C ATOM 884 O THR A 59 20.466 -18.923 -5.535 1.00 41.12 O ATOM 885 CB THR A 59 19.734 -15.758 -6.318 1.00 20.41 C ATOM 886 OG1 THR A 59 18.722 -15.243 -7.191 1.00 25.32 O ATOM 887 CG2 THR A 59 20.760 -14.674 -6.026 1.00 53.51 C ATOM 0 H THR A 59 19.051 -18.551 -7.304 1.00 53.12 H new ATOM 0 HA THR A 59 21.202 -16.655 -7.621 1.00 32.12 H new ATOM 0 HB THR A 59 19.278 -16.067 -5.377 1.00 20.41 H new ATOM 0 HG1 THR A 59 18.220 -14.539 -6.730 1.00 25.32 H new ATOM 0 HG21 THR A 59 20.263 -13.815 -5.575 1.00 53.51 H new ATOM 0 HG22 THR A 59 21.512 -15.061 -5.338 1.00 53.51 H new ATOM 0 HG23 THR A 59 21.241 -14.369 -6.955 1.00 53.51 H new ATOM 895 N LYS A 60 22.103 -17.402 -5.276 1.00 41.03 N ATOM 896 CA LYS A 60 22.769 -18.138 -4.208 1.00 12.41 C ATOM 897 C LYS A 60 22.693 -17.372 -2.891 1.00 12.11 C ATOM 898 O LYS A 60 22.559 -17.967 -1.821 1.00 73.14 O ATOM 899 CB LYS A 60 24.231 -18.398 -4.575 1.00 24.52 C ATOM 900 CG LYS A 60 24.864 -19.530 -3.784 1.00 64.30 C ATOM 901 CD LYS A 60 26.013 -20.169 -4.546 1.00 43.24 C ATOM 902 CE LYS A 60 27.249 -19.281 -4.539 1.00 75.31 C ATOM 903 NZ LYS A 60 27.824 -19.142 -3.173 1.00 34.45 N ATOM 0 H LYS A 60 22.556 -16.524 -5.529 1.00 41.03 H new ATOM 0 HA LYS A 60 22.257 -19.092 -4.084 1.00 12.41 H new ATOM 0 HB2 LYS A 60 24.295 -18.629 -5.638 1.00 24.52 H new ATOM 0 HB3 LYS A 60 24.806 -17.486 -4.412 1.00 24.52 H new ATOM 0 HG2 LYS A 60 25.227 -19.149 -2.829 1.00 64.30 H new ATOM 0 HG3 LYS A 60 24.110 -20.285 -3.561 1.00 64.30 H new ATOM 0 HD2 LYS A 60 26.254 -21.134 -4.100 1.00 43.24 H new ATOM 0 HD3 LYS A 60 25.707 -20.360 -5.575 1.00 43.24 H new ATOM 0 HE2 LYS A 60 28.001 -19.699 -5.209 1.00 75.31 H new ATOM 0 HE3 LYS A 60 26.990 -18.295 -4.926 1.00 75.31 H new ATOM 0 HZ1 LYS A 60 28.810 -18.817 -3.243 1.00 34.45 H new ATOM 0 HZ2 LYS A 60 27.269 -18.449 -2.631 1.00 34.45 H new ATOM 0 HZ3 LYS A 60 27.796 -20.062 -2.689 1.00 34.45 H new ATOM 917 N LYS A 61 22.778 -16.049 -2.975 1.00 41.33 N ATOM 918 CA LYS A 61 22.716 -15.200 -1.791 1.00 63.31 C ATOM 919 C LYS A 61 21.479 -15.519 -0.958 1.00 2.15 C ATOM 920 O LYS A 61 20.603 -16.265 -1.392 1.00 54.14 O ATOM 921 CB LYS A 61 22.705 -13.724 -2.196 1.00 24.53 C ATOM 922 CG LYS A 61 24.092 -13.142 -2.410 1.00 71.53 C ATOM 923 CD LYS A 61 24.726 -13.668 -3.687 1.00 73.04 C ATOM 924 CE LYS A 61 26.111 -13.080 -3.905 1.00 43.20 C ATOM 925 NZ LYS A 61 26.544 -13.190 -5.326 1.00 31.13 N ATOM 0 H LYS A 61 22.890 -15.541 -3.852 1.00 41.33 H new ATOM 0 HA LYS A 61 23.601 -15.397 -1.186 1.00 63.31 H new ATOM 0 HB2 LYS A 61 22.127 -13.612 -3.114 1.00 24.53 H new ATOM 0 HB3 LYS A 61 22.193 -13.148 -1.425 1.00 24.53 H new ATOM 0 HG2 LYS A 61 24.028 -12.055 -2.455 1.00 71.53 H new ATOM 0 HG3 LYS A 61 24.727 -13.389 -1.559 1.00 71.53 H new ATOM 0 HD2 LYS A 61 24.794 -14.755 -3.640 1.00 73.04 H new ATOM 0 HD3 LYS A 61 24.089 -13.426 -4.537 1.00 73.04 H new ATOM 0 HE2 LYS A 61 26.112 -12.032 -3.605 1.00 43.20 H new ATOM 0 HE3 LYS A 61 26.829 -13.595 -3.266 1.00 43.20 H new ATOM 0 HZ1 LYS A 61 27.493 -12.778 -5.433 1.00 31.13 H new ATOM 0 HZ2 LYS A 61 26.568 -14.192 -5.605 1.00 31.13 H new ATOM 0 HZ3 LYS A 61 25.874 -12.677 -5.934 1.00 31.13 H new ATOM 939 N GLU A 62 21.415 -14.947 0.241 1.00 23.30 N ATOM 940 CA GLU A 62 20.284 -15.171 1.134 1.00 64.11 C ATOM 941 C GLU A 62 19.237 -14.074 0.971 1.00 53.44 C ATOM 942 O GLU A 62 19.430 -12.944 1.420 1.00 1.22 O ATOM 943 CB GLU A 62 20.757 -15.227 2.588 1.00 64.30 C ATOM 944 CG GLU A 62 19.838 -16.026 3.497 1.00 41.13 C ATOM 945 CD GLU A 62 20.499 -16.405 4.808 1.00 62.44 C ATOM 946 OE1 GLU A 62 21.337 -17.331 4.804 1.00 33.51 O ATOM 947 OE2 GLU A 62 20.179 -15.775 5.837 1.00 34.21 O ATOM 0 H GLU A 62 22.132 -14.326 0.616 1.00 23.30 H new ATOM 0 HA GLU A 62 19.829 -16.126 0.870 1.00 64.11 H new ATOM 0 HB2 GLU A 62 21.755 -15.664 2.620 1.00 64.30 H new ATOM 0 HB3 GLU A 62 20.841 -14.211 2.973 1.00 64.30 H new ATOM 0 HG2 GLU A 62 18.940 -15.443 3.702 1.00 41.13 H new ATOM 0 HG3 GLU A 62 19.519 -16.931 2.980 1.00 41.13 H new ATOM 954 N TYR A 63 18.128 -14.414 0.324 1.00 73.42 N ATOM 955 CA TYR A 63 17.050 -13.458 0.098 1.00 63.42 C ATOM 956 