USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1006 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 85 MET CE :methyl -115:sc= -1.75 (180deg=-3.36!) USER MOD Set 1.2: A 112 MET CE :methyl -141:sc= -1.2 (180deg=-1.28) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0751 X(o=-0.075,f=0.0089) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.95 K(o=-3,f=-5.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 32:sc= 0.617 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -3.01! USER MOD Single : A 29 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.032) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.9) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 54 ASN : amide:sc= -2.68! C(o=-2.7!,f=-3.3!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 58 ASN : amide:sc= 0.325 K(o=0.33,f=-2) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -2.48! C(o=-2.5!,f=-1.6!) USER MOD Single : A 74 THR OG1 : rot 50:sc= -0.202 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 2:sc= 1.18 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= -1.75! (180deg=-2.69!) USER MOD Single : A 109 HIS : no HE2:sc= 0.0298 K(o=0.03,f=-3.2!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.83 K(o=-0.83,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.400 -9.080 8.613 1.00 22.14 N ATOM 2 CA MET A 1 -20.428 -8.147 9.132 1.00 22.25 C ATOM 3 C MET A 1 -20.634 -7.021 8.125 1.00 62.42 C ATOM 4 O MET A 1 -21.709 -6.877 7.545 1.00 0.10 O ATOM 5 CB MET A 1 -19.985 -7.598 10.497 1.00 75.42 C ATOM 6 CG MET A 1 -21.041 -6.781 11.232 1.00 62.34 C ATOM 7 SD MET A 1 -21.285 -5.137 10.534 1.00 21.03 S ATOM 8 CE MET A 1 -22.425 -4.430 11.720 1.00 50.04 C ATOM 0 H1 MET A 1 -19.255 -9.851 9.296 1.00 22.14 H new ATOM 0 H2 MET A 1 -19.717 -9.476 7.705 1.00 22.14 H new ATOM 0 H3 MET A 1 -18.506 -8.568 8.473 1.00 22.14 H new ATOM 0 HA MET A 1 -21.375 -8.669 9.269 1.00 22.25 H new ATOM 0 HB2 MET A 1 -19.688 -8.434 11.130 1.00 75.42 H new ATOM 0 HB3 MET A 1 -19.101 -6.977 10.353 1.00 75.42 H new ATOM 0 HG2 MET A 1 -21.988 -7.321 11.211 1.00 62.34 H new ATOM 0 HG3 MET A 1 -20.752 -6.684 12.279 1.00 62.34 H new ATOM 0 HE1 MET A 1 -22.672 -3.410 11.424 1.00 50.04 H new ATOM 0 HE2 MET A 1 -23.335 -5.029 11.752 1.00 50.04 H new ATOM 0 HE3 MET A 1 -21.963 -4.420 12.707 1.00 50.04 H new ATOM 20 N HIS A 2 -19.594 -6.227 7.922 1.00 53.15 N ATOM 21 CA HIS A 2 -19.584 -5.214 6.875 1.00 53.34 C ATOM 22 C HIS A 2 -18.301 -5.350 6.082 1.00 31.44 C ATOM 23 O HIS A 2 -18.316 -5.370 4.852 1.00 63.04 O ATOM 24 CB HIS A 2 -19.704 -3.801 7.469 1.00 55.10 C ATOM 25 CG HIS A 2 -19.514 -2.698 6.463 1.00 72.23 C ATOM 26 ND1 HIS A 2 -18.575 -1.699 6.614 1.00 21.12 N ATOM 27 CD2 HIS A 2 -20.143 -2.443 5.290 1.00 15.31 C ATOM 28 CE1 HIS A 2 -18.631 -0.883 5.580 1.00 34.32 C ATOM 29 NE2 HIS A 2 -19.572 -1.311 4.762 1.00 3.53 N ATOM 0 H HIS A 2 -18.737 -6.265 8.474 1.00 53.15 H new ATOM 0 HA HIS A 2 -20.442 -5.365 6.220 1.00 53.34 H new ATOM 0 HB2 HIS A 2 -20.686 -3.694 7.930 1.00 55.10 H new ATOM 0 HB3 HIS A 2 -18.965 -3.687 8.262 1.00 55.10 H new ATOM 0 HD2 HIS A 2 -20.943 -3.021 4.852 1.00 15.31 H new ATOM 0 HE1 HIS A 2 -18.011 -0.012 5.429 1.00 34.32 H new ATOM 0 HE2 HIS A 2 -19.834 -0.872 3.879 1.00 3.53 H new ATOM 38 N ASP A 3 -17.199 -5.453 6.822 1.00 25.44 N ATOM 39 CA ASP A 3 -15.871 -5.703 6.269 1.00 71.42 C ATOM 40 C ASP A 3 -15.341 -4.489 5.511 1.00 22.13 C ATOM 41 O ASP A 3 -16.103 -3.760 4.879 1.00 2.25 O ATOM 42 CB ASP A 3 -15.870 -6.947 5.373 1.00 13.41 C ATOM 43 CG ASP A 3 -16.398 -8.177 6.090 1.00 33.53 C ATOM 44 OD1 ASP A 3 -16.258 -8.261 7.330 1.00 54.43 O ATOM 45 OD2 ASP A 3 -16.977 -9.054 5.417 1.00 33.52 O ATOM 0 H ASP A 3 -17.204 -5.364 7.838 1.00 25.44 H new ATOM 0 HA ASP A 3 -15.200 -5.888 7.108 1.00 71.42 H new ATOM 0 HB2 ASP A 3 -16.479 -6.756 4.489 1.00 13.41 H new ATOM 0 HB3 ASP A 3 -14.855 -7.140 5.025 1.00 13.41 H new ATOM 50 N ILE A 4 -14.024 -4.291 5.613 1.00 1.40 N ATOM 51 CA ILE A 4 -13.307 -3.152 5.018 1.00 50.55 C ATOM 52 C ILE A 4 -13.962 -1.815 5.377 1.00 10.11 C ATOM 53 O ILE A 4 -14.813 -1.741 6.264 1.00 75.20 O ATOM 54 CB ILE A 4 -13.137 -3.267 3.471 1.00 25.41 C ATOM 55 CG1 ILE A 4 -14.439 -2.965 2.711 1.00 33.22 C ATOM 56 CG2 ILE A 4 -12.627 -4.653 3.101 1.00 33.20 C ATOM 57 CD1 ILE A 4 -14.280 -2.967 1.204 1.00 70.33 C ATOM 0 H ILE A 4 -13.411 -4.929 6.121 1.00 1.40 H new ATOM 0 HA ILE A 4 -12.309 -3.183 5.455 1.00 50.55 H new ATOM 0 HB ILE A 4 -12.407 -2.514 3.172 1.00 25.41 H new ATOM 0 HG12 ILE A 4 -15.191 -3.703 2.989 1.00 33.22 H new ATOM 0 HG13 ILE A 4 -14.816 -1.992 3.026 1.00 33.22 H new ATOM 0 HG21 ILE A 4 -12.512 -4.722 2.019 1.00 33.20 H new ATOM 0 HG22 ILE A 4 -11.663 -4.826 3.580 1.00 33.20 H new ATOM 0 HG23 ILE A 4 -13.340 -5.405 3.439 1.00 33.20 H new ATOM 0 HD11 ILE A 4 -15.240 -2.746 0.737 1.00 70.33 H new ATOM 0 HD12 ILE A 4 -13.552 -2.209 0.914 1.00 70.33 H new ATOM 0 HD13 ILE A 4 -13.933 -3.947 0.876 1.00 70.33 H new ATOM 69 N ASP A 5 -13.520 -0.754 4.723 1.00 62.21 N ATOM 70 CA ASP A 5 -14.129 0.554 4.905 1.00 21.12 C ATOM 71 C ASP A 5 -15.134 0.789 3.783 1.00 70.40 C ATOM 72 O ASP A 5 -16.333 0.577 3.963 1.00 61.23 O ATOM 73 CB ASP A 5 -13.052 1.646 4.923 1.00 42.40 C ATOM 74 CG ASP A 5 -13.609 3.024 5.224 1.00 21.05 C ATOM 75 OD1 ASP A 5 -13.718 3.375 6.420 1.00 23.32 O ATOM 76 OD2 ASP A 5 -13.918 3.767 4.272 1.00 32.22 O ATOM 0 H ASP A 5 -12.743 -0.772 4.062 1.00 62.21 H new ATOM 0 HA ASP A 5 -14.649 0.592 5.862 1.00 21.12 H new ATOM 0 HB2 ASP A 5 -12.299 1.394 5.670 1.00 42.40 H new ATOM 0 HB3 ASP A 5 -12.548 1.667 3.957 1.00 42.40 H new ATOM 81 N ASP A 6 -14.616 1.186 2.623 1.00 64.22 N ATOM 82 CA ASP A 6 -15.396 1.325 1.394 1.00 1.13 C ATOM 83 C ASP A 6 -14.495 1.960 0.341 1.00 74.20 C ATOM 84 O ASP A 6 -13.287 2.067 0.560 1.00 64.04 O ATOM 85 CB ASP A 6 -16.653 2.183 1.609 1.00 41.31 C ATOM 86 CG ASP A 6 -17.700 1.951 0.537 1.00 21.22 C ATOM 87 OD1 ASP A 6 -18.482 0.988 0.655 1.00 61.23 O ATOM 88 OD2 ASP A 6 -17.740 2.732 -0.438 1.00 2.34 O ATOM 0 H ASP A 6 -13.631 1.423 2.508 1.00 64.22 H new ATOM 0 HA ASP A 6 -15.739 0.342 1.070 1.00 1.13 H new ATOM 0 HB2 ASP A 6 -17.081 1.958 2.586 1.00 41.31 H new ATOM 0 HB3 ASP A 6 -16.374 3.237 1.618 1.00 41.31 H new ATOM 93 N TYR A 7 -15.058 2.389 -0.779 1.00 44.30 N ATOM 94 CA TYR A 7 -14.267 3.037 -1.821 1.00 52.42 C ATOM 95 C TYR A 7 -14.995 4.254 -2.402 1.00 15.52 C ATOM 96 O TYR A 7 -15.338 4.289 -3.583 1.00 4.40 O ATOM 97 CB TYR A 7 -13.884 2.036 -2.928 1.00 34.22 C ATOM 98 CG TYR A 7 -15.028 1.180 -3.445 1.00 14.54 C ATOM 99 CD1 TYR A 7 -15.345 -0.032 -2.839 1.00 50.11 C ATOM 100 CD2 TYR A 7 -15.781 1.574 -4.545 1.00 42.31 C ATOM 101 CE1 TYR A 7 -16.376 -0.820 -3.311 1.00 54.02 C ATOM 102 CE2 TYR A 7 -16.812 0.791 -5.023 1.00 31.13 C ATOM 103 CZ TYR A 7 -17.106 -0.402 -4.404 1.00 64.02 C ATOM 104 OH TYR A 7 -18.128 -1.186 -4.888 1.00 53.10 O ATOM 0 H TYR A 7 -16.052 2.302 -0.991 1.00 44.30 H new ATOM 0 HA TYR A 7 -13.346 3.396 -1.361 1.00 52.42 H new ATOM 0 HB2 TYR A 7 -13.457 2.589 -3.765 1.00 34.22 H new ATOM 0 HB3 TYR A 7 -13.102 1.379 -2.548 1.00 34.22 H new ATOM 0 HD1 TYR A 7 -14.774 -0.362 -1.984 1.00 50.11 H new ATOM 0 HD2 TYR A 7 -15.555 2.510 -5.034 1.00 42.31 H new ATOM 0 HE1 TYR A 7 -16.609 -1.757 -2.828 1.00 54.02 H new ATOM 0 HE2 TYR A 7 -17.386 1.113 -5.879 1.00 31.13 H new ATOM 0 HH TYR A 7 -18.541 -0.746 -5.660 1.00 53.10 H new ATOM 114 N PRO A 8 -15.225 5.291 -1.574 1.00 24.33 N ATOM 