C TYR A 63 16.248 -13.229 1.375 1.00 24.13 C ATOM 957 O TYR A 63 16.236 -14.070 2.274 1.00 35.23 O ATOM 958 CB TYR A 63 16.126 -13.954 -1.016 1.00 10.42 C ATOM 959 CG TYR A 63 16.648 -13.671 -2.406 1.00 52.25 C ATOM 960 CD1 TYR A 63 16.802 -14.695 -3.333 1.00 52.53 C ATOM 961 CD2 TYR A 63 16.988 -12.380 -2.793 1.00 73.44 C ATOM 962 CE1 TYR A 63 17.279 -14.441 -4.605 1.00 32.12 C ATOM 963 CE2 TYR A 63 17.464 -12.118 -4.063 1.00 40.51 C ATOM 964 CZ TYR A 63 17.608 -13.151 -4.965 1.00 60.11 C ATOM 965 OH TYR A 63 18.084 -12.894 -6.230 1.00 54.54 O ATOM 0 H TYR A 63 17.952 -15.345 -0.054 1.00 73.42 H new ATOM 0 HA TYR A 63 17.496 -12.510 -0.204 1.00 63.42 H new ATOM 0 HB2 TYR A 63 15.979 -15.028 -0.904 1.00 10.42 H new ATOM 0 HB3 TYR A 63 15.149 -13.485 -0.902 1.00 10.42 H new ATOM 0 HD1 TYR A 63 16.545 -15.706 -3.055 1.00 52.53 H new ATOM 0 HD2 TYR A 63 16.878 -11.568 -2.089 1.00 73.44 H new ATOM 0 HE1 TYR A 63 17.393 -15.248 -5.313 1.00 32.12 H new ATOM 0 HE2 TYR A 63 17.722 -11.109 -4.348 1.00 40.51 H new ATOM 0 HH TYR A 63 18.267 -11.936 -6.322 1.00 54.54 H new ATOM 975 N LYS A 64 15.579 -12.084 1.448 1.00 1.42 N ATOM 976 CA LYS A 64 14.772 -11.741 2.613 1.00 31.43 C ATOM 977 C LYS A 64 13.296 -11.636 2.241 1.00 5.00 C ATOM 978 O LYS A 64 12.569 -10.798 2.775 1.00 25.35 O ATOM 979 CB LYS A 64 15.251 -10.421 3.221 1.00 20.33 C ATOM 980 CG LYS A 64 16.501 -10.562 4.073 1.00 34.03 C ATOM 981 CD LYS A 64 16.213 -11.308 5.365 1.00 24.33 C ATOM 982 CE LYS A 64 17.023 -10.748 6.524 1.00 2.15 C ATOM 983 NZ LYS A 64 16.943 -11.619 7.730 1.00 53.14 N ATOM 0 H LYS A 64 15.580 -11.377 0.713 1.00 1.42 H new ATOM 0 HA LYS A 64 14.887 -12.536 3.350 1.00 31.43 H new ATOM 0 HB2 LYS A 64 15.447 -9.711 2.418 1.00 20.33 H new ATOM 0 HB3 LYS A 64 14.451 -10.000 3.831 1.00 20.33 H new ATOM 0 HG2 LYS A 64 17.269 -11.092 3.509 1.00 34.03 H new ATOM 0 HG3 LYS A 64 16.899 -9.574 4.303 1.00 34.03 H new ATOM 0 HD2 LYS A 64 15.150 -11.240 5.596 1.00 24.33 H new ATOM 0 HD3 LYS A 64 16.444 -12.365 5.235 1.00 24.33 H new ATOM 0 HE2 LYS A 64 18.065 -10.642 6.221 1.00 2.15 H new ATOM 0 HE3 LYS A 64 16.660 -9.750 6.772 1.00 2.15 H new ATOM 0 HZ1 LYS A 64 17.508 -11.202 8.497 1.00 53.14 H new ATOM 0 HZ2 LYS A 64 15.952 -11.700 8.035 1.00 53.14 H new ATOM 0 HZ3 LYS A 64 17.313 -12.564 7.501 1.00 53.14 H new ATOM 997 N PHE A 65 12.860 -12.492 1.323 1.00 50.43 N ATOM 998 CA PHE A 65 11.471 -12.495 0.880 1.00 53.34 C ATOM 999 C PHE A 65 11.168 -13.738 0.048 1.00 52.41 C ATOM 1000 O PHE A 65 12.061 -14.371 -0.515 1.00 74.42 O ATOM 1001 CB PHE A 65 11.171 -11.236 0.064 1.00 54.44 C ATOM 1002 CG PHE A 65 12.277 -10.854 -0.878 1.00 13.31 C ATOM 1003 CD1 PHE A 65 12.941 -9.646 -0.734 1.00 20.40 C ATOM 1004 CD2 PHE A 65 12.652 -11.702 -1.907 1.00 51.03 C ATOM 1005 CE1 PHE A 65 13.960 -9.292 -1.598 1.00 53.04 C ATOM 1006 CE2 PHE A 65 13.670 -11.353 -2.774 1.00 70.25 C ATOM 1007 CZ PHE A 65 14.324 -10.146 -2.621 1.00 32.23 C ATOM 0 H PHE A 65 13.448 -13.192 0.872 1.00 50.43 H new ATOM 0 HA PHE A 65 10.834 -12.507 1.764 1.00 53.34 H new ATOM 0 HB2 PHE A 65 10.256 -11.393 -0.507 1.00 54.44 H new ATOM 0 HB3 PHE A 65 10.983 -10.407 0.746 1.00 54.44 H new ATOM 0 HD1 PHE A 65 12.659 -8.974 0.063 1.00 20.40 H new ATOM 0 HD2 PHE A 65 12.143 -12.646 -2.033 1.00 51.03 H new ATOM 0 HE1 PHE A 65 14.471 -8.349 -1.474 1.00 53.04 H new ATOM 0 HE2 PHE A 65 13.954 -12.024 -3.571 1.00 70.25 H new ATOM 0 HZ PHE A 65 15.118 -9.871 -3.299 1.00 32.23 H new ATOM 1017 N PRO A 66 9.878 -14.096 -0.031 1.00 53.14 N ATOM 1018 CA PRO A 66 9.426 -15.265 -0.792 1.00 22.24 C ATOM 1019 C PRO A 66 9.565 -15.067 -2.297 1.00 42.11 C ATOM 1020 O PRO A 66 8.616 -14.666 -2.971 1.00 30.11 O ATOM 1021 CB PRO A 66 7.951 -15.393 -0.403 1.00 1.10 C ATOM 1022 CG PRO A 66 7.544 -14.016 -0.006 1.00 35.25 C ATOM 1023 CD PRO A 66 8.760 -13.387 0.614 1.00 4.24 C ATOM 0 HA PRO A 66 10.019 -16.152 -0.567 1.00 22.24 H new ATOM 0 HB2 PRO A 66 7.352 -15.758 -1.237 1.00 1.10 H new ATOM 0 HB3 PRO A 66 7.818 -16.098 0.418 1.00 1.10 H new ATOM 0 HG2 PRO A 66 7.207 -13.444 -0.871 1.00 35.25 H new ATOM 0 HG3 PRO A 66 6.715 -14.043 0.701 1.00 35.25 H new