115 CA PRO A 8 -15.925 6.500 -1.998 1.00 33.11 C ATOM 116 C PRO A 8 -14.968 7.557 -2.543 1.00 1.52 C ATOM 117 O PRO A 8 -15.349 8.709 -2.752 1.00 21.24 O ATOM 118 CB PRO A 8 -16.572 6.980 -0.700 1.00 54.03 C ATOM 119 CG PRO A 8 -15.613 6.582 0.376 1.00 51.33 C ATOM 120 CD PRO A 8 -14.822 5.375 -0.157 1.00 20.50 C ATOM 0 HA PRO A 8 -16.631 6.315 -2.808 1.00 33.11 H new ATOM 0 HB2 PRO A 8 -16.728 8.059 -0.711 1.00 54.03 H new ATOM 0 HB3 PRO A 8 -17.548 6.518 -0.550 1.00 54.03 H new ATOM 0 HG2 PRO A 8 -14.943 7.406 0.620 1.00 51.33 H new ATOM 0 HG3 PRO A 8 -16.145 6.322 1.291 1.00 51.33 H new ATOM 0 HD2 PRO A 8 -13.747 5.524 -0.055 1.00 20.50 H new ATOM 0 HD3 PRO A 8 -15.071 4.462 0.385 1.00 20.50 H new ATOM 128 N GLN A 9 -13.727 7.156 -2.771 1.00 52.42 N ATOM 129 CA GLN A 9 -12.700 8.074 -3.228 1.00 4.25 C ATOM 130 C GLN A 9 -11.655 7.337 -4.056 1.00 31.30 C ATOM 131 O GLN A 9 -11.244 6.234 -3.701 1.00 72.22 O ATOM 132 CB GLN A 9 -12.045 8.754 -2.020 1.00 1.23 C ATOM 133 CG GLN A 9 -10.993 9.786 -2.386 1.00 73.12 C ATOM 134 CD GLN A 9 -9.576 9.340 -2.067 1.00 55.05 C ATOM 135 OE1 GLN A 9 -8.716 10.168 -1.777 1.00 61.50 O ATOM 136 NE2 GLN A 9 -9.319 8.038 -2.124 1.00 51.11 N ATOM 0 H GLN A 9 -13.407 6.196 -2.646 1.00 52.42 H new ATOM 0 HA GLN A 9 -13.158 8.834 -3.860 1.00 4.25 H new ATOM 0 HB2 GLN A 9 -12.820 9.236 -1.423 1.00 1.23 H new ATOM 0 HB3 GLN A 9 -11.587 7.991 -1.391 1.00 1.23 H new ATOM 0 HG2 GLN A 9 -11.066 10.007 -3.451 1.00 73.12 H new ATOM 0 HG3 GLN A 9 -11.203 10.713 -1.853 1.00 73.12 H new ATOM 0 HE21 GLN A 9 -10.061 7.382 -2.369 1.00 51.11 H new ATOM 0 HE22 GLN A 9 -8.380 7.694 -1.923 1.00 51.11 H new ATOM 145 N ALA A 10 -11.210 7.967 -5.134 1.00 32.13 N ATOM 146 CA ALA A 10 -10.247 7.372 -6.041 1.00 54.52 C ATOM 147 C ALA A 10 -9.612 8.463 -6.888 1.00 51.34 C ATOM 148 O ALA A 10 -10.058 8.756 -7.997 1.00 44.14 O ATOM 149 CB ALA A 10 -10.905 6.317 -6.922 1.00 11.31 C ATOM 0 H ALA A 10 -11.508 8.905 -5.402 1.00 32.13 H new ATOM 0 HA ALA A 10 -9.472 6.874 -5.458 1.00 54.52 H new ATOM 0 HB1 ALA A 10 -10.161 5.887 -7.592 1.00 11.31 H new ATOM 0 HB2 ALA A 10 -11.326 5.531 -6.295 1.00 11.31 H new ATOM 0 HB3 ALA A 10 -11.699 6.777 -7.509 1.00 11.31 H new ATOM 155 N LYS A 11 -8.596 9.093 -6.329 1.00 33.31 N ATOM 156 CA LYS A 11 -7.893 10.167 -7.011 1.00 72.11 C ATOM 157 C LYS A 11 -6.979 9.591 -8.082 1.00 11.12 C ATOM 158 O LYS A 11 -6.851 8.374 -8.202 1.00 40.22 O ATOM 159 CB LYS A 11 -7.117 11.013 -6.002 1.00 55.35 C ATOM 160 CG LYS A 11 -8.013 11.632 -4.936 1.00 54.14 C ATOM 161 CD LYS A 11 -7.250 12.567 -4.010 1.00 55.23 C ATOM 162 CE LYS A 11 -6.176 11.839 -3.215 1.00 44.51 C ATOM 163 NZ LYS A 11 -5.451 12.753 -2.290 1.00 20.21 N ATOM 0 H LYS A 11 -8.236 8.879 -5.399 1.00 33.31 H new ATOM 0 HA LYS A 11 -8.615 10.819 -7.503 1.00 72.11 H new ATOM 0 HB2 LYS A 11 -6.362 10.393 -5.520 1.00 55.35 H new ATOM 0 HB3 LYS A 11 -6.588 11.806 -6.531 1.00 55.35 H new ATOM 0 HG2 LYS A 11 -8.821 12.182 -5.419 1.00 54.14 H new ATOM 0 HG3 LYS A 11 -8.475 10.839 -4.348 1.00 54.14 H new ATOM 0 HD2 LYS A 11 -6.789 13.361 -4.598 1.00 55.23 H new ATOM 0 HD3 LYS A 11 -7.948 13.044 -3.322 1.00 55.23 H new ATOM 0 HE2 LYS A 11 -6.633 11.032 -2.643 1.00 44.51 H new ATOM 0 HE3 LYS A 11 -5.465 11.380 -3.902 1.00 44.51 H new ATOM 0 HZ1 LYS A 11 -4.729 12.217 -1.768 1.00 20.21 H new ATOM 0 HZ2 LYS A 11 -4.993 13.509 -2.838 1.00 20.21 H new ATOM 0 HZ3 LYS A 11 -6.125 13.172 -1.617 1.00 20.21 H new ATOM 177 N ARG A 12 -6.389 10.455 -8.892 1.00 22.14 N ATOM 178 CA ARG A 12 -5.465 10.012 -9.934 1.00 30.40 C ATOM 179 C ARG A 12 -4.546 11.139 -10.402 1.00 21.31 C ATOM 180 O ARG A 12 -3.382 10.902 -10.716 1.00 34.41 O ATOM 181 CB ARG A 12 -6.218 9.412 -11.138 1.00 55.21 C ATOM 182 CG ARG A 12 -7.467 10.183 -11.554 1.00 4.04 C ATOM 183 CD ARG A 12 -8.715 9.660 -10.845 1.00 60.22 C ATOM 184 NE ARG A 12 -9.277 8.479 -11.502 1.00 72.23 N ATOM 185 CZ ARG A 12 -9.040 7.212 -11.137 1.00 64.54 C ATOM 186 NH1 ARG A 12 -8.216 6.931 -10.129 1.00 34.22 N ATOM 187 NH2 ARG A 12 -9.635 6.220 -11.790 1.00 14.04 N ATOM 0 H ARG A 12 -6.530 11.464 -8.852 1.00 22.14 H new ATOM 0 HA ARG A 12 -4.846 9.234 -9.487 1.00 30.40 H new ATOM 0 HB2 ARG A 12 -5.537 9.363 -11.988 1.00 55.21 H new ATOM 0 HB3 ARG A 12 -6.502 8.387 -10.898 1.00 55.21 H new ATOM 0 HG2 ARG A 12 -7.335 11.241 -11.326 1.00 4.04 H new ATOM 0 HG3 ARG A 12 -7.601 10.104 -12.633 1.00 4.04 H new ATOM 0 HD2 ARG A 12 -8.467 9.414 -9.813 1.00 60.22 H new ATOM 0 HD3 ARG A 12 -9.468 10.447 -10.813 1.00 60.22 H new ATOM 0 HE ARG A 12 -9.896 8.632 -12.298 1.00 72.23 H new ATOM 0 HH11 ARG A 12 -7.754 7.686 -9.622 1.00 34.22 H new ATOM 0 HH12 ARG A 12 -8.047 5.961 -9.864 1.00 34.22 H new ATOM 0 HH21 ARG A 12 -10.267 6.426 -12.564 1.00 14.04 H new ATOM 0 HH22 ARG A 12 -9.460 5.253 -11.518 1.00 14.04 H new ATOM 201 N VAL A 13 -5.056 12.366 -10.442 1.00 63.01 N ATOM 202 CA VAL A 13 -4.273 13.483 -10.970 1.00 4.23 C ATOM 203 C VAL A 13 -3.440 14.177 -9.879 1.00 24.25 C ATOM 204 O VAL A 13 -2.215 14.206 -9.981 1.00 0.14 O ATOM 205 CB VAL A 13 -5.155 14.517 -11.710 1.00 70.44 C ATOM 206 CG1 VAL A 13 -4.297 15.617 -12.317 1.00 64.11 C ATOM 207 CG2 VAL A 13 -5.992 13.836 -12.783 1.00 32.32 C ATOM 0 H VAL A 13 -5.992 12.612 -10.121 1.00 63.01 H new ATOM 0 HA VAL A 13 -3.584 13.048 -11.694 1.00 4.23 H new ATOM 0 HB VAL A 13 -5.831 14.971 -10.986 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -4.936 16.334 -12.833 1.00 64.11 H new ATOM 0 HG12 VAL A 13 -3.745 16.126 -11.527 1.00 64.11 H new ATOM 0 HG13 VAL A 13 -3.595 15.181 -13.027 1.00 64.11 H new ATOM 0 HG21 VAL A 13 -6.605 14.579 -13.292 1.00 32.32 H new ATOM 0 HG22 VAL A 13 -5.334 13.352 -13.505 1.00 32.32 H new ATOM 0 HG23 VAL A 13 -6.637 13.088 -12.321 1.00 32.32 H new ATOM 217 N PRO A 14 -4.061 14.730 -8.807 1.00 41.15 N ATOM 218 CA PRO A 14 -3.322 15.448 -7.763 1.00 44.12 C ATOM 219 C PRO A 14 -2.850 14.512 -6.655 1.00 22.14 C ATOM 220 O PRO A 14 -2.970 14.824 -5.466 1.00 21.32 O ATOM 221 CB PRO A 14 -4.372 16.421 -7.230 1.00 62.40 C ATOM 222 CG PRO A 14 -5.653 15.665 -7.312 1.00 41.44 C ATOM 223 CD PRO A 14 -5.508 14.699 -8.496 1.00 52.04 C ATOM 0 HA PRO A 14 -2.417 15.927 -8.136 1.00 44.12 H new ATOM 0 HB2 PRO A 14 -4.152 16.721 -6.205 1.00 62.40 H new ATOM 0 HB3 PRO A 14 -4.409 17.332 -7.827 1.00 62.40 H new ATOM 0 HG2 PRO A 14 -5.843 15.121 -6.387 1.00 41.44 H new ATOM 0 HG3 PRO A 14 -6.495 16.341 -7.463 1.00 41.44 H new ATOM 0 HD2 PRO A 14 -5.839 13.694 -8.234 1.00 52.04 H new ATOM 0 HD3 PRO A 14 -6.107 15.020 -9.349 1.00 52.04 H new ATOM 231 N GLY A 15 -2.308 13.372 -7.053 1.00 34.13 N ATOM 232 CA GLY A 15 -1.938 12.354 -6.098 1.00 25.43 C ATOM 233 C GLY A 15 -3.132 11.507 -5.713 1.00 53.34 C ATOM 234 O GLY A 15 -4.187 12.036 -5.372 1.00 3.23 O ATOM 0 H GLY A 15 -2.118 13.134 -8.026 1.00 34.13 H new ATOM 0 HA2 GLY A 15 -1.160 11.719 -6.522 1.00 25.43 H new ATOM 0 HA3 GLY A 15 -1.518 12.822 -5.208 1.00 25.43 H new ATOM 238 N LEU A 16 -2.986 10.198 -5.780 1.00 4.12 N ATOM 239 CA LEU A 16 -4.075 9.297 -5.451 1.00 43.35 C ATOM 240 C LEU A 16 -3.695 8.467 -4.248 1.00 4.12 C ATOM 241 O LEU A 16 -2.517 8.202 -4.016 1.00 72.52 O ATOM 242 CB LEU A 16 -4.421 8.401 -6.643 1.00 34.43 C ATOM 243 CG LEU A 16 -3.360 7.394 -7.076 1.00 60.32 C ATOM 244 CD1 LEU A 16 -3.581 6.046 -6.399 1.00 65.45 C ATOM 245 CD2 LEU A 16 -3.364 7.247 -8.589 1.00 61.22 C ATOM 0 H LEU A 16 -2.122 9.733 -6.060 1.00 4.12 H new ATOM 0 HA LEU A 16 -4.962 9.884 -5.212 1.00 43.35 H new ATOM 0 HB2 LEU A 16 -5.332 7.853 -6.403 1.00 34.43 H new ATOM 0 HB3 LEU A 16 -4.649 9.042 -7.495 1.00 34.43 H new ATOM 0 HG LEU A 16 -2.383 7.766 -6.766 1.00 60.32 H new ATOM 0 HD11 LEU A 16 -2.812 5.345 -6.724 1.00 65.45 H new ATOM 0 HD12 LEU A 16 -3.526 6.169 -5.317 1.00 65.45 H new ATOM 0 HD13 LEU A 16 -4.563 5.659 -6.671 1.00 65.45 H new ATOM 0 HD21 LEU A 16 -2.603 6.526 -8.887 1.00 61.22 H new ATOM 0 HD22 LEU A 16 -4.343 6.898 -8.918 1.00 61.22 H new ATOM 0 HD23 LEU A 16 -3.149 8.212 -9.049 1.00 61.22 H new ATOM 257 N VAL A 17 -4.686 8.075 -3.474 1.00 53.54 N ATOM 258 CA VAL A 17 -4.431 7.328 -2.268 1.00 32.02 C ATOM 259 C VAL A 17 -5.201 6.014 -2.288 1.00 51.44 C ATOM 260 O VAL A 17 -6.424 5.976 -2.138 1.00 12.53 O ATOM 261 CB VAL A 17 -4.763 8.163 -1.004 1.00 3.03 C ATOM 262 CG1 VAL A 17 -3.968 9.451 -1.025 1.00 70.13 C ATOM 263 CG2 VAL A 17 -6.243 8.489 -0.892 1.00 62.42 C ATOM 0 H VAL A 17 -5.671 8.262 -3.661 1.00 53.54 H new ATOM 0 HA VAL A 17 -3.366 7.098 -2.227 1.00 32.02 H new ATOM 0 HB VAL A 17 -4.494 7.559 -0.138 1.00 3.03 H new ATOM 0 HG11 VAL A 17 -4.202 10.037 -0.136 1.00 70.13 H new ATOM 0 HG12 VAL A 17 -2.903 9.221 -1.038 1.00 70.13 H new ATOM 0 HG13 VAL A 17 -4.226 10.024 -1.916 1.00 70.13 H new ATOM 0 HG21 VAL A 17 -6.419 9.075 0.010 1.00 62.42 H new ATOM 0 HG22 VAL A 17 -6.556 9.063 -1.764 1.00 62.42 H new ATOM 0 HG23 VAL A 17 -6.817 7.564 -0.842 1.00 62.42 H new ATOM 273 N VAL A 18 -4.488 4.931 -2.536 1.00 64.22 N ATOM 274 CA VAL A 18 -5.114 3.622 -2.544 1.00 34.24 C ATOM 275 C VAL A 18 -4.812 2.886 -1.247 1.00 62.42 C ATOM 276 O VAL A 18 -3.817 2.166 -1.121 1.00 1.02 O ATOM 277 CB VAL A 18 -4.711 2.772 -3.773 1.00 40.43 C ATOM 278 CG1 VAL A 18 -5.438 3.264 -5.016 1.00 53.15 C ATOM 279 CG2 VAL A 18 -3.206 2.801 -3.995 1.00 72.55 C ATOM 0 H VAL A 18 -3.487 4.930 -2.732 1.00 64.22 H new ATOM 0 HA VAL A 18 -6.190 3.780 -2.621 1.00 34.24 H new ATOM 0 HB VAL A 18 -5.002 1.740 -3.578 1.00 40.43 H new ATOM 0 HG11 VAL A 18 -5.145 2.657 -5.873 1.00 53.15 H new ATOM 0 HG12 VAL A 18 -6.514 3.182 -4.864 1.00 53.15 H new ATOM 0 HG13 VAL A 18 -5.176 4.305 -5.202 1.00 53.15 H new ATOM 0 HG21 VAL A 18 -2.955 2.195 -4.865 1.00 72.55 H new ATOM 0 HG22 VAL A 18 -2.883 3.828 -4.163 1.00 72.55 H new ATOM 0 HG23 VAL A 18 -2.701 2.401 -3.116 1.00 72.55 H new ATOM 289 N TYR A 19 -5.667 3.122 -0.266 1.00 21.24 N ATOM 290 CA TYR A 19 -5.516 2.527 1.047 1.00 1.21 C ATOM 291 C TYR A 19 -5.756 1.026 1.005 1.00 42.52 C ATOM 292 O TYR A 19 -6.451 0.516 0.126 1.00 0.42 O ATOM 293 CB TYR A 19 -6.461 3.193 2.053 1.00 62.34 C ATOM 294 CG TYR A 19 -7.857 3.447 1.519 1.00 72.42 C ATOM 295 CD1 TYR A 19 -8.776 2.414 1.373 1.00 41.32 C ATOM 296 CD2 TYR A 19 -8.253 4.730 1.162 1.00 15.52 C ATOM 297 CE1 TYR A 19 -10.044 2.652 0.882 1.00 3.31 C ATOM 298 CE2 TYR A 19 -9.520 4.976 0.673 1.00 12.25 C ATOM 299 CZ TYR A 19 -10.412 3.935 0.535 1.00 73.44 C ATOM 300 OH TYR A 19 -11.674 4.178 0.048 1.00 72.20 O ATOM 0 H TYR A 19 -6.481 3.729 -0.359 1.00 21.24 H new ATOM 0 HA TYR A 19 -4.489 2.693 1.371 1.00 1.21 H new ATOM 0 HB2 TYR A 19 -6.532 2.563 2.940 1.00 62.34 H new ATOM 0 HB3 TYR A 19 -6.027 4.141 2.370 1.00 62.34 H new ATOM 0 HD1 TYR A 19 -8.493 1.409 1.648 1.00 41.32 H new ATOM 0 HD2 TYR A 19 -7.557 5.549 1.269 1.00 15.52 H new ATOM 0 HE1 TYR A 19 -10.744 1.838 0.770 1.00 3.31 H new ATOM 0 HE2 TYR A 19 -9.811 5.980 0.400 1.00 12.25 H new ATOM 0 HH TYR A 19 -12.308 3.551 0.455 1.00 72.20 H new ATOM 310 N ARG A 20 -5.151 0.321 1.942 1.00 24.43 N ATOM 311 CA ARG A 20 -5.347 -1.111 2.050 1.00 62.12 C ATOM 312 C ARG A 20 -6.651 -1.401 2.779 1.00 14.14 C ATOM 313 O ARG A 20 -6.932 -0.807 3.823 1.00 3.43 O ATOM 314 CB ARG A 20 -4.163 -1.764 2.768 1.00 30.51 C ATOM 315 CG ARG A 20 -2.838 -1.581 2.047 1.00 75.54 C ATOM 316 CD ARG A 20 -2.924 -2.069 0.610 1.00 20.14 C ATOM 317 NE ARG A 20 -1.653 -1.947 -0.096 1.00 63.24 N ATOM 318 CZ ARG A 20 -1.486 -1.234 -1.210 1.00 42.13 C ATOM 319 NH1 ARG A 20 -2.480 -0.485 -1.679 1.00 73.44 N ATOM 320 NH2 ARG A 20 -0.317 -1.245 -1.840 1.00 11.13 N ATOM 0 H ARG A 20 -4.520 0.717 2.639 1.00 24.43 H new ATOM 0 HA ARG A 20 -5.406 -1.536 1.048 1.00 62.12 H new ATOM 0 HB2 ARG A 20 -4.082 -1.346 3.771 1.00 30.51 H new ATOM 0 HB3 ARG A 20 -4.361 -2.830 2.882 1.00 30.51 H new ATOM 0 HG2 ARG A 20 -2.556 -0.528 2.060 1.00 75.54 H new ATOM 0 HG3 ARG A 20 -2.056 -2.128 2.574 1.00 75.54 H new ATOM 0 HD2 ARG A 20 -3.243 -3.111 0.602 1.00 20.14 H new ATOM 0 HD3 ARG A 20 -3.687 -1.498 0.080 1.00 20.14 H new ATOM 0 HE ARG A 20 -0.844 -2.437 0.286 1.00 63.24 H new ATOM 0 HH11 ARG A 20 -3.373 -0.455 -1.186 1.00 73.44 H new ATOM 0 HH12 ARG A 20 -2.350 0.060 -2.532 1.00 73.44 H new ATOM 0 HH21 ARG A 20 0.456 -1.800 -1.472 1.00 11.13 H new ATOM 0 HH22 ARG A 20 -0.192 -0.699 -2.692 1.00 11.13 H new ATOM 334 N TYR A 21 -7.450 -2.293 2.209 1.00 11.41 N ATOM 335 CA TYR A 21 -8.751 -2.633 2.767 1.00 1.20 C ATOM 336 C TYR A 21 -8.599 -3.333 4.111 1.00 72.30 C ATOM 337 O TYR A 21 -8.074 -4.443 4.189 1.00 45.33 O ATOM 338 CB TYR A 21 -9.527 -3.527 1.799 1.00 15.31 C ATOM 339 CG TYR A 21 -9.764 -2.899 0.446 1.00 22.43 C ATOM 340 CD1 TYR A 21 -10.719 -1.904 0.277 1.00 73.15 C ATOM 341 CD2 TYR A 21 -9.040 -3.310 -0.666 1.00 24.21 C ATOM 342 CE1 TYR A 21 -10.941 -1.333 -0.961 1.00 72.24 C ATOM 343 CE2 TYR A 21 -9.256 -2.743 -1.908 1.00 63.45 C ATOM 344 CZ TYR A 21 -10.211 -1.758 -2.049 1.00 72.24 C ATOM 345 OH TYR A 21 -10.431 -1.190 -3.284 1.00 21.31 O ATOM 0 H TYR A 21 -7.217 -2.797 1.354 1.00 11.41 H new ATOM 0 HA TYR A 21 -9.306 -1.707 2.920 1.00 1.20 H new ATOM 0 HB2 TYR A 21 -8.981 -4.461 1.665 1.00 15.31 H new ATOM 0 HB3 TYR A 21 -10.489 -3.781 2.245 1.00 15.31 H new ATOM 0 HD1 TYR A 21 -11.297 -1.572 1.127 1.00 73.15 H new ATOM 0 HD2 TYR A 21 -8.296 -4.085 -0.558 1.00 24.21 H new ATOM 0 HE1 TYR A 21 -11.683 -0.557 -1.075 1.00 72.24 H new ATOM 0 HE2 TYR A 21 -8.681 -3.069 -2.762 1.00 63.45 H new ATOM 0 HH TYR A 21 -9.834 -1.601 -3.944 1.00 21.31 H new ATOM 355 N ASP A 22 -9.067 -2.669 5.159 1.00 1.40 N ATOM 356 CA ASP A 22 -8.951 -3.187 6.516 1.00 53.54 C ATOM 357 C ASP A 22 -9.928 -4.329 6.765 1.00 11.42 C ATOM 358 O ASP A 22 -10.993 -4.129 7.352 1.00 0.15 O ATOM 359 CB ASP A 22 -9.196 -2.075 7.540 1.00 30.34 C ATOM 360 CG ASP A 22 -7.968 -1.763 8.363 1.00 54.42 C ATOM 361 OD1 ASP A 22 -7.686 -2.506 9.328 1.00 73.31 O ATOM 362 OD2 ASP A 22 -7.277 -0.769 8.055 1.00 25.23 O ATOM 0 H ASP A 22 -9.534 -1.764 5.095 1.00 1.40 H new ATOM 0 HA ASP A 22 -7.937 -3.569 6.630 1.00 53.54 H new ATOM 0 HB2 ASP A 22 -9.520 -1.173 7.021 1.00 30.34 H new ATOM 0 HB3 ASP A 22 -10.009 -2.370 8.204 1.00 30.34 H new ATOM 367 N ALA A 23 -9.580 -5.516 6.286 1.00 71.52 N ATOM 368 CA ALA A 23 -10.367 -6.718 6.535 1.00 73.53 C ATOM 369 C ALA A 23 -9.613 -7.959 6.095 1.00 2.32 C ATOM 370 O ALA A 23 -8.931 -7.938 5.074 1.00 60.41 O ATOM 371 CB ALA A 23 -11.688 -6.651 5.811 1.00 10.11 C ATOM 0 H ALA A 23 -8.749 -5.673 5.717 1.00 71.52 H new ATOM 0 HA ALA A 23 -10.550 -6.776 7.608 1.00 73.53 H new ATOM 0 HB1 ALA A 23 -12.259 -7.558 6.011 1.00 10.11 H new ATOM 0 HB2 ALA A 23 -12.250 -5.784 6.159 1.00 10.11 H new ATOM 0 HB3 ALA A 23 -11.511 -6.562 4.739 1.00 10.11 H new ATOM 377 N PRO A 24 -9.714 -9.047 6.876 1.00 32.15 N ATOM 378 CA PRO A 24 -8.989 -10.298 6.609 1.00 50.21 C ATOM 379 C PRO A 24 -9.266 -10.871 5.223 1.00 71.22 C ATOM 380 O PRO A 24 -10.237 -11.603 5.018 1.00 42.41 O ATOM 381 CB PRO A 24 -9.491 -11.259 7.692 1.00 62.44 C ATOM 382 CG PRO A 24 -9.957 -10.374 8.792 1.00 13.41 C ATOM 383 CD PRO A 24 -10.530 -9.139 8.101 1.00 71.30 C ATOM 0 HA PRO A 24 -7.912 -10.135 6.631 1.00 50.21 H new ATOM 0 HB2 PRO A 24 -10.300 -11.888 7.320 1.00 62.44 H new ATOM 0 HB3 PRO A 24 -8.697 -11.926 8.029 1.00 62.44 H new ATOM 0 HG2 PRO A 24 -10.712 -10.869 9.402 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -9.135 -10.107 9.457 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -11.590 -9.257 7.874 1.00 71.30 H new ATOM 0 HD3 PRO A 24 -10.434 -8.247 8.720 1.00 71.30 H new ATOM 391 N LEU A 25 -8.425 -10.502 4.270 1.00 54.32 N ATOM 392 CA LEU A 25 -8.485 -11.075 2.936 1.00 74.40 C ATOM 393 C LEU A 25 -7.447 -12.180 2.810 1.00 32.32 C ATOM 394 O LEU A 25 -7.485 -12.978 1.870 1.00 62.44 O ATOM 395 CB LEU A 25 -8.338 -9.996 1.826 1.00 35.23 C ATOM 396 CG LEU A 25 -6.989 -9.243 1.659 1.00 11.33 C ATOM 397 CD1 LEU A 25 -6.492 -8.626 2.956 1.00 32.20 C ATOM 398 CD2 LEU A 25 -5.918 -10.132 1.041 1.00 4.23 C ATOM 0 H LEU A 25 -7.691 -9.806 4.397 1.00 54.32 H new ATOM 0 HA LEU A 25 -9.473 -11.512 2.789 1.00 74.40 H new ATOM 0 HB2 LEU A 25 -8.563 -10.476 0.874 1.00 35.23 H new ATOM 0 HB3 LEU A 25 -9.111 -9.246 1.996 1.00 35.23 H new ATOM 0 HG LEU A 25 -7.190 -8.422 0.971 1.00 11.33 H new ATOM 0 HD11 LEU A 25 -5.547 -8.114 2.777 1.00 32.20 H new ATOM 0 HD12 LEU A 25 -7.228 -7.911 3.324 1.00 32.20 H new ATOM 0 HD13 LEU A 25 -6.345 -9.410 3.699 1.00 32.20 H new ATOM 0 HD21 LEU A 25 -4.990 -9.568 0.941 1.00 4.23 H new ATOM 0 HD22 LEU A 25 -5.749 -10.998 1.682 1.00 4.23 H new ATOM 0 HD23 LEU A 25 -6.247 -10.467 0.057 1.00 4.23 H new ATOM 410 N CYS A 26 -6.534 -12.218 3.781 1.00 20.20 N ATOM 411 CA CYS A 26 -5.521 -13.265 3.877 1.00 73.45 C ATOM 412 C CYS A 26 -4.497 -13.161 2.747 1.00 44.21 C ATOM 413 O CYS A 26 -3.459 -12.513 2.926 1.00 72.00 O ATOM 414 CB CYS A 26 -6.168 -14.658 3.903 1.00 3.13 C ATOM 415 SG CYS A 26 -5.011 -16.008 4.230 1.00 44.12 S ATOM 0 H CYS A 26 -6.477 -11.521 4.524 1.00 20.20 H new ATOM 0 HA CYS A 26 -4.990 -13.120 4.818 1.00 73.45 H new ATOM 0 HB2 CYS A 26 -6.947 -14.670 4.665 1.00 3.13 H new ATOM 0 HB3 CYS A 26 -6.656 -14.837 2.945 1.00 3.13 H new ATOM 0 HG CYS A 26 -5.653 -17.138 4.234 1.00 44.12 H new ATOM 421 N PHE A 27 -4.807 -13.774 1.591 1.00 70.35 N ATOM 422 CA PHE A 27 -3.894 -13.824 0.439 1.00 73.44 C ATOM 423 C PHE A 27 -4.336 -14.877 -0.582 1.00 72.01 C ATOM 424 O PHE A 27 -3.864 -14.861 -1.717 1.00 42.11 O ATOM 425 CB PHE A 27 -2.455 -14.110 0.896 1.00 33.34 C ATOM 426 CG PHE A 27 -1.493 -14.492 -0.200 1.00 35.31 C ATOM 427 CD1 PHE A 27 -1.017 -13.542 -1.092 1.00 32.54 C ATOM 428 CD2 PHE A 27 -1.066 -15.805 -0.337 1.00 64.43 C ATOM 429 CE1 PHE A 27 -0.135 -13.898 -2.096 1.00 12.20 C ATOM 430 CE2 PHE A 27 -0.187 -16.163 -1.339 1.00 34.34 C ATOM 431 CZ PHE A 27 0.281 -15.208 -2.219 1.00 0.40 C ATOM 0 H PHE A 27 -5.696 -14.247 1.431 1.00 70.35 H new ATOM 0 HA PHE A 27 -3.926 -12.847 -0.043 1.00 73.44 H new ATOM 0 HB2 PHE A 27 -2.070 -13.225 1.402 1.00 33.34 H new ATOM 0 HB3 PHE A 27 -2.478 -14.913 1.632 1.00 33.34 H new ATOM 0 HD1 PHE A 27 -1.338 -12.515 -1.002 1.00 32.54 H new ATOM 0 HD2 PHE A 27 -1.426 -16.557 0.350 1.00 64.43 H new ATOM 0 HE1 PHE A 27 0.229 -13.150 -2.785 1.00 12.20 H new ATOM 0 HE2 PHE A 27 0.134 -17.190 -1.435 1.00 34.34 H new ATOM 0 HZ PHE A 27 0.971 -15.485 -3.002 1.00 0.40 H new ATOM 441 N ALA A 28 -5.263 -15.751 -0.179 1.00 25.51 N ATOM 442 CA ALA A 28 -5.676 -16.916 -0.980 1.00 32.15 C ATOM 443 C ALA A 28 -5.716 -16.639 -2.486 1.00 53.30 C ATOM 444 O ALA A 28 -5.080 -17.346 -3.266 1.00 23.43 O ATOM 445 CB ALA A 28 -7.029 -17.419 -0.500 1.00 55.35 C ATOM 0 H ALA A 28 -5.751 -15.674 0.713 1.00 25.51 H new ATOM 0 HA ALA A 28 -4.916 -17.683 -0.832 1.00 32.15 H new ATOM 0 HB1 ALA A 28 -7.329 -18.281 -1.096 1.00 55.35 H new ATOM 0 HB2 ALA A 28 -6.958 -17.710 0.548 1.00 55.35 H new ATOM 0 HB3 ALA A 28 -7.771 -16.627 -0.607 1.00 55.35 H new ATOM 451 N ASN A 29 -6.452 -15.615 -2.896 1.00 31.12 N ATOM 452 CA ASN A 29 -6.483 -15.237 -4.311 1.00 55.24 C ATOM 453 C ASN A 29 -6.039 -13.786 -4.480 1.00 53.31 C ATOM 454 O ASN A 29 -6.301 -13.155 -5.501 1.00 74.32 O ATOM 455 CB ASN A 29 -7.879 -15.457 -4.926 1.00 62.33 C ATOM 456 CG ASN A 29 -8.885 -14.340 -4.655 1.00 52.24 C ATOM 457 OD1 ASN A 29 -9.676 -13.993 -5.530 1.00 13.22 O ATOM 458 ND2 ASN A 29 -8.904 -13.801 -3.448 1.00 3.25 N ATOM 0 H ASN A 29 -7.028 -15.037 -2.284 1.00 31.12 H new ATOM 0 HA ASN A 29 -5.786 -15.882 -4.846 1.00 55.24 H new ATOM 0 HB2 ASN A 29 -7.770 -15.575 -6.004 1.00 62.33 H new ATOM 0 HB3 ASN A 29 -8.285 -16.393 -4.543 1.00 62.33 H new ATOM 0 HD21 ASN A 29 -9.587 -13.078 -3.223 1.00 3.25 H new ATOM 0 HD22 ASN A 29 -8.236 -14.109 -2.742 1.00 3.25 H new ATOM 465 N ALA A 30 -5.302 -13.294 -3.494 1.00 52.52 N ATOM 466 CA ALA A 30 -4.961 -11.879 -3.414 1.00 4.13 C ATOM 467 C ALA A 30 -3.771 -11.504 -4.287 1.00 74.12 C ATOM 468 O ALA A 30 -3.340 -10.357 -4.277 1.00 64.40 O ATOM 469 CB ALA A 30 -4.688 -11.483 -1.976 1.00 75.10 C ATOM 0 H ALA A 30 -4.926 -13.858 -2.732 1.00 52.52 H new ATOM 0 HA ALA A 30 -5.823 -11.330 -3.793 1.00 4.13 H new ATOM 0 HB1 ALA A 30 -4.435 -10.424 -1.932 1.00 75.10 H new ATOM 0 HB2 ALA A 30 -5.576 -11.669 -1.372 1.00 75.10 H new ATOM 0 HB3 ALA A 30 -3.856 -12.071 -1.588 1.00 75.10 H new ATOM 475 N GLU A 31 -3.238 -12.454 -5.034 1.00 42.10 N ATOM 476 CA GLU A 31 -2.151 -12.156 -5.961 1.00 32.43 C ATOM 477 C GLU A 31 -2.695 -11.336 -7.127 1.00 14.52 C ATOM 478 O GLU A 31 -2.507 -10.102 -7.197 1.00 32.32 O ATOM 479 CB GLU A 31 -1.521 -13.467 -6.449 1.00 71.31 C ATOM 480 CG GLU A 31 -0.275 -13.306 -7.317 1.00 11.42 C ATOM 481 CD GLU A 31 -0.575 -13.014 -8.776 1.00 74.05 C ATOM 482 OE1 GLU A 31 -1.046 -13.934 -9.486 1.00 2.35 O ATOM 483 OE2 GLU A 31 -0.319 -11.879 -9.222 1.00 75.41 O ATOM 0 H GLU A 31 -3.533 -13.430 -5.021 1.00 42.10 H new ATOM 0 HA GLU A 31 -1.378 -11.573 -5.461 1.00 32.43 H new ATOM 0 HB2 GLU A 31 -1.263 -14.073 -5.580 1.00 71.31 H new ATOM 0 HB3 GLU A 31 -2.269 -14.022 -7.015 1.00 71.31 H new ATOM 0 HG2 GLU A 31 0.335 -12.498 -6.913 1.00 11.42 H new ATOM 0 HG3 GLU A 31 0.320 -14.217 -7.254 1.00 11.42 H new ATOM 490 N ASP A 32 -3.405 -12.024 -8.015 1.00 54.20 N ATOM 491 CA ASP A 32 -4.037 -11.381 -9.147 1.00 32.20 C ATOM 492 C ASP A 32 -4.977 -10.312 -8.645 1.00 52.51 C ATOM 493 O ASP A 32 -4.914 -9.175 -9.090 1.00 70.45 O ATOM 494 CB ASP A 32 -4.795 -12.404 -9.998 1.00 43.20 C ATOM 495 CG ASP A 32 -5.503 -11.766 -11.189 1.00 32.34 C ATOM 496 OD1 ASP A 32 -6.591 -11.185 -11.005 1.00 33.11 O ATOM 497 OD2 ASP A 32 -4.967 -11.832 -12.316 1.00 54.34 O ATOM 0 H ASP A 32 -3.554 -13.032 -7.966 1.00 54.20 H new ATOM 0 HA ASP A 32 -3.271 -10.927 -9.776 1.00 32.20 H new ATOM 0 HB2 ASP A 32 -4.097 -13.161 -10.357 1.00 43.20 H new ATOM 0 HB3 ASP A 32 -5.529 -12.917 -9.376 1.00 43.20 H new ATOM 502 N PHE A 33 -5.805 -10.684 -7.671 1.00 25.52 N ATOM 503 CA PHE A 33 -6.766 -9.772 -7.065 1.00 72.11 C ATOM 504 C PHE A 33 -6.130 -8.429 -6.708 1.00 44.13 C ATOM 505 O PHE A 33 -6.637 -7.377 -7.102 1.00 32.04 O ATOM 506 CB PHE A 33 -7.385 -10.410 -5.813 1.00 33.01 C ATOM 507 CG PHE A 33 -7.978 -9.411 -4.862 1.00 51.02 C ATOM 508 CD1 PHE A 33 -9.036 -8.613 -5.261 1.00 70.54 C ATOM 509 CD2 PHE A 33 -7.452 -9.245 -3.584 1.00 64.20 C ATOM 510 CE1 PHE A 33 -9.569 -7.669 -4.408 1.00 55.04 C ATOM 511 CE2 PHE A 33 -7.979 -8.294 -2.730 1.00 73.23 C ATOM 512 CZ PHE A 33 -9.039 -7.507 -3.144 1.00 4.30 C ATOM 0 H PHE A 33 -5.827 -11.626 -7.281 1.00 25.52 H new ATOM 0 HA PHE A 33 -7.548 -9.583 -7.801 1.00 72.11 H new ATOM 0 HB2 PHE A 33 -8.160 -11.113 -6.119 1.00 33.01 H new ATOM 0 HB3 PHE A 33 -6.620 -10.986 -5.292 1.00 33.01 H new ATOM 0 HD1 PHE A 33 -9.449 -8.731 -6.252 1.00 70.54 H new ATOM 0 HD2 PHE A 33 -6.628 -9.862 -3.258 1.00 64.20 H new ATOM 0 HE1 PHE A 33 -10.400 -7.058 -4.729 1.00 55.04 H new ATOM 0 HE2 PHE A 33 -7.564 -8.166 -1.741 1.00 73.23 H new ATOM 0 HZ PHE A 33 -9.452 -6.765 -2.477 1.00 4.30 H new ATOM 522 N ARG A 34 -5.015 -8.468 -5.978 1.00 73.52 N ATOM 523 CA ARG A 34 -4.383 -7.245 -5.515 1.00 21.53 C ATOM 524 C ARG A 34 -4.006 -6.355 -6.677 1.00 44.44 C ATOM 525 O ARG A 34 -4.539 -5.258 -6.827 1.00 64.52 O ATOM 526 CB ARG A 34 -3.120 -7.519 -4.705 1.00 2.34 C ATOM 527 CG ARG A 34 -2.454 -6.244 -4.219 1.00 2.01 C ATOM 528 CD ARG A 34 -3.001 -5.808 -2.874 1.00 21.12 C ATOM 529 NE ARG A 34 -2.400 -6.579 -1.792 1.00 73.31 N ATOM 530 CZ ARG A 34 -2.801 -6.549 -0.526 1.00 31.03 C ATOM 531 NH1 ARG A 34 -3.887 -5.871 -0.169 1.00 32.23 N ATOM 532 NH2 ARG A 34 -2.121 -7.216 0.382 1.00 64.24 N ATOM 0 H ARG A 34 -4.539 -9.326 -5.700 1.00 73.52 H new ATOM 0 HA ARG A 34 -5.117 -6.750 -4.879 1.00 21.53 H new ATOM 0 HB2 ARG A 34 -3.370 -8.144 -3.848 1.00 2.34 H new ATOM 0 HB3 ARG A 34 -2.415 -8.083 -5.316 1.00 2.34 H new ATOM 0 HG2 ARG A 34 -1.378 -6.401 -4.142 1.00 2.01 H new ATOM 0 HG3 ARG A 34 -2.608 -5.450 -4.950 1.00 2.01 H new ATOM 0 HD2 ARG A 34 -2.803 -4.747 -2.723 1.00 21.12 H new ATOM 0 HD3 ARG A 34 -4.083 -5.935 -2.859 1.00 21.12 H new ATOM 0 HE ARG A 34 -1.614 -7.186 -2.024 1.00 73.31 H new ATOM 0 HH11 ARG A 34 -4.426 -5.364 -0.871 1.00 32.23 H new ATOM 0 HH12 ARG A 34 -4.182 -5.858 0.807 1.00 32.23 H new ATOM 0 HH21 ARG A 34 -1.295 -7.749 0.111 1.00 64.24 H new ATOM 0 HH22 ARG A 34 -2.420 -7.200 1.357 1.00 64.24 H new ATOM 546 N ARG A 35 -3.091 -6.825 -7.513 1.00 14.52 N ATOM 547 CA ARG A 35 -2.551 -5.948 -8.533 1.00 32.20 C ATOM 548 C ARG A 35 -3.541 -5.732 -9.672 1.00 30.04 C ATOM 549 O ARG A 35 -3.399 -4.784 -10.429 1.00 52.32 O ATOM 550 CB ARG A 35 -1.176 -6.423 -9.026 1.00 42.54 C ATOM 551 CG ARG A 35 -1.112 -7.870 -9.469 1.00 34.35 C ATOM 552 CD ARG A 35 -1.376 -8.020 -10.953 1.00 64.21 C ATOM 553 NE ARG A 35 -1.023 -9.352 -11.420 1.00 24.12 N ATOM 554 CZ ARG A 35 -1.904 -10.247 -11.836 1.00 43.43 C ATOM 555 NH1 ARG A 35 -3.186 -9.922 -11.915 1.00 75.31 N ATOM 556 NH2 ARG A 35 -1.507 -11.461 -12.183 1.00 44.15 N ATOM 0 H ARG A 35 -2.719 -7.775 -7.506 1.00 14.52 H new ATOM 0 HA ARG A 35 -2.391 -4.973 -8.073 1.00 32.20 H new ATOM 0 HB2 ARG A 35 -0.869 -5.791 -9.859 1.00 42.54 H new ATOM 0 HB3 ARG A 35 -0.450 -6.272 -8.227 1.00 42.54 H new ATOM 0 HG2 ARG A 35 -0.130 -8.279 -9.232 1.00 34.35 H new ATOM 0 HG3 ARG A 35 -1.843 -8.453 -8.910 1.00 34.35 H new ATOM 0 HD2 ARG A 35 -2.429 -7.827 -11.159 1.00 64.21 H new ATOM 0 HD3 ARG A 35 -0.802 -7.275 -11.504 1.00 64.21 H new ATOM 0 HE ARG A 35 -0.037 -9.611 -11.427 1.00 24.12 H new ATOM 0 HH11 ARG A 35 -3.491 -8.984 -11.655 1.00 75.31 H new ATOM 0 HH12 ARG A 35 -3.868 -10.610 -12.235 1.00 75.31 H new ATOM 0 HH21 ARG A 35 -0.519 -11.709 -12.130 1.00 44.15 H new ATOM 0 HH22 ARG A 35 -2.189 -12.149 -12.503 1.00 44.15 H new ATOM 570 N ARG A 36 -4.560 -6.582 -9.764 1.00 2.42 N ATOM 571 CA ARG A 36 -5.638 -6.384 -10.733 1.00 55.23 C ATOM 572 C ARG A 36 -6.495 -5.192 -10.323 1.00 21.10 C ATOM 573 O ARG A 36 -6.538 -4.172 -11.017 1.00 1.33 O ATOM 574 CB ARG A 36 -6.520 -7.636 -10.822 1.00 44.51 C ATOM 575 CG ARG A 36 -7.591 -7.583 -11.901 1.00 50.24 C ATOM 576 CD ARG A 36 -6.990 -7.708 -13.290 1.00 54.42 C ATOM 577 NE ARG A 36 -6.260 -8.966 -13.464 1.00 70.02 N ATOM 578 CZ ARG A 36 -5.386 -9.186 -14.446 1.00 53.30 C ATOM 579 NH1 ARG A 36 -5.113 -8.223 -15.323 1.00 1.14 N ATOM 580 NH2 ARG A 36 -4.779 -10.364 -14.543 1.00 31.14 N ATOM 0 H ARG A 36 -4.663 -7.413 -9.182 1.00 2.42 H new ATOM 0 HA ARG A 36 -5.191 -6.195 -11.709 1.00 55.23 H new ATOM 0 HB2 ARG A 36 -5.882 -8.501 -11.004 1.00 44.51 H new ATOM 0 HB3 ARG A 36 -7.003 -7.793 -9.857 1.00 44.51 H new ATOM 0 HG2 ARG A 36 -8.310 -8.387 -11.741 1.00 50.24 H new ATOM 0 HG3 ARG A 36 -8.140 -6.644 -11.824 1.00 50.24 H new ATOM 0 HD2 ARG A 36 -7.783 -7.644 -14.035 1.00 54.42 H new ATOM 0 HD3 ARG A 36 -6.316 -6.870 -13.469 1.00 54.42 H new ATOM 0 HE ARG A 36 -6.430 -9.717 -12.795 1.00 70.02 H new ATOM 0 HH11 ARG A 36 -5.573 -7.316 -15.244 1.00 1.14 H new ATOM 0 HH12 ARG A 36 -4.444 -8.392 -16.074 1.00 1.14 H new ATOM 0 HH21 ARG A 36 -4.982 -11.100 -13.866 1.00 31.14 H new ATOM 0 HH22 ARG A 36 -4.110 -10.533 -15.294 1.00 31.14 H new ATOM 594 N ALA A 37 -7.148 -5.316 -9.167 1.00 41.52 N ATOM 595 CA ALA A 37 -8.075 -4.298 -8.699 1.00 44.25 C ATOM 596 C ALA A 37 -7.378 -2.956 -8.536 1.00 35.23 C ATOM 597 O ALA A 37 -7.900 -1.919 -8.938 1.00 70.11 O ATOM 598 CB ALA A 37 -8.705 -4.729 -7.383 1.00 21.45 C ATOM 0 H ALA A 37 -7.048 -6.115 -8.540 1.00 41.52 H new ATOM 0 HA ALA A 37 -8.859 -4.182 -9.447 1.00 44.25 H new ATOM 0 HB1 ALA A 37 -9.397 -3.959 -7.042 1.00 21.45 H new ATOM 0 HB2 ALA A 37 -9.245 -5.665 -7.527 1.00 21.45 H new ATOM 0 HB3 ALA A 37 -7.925 -4.872 -6.636 1.00 21.45 H new ATOM 604 N LEU A 38 -6.180 -2.987 -7.971 1.00 12.34 N ATOM 605 CA LEU A 38 -5.434 -1.766 -7.703 1.00 54.41 C ATOM 606 C LEU A 38 -4.949 -1.101 -8.991 1.00 63.44 C ATOM 607 O LEU A 38 -5.071 0.115 -9.149 1.00 65.21 O ATOM 608 CB LEU A 38 -4.253 -2.044 -6.769 1.00 1.54 C ATOM 609 CG LEU A 38 -4.565 -2.008 -5.266 1.00 1.05 C ATOM 610 CD1 LEU A 38 -5.637 -3.020 -4.894 1.00 31.10 C ATOM 611 CD2 LEU A 38 -3.298 -2.259 -4.463 1.00 40.40 C ATOM 0 H LEU A 38 -5.704 -3.844 -7.689 1.00 12.34 H new ATOM 0 HA LEU A 38 -6.116 -1.073 -7.210 1.00 54.41 H new ATOM 0 HB2 LEU A 38 -3.845 -3.025 -7.012 1.00 1.54 H new ATOM 0 HB3 LEU A 38 -3.471 -1.313 -6.976 1.00 1.54 H new ATOM 0 HG LEU A 38 -4.949 -1.017 -5.027 1.00 1.05 H new ATOM 0 HD11 LEU A 38 -5.832 -2.966 -3.823 1.00 31.10 H new ATOM 0 HD12 LEU A 38 -6.553 -2.797 -5.441 1.00 31.10 H new ATOM 0 HD13 LEU A 38 -5.296 -4.023 -5.151 1.00 31.10 H new ATOM 0 HD21 LEU A 38 -3.530 -2.231 -3.398 1.00 40.40 H new ATOM 0 HD22 LEU A 38 -2.892 -3.237 -4.720 1.00 40.40 H new ATOM 0 HD23 LEU A 38 -2.562 -1.489 -4.694 1.00 40.40 H new ATOM 623 N THR A 39 -4.424 -1.882 -9.929 1.00 61.34 N ATOM 624 CA THR A 39 -3.870 -1.294 -11.137 1.00 73.12 C ATOM 625 C THR A 39 -4.961 -0.623 -11.960 1.00 13.20 C ATOM 626 O THR A 39 -4.706 0.366 -12.648 1.00 11.43 O ATOM 627 CB THR A 39 -3.108 -2.321 -12.009 1.00 33.54 C ATOM 628 OG1 THR A 39 -2.230 -1.631 -12.905 1.00 2.45 O ATOM 629 CG2 THR A 39 -4.059 -3.197 -12.815 1.00 64.51 C ATOM 0 H THR A 39 -4.372 -2.899 -9.878 1.00 61.34 H new ATOM 0 HA THR A 39 -3.148 -0.545 -10.812 1.00 73.12 H new ATOM 0 HB THR A 39 -2.539 -2.966 -11.340 1.00 33.54 H new ATOM 0 HG1 THR A 39 -1.747 -2.282 -13.456 1.00 2.45 H new ATOM 0 HG21 THR A 39 -3.484 -3.904 -13.413 1.00 64.51 H new ATOM 0 HG22 THR A 39 -4.713 -3.744 -12.136 1.00 64.51 H new ATOM 0 HG23 THR A 39 -4.661 -2.571 -13.473 1.00 64.51 H new ATOM 637 N VAL A 40 -6.185 -1.133 -11.864 1.00 21.01 N ATOM 638 CA VAL A 40 -7.265 -0.624 -12.687 1.00 70.14 C ATOM 639 C VAL A 40 -8.043 0.498 -11.988 1.00 61.13 C ATOM 640 O VAL A 40 -8.730 1.281 -12.645 1.00 43.51 O ATOM 641 CB VAL A 40 -8.208 -1.760 -13.130 1.00 44.32 C ATOM 642 CG1 VAL A 40 -9.037 -2.274 -11.964 1.00 61.12 C ATOM 643 CG2 VAL A 40 -9.088 -1.311 -14.283 1.00 4.44 C ATOM 0 H VAL A 40 -6.447 -1.889 -11.231 1.00 21.01 H new ATOM 0 HA VAL A 40 -6.811 -0.192 -13.579 1.00 70.14 H new ATOM 0 HB VAL A 40 -7.595 -2.590 -13.482 1.00 44.32 H new ATOM 0 HG11 VAL A 40 -9.692 -3.074 -12.308 1.00 61.12 H new ATOM 0 HG12 VAL A 40 -8.375 -2.656 -11.187 1.00 61.12 H new ATOM 0 HG13 VAL A 40 -9.640 -1.461 -11.560 1.00 61.12 H new ATOM 0 HG21 VAL A 40 -9.745 -2.129 -14.579 1.00 4.44 H new ATOM 0 HG22 VAL A 40 -9.689 -0.457 -13.971 1.00 4.44 H new ATOM 0 HG23 VAL A 40 -8.462 -1.024 -15.128 1.00 4.44 H new ATOM 653 N VAL A 41 -7.939 0.589 -10.660 1.00 61.54 N ATOM 654 CA VAL A 41 -8.407 1.790 -9.963 1.00 52.43 C ATOM 655 C VAL A 41 -7.335 2.863 -10.095 1.00 35.43 C ATOM 656 O VAL A 41 -7.509 4.006 -9.662 1.00 74.11 O ATOM 657 CB VAL A 41 -8.742 1.549 -8.469 1.00 0.41 C ATOM 658 CG1 VAL A 41 -9.846 0.513 -8.329 1.00 44.00 C ATOM 659 CG2 VAL A 41 -7.508 1.135 -7.682 1.00 70.33 C ATOM 0 H VAL A 41 -7.545 -0.134 -10.058 1.00 61.54 H new ATOM 0 HA VAL A 41 -9.342 2.103 -10.428 1.00 52.43 H new ATOM 0 HB VAL A 41 -9.098 2.491 -8.051 1.00 0.41 H new ATOM 0 HG11 VAL A 41 -10.067 0.357 -7.273 1.00 44.00 H new ATOM 0 HG12 VAL A 41 -10.742 0.865 -8.839 1.00 44.00 H new ATOM 0 HG13 VAL A 41 -9.521 -0.427 -8.774 1.00 44.00 H new ATOM 0 HG21 VAL A 41 -7.779 0.974 -6.639 1.00 70.33 H new ATOM 0 HG22 VAL A 41 -7.104 0.212 -8.098 1.00 70.33 H new ATOM 0 HG23 VAL A 41 -6.756 1.921 -7.744 1.00 70.33 H new ATOM 669 N ASP A 42 -6.215 2.420 -10.680 1.00 14.20 N ATOM 670 CA ASP A 42 -5.110 3.261 -11.140 1.00 31.42 C ATOM 671 C ASP A 42 -3.990 3.309 -10.127 1.00 40.00 C ATOM 672 O ASP A 42 -3.929 4.188 -9.272 1.00 25.12 O ATOM 673 CB ASP A 42 -5.546 4.671 -11.558 1.00 0.24 C ATOM 674 CG ASP A 42 -6.253 4.675 -12.894 1.00 51.42 C ATOM 675 OD1 ASP A 42 -5.582 4.472 -13.927 1.00 51.32 O ATOM 676 OD2 ASP A 42 -7.487 4.865 -12.924 1.00 5.12 O ATOM 0 H ASP A 42 -6.050 1.428 -10.851 1.00 14.20 H new ATOM 0 HA ASP A 42 -4.731 2.784 -12.044 1.00 31.42 H new ATOM 0 HB2 ASP A 42 -6.207 5.086 -10.797 1.00 0.24 H new ATOM 0 HB3 ASP A 42 -4.672 5.320 -11.609 1.00 0.24 H new ATOM 681 N GLN A 43 -3.118 2.314 -10.216 1.00 32.23 N ATOM 682 CA GLN A 43 -1.897 2.292 -9.437 1.00 20.34 C ATOM 683 C GLN A 43 -0.699 2.276 -10.381 1.00 44.11 C ATOM 684 O GLN A 43 0.336 2.865 -10.092 1.00 34.05 O ATOM 685 CB GLN A 43 -1.853 1.076 -8.498 1.00 71.02 C ATOM 686 CG GLN A 43 -1.401 -0.218 -9.163 1.00 72.44 C ATOM 687 CD GLN A 43 -1.231 -1.361 -8.181 1.00 1.01 C ATOM 688 OE1 GLN A 43 -0.944 -1.155 -7.002 1.00 62.12 O ATOM 689 NE2 GLN A 43 -1.390 -2.583 -8.667 1.00 10.33 N ATOM 0 H GLN A 43 -3.240 1.506 -10.827 1.00 32.23 H new ATOM 0 HA GLN A 43 -1.864 3.187 -8.816 1.00 20.34 H new ATOM 0 HB2 GLN A 43 -1.182 1.297 -7.668 1.00 71.02 H new ATOM 0 HB3 GLN A 43 -2.845 0.924 -8.073 1.00 71.02 H new ATOM 0 HG2 GLN A 43 -2.129 -0.504 -9.922 1.00 72.44 H new ATOM 0 HG3 GLN A 43 -0.456 -0.045 -9.678 1.00 72.44 H new ATOM 0 HE21 GLN A 43 -1.628 -2.714 -9.650 1.00 10.33 H new ATOM 0 HE22 GLN A 43 -1.275 -3.393 -8.058 1.00 10.33 H new ATOM 698 N ASP A 44 -0.858 1.620 -11.530 1.00 5.21 N ATOM 699 CA ASP A 44 0.234 1.498 -12.485 1.00 23.23 C ATOM 700 C ASP A 44 -0.241 1.666 -13.927 1.00 25.54 C ATOM 701 O ASP A 44 -0.463 0.687 -14.645 1.00 61.45 O ATOM 702 CB ASP A 44 0.947 0.152 -12.328 1.00 44.20 C ATOM 703 CG ASP A 44 2.099 -0.004 -13.310 1.00 60.51 C ATOM 704 OD1 ASP A 44 2.673 1.024 -13.727 1.00 70.31 O ATOM 705 OD2 ASP A 44 2.415 -1.155 -13.685 1.00 73.22 O ATOM 0 H ASP A 44 -1.727 1.169 -11.817 1.00 5.21 H new ATOM 0 HA ASP A 44 0.934 2.304 -12.267 1.00 23.23 H new ATOM 0 HB2 ASP A 44 1.324 0.059 -11.310 1.00 44.20 H new ATOM 0 HB3 ASP A 44 0.231 -0.656 -12.478 1.00 44.20 H new ATOM 710 N PRO A 45 -0.466 2.914 -14.353 1.00 23.43 N ATOM 711 CA PRO A 45 -0.638 3.247 -15.762 1.00 52.22 C ATOM 712 C PRO A 45 0.694 3.622 -16.417 1.00 31.33 C ATOM 713 O PRO A 45 0.722 4.278 -17.459 1.00 24.33 O ATOM 714 CB PRO A 45 -1.570 4.455 -15.705 1.00 74.43 C ATOM 715 CG PRO A 45 -1.188 5.163 -14.448 1.00 60.13 C ATOM 716 CD PRO A 45 -0.646 4.093 -13.492 1.00 32.42 C ATOM 0 HA PRO A 45 -1.026 2.418 -16.353 1.00 52.22 H new ATOM 0 HB2 PRO A 45 -1.442 5.097 -16.577 1.00 74.43 H new ATOM 0 HB3 PRO A 45 -2.616 4.149 -15.686 1.00 74.43 H new ATOM 0 HG2 PRO A 45 -0.433 5.924 -14.646 1.00 60.13 H new ATOM 0 HG3 PRO A 45 -2.048 5.672 -14.013 1.00 60.13 H new ATOM 0 HD2 PRO A 45 0.294 4.403 -13.036 1.00 32.42 H new ATOM 0 HD3 PRO A 45 -1.344 3.892 -12.679 1.00 32.42 H new ATOM 724 N GLY A 46 1.795 3.207 -15.795 1.00 5.21 N ATOM 725 CA GLY A 46 3.115 3.548 -16.290 1.00 20.51 C ATOM 726 C GLY A 46 3.766 4.643 -15.467 1.00 4.12 C ATOM 727 O GLY A 46 4.817 4.441 -14.861 1.00 73.25 O ATOM 0 H GLY A 46 1.794 2.636 -14.950 1.00 5.21 H new ATOM 0 HA2 GLY A 46 3.747 2.660 -16.277 1.00 20.51 H new ATOM 0 HA3 GLY A 46 3.040 3.871 -17.328 1.00 20.51 H new ATOM 731 N GLN A 47 3.137 5.808 -15.450 1.00 44.53 N ATOM 732 CA GLN A 47 3.609 6.920 -14.640 1.00 4.32 C ATOM 733 C GLN A 47 2.431 7.735 -14.124 1.00 23.51 C ATOM 734 O GLN A 47 1.662 8.299 -14.904 1.00 55.22 O ATOM 735 CB GLN A 47 4.564 7.815 -15.435 1.00 41.44 C ATOM 736 CG GLN A 47 5.089 9.000 -14.639 1.00 70.41 C ATOM 737 CD GLN A 47 6.043 9.869 -15.433 1.00 71.40 C ATOM 738 OE1 GLN A 47 6.774 9.385 -16.296 1.00 14.02 O ATOM 739 NE2 GLN A 47 6.033 11.163 -15.157 1.00 12.55 N ATOM 0 H GLN A 47 2.295 6.008 -15.990 1.00 44.53 H new ATOM 0 HA GLN A 47 4.156 6.511 -13.791 1.00 4.32 H new ATOM 0 HB2 GLN A 47 5.407 7.217 -15.780 1.00 41.44 H new ATOM 0 HB3 GLN A 47 4.050 8.183 -16.323 1.00 41.44 H new ATOM 0 HG2 GLN A 47 4.248 9.606 -14.303 1.00 70.41 H new ATOM 0 HG3 GLN A 47 5.596 8.635 -13.746 1.00 70.41 H new ATOM 0 HE21 GLN A 47 5.412 11.525 -14.434 1.00 12.55 H new ATOM 0 HE22 GLN A 47 6.646 11.798 -15.668 1.00 12.55 H new ATOM 748 N VAL A 48 2.291 7.782 -12.810 1.00 12.51 N ATOM 749 CA VAL A 48 1.202 8.500 -12.175 1.00 21.20 C ATOM 750 C VAL A 48 1.665 9.025 -10.817 1.00 65.44 C ATOM 751 O VAL A 48 2.658 8.542 -10.273 1.00 21.54 O ATOM 752 CB VAL A 48 -0.043 7.587 -12.012 1.00 63.13 C ATOM 753 CG1 VAL A 48 0.245 6.435 -11.060 1.00 20.22 C ATOM 754 CG2 VAL A 48 -1.259 8.382 -11.558 1.00 52.41 C ATOM 0 H VAL A 48 2.927 7.325 -12.157 1.00 12.51 H new ATOM 0 HA VAL A 48 0.916 9.341 -12.807 1.00 21.20 H new ATOM 0 HB VAL A 48 -0.273 7.165 -12.990 1.00 63.13 H new ATOM 0 HG11 VAL A 48 -0.644 5.811 -10.964 1.00 20.22 H new ATOM 0 HG12 VAL A 48 1.068 5.837 -11.451 1.00 20.22 H new ATOM 0 HG13 VAL A 48 0.518 6.831 -10.082 1.00 20.22 H new ATOM 0 HG21 VAL A 48 -2.113 7.713 -11.454 1.00 52.41 H new ATOM 0 HG22 VAL A 48 -1.048 8.853 -10.598 1.00 52.41 H new ATOM 0 HG23 VAL A 48 -1.488 9.150 -12.297 1.00 52.41 H new ATOM 764 N GLU A 49 0.978 10.032 -10.303 1.00 4.21 N ATOM 765 CA GLU A 49 1.289 10.590 -8.996 1.00 34.41 C ATOM 766 C GLU A 49 0.411 9.915 -7.948 1.00 34.02 C ATOM 767 O GLU A 49 -0.794 10.173 -7.872 1.00 60.55 O ATOM 768 CB GLU A 49 1.054 12.099 -9.023 1.00 43.35 C ATOM 769 CG GLU A 49 1.575 12.832 -7.801 1.00 63.45 C ATOM 770 CD GLU A 49 1.563 14.334 -7.988 1.00 32.53 C ATOM 771 OE1 GLU A 49 2.303 14.830 -8.865 1.00 11.34 O ATOM 772 OE2 GLU A 49 0.836 15.032 -7.254 1.00 51.22 O ATOM 0 H GLU A 49 0.195 10.483 -10.775 1.00 4.21 H new ATOM 0 HA GLU A 49 2.334 10.411 -8.743 1.00 34.41 H new ATOM 0 HB2 GLU A 49 1.530 12.514 -9.912 1.00 43.35 H new ATOM 0 HB3 GLU A 