ATOM 0 HD2 PRO A 66 8.800 -12.315 0.422 1.00 4.24 H new ATOM 0 HD3 PRO A 66 8.772 -13.518 1.696 1.00 4.24 H new ATOM 1031 N VAL A 67 10.754 -15.351 -2.820 1.00 1.45 N ATOM 1032 CA VAL A 67 11.017 -15.205 -4.246 1.00 53.22 C ATOM 1033 C VAL A 67 10.110 -16.114 -5.068 1.00 15.03 C ATOM 1034 O VAL A 67 9.749 -17.207 -4.630 1.00 15.21 O ATOM 1035 CB VAL A 67 12.486 -15.525 -4.582 1.00 55.51 C ATOM 1036 CG1 VAL A 67 12.763 -15.275 -6.057 1.00 33.32 C ATOM 1037 CG2 VAL A 67 13.422 -14.703 -3.709 1.00 21.31 C ATOM 0 H VAL A 67 11.550 -15.684 -2.276 1.00 1.45 H new ATOM 0 HA VAL A 67 10.812 -14.165 -4.500 1.00 53.22 H new ATOM 0 HB VAL A 67 12.667 -16.580 -4.377 1.00 55.51 H new ATOM 0 HG11 VAL A 67 13.805 -15.506 -6.276 1.00 33.32 H new ATOM 0 HG12 VAL A 67 12.116 -15.910 -6.662 1.00 33.32 H new ATOM 0 HG13 VAL A 67 12.567 -14.229 -6.292 1.00 33.32 H new ATOM 0 HG21 VAL A 67 14.456 -14.941 -3.959 1.00 21.31 H new ATOM 0 HG22 VAL A 67 13.242 -13.642 -3.881 1.00 21.31 H new ATOM 0 HG23 VAL A 67 13.240 -14.936 -2.660 1.00 21.31 H new ATOM 1047 N ILE A 68 9.745 -15.656 -6.260 1.00 41.53 N ATOM 1048 CA ILE A 68 8.881 -16.428 -7.144 1.00 22.51 C ATOM 1049 C ILE A 68 9.459 -16.499 -8.554 1.00 34.25 C ATOM 1050 O ILE A 68 9.969 -15.510 -9.076 1.00 51.54 O ATOM 1051 CB ILE A 68 7.464 -15.829 -7.211 1.00 61.13 C ATOM 1052 CG1 ILE A 68 6.836 -15.790 -5.817 1.00 23.15 C ATOM 1053 CG2 ILE A 68 6.594 -16.632 -8.167 1.00 44.13 C ATOM 1054 CD1 ILE A 68 6.212 -14.456 -5.472 1.00 72.20 C ATOM 0 H ILE A 68 10.034 -14.753 -6.636 1.00 41.53 H new ATOM 0 HA ILE A 68 8.822 -17.434 -6.728 1.00 22.51 H new ATOM 0 HB ILE A 68 7.535 -14.808 -7.585 1.00 61.13 H new ATOM 0 HG12 ILE A 68 6.074 -16.567 -5.749 1.00 23.15 H new ATOM 0 HG13 ILE A 68 7.600 -16.027 -5.077 1.00 23.15 H new ATOM 0 HG21 ILE A 68 5.596 -16.196 -8.204 1.00 44.13 H new ATOM 0 HG22 ILE A 68 7.035 -16.613 -9.164 1.00 44.13 H new ATOM 0 HG23 ILE A 68 6.527 -17.663 -7.820 1.00 44.13 H new ATOM 0 HD11 ILE A 68 5.786 -14.502 -4.470 1.00 72.20 H new ATOM 0 HD12 ILE A 68 6.974 -13.678 -5.507 1.00 72.20 H new ATOM 0 HD13 ILE A 68 5.425 -14.226 -6.190 1.00 72.20 H new ATOM 1066 N ASN A 69 9.373 -17.677 -9.164 1.00 15.31 N ATOM 1067 CA ASN A 69 9.885 -17.877 -10.514 1.00 45.24 C ATOM 1068 C ASN A 69 8.930 -17.294 -11.551 1.00 72.12 C ATOM 1069 O ASN A 69 7.711 -17.384 -11.406 1.00 41.53 O ATOM 1070 CB ASN A 69 10.102 -19.367 -10.785 1.00 32.25 C ATOM 1071 CG ASN A 69 11.302 -19.921 -10.041 1.00 70.22 C ATOM 1072 OD1 ASN A 69 12.016 -19.187 -9.358 1.00 62.12 O ATOM 1073 ND2 ASN A 69 11.529 -21.223 -10.172 1.00 22.13 N ATOM 0 H ASN A 69 8.954 -18.507 -8.745 1.00 15.31 H new ATOM 0 HA ASN A 69 10.840 -17.357 -10.593 1.00 45.24 H new ATOM 0 HB2 ASN A 69 9.210 -19.920 -10.493 1.00 32.25 H new ATOM 0 HB3 ASN A 69 10.238 -19.523 -11.855 1.00 32.25 H new ATOM 0 HD21 ASN A 69 12.322 -21.653 -9.696 1.00 22.13 H new ATOM 0 HD22 ASN A 69 10.910 -21.793 -10.749 1.00 22.13 H new ATOM 1080 N ALA A 70 9.492 -16.698 -12.597 1.00 44.13 N ATOM 1081 CA ALA A 70 8.691 -16.103 -13.660 1.00 0.04 C ATOM 1082 C ALA A 70 8.624 -17.020 -14.876 1.00 64.11 C ATOM 1083 O ALA A 70 8.602 -16.555 -16.016 1.00 4.43 O ATOM 1084 CB ALA A 70 9.256 -14.745 -14.050 1.00 24.40 C ATOM 0 H ALA A 70 10.500 -16.614 -12.731 1.00 44.13 H new ATOM 0 HA ALA A 70 7.677 -15.967 -13.284 1.00 0.04 H new ATOM 0 HB1 ALA A 70 8.648 -14.313 -14.845 1.00 24.40 H new ATOM 0 HB2 ALA A 70 9.245 -14.084 -13.184 1.00 24.40 H new ATOM 0 HB3 ALA A 70 10.281 -14.865 -14.402 1.00 24.40 H new ATOM 1090 N ARG A 71 8.593 -18.325 -14.627 1.00 23.04 N ATOM 1091 CA ARG A 71 8.531 -19.307 -15.702 1.00 63.32 C ATOM 1092 C ARG A 71 7.280 -19.105 -16.552 1.00 1.21 C ATOM 1093 O ARG A 71 7.350 -19.075 -17.780 1.00 1.53 O ATOM 1094 CB ARG A 71 8.547 -20.725 -15.128 1.00 60.23 C ATOM 1095 CG ARG A 71 9.880 -21.119 -14.513 1.00 41.42 C ATOM 1096 CD ARG A 71 10.882 -21.540 -15.577 1.00 11.40 C ATOM 1097 NE ARG A 71 10.508 -22.800 -16.213 1.00 30.13 N ATOM 1098 CZ ARG A 71 10.662 -23.987 -15.637 1.00 72.42 C ATOM 1099 NH1 ARG A 71 11.179 -24.076 -14.420 1.00 2.43 N ATOM 1100 NH2 ARG A 71 10.297 -25.090 -16.280 1.00 4.32 N ATOM 0 H ARG A 71 8.610 -18.727 -13.690 1.00 23.04 H new ATOM 0 HA ARG A 71 9.406 -19.169 -16.337 1.00 63.32 H new ATOM 0 HB2 ARG A 71 7.768 -20.810 -14.370 1.00 60.23 H new ATOM 0 HB3 ARG A 71 8.299 -21.431 -15.920 1.00 60.23 H new ATOM 0 HG2 ARG A 71 10.282 -20.280 -13.945 1.00 41.42 H new ATOM 0 HG3 ARG A 71 9.729 -21.938 -13.809 1.00 41.42 H new ATOM 0 HD2 ARG A 71 10.956 -20.760 -16.334 1.00 11.40 H new ATOM 0 HD3 ARG A 71 11.869 -21.641 -15.126 1.00 11.40 H new ATOM 0 HE ARG A 71 10.107 -22.767 -17.150 1.00 30.13 H new ATOM 0 HH11 ARG A 71 11.460 -23.231 -13.922 1.00 2.43 H new ATOM 0 HH12 ARG A 71 11.296 -24.989 -13.981 1.00 2.43 H new ATOM 0 HH21 ARG A 71 9.898 -25.026 -17.217 1.00 4.32 H new ATOM 0 HH22 ARG A 71 10.415 -26.001 -15.837 1.00 4.32 H new ATOM 1114 N ASN A 72 6.137 -18.967 -15.889 1.00 34.33 N ATOM 1115 CA ASN A 72 4.869 -18.769 -16.583 1.00 5.11 C ATOM 1116 C ASN A 72 4.962 -17.601 -17.560 1.00 72.14 C ATOM 1117 O ASN A 72 4.271 -17.574 -18.579 1.00 62.33 O ATOM 1118 CB ASN A 72 3.746 -18.518 -15.575 1.00 51.53 C ATOM 1119 CG ASN A 72 2.377 -18.840 -16.143 1.00 41.44 C ATOM 1120 OD1 ASN A 72 1.878 -18.139 -17.024 1.00 70.44 O ATOM 1121 ND2 ASN A 72 1.763 -19.904 -15.640 1.00 2.14 N ATOM 0 H ASN A 72 6.062 -18.989 -14.872 1.00 34.33 H new ATOM 0 HA ASN A 72 4.645 -19.675 -17.147 1.00 5.11 H new ATOM 0 HB2 ASN A 72 3.919 -19.123 -14.685 1.00 51.53 H new ATOM 0 HB3 ASN A 72 3.770 -17.475 -15.261 1.00 51.53 H new ATOM 0 HD21 ASN A 72 0.840 -20.170 -15.983 1.00 2.14 H new ATOM 0 HD22 ASN A 72 2.214 -20.456 -14.911 1.00 2.14 H new ATOM 1128 N PHE A 73 5.820 -16.638 -17.243 1.00 42.51 N ATOM 1129 CA PHE A 73 6.003 -15.467 -18.093 1.00 2.53 C ATOM 1130 C PHE A 73 7.075 -15.723 -19.148 1.00 51.43 C ATOM 1131 O PHE A 73 7.943 -14.882 -19.385 1.00 4.33 O ATOM 1132 CB PHE A 73 6.386 -14.251 -17.246 1.00 54.31 C ATOM 1133 CG PHE A 73 5.305 -13.817 -16.298 1.00 13.24 C ATOM 1134 CD1 PHE A 73 5.150 -14.441 -15.071 1.00 33.34 C ATOM 1135 CD2 PHE A 73 4.443 -12.785 -16.634 1.00 3.25 C ATOM 1136 CE1 PHE A 73 4.156 -14.044 -14.195 1.00 63.33 C ATOM 1137 CE2 PHE A 73 3.449 -12.383 -15.762 1.00 75.22 C ATOM 1138 CZ PHE A 73 3.304 -13.014 -14.542 1.00 70.52 C ATOM 0 H PHE A 73 6.400 -16.645 -16.404 1.00 42.51 H new ATOM 0 HA PHE A 73 5.059 -15.266 -18.600 1.00 2.53 H new ATOM 0 HB2 PHE A 73 7.286 -14.484 -16.677 1.00 54.31 H new ATOM 0 HB3 PHE A 73 6.633 -13.421 -17.907 1.00 54.31 H new ATOM 0 HD1 PHE A 73 5.813 -15.247 -14.795 1.00 33.34 H new ATOM 0 HD2 PHE A 73 4.549 -12.290 -17.588 1.00 3.25 H new ATOM 0 HE1 PHE A 73 4.046 -14.539 -13.241 1.00 63.33 H new ATOM 0 HE2 PHE A 73 2.786 -11.575 -16.035 1.00 75.22 H new ATOM 0 HZ PHE A 73 2.526 -12.703 -13.861 1.00 70.52 H new ATOM 1148 N LEU A 74 7.008 -16.889 -19.780 1.00 34.42 N ATOM 1149 CA LEU A 74 7.972 -17.258 -20.811 1.00 32.25 C ATOM 1150 C LEU A 74 7.448 -16.903 -22.198 1.00 42.43 C ATOM 1151 O LEU A 74 8.213 -16.517 -23.083 1.00 62.52 O ATOM 1152 CB LEU A 74 8.279 -18.755 -20.737 1.00 3.20 C ATOM 1153 CG LEU A 74 9.381 -19.260 -21.669 1.00 73.43 C ATOM 1154 CD1 LEU A 74 10.752 -18.883 -21.130 1.00 33.43 C ATOM 1155 CD2 LEU A 74 9.274 -20.767 -21.853 1.00 71.22 C ATOM 0 H LEU A 74 6.296 -17.596 -19.597 1.00 34.42 H new ATOM 0 HA LEU A 74 8.889 -16.696 -20.635 1.00 32.25 H new ATOM 0 HB2 LEU A 74 8.558 -18.998 -19.712 1.00 3.20 H new ATOM 0 HB3 LEU A 74 7.364 -19.305 -20.957 1.00 3.20 H new ATOM 0 HG LEU A 74 9.253 -18.785 -22.642 1.00 73.43 H new ATOM 0 HD11 LEU A 74 11.523 -19.251 -21.807 1.00 33.43 H new ATOM 0 HD12 LEU A 74 10.826 -17.798 -21.051 1.00 33.43 H new ATOM 0 HD13 LEU A 74 10.891 -19.329 -20.145 1.00 33.43 H new ATOM 0 HD21 LEU A 74 10.066 -21.109 -22.519 1.00 71.22 H new ATOM 0 HD22 LEU A 74 9.375 -21.260 -20.886 1.00 71.22 H new ATOM 0 HD23 LEU A 74 8.304 -21.013 -22.286 1.00 71.22 H new ATOM 1167 N THR A 75 6.138 -17.032 -22.382 1.00 72.20 N ATOM 1168 CA THR A 75 5.511 -16.724 -23.661 1.00 42.22 C ATOM 1169 C THR A 75 4.436 -15.655 -23.503 1.00 41.32 C ATOM 1170 O THR A 75 4.234 -14.828 -24.391 1.00 41.33 O ATOM 1171 CB THR A 75 4.882 -17.979 -24.296 1.00 