49 -0.016 12.287 -9.117 1.00 43.35 H new ATOM 0 HG2 GLU A 49 0.966 12.570 -6.935 1.00 63.45 H new ATOM 0 HG3 GLU A 49 2.592 12.502 -7.587 1.00 63.45 H new ATOM 779 N TRP A 50 0.997 9.034 -7.154 1.00 64.33 N ATOM 780 CA TRP A 50 0.199 8.199 -6.276 1.00 44.25 C ATOM 781 C TRP A 50 0.956 7.780 -5.034 1.00 42.52 C ATOM 782 O TRP A 50 2.150 8.053 -4.885 1.00 52.42 O ATOM 783 CB TRP A 50 -0.290 6.954 -7.031 1.00 72.33 C ATOM 784 CG TRP A 50 0.781 5.989 -7.459 1.00 15.52 C ATOM 785 CD1 TRP A 50 1.840 6.237 -8.283 1.00 20.51 C ATOM 786 CD2 TRP A 50 0.866 4.601 -7.109 1.00 12.14 C ATOM 787 NE1 TRP A 50 2.581 5.093 -8.460 1.00 54.52 N ATOM 788 CE2 TRP A 50 2.005 4.075 -7.746 1.00 3.52 C ATOM 789 CE3 TRP A 50 0.092 3.753 -6.311 1.00 60.43 C ATOM 790 CZ2 TRP A 50 2.388 2.743 -7.614 1.00 73.43 C ATOM 791 CZ3 TRP A 50 0.473 2.430 -6.180 1.00 25.21 C ATOM 792 CH2 TRP A 50 1.612 1.937 -6.826 1.00 14.21 C ATOM 0 H TRP A 50 2.004 8.881 -7.100 1.00 64.33 H new ATOM 0 HA TRP A 50 -0.654 8.796 -5.954 1.00 44.25 H new ATOM 0 HB2 TRP A 50 -1.000 6.423 -6.397 1.00 72.33 H new ATOM 0 HB3 TRP A 50 -0.835 7.280 -7.917 1.00 72.33 H new ATOM 0 HD1 TRP A 50 2.064 7.194 -8.731 1.00 20.51 H new ATOM 0 HE1 TRP A 50 3.423 5.014 -9.030 1.00 54.52 H new ATOM 0 HE3 TRP A 50 -0.787 4.124 -5.806 1.00 60.43 H new ATOM 0 HZ2 TRP A 50 3.265 2.360 -8.115 1.00 73.43 H new ATOM 0 HZ3 TRP A 50 -0.119 1.766 -5.568 1.00 25.21 H new ATOM 0 HH2 TRP A 50 1.884 0.899 -6.700 1.00 14.21 H new ATOM 803 N PHE A 51 0.236 7.144 -4.125 1.00 15.00 N ATOM 804 CA PHE A 51 0.848 6.510 -2.987 1.00 5.30 C ATOM 805 C PHE A 51 -0.147 5.610 -2.273 1.00 24.41 C ATOM 806 O PHE A 51 -1.369 5.748 -2.426 1.00 14.44 O ATOM 807 CB PHE A 51 1.466 7.539 -2.036 1.00 73.31 C ATOM 808 CG PHE A 51 0.520 8.493 -1.363 1.00 42.42 C ATOM 809 CD1 PHE A 51 -0.187 8.106 -0.237 1.00 32.44 C ATOM 810 CD2 PHE A 51 0.395 9.797 -1.813 1.00 73.01 C ATOM 811 CE1 PHE A 51 -0.995 8.996 0.429 1.00 21.01 C ATOM 812 CE2 PHE A 51 -0.425 10.693 -1.157 1.00 43.45 C ATOM 813 CZ PHE A 51 -1.117 10.294 -0.032 1.00 43.43 C ATOM 0 H PHE A 51 -0.780 7.057 -4.161 1.00 15.00 H new ATOM 0 HA PHE A 51 1.663 5.883 -3.349 1.00 5.30 H new ATOM 0 HB2 PHE A 51 2.013 7.001 -1.262 1.00 73.31 H new ATOM 0 HB3 PHE A 51 2.197 8.123 -2.596 1.00 73.31 H new ATOM 0 HD1 PHE A 51 -0.102 7.091 0.123 1.00 32.44 H new ATOM 0 HD2 PHE A 51 0.945 10.116 -2.686 1.00 73.01 H new ATOM 0 HE1 PHE A 51 -1.534 8.682 1.311 1.00 21.01 H new ATOM 0 HE2 PHE A 51 -0.525 11.704 -1.524 1.00 43.45 H new ATOM 0 HZ PHE A 51 -1.753 10.995 0.488 1.00 43.43 H new ATOM 823 N VAL A 52 0.384 4.666 -1.517 1.00 51.15 N ATOM 824 CA VAL A 52 -0.449 3.713 -0.808 1.00 71.04 C ATOM 825 C VAL A 52 -0.276 3.872 0.689 1.00 42.20 C ATOM 826 O VAL A 52 0.753 4.362 1.160 1.00 65.34 O ATOM 827 CB VAL A 52 -0.132 2.248 -1.211 1.00 13.34 C ATOM 828 CG1 VAL A 52 0.042 2.128 -2.715 1.00 40.32 C ATOM 829 CG2 VAL A 52 1.100 1.721 -0.497 1.00 1.45 C ATOM 0 H VAL A 52 1.387 4.539 -1.379 1.00 51.15 H new ATOM 0 HA VAL A 52 -1.482 3.924 -1.085 1.00 71.04 H new ATOM 0 HB VAL A 52 -0.982 1.638 -0.904 1.00 13.34 H new ATOM 0 HG11 VAL A 52 0.263 1.093 -2.974 1.00 40.32 H new ATOM 0 HG12 VAL A 52 -0.876 2.438 -3.213 1.00 40.32 H new ATOM 0 HG13 VAL A 52 0.864 2.767 -3.038 1.00 40.32 H new ATOM 0 HG21 VAL A 52 1.288 0.693 -0.806 1.00 1.45 H new ATOM 0 HG22 VAL A 52 1.961 2.340 -0.752 1.00 1.45 H new ATOM 0 HG23 VAL A 52 0.937 1.752 0.580 1.00 1.45 H new ATOM 839 N LEU A 53 -1.289 3.473 1.432 1.00 22.32 N ATOM 840 CA LEU A 53 -1.228 3.529 2.875 1.00 11.53 C ATOM 841 C LEU A 53 -2.215 2.551 3.487 1.00 13.15 C ATOM 842 O LEU A 53 -3.259 2.259 2.903 1.00 54.33 O ATOM 843 CB LEU A 53 -1.432 4.974 3.410 1.00 43.45 C ATOM 844 CG LEU A 53 -2.786 5.690 3.175 1.00 0.21 C ATOM 845 CD1 LEU A 53 -3.211 5.668 1.716 1.00 54.41 C ATOM 846 CD2 LEU A 53 -3.876 5.129 4.074 1.00 43.13 C ATOM 0 H LEU A 53 -2.164 3.106 1.058 1.00 22.32 H new ATOM 0 HA LEU A 53 -0.226 3.229 3.181 1.00 11.53 H new ATOM 0 HB2 LEU A 53 -1.256 4.952 4.486 1.00 43.45 H new ATOM 0 HB3 LEU A 53 -0.652 5.598 2.972 1.00 43.45 H new ATOM 0 HG LEU A 53 -2.634 6.735 3.443 1.00 0.21 H new ATOM 0 HD11 LEU A 53 -4.166 6.183 1.607 1.00 54.41 H new ATOM 0 HD12 LEU A 53 -2.457 6.170 1.110 1.00 54.41 H new ATOM 0 HD13 LEU A 53 -3.316 4.635 1.383 1.00 54.41 H new ATOM 0 HD21 LEU A 53 -4.812 5.654 3.883 1.00 43.13 H new ATOM 0 HD22 LEU A 53 -4.007 4.067 3.867 1.00 43.13 H new ATOM 0 HD23 LEU A 53 -3.592 5.263 5.118 1.00 43.13 H new ATOM 858 N ASN A 54 -1.859 2.006 4.631 1.00 75.15 N ATOM 859 CA ASN A 54 -2.766 1.129 5.359 1.00 14.35 C ATOM 860 C ASN A 54 -3.789 1.972 6.113 1.00 4.42 C ATOM 861 O ASN A 54 -3.419 2.829 6.913 1.00 35.20 O ATOM 862 CB ASN A 54 -1.994 0.209 6.310 1.00 0.42 C ATOM 863 CG ASN A 54 -1.128 -0.797 5.569 1.00 65.23 C ATOM 864 OD1 ASN A 54 -0.650 -0.537 4.464 1.00 64.34 O ATOM 865 ND2 ASN A 54 -0.927 -1.956 6.168 1.00 23.34 N ATOM 0 H ASN A 54 -0.954 2.150 5.079 1.00 75.15 H new ATOM 0 HA ASN A 54 -3.292 0.490 4.649 1.00 14.35 H new ATOM 0 HB2 ASN A 54 -1.365 0.813 6.964 1.00 0.42 H new ATOM 0 HB3 ASN A 54 -2.699 -0.323 6.948 1.00 0.42 H new ATOM 0 HD21 ASN A 54 -0.359 -2.672 5.715 1.00 23.34 H new ATOM 0 HD22 ASN A 54 -1.339 -2.135 7.084 1.00 23.34 H new ATOM 872 N ALA A 55 -5.070 1.714 5.847 1.00 4.34 N ATOM 873 CA ALA A 55 -6.161 2.586 6.285 1.00 61.02 C ATOM 874 C ALA A 55 -6.207 2.775 7.800 1.00 12.32 C ATOM 875 O ALA A 55 -5.742 3.790 8.321 1.00 4.34 O ATOM 876 CB ALA A 55 -7.490 2.047 5.779 1.00 33.43 C ATOM 0 H ALA A 55 -5.380 0.896 5.323 1.00 4.34 H new ATOM 0 HA ALA A 55 -5.972 3.570 5.856 1.00 61.02 H new ATOM 0 HB1 ALA A 55 -8.297 2.701 6.109 1.00 33.43 H new ATOM 0 HB2 ALA A 55 -7.476 2.009 4.690 1.00 33.43 H new ATOM 0 HB3 ALA A 55 -7.651 1.044 6.175 1.00 33.43 H new ATOM 882 N GLU A 56 -6.758 1.804 8.508 1.00 41.35 N ATOM 883 CA GLU A 56 -6.946 1.931 9.944 1.00 13.44 C ATOM 884 C GLU A 56 -5.960 1.048 10.694 1.00 4.23 C ATOM 885 O GLU A 56 -5.406 1.442 11.721 1.00 4.25 O ATOM 886 CB GLU A 56 -8.376 1.555 10.327 1.00 70.34 C ATOM 887 CG GLU A 56 -8.689 1.787 11.795 1.00 52.13 C ATOM 888 CD GLU A 56 -10.070 1.319 12.182 1.00 60.05 C ATOM 889 OE1 GLU A 56 -11.053 2.016 11.852 1.00 55.10 O ATOM 890 OE2 GLU A 56 -10.179 0.259 12.838 1.00 32.00 O ATOM 0 H GLU A 56 -7.082 0.921 8.114 1.00 41.35 H new ATOM 0 HA GLU A 56 -6.766 2.970 10.221 1.00 13.44 H new ATOM 0 HB2 GLU A 56 -9.071 2.134 9.719 1.00 70.34 H new ATOM 0 HB3 GLU A 56 -8.544 0.505 10.089 1.00 70.34 H new ATOM 0 HG2 GLU A 56 -7.950 1.267 12.405 1.00 52.13 H new ATOM 0 HG3 GLU A 56 -8.595 2.850 12.018 1.00 52.13 H new ATOM 897 N SER A 57 -5.755 -0.154 10.190 1.00 45.33 N ATOM 898 CA SER A 57 -4.816 -1.079 10.793 1.00 50.50 C ATOM 899 C SER A 57 -4.222 -2.005 9.742 1.00 41.12 C ATOM 900 O SER A 57 -3.042 -1.904 9.423 1.00 53.21 O ATOM 901 CB SER A 57 -5.505 -1.891 11.894 1.00 2.50 C ATOM 902 OG SER A 57 -5.984 -1.043 12.924 1.00 23.32 O ATOM 0 H SER A 57 -6.229 -0.513 9.361 1.00 45.33 H new ATOM 0 HA SER A 57 -4.004 -0.504 11.238 1.00 50.50 H new ATOM 0 HB2 SER A 57 -6.334 -2.457 11.469 1.00 2.50 H new ATOM 0 HB3 SER A 57 -4.804 -2.615 12.310 1.00 2.50 H new ATOM 0 HG SER A 57 -6.421 -1.583 13.615 1.00 23.32 H new ATOM 908 N ASN A 58 -5.060 -2.888 9.197 1.00 52.43 N ATOM 909 CA ASN A 58 -4.635 -3.909 8.230 1.00 33.53 C ATOM 910 C ASN A 58 -3.708 -4.947 8.860 1.00 74.14 C ATOM 911 O ASN A 58 -3.319 -5.915 8.212 1.00 14.05 O ATOM 912 CB ASN