0.45 C ATOM 1172 OG1 THR A 75 4.065 -17.606 -25.411 1.00 31.41 O ATOM 1173 CG2 THR A 75 4.044 -18.738 -23.278 1.00 3.55 C ATOM 0 H THR A 75 5.490 -17.348 -21.660 1.00 72.20 H new ATOM 0 HA THR A 75 6.298 -16.350 -24.316 1.00 42.22 H new ATOM 0 HB THR A 75 5.687 -18.629 -24.637 1.00 0.45 H new ATOM 0 HG1 THR A 75 3.670 -18.409 -25.810 1.00 31.41 H new ATOM 0 HG21 THR A 75 3.610 -19.620 -23.749 1.00 3.55 H new ATOM 0 HG22 THR A 75 4.675 -19.045 -22.444 1.00 3.55 H new ATOM 0 HG23 THR A 75 3.246 -18.093 -22.911 1.00 3.55 H new ATOM 1181 N GLY A 76 3.748 -15.677 -22.365 1.00 43.14 N ATOM 1182 CA GLY A 76 2.702 -14.704 -22.112 1.00 2.41 C ATOM 1183 C GLY A 76 1.327 -15.337 -22.038 1.00 11.34 C ATOM 1184 O GLY A 76 0.355 -14.789 -22.559 1.00 2.41 O ATOM 0 H GLY A 76 3.897 -16.351 -21.614 1.00 43.14 H new ATOM 0 HA2 GLY A 76 2.911 -14.186 -21.176 1.00 2.41 H new ATOM 0 HA3 GLY A 76 2.711 -13.952 -22.901 1.00 2.41 H new ATOM 1188 N ILE A 77 1.244 -16.494 -21.390 1.00 43.10 N ATOM 1189 CA ILE A 77 -0.022 -17.202 -21.250 1.00 52.15 C ATOM 1190 C ILE A 77 -0.097 -17.937 -19.916 1.00 52.44 C ATOM 1191 O ILE A 77 0.903 -18.460 -19.427 1.00 32.11 O ATOM 1192 CB ILE A 77 -0.231 -18.213 -22.393 1.00 63.22 C ATOM 1193 CG1 ILE A 77 0.005 -17.541 -23.747 1.00 62.45 C ATOM 1194 CG2 ILE A 77 -1.630 -18.807 -22.327 1.00 0.54 C ATOM 1195 CD1 ILE A 77 -0.103 -18.491 -24.920 1.00 24.00 C ATOM 0 H ILE A 77 2.039 -16.961 -20.954 1.00 43.10 H new ATOM 0 HA ILE A 77 -0.810 -16.450 -21.292 1.00 52.15 H new ATOM 0 HB ILE A 77 0.491 -19.022 -22.279 1.00 63.22 H new ATOM 0 HG12 ILE A 77 -0.718 -16.735 -23.875 1.00 62.45 H new ATOM 0 HG13 ILE A 77 0.995 -17.085 -23.749 1.00 62.45 H new ATOM 0 HG21 ILE A 77 -1.762 -19.519 -23.141 1.00 0.54 H new ATOM 0 HG22 ILE A 77 -1.764 -19.317 -21.373 1.00 0.54 H new ATOM 0 HG23 ILE A 77 -2.368 -18.010 -22.419 1.00 0.54 H new ATOM 0 HD11 ILE A 77 0.076 -17.946 -25.847 1.00 24.00 H new ATOM 0 HD12 ILE A 77 0.638 -19.283 -24.816 1.00 24.00 H new ATOM 0 HD13 ILE A 77 -1.101 -18.929 -24.943 1.00 24.00 H new ATOM 1207 N GLY A 78 -1.292 -17.973 -19.333 1.00 44.11 N ATOM 1208 CA GLY A 78 -1.476 -18.648 -18.062 1.00 1.45 C ATOM 1209 C GLY A 78 -0.895 -17.865 -16.901 1.00 24.45 C ATOM 1210 O GLY A 78 -0.536 -18.442 -15.873 1.00 12.41 O ATOM 0 H GLY A 78 -2.135 -17.547 -19.718 1.00 44.11 H new ATOM 0 HA2 GLY A 78 -2.540 -18.810 -17.891 1.00 1.45 H new ATOM 0 HA3 GLY A 78 -1.007 -19.631 -18.105 1.00 1.45 H new ATOM 1214 N ILE A 79 -0.799 -16.550 -17.064 1.00 71.30 N ATOM 1215 CA ILE A 79 -0.256 -15.689 -16.021 1.00 54.30 C ATOM 1216 C ILE A 79 -1.032 -15.848 -14.718 1.00 24.44 C ATOM 1217 O ILE A 79 -0.449 -15.847 -13.634 1.00 1.12 O ATOM 1218 CB ILE A 79 -0.284 -14.208 -16.443 1.00 44.13 C ATOM 1219 CG1 ILE A 79 0.561 -13.998 -17.702 1.00 74.41 C ATOM 1220 CG2 ILE A 79 0.217 -13.325 -15.310 1.00 50.32 C ATOM 1221 CD1 ILE A 79 0.357 -12.646 -18.348 1.00 54.12 C ATOM 0 H ILE A 79 -1.090 -16.058 -17.908 1.00 71.30 H new ATOM 0 HA ILE A 79 0.778 -15.995 -15.866 1.00 54.30 H new ATOM 0 HB ILE A 79 -1.313 -13.929 -16.668 1.00 44.13 H new ATOM 0 HG12 ILE A 79 1.614 -14.114 -17.446 1.00 74.41 H new ATOM 0 HG13 ILE A 79 0.321 -14.777 -18.425 1.00 74.41 H new ATOM 0 HG21 ILE A 79 0.191 -12.281 -15.623 1.00 50.32 H new ATOM 0 HG22 ILE A 79 -0.421 -13.457 -14.436 1.00 50.32 H new ATOM 0 HG23 ILE A 79 1.240 -13.603 -15.057 1.00 50.32 H new ATOM 0 HD11 ILE A 79 0.987 -12.567 -19.234 1.00 54.12 H new ATOM 0 HD12 ILE A 79 -0.689 -12.534 -18.635 1.00 54.12 H new ATOM 0 HD13 ILE A 79 0.625 -11.861 -17.641 1.00 54.12 H new ATOM 1233 N GLU A 80 -2.349 -15.988 -14.832 1.00 3.41 N ATOM 1234 CA GLU A 80 -3.203 -16.150 -13.662 1.00 15.53 C ATOM 1235 C GLU A 80 -2.694 -17.276 -12.768 1.00 30.35 C ATOM 1236 O GLU A 80 -2.802 -17.208 -11.544 1.00 2.43 O ATOM 1237 CB GLU A 80 -4.644 -16.436 -14.090 1.00 51.45 C ATOM 1238 CG GLU A 80 -4.777 -17.630 -15.021 1.00 5.42 C ATOM 1239 CD GLU A 80 -6.213 -17.896 -15.428 1.00 1.24 C ATOM 1240 OE1 GLU A 80 -7.107 -17.160 -14.960 1.00 33.44 O ATOM 1241 OE2 GLU A 80 -6.443 -18.839 -16.213 1.00 3.10 O ATOM 0 H GLU A 80 -2.847 -15.992 -15.722 1.00 3.41 H new ATOM 0 HA GLU A 80 -3.178 -15.220 -13.095 1.00 15.53 H new ATOM 0 HB2 GLU A 80 -5.250 -16.610 -13.201 1.00 51.45 H new ATOM 0 HB3 GLU A 80 -5.049 -15.553 -14.585 1.00 51.45 H new ATOM 0 HG2 GLU A 80 -4.176 -17.458 -15.914 1.00 5.42 H new ATOM 0 HG3 GLU A 80 -4.373 -18.515 -14.530 1.00 5.42 H new ATOM 1248 N GLU A 81 -2.140 -18.312 -13.389 1.00 63.51 N ATOM 1249 CA GLU A 81 -1.615 -19.455 -12.650 1.00 11.43 C ATOM 1250 C GLU A 81 -0.667 -18.998 -11.544 1.00 73.22 C ATOM 1251 O GLU A 81 -0.968 -19.133 -10.357 1.00 43.14 O ATOM 1252 CB GLU A 81 -0.889 -20.413 -13.596 1.00 3.12 C ATOM 1253 CG GLU A 81 -0.718 -21.813 -13.031 1.00 20.00 C ATOM 1254 CD GLU A 81 -0.260 -22.812 -14.076 1.00 13.10 C ATOM 1255 OE1 GLU A 81 -0.991 -23.007 -15.070 1.00 14.04 O ATOM 1256 OE2 GLU A 81 0.828 -23.399 -13.900 1.00 51.55 O ATOM 0 H GLU A 81 -2.043 -18.384 -14.402 1.00 63.51 H new ATOM 0 HA GLU A 81 -2.456 -19.977 -12.192 1.00 11.43 H new ATOM 0 HB2 GLU A 81 -1.442 -20.474 -14.533 1.00 3.12 H new ATOM 0 HB3 GLU A 81 0.093 -20.003 -13.832 1.00 3.12 H new ATOM 0 HG2 GLU A 81 0.007 -21.786 -12.217 1.00 20.00 H new ATOM 0 HG3 GLU A 81 -1.664 -22.147 -12.605 1.00 20.00 H new ATOM 1263 N THR A 82 0.480 -18.457 -11.942 1.00 61.42 N ATOM 1264 CA THR A 82 1.473 -17.983 -10.987 1.00 42.51 C ATOM 1265 C THR A 82 0.990 -16.728 -10.269 1.00 52.44 C ATOM 1266 O THR A 82 1.145 -16.595 -9.055 1.00 45.13 O ATOM 1267 CB THR A 82 2.817 -17.680 -11.677 1.00 72.21 C ATOM 1268 OG1 THR A 82 3.183 -18.767 -12.534 1.00 21.52 O ATOM 1269 CG2 THR A 82 3.913 -17.447 -10.648 1.00 51.25 C ATOM 0 H THR A 82 0.744 -18.336 -12.920 1.00 61.42 H new ATOM 0 HA THR A 82 1.618 -18.782 -10.260 1.00 42.51 H new ATOM 0 HB THR A 82 2.700 -16.773 -12.271 1.00 72.21 H new ATOM 0 HG1 THR A 82 4.159 -18.816 -12.601 1.00 21.52 H new ATOM 0 HG21 THR A 82 4.852 -17.235 -11.159 1.00 51.25 H new ATOM 0 HG22 THR A 82 3.645 -16.601 -10.016 1.00 51.25 H new ATOM 0 HG23 THR A 82 4.028 -18.338 -10.031 1.00 51.25 H new ATOM 1277 N LYS A 83 0.402 -15.808 -11.027 1.00 15.01 N ATOM 1278 CA LYS A 83 -0.107 -14.563 -10.463 1.00 74.25 C ATOM 1279 C LYS A 83 -1.013 -14.838 -9.267 1.00 52.43 C ATOM 1280 O LYS A 83 -1.029 -14.074 -8.302 1.00 72.22 O ATOM 1281 CB LYS A 83 -0.874 -13.774 -11.527 1.00 33.00 C ATOM 1282 CG LYS A 83 -1.218 -12.357 -11.102 1.00 54.25 C ATOM 1283 CD LYS A 83 0.029 -11.555 -10.771 1.00 65.45 C ATOM 1284 CE LYS A 83 -0.296 -10.088 -10.541 1.00 3.44 C ATOM 1285 NZ LYS A 83 0.812 -9.377 -9.844 1.00 42.12 N ATOM 0 H LYS A 83 0.266 -15.901 -12.034 1.00 15.01 H new ATOM 0 HA LYS A 83 0.744 -13.972 -10.124 1.00 74.25 H new ATOM 0 HB2 LYS A 83 -0.279 -13.736 -12.439 1.00 33.00 H new ATOM 0 HB3 LYS A 83 -1.794 -14.306 -11.769 1.00 33.00 H new ATOM 0 HG2 LYS A 83 -1.769 -11.861 -11.901 1.00 54.25 H new ATOM 0 HG3 LYS A 83 -1.874 -12.386 -10.232 1.00 54.25 H new ATOM 0 HD2 LYS A 83 0.502 -11.968 -9.880 1.00 65.45 H new ATOM 0 HD3 LYS A 83 0.748 -11.646 -11.585 1.00 65.45 H new ATOM 0 HE2 LYS A 83 -0.492 -9.605 -11.498 1.00 3.44 H new ATOM 0 HE3 LYS A 83 -1.208 -10.006 -9.950 1.00 3.44 H new ATOM 0 HZ1 LYS A 83 0.638 -8.352 -9.871 1.00 42.12 H new ATOM 0 HZ2 LYS A 83 0.860 -9.694 -8.855 1.00 42.12 H new ATOM 0 HZ3 LYS A 83 1.713 -9.587 -10.319 1.00 42.12 H new ATOM 1299 N GLN A 84 -1.764 -15.932 -9.338 1.00 22.20 N ATOM 1300 CA GLN A 84 -2.671 -16.307 -8.260 1.00 11.43 C ATOM 1301 C GLN A 84 -1.918 -16.454 -6.941 1.00 74.25 C ATOM 1302 O GLN A 84 -2.441 -16.122 -5.878 1.00 21.42 O ATOM 1303 CB GLN A 84 -3.389 -17.614 -8.600 1.00 13.43 C ATOM 1304 CG GLN A 84 -4.692 -17.413 -9.356 1.00 54.24 C ATOM 1305 CD GLN A 84 -5.880 -17.224 -8.433 1.00 51.03 C ATOM 1306 OE1 GLN A 84 -6.602 -16.231 -8.527 1.00 1.32 O ATOM 1307 NE2 GLN A 84 -6.089 -18.179 -7.535 1.00 15.13 N ATOM 0 H GLN A 84 -1.762 -16.574 -10.131 1.00 22.20 H new ATOM 0 HA GLN A 84 -3.410 -15.514 -8.149 1.00 11.43 H new ATOM 0 HB2 GLN A 84 -2.725 -18.239 -9.197 1.00 13.43 H new ATOM 0 HB3 GLN A 84 -3.594 -18.157 -7.677 1.00 13.43 H new ATOM 0 HG2 GLN A 84 -4.600 -16.543 -10.006 1.00 54.24 H new ATOM 0 HG3 GLN A 84 -4.871 -18.274 -10.000 1.00 54.24 H