A 58 -3.953 -3.277 7.009 1.00 70.31 C ATOM 913 CG ASN A 58 -4.941 -2.742 5.993 1.00 13.33 C ATOM 914 OD1 ASN A 58 -5.343 -3.446 5.073 1.00 3.32 O ATOM 915 ND2 ASN A 58 -5.336 -1.489 6.147 1.00 73.11 N ATOM 0 H ASN A 58 -6.057 -2.918 9.413 1.00 52.43 H new ATOM 0 HA ASN A 58 -5.542 -4.418 7.903 1.00 33.53 H new ATOM 0 HB2 ASN A 58 -3.305 -2.465 7.341 1.00 70.31 H new ATOM 0 HB3 ASN A 58 -3.314 -4.020 6.531 1.00 70.31 H new ATOM 0 HD21 ASN A 58 -5.997 -1.078 5.488 1.00 73.11 H new ATOM 0 HD22 ASN A 58 -4.980 -0.934 6.925 1.00 73.11 H new ATOM 922 N VAL A 59 -3.404 -4.777 10.139 1.00 20.44 N ATOM 923 CA VAL A 59 -2.400 -5.595 10.804 1.00 22.24 C ATOM 924 C VAL A 59 -2.887 -7.022 11.056 1.00 53.01 C ATOM 925 O VAL A 59 -2.086 -7.921 11.292 1.00 44.15 O ATOM 926 CB VAL A 59 -1.957 -4.961 12.137 1.00 64.12 C ATOM 927 CG1 VAL A 59 -1.410 -3.567 11.897 1.00 53.21 C ATOM 928 CG2 VAL A 59 -3.104 -4.919 13.133 1.00 1.21 C ATOM 0 H VAL A 59 -3.840 -4.077 10.739 1.00 20.44 H new ATOM 0 HA VAL A 59 -1.548 -5.642 10.126 1.00 22.24 H new ATOM 0 HB VAL A 59 -1.168 -5.581 12.563 1.00 64.12 H new ATOM 0 HG11 VAL A 59 -1.100 -3.129 12.846 1.00 53.21 H new ATOM 0 HG12 VAL A 59 -0.553 -3.623 11.226 1.00 53.21 H new ATOM 0 HG13 VAL A 59 -2.183 -2.945 11.446 1.00 53.21 H new ATOM 0 HG21 VAL A 59 -2.761 -4.467 14.064 1.00 1.21 H new ATOM 0 HG22 VAL A 59 -3.922 -4.327 12.721 1.00 1.21 H new ATOM 0 HG23 VAL A 59 -3.453 -5.933 13.329 1.00 1.21 H new ATOM 938 N GLU A 60 -4.199 -7.226 11.009 1.00 72.45 N ATOM 939 CA GLU A 60 -4.770 -8.544 11.254 1.00 61.42 C ATOM 940 C GLU A 60 -5.481 -9.042 10.015 1.00 13.32 C ATOM 941 O GLU A 60 -5.956 -10.177 9.958 1.00 50.00 O ATOM 942 CB GLU A 60 -5.762 -8.489 12.412 1.00 52.30 C ATOM 943 CG GLU A 60 -5.141 -8.028 13.716 1.00 43.20 C ATOM 944 CD GLU A 60 -6.067 -8.185 14.899 1.00 13.50 C ATOM 945 OE1 GLU A 60 -6.107 -9.288 15.478 1.00 34.11 O ATOM 946 OE2 GLU A 60 -6.744 -7.203 15.268 1.00 53.42 O ATOM 0 H GLU A 60 -4.884 -6.499 10.804 1.00 72.45 H new ATOM 0 HA GLU A 60 -3.958 -9.225 11.508 1.00 61.42 H new ATOM 0 HB2 GLU A 60 -6.579 -7.816 12.149 1.00 52.30 H new ATOM 0 HB3 GLU A 60 -6.197 -9.478 12.555 1.00 52.30 H new ATOM 0 HG2 GLU A 60 -4.229 -8.596 13.898 1.00 43.20 H new ATOM 0 HG3 GLU A 60 -4.852 -6.981 13.624 1.00 43.20 H new ATOM 953 N VAL A 61 -5.537 -8.185 9.019 1.00 71.20 N ATOM 954 CA VAL A 61 -6.367 -8.426 7.857 1.00 13.33 C ATOM 955 C VAL A 61 -5.551 -9.051 6.738 1.00 62.23 C ATOM 956 O VAL A 61 -6.065 -9.807 5.900 1.00 15.44 O ATOM 957 CB VAL A 61 -7.007 -7.105 7.377 1.00 12.03 C ATOM 958 CG1 VAL A 61 -7.417 -6.248 8.570 1.00 23.40 C ATOM 959 CG2 VAL A 61 -6.090 -6.329 6.440 1.00 13.41 C ATOM 0 H VAL A 61 -5.014 -7.310 8.990 1.00 71.20 H new ATOM 0 HA VAL A 61 -7.159 -9.121 8.136 1.00 13.33 H new ATOM 0 HB VAL A 61 -7.899 -7.363 6.806 1.00 12.03 H new ATOM 0 HG11 VAL A 61 -7.866 -5.321 8.215 1.00 23.40 H new ATOM 0 HG12 VAL A 61 -8.140 -6.792 9.177 1.00 23.40 H new ATOM 0 HG13 VAL A 61 -6.538 -6.018 9.172 1.00 23.40 H new ATOM 0 HG21 VAL A 61 -6.583 -5.408 6.129 1.00 13.41 H new ATOM 0 HG22 VAL A 61 -5.162 -6.087 6.957 1.00 13.41 H new ATOM 0 HG23 VAL A 61 -5.868 -6.936 5.562 1.00 13.41 H new ATOM 969 N ASP A 62 -4.268 -8.759 6.767 1.00 11.02 N ATOM 970 CA ASP A 62 -3.366 -9.140 5.709 1.00 32.15 C ATOM 971 C ASP A 62 -2.364 -10.152 6.246 1.00 54.00 C ATOM 972 O ASP A 62 -1.736 -9.922 7.280 1.00 31.54 O ATOM 973 CB ASP A 62 -2.680 -7.874 5.199 1.00 72.20 C ATOM 974 CG ASP A 62 -1.937 -8.082 3.901 1.00 41.44 C ATOM 975 OD1 ASP A 62 -1.001 -8.908 3.866 1.00 22.04 O ATOM 976 OD2 ASP A 62 -2.299 -7.420 2.903 1.00 73.01 O ATOM 0 H ASP A 62 -3.823 -8.249 7.530 1.00 11.02 H new ATOM 0 HA ASP A 62 -3.896 -9.611 4.881 1.00 32.15 H new ATOM 0 HB2 ASP A 62 -3.428 -7.094 5.061 1.00 72.20 H new ATOM 0 HB3 ASP A 62 -1.982 -7.516 5.956 1.00 72.20 H new ATOM 981 N LEU A 63 -2.248 -11.293 5.574 1.00 43.22 N ATOM 982 CA LEU A 63 -1.463 -12.401 6.105 1.00 15.40 C ATOM 983 C LEU A 63 -0.200 -12.640 5.283 1.00 51.32 C ATOM 984 O LEU A 63 0.904 -12.391 5.751 1.00 3.32 O ATOM 985 CB LEU A 63 -2.313 -13.678 6.168 1.00 21.42 C ATOM 986 CG LEU A 63 -3.312 -13.758 7.336 1.00 41.40 C ATOM 987 CD1 LEU A 63 -4.385 -12.682 7.235 1.00 11.21 C ATOM 988 CD2 LEU A 63 -3.960 -15.130 7.381 1.00 62.52 C ATOM 0 H LEU A 63 -2.683 -11.474 4.669 1.00 43.22 H new ATOM 0 HA LEU A 63 -1.153 -12.133 7.115 1.00 15.40 H new ATOM 0 HB2 LEU A 63 -2.867 -13.770 5.234 1.00 21.42 H new ATOM 0 HB3 LEU A 63 -1.643 -14.536 6.228 1.00 21.42 H new ATOM 0 HG LEU A 63 -2.754 -13.590 8.257 1.00 41.40 H new ATOM 0 HD11 LEU A 63 -5.071 -12.772 8.077 1.00 11.21 H new ATOM 0 HD12 LEU A 63 -3.916 -11.698 7.252 1.00 11.21 H new ATOM 0 HD13 LEU A 63 -4.937 -12.805 6.303 1.00 11.21 H new ATOM 0 HD21 LEU A 63 -4.664 -15.173 8.212 1.00 62.52 H new ATOM 0 HD22 LEU A 63 -4.490 -15.313 6.446 1.00 62.52 H new ATOM 0 HD23 LEU A 63 -3.192 -15.891 7.517 1.00 62.52 H new ATOM 1000 N THR A 64 -0.358 -13.152 4.073 1.00 22.23 N ATOM 1001 CA THR A 64 0.774 -13.344 3.169 1.00 52.31 C ATOM 1002 C THR A 64 0.636 -12.371 2.001 1.00 15.42 C ATOM 1003 O THR A 64 1.404 -12.365 1.021 1.00 64.55 O ATOM 1004 CB THR A 64 0.821 -14.795 2.652 1.00 51.30 C ATOM 1005 OG1 THR A 64 0.557 -15.701 3.735 1.00 52.42 O ATOM 1006 CG2 THR A 64 2.178 -15.119 2.042 1.00 23.04 C ATOM 0 H THR A 64 -1.258 -13.443 3.690 1.00 22.23 H new ATOM 0 HA THR A 64 1.703 -13.152 3.706 1.00 52.31 H new ATOM 0 HB THR A 64 0.061 -14.905 1.879 1.00 51.30 H new ATOM 0 HG1 THR A 64 0.585 -16.623 3.404 1.00 52.42 H new ATOM 0 HG21 THR A 64 2.180 -16.149 1.686 1.00 23.04 H new ATOM 0 HG22 THR A 64 2.371 -14.446 1.206 1.00 23.04 H new ATOM 0 HG23 THR A 64 2.955 -14.994 2.796 1.00 23.04 H new ATOM 1014 N ALA A 65 -0.348 -11.512 2.138 1.00 24.31 N ATOM 1015 CA ALA A 65 -0.698 -10.602 1.087 1.00 31.24 C ATOM 1016 C ALA A 65 0.288 -9.447 1.014 1.00 15.04 C ATOM 1017 O ALA A 65 0.304 -8.716 0.025 1.00 53.13 O ATOM 1018 CB ALA A 65 -2.115 -10.114 1.285 1.00 34.44 C ATOM 0 H ALA A 65 -0.921 -11.429 2.978 1.00 24.31 H new ATOM 0 HA ALA A 65 -0.646 -11.126 0.132 1.00 31.24 H new ATOM 0 HB1 ALA A 65 -2.377 -9.423 0.484 1.00 34.44 H new ATOM 0 HB2 ALA A 65 -2.798 -10.963 1.269 1.00 34.44 H new ATOM 0 HB3 ALA A 65 -2.193 -9.604 2.245 1.00 34.44 H new ATOM 1024 N LEU A 66 1.103 -9.263 2.059 1.00 11.33 N ATOM 1025 CA LEU A 66 2.204 -8.314 1.964 1.00 63.24 C ATOM 1026 C LEU A 66 3.290 -8.858 1.071 1.00 32.25 C ATOM 1027 O LEU A 66 4.012 -8.094 0.464 1.00 23.05 O ATOM 1028 CB LEU A 66 2.792 -7.848 3.320 1.00 60.04 C ATOM 1029 CG LEU A 66 3.498 -8.866 4.251 1.00 55.51 C ATOM 1030 CD1 LEU A 66 2.559 -9.988 4.653 1.00 63.25 C ATOM 1031 CD2 LEU A 66 4.771 -9.427 3.625 1.00 54.03 C ATOM 0 H LEU A 66 1.021 -9.746 2.954 1.00 11.33 H new ATOM 0 HA LEU A 66 1.770 -7.416 1.525 1.00 63.24 H new ATOM 0 HB2 LEU A 66 3.507 -7.054 3.107 1.00 60.04 H new ATOM 0 HB3 LEU A 66 1.978 -7.399 3.889 1.00 60.04 H new ATOM 0 HG LEU A 66 3.787 -8.323 5.151 1.00 55.51 H new ATOM 0 HD11 LEU A 66 3.084 -10.685 5.306 1.00 63.25 H new ATOM 0 HD12 LEU A 66 1.701 -9.573 5.181 1.00 63.25 H new ATOM 0 HD13 LEU A 66 2.217 -10.513 3.761 1.00 63.25 H new ATOM 0 HD21 LEU A 66 5.233 -10.136 4.312 1.00 54.03 H new ATOM 0 HD22 LEU A 66 4.525 -9.934 2.692 1.00 54.03 H new ATOM 0 HD23 LEU A 66 5.467 -8.612 3.423 1.00 54.03 H new ATOM 1043 N ASP A 67 3.414 -10.176 0.995 1.00 35.33 N ATOM 1044 CA ASP A 67 4.354 -10.766 0.061 1.00 32.41 C ATOM 1045 