new ATOM 0 HE21 GLN A 84 -5.465 -18.985 -7.493 1.00 15.13 H new ATOM 0 HE22 GLN A 84 -6.874 -18.107 -6.887 1.00 15.13 H new ATOM 1316 N GLN A 85 -0.690 -16.954 -7.020 1.00 65.33 N ATOM 1317 CA GLN A 85 0.134 -17.147 -5.832 1.00 50.34 C ATOM 1318 C GLN A 85 0.618 -15.809 -5.283 1.00 14.32 C ATOM 1319 O GLN A 85 0.493 -15.536 -4.088 1.00 62.14 O ATOM 1320 CB GLN A 85 1.332 -18.042 -6.156 1.00 13.52 C ATOM 1321 CG GLN A 85 0.945 -19.379 -6.767 1.00 12.41 C ATOM 1322 CD GLN A 85 -0.073 -20.130 -5.931 1.00 41.41 C ATOM 1323 OE1 GLN A 85 0.212 -20.538 -4.805 1.00 72.51 O ATOM 1324 NE2 GLN A 85 -1.268 -20.315 -6.479 1.00 72.20 N ATOM 0 H GLN A 85 -0.243 -17.233 -7.893 1.00 65.33 H new ATOM 0 HA GLN A 85 -0.477 -17.632 -5.071 1.00 50.34 H new ATOM 0 HB2 GLN A 85 1.993 -17.515 -6.844 1.00 13.52 H new ATOM 0 HB3 GLN A 85 1.899 -18.220 -5.243 1.00 13.52 H new ATOM 0 HG2 GLN A 85 0.539 -19.214 -7.765 1.00 12.41 H new ATOM 0 HG3 GLN A 85 1.838 -19.993 -6.883 1.00 12.41 H new ATOM 0 HE21 GLN A 85 -1.460 -19.959 -7.415 1.00 72.20 H new ATOM 0 HE22 GLN A 85 -1.994 -20.813 -5.964 1.00 72.20 H new ATOM 1333 N ILE A 86 1.169 -14.978 -6.161 1.00 63.53 N ATOM 1334 CA ILE A 86 1.671 -13.669 -5.763 1.00 53.15 C ATOM 1335 C ILE A 86 0.547 -12.790 -5.225 1.00 33.31 C ATOM 1336 O ILE A 86 0.721 -12.076 -4.237 1.00 3.12 O ATOM 1337 CB ILE A 86 2.353 -12.946 -6.940 1.00 22.32 C ATOM 1338 CG1 ILE A 86 3.548 -13.759 -7.442 1.00 24.02 C ATOM 1339 CG2 ILE A 86 2.793 -11.551 -6.521 1.00 73.22 C ATOM 1340 CD1 ILE A 86 3.229 -14.626 -8.640 1.00 44.50 C ATOM 0 H ILE A 86 1.279 -15.188 -7.153 1.00 63.53 H new ATOM 0 HA ILE A 86 2.406 -13.839 -4.976 1.00 53.15 H new ATOM 0 HB ILE A 86 1.635 -12.850 -7.754 1.00 22.32 H new ATOM 0 HG12 ILE A 86 4.357 -13.077 -7.703 1.00 24.02 H new ATOM 0 HG13 ILE A 86 3.912 -14.392 -6.633 1.00 24.02 H new ATOM 0 HG21 ILE A 86 3.273 -11.053 -7.363 1.00 73.22 H new ATOM 0 HG22 ILE A 86 1.923 -10.974 -6.206 1.00 73.22 H new ATOM 0 HG23 ILE A 86 3.498 -11.625 -5.693 1.00 73.22 H new ATOM 0 HD11 ILE A 86 4.122 -15.173 -8.941 1.00 44.50 H new ATOM 0 HD12 ILE A 86 2.441 -15.333 -8.378 1.00 44.50 H new ATOM 0 HD13 ILE A 86 2.893 -13.998 -9.465 1.00 44.50 H new ATOM 1352 N LEU A 87 -0.608 -12.849 -5.879 1.00 62.04 N ATOM 1353 CA LEU A 87 -1.763 -12.060 -5.466 1.00 1.14 C ATOM 1354 C LEU A 87 -2.235 -12.474 -4.076 1.00 13.25 C ATOM 1355 O LEU A 87 -2.689 -11.642 -3.288 1.00 62.33 O ATOM 1356 CB LEU A 87 -2.903 -12.221 -6.473 1.00 3.01 C ATOM 1357 CG LEU A 87 -4.274 -11.719 -6.021 1.00 12.44 C ATOM 1358 CD1 LEU A 87 -4.270 -10.204 -5.886 1.00 52.23 C ATOM 1359 CD2 LEU A 87 -5.354 -12.167 -6.995 1.00 12.44 C ATOM 0 H LEU A 87 -0.769 -13.435 -6.698 1.00 62.04 H new ATOM 0 HA LEU A 87 -1.463 -11.013 -5.432 1.00 1.14 H new ATOM 0 HB2 LEU A 87 -2.630 -11.695 -7.388 1.00 3.01 H new ATOM 0 HB3 LEU A 87 -2.991 -13.278 -6.726 1.00 3.01 H new ATOM 0 HG LEU A 87 -4.493 -12.150 -5.044 1.00 12.44 H new ATOM 0 HD11 LEU A 87 -5.254 -9.865 -5.563 1.00 52.23 H new ATOM 0 HD12 LEU A 87 -3.524 -9.906 -5.149 1.00 52.23 H new ATOM 0 HD13 LEU A 87 -4.029 -9.754 -6.849 1.00 52.23 H new ATOM 0 HD21 LEU A 87 -6.323 -11.801 -6.657 1.00 12.44 H new ATOM 0 HD22 LEU A 87 -5.140 -11.766 -7.986 1.00 12.44 H new ATOM 0 HD23 LEU A 87 -5.374 -13.256 -7.041 1.00 12.44 H new ATOM 1371 N THR A 88 -2.124 -13.765 -3.778 1.00 52.22 N ATOM 1372 CA THR A 88 -2.539 -14.289 -2.483 1.00 64.32 C ATOM 1373 C THR A 88 -1.924 -13.486 -1.343 1.00 32.25 C ATOM 1374 O THR A 88 -2.513 -13.366 -0.269 1.00 30.52 O ATOM 1375 CB THR A 88 -2.144 -15.770 -2.324 1.00 50.23 C ATOM 1376 OG1 THR A 88 -2.777 -16.557 -3.339 1.00 32.21 O ATOM 1377 CG2 THR A 88 -2.539 -16.291 -0.951 1.00 11.33 C ATOM 0 H THR A 88 -1.750 -14.467 -4.417 1.00 52.22 H new ATOM 0 HA THR A 88 -3.625 -14.203 -2.440 1.00 64.32 H new ATOM 0 HB THR A 88 -1.062 -15.848 -2.427 1.00 50.23 H new ATOM 0 HG1 THR A 88 -2.257 -16.501 -4.168 1.00 32.21 H new ATOM 0 HG21 THR A 88 -2.250 -17.338 -0.862 1.00 11.33 H new ATOM 0 HG22 THR A 88 -2.033 -15.708 -0.181 1.00 11.33 H new ATOM 0 HG23 THR A 88 -3.618 -16.200 -0.824 1.00 11.33 H new ATOM 1385 N GLU A 89 -0.738 -12.937 -1.583 1.00 64.34 N ATOM 1386 CA GLU A 89 -0.044 -12.145 -0.574 1.00 71.24 C ATOM 1387 C GLU A 89 -0.104 -10.659 -0.914 1.00 13.32 C ATOM 1388 O GLU A 89 -0.381 -9.824 -0.051 1.00 44.12 O ATOM 1389 CB GLU A 89 1.414 -12.594 -0.455 1.00 51.23 C ATOM 1390 CG GLU A 89 2.112 -12.758 -1.795 1.00 53.50 C ATOM 1391 CD GLU A 89 3.551 -13.212 -1.651 1.00 61.33 C ATOM 1392 OE1 GLU A 89 4.204 -12.810 -0.666 1.00 21.15 O ATOM 1393 OE2 GLU A 89 4.025 -13.970 -2.524 1.00 14.41 O ATOM 0 H GLU A 89 -0.237 -13.026 -2.467 1.00 64.34 H new ATOM 0 HA GLU A 89 -0.544 -12.302 0.382 1.00 71.24 H new ATOM 0 HB2 GLU A 89 1.962 -11.866 0.144 1.00 51.23 H new ATOM 0 HB3 GLU A 89 1.451 -13.541 0.083 1.00 51.23 H new ATOM 0 HG2 GLU A 89 1.565 -13.482 -2.399 1.00 53.50 H new ATOM 0 HG3 GLU A 89 2.086 -11.810 -2.332 1.00 53.50 H new ATOM 1400 N LEU A 90 0.157 -10.335 -2.175 1.00 72.15 N ATOM 1401 CA LEU A 90 0.133 -8.949 -2.630 1.00 62.25 C ATOM 1402 C LEU A 90 -1.168 -8.265 -2.223 1.00 44.55 C ATOM 1403 O LEU A 90 -1.163 -7.117 -1.779 1.00 43.12 O ATOM 1404 CB LEU A 90 0.302 -8.888 -4.150 1.00 14.44 C ATOM 1405 CG LEU A 90 1.665 -8.416 -4.655 1.00 45.11 C ATOM 1406 CD1 LEU A 90 1.703 -8.423 -6.175 1.00 61.44 C ATOM 1407 CD2 LEU A 90 1.982 -7.027 -4.119 1.00 31.32 C ATOM 0 H LEU A 90 0.388 -11.013 -2.901 1.00 72.15 H new ATOM 0 HA LEU A 90 0.962 -8.422 -2.157 1.00 62.25 H new ATOM 0 HB2 LEU A 90 0.110 -9.881 -4.557 1.00 14.44 H new ATOM 0 HB3 LEU A 90 -0.463 -8.225 -4.554 1.00 14.44 H new ATOM 0 HG LEU A 90 2.425 -9.107 -4.289 1.00 45.11 H new ATOM 0 HD11 LEU A 90 2.681 -8.084 -6.516 1.00 61.44 H new ATOM 0 HD12 LEU A 90 1.522 -9.434 -6.539 1.00 61.44 H new ATOM 0 HD13 LEU A 90 0.933 -7.756 -6.561 1.00 61.44 H new ATOM 0 HD21 LEU A 90 2.956 -6.708 -4.489 1.00 31.32 H new ATOM 0 HD22 LEU A 90 1.219 -6.325 -4.454 1.00 31.32 H new ATOM 0 HD23 LEU A 90 1.998 -7.052 -3.029 1.00 31.32 H new ATOM 1419 N GLN A 91 -2.279 -8.978 -2.377 1.00 3.44 N ATOM 1420 CA GLN A 91 -3.587 -8.438 -2.023 1.00 64.43 C ATOM 1421 C GLN A 91 -3.824 -8.527 -0.519 1.00 62.04 C ATOM 1422 O GLN A 91 -4.258 -7.562 0.110 1.00 51.24 O ATOM 1423 CB GLN A 91 -4.690 -9.189 -2.771 1.00 31.13 C ATOM 1424 CG GLN A 91 -6.056 -9.074 -2.114 1.00 54.15 C ATOM 1425 CD GLN A 91 -7.016 -10.155 -2.571 1.00 11.11 C ATOM 1426 OE1 GLN A 91 -8.143 -9.870 -2.978 1.00 44.43 O ATOM 1427 NE2 GLN A 91 -6.574 -11.405 -2.505 1.00 73.44 N ATOM 0 H GLN A 91 -2.300 -9.929 -2.744 1.00 3.44 H new ATOM 0 HA GLN A 91 -3.610 -7.388 -2.314 1.00 64.43 H new ATOM 0 HB2 GLN A 91 -4.752 -8.806 -3.790 1.00 31.13 H new ATOM 0 HB3 GLN A 91 -4.418 -10.242 -2.842 1.00 31.13 H new ATOM 0 HG2 GLN A 91 -5.940 -9.130 -1.032 1.00 54.15 H new ATOM 0 HG3 GLN A 91 -6.482 -8.096 -2.339 1.00 54.15 H new ATOM 0 HE21 GLN A 91 -5.633 -11.596 -2.161 1.00 73.44 H new ATOM 0 HE22 GLN A 91 -7.176 -12.175 -2.798 1.00 73.44 H new ATOM 1436 N LYS A 92 -3.536 -9.692 0.052 1.00 13.53 N ATOM 1437 CA LYS A 92 -3.717 -9.907 1.483 1.00 70.41 C ATOM 1438 C LYS A 92 -3.046 -8.800 2.289 1.00 24.43 C ATOM 1439 O LYS A 92 -1.966 -8.327 1.933 1.00 31.23 O ATOM 1440 CB LYS A 92 -3.146 -11.268 1.890 1.00 13.34 C ATOM 1441 CG LYS A 92 -3.093 -11.479 3.393 1.00 24.25 C ATOM 1442 CD LYS A 92 -2.751 -12.918 3.742 1.00 24.03 C ATOM 1443 CE LYS A 92 -3.988 -13.803 3.733 1.00 4.13 C ATOM 1444 NZ LYS A 92 -3.780 -15.054 4.513 1.00 30.34 N ATOM 0 H LYS A 92 -3.176 -10.501 -0.454 1.00 13.53 H new ATOM 0 HA LYS A 92 -4.786 -9.889 1.696 1.00 70.41 H new ATOM 0 HB2 LYS A 92 -3.752 -12.056 1.442 1.00 13.34 H new ATOM 0 HB3 LYS A 92 -2.140 -11.368 1.482 1.00 13.34 H new ATOM 0 HG2 LYS A 92 -2.350 -10.811 3.829 1.00 24.25 H new ATOM 0 HG3 LYS A 92 -4.055 -11.216 3.833 1.00 24.25 H new ATOM 0 HD2 LYS A 92 -2.022 -13.303 3.029 1.00 24.03 H new ATOM 0 HD3 LYS A 92 -2.284 -12.954 4.726 1.00 24.03 H new ATOM 0 HE2 LYS A 92 -4.832 -13.252 4.148 1.00 4.13 H new ATOM 0 HE3 LYS A 92 -4.247 -14.055 2.705 1.00 4.13 H new ATOM 0 HZ1 LYS A 92 -4.645 -15.630 4.483 1.00 30.34 H new ATOM 0 HZ2 LYS A 92 -2.991 -15.593 4.102 1.00 30.34 H new ATOM 0 HZ3 LYS A 92 -3.558 -14.815 5.500 1.00 30.34 H new TER 1458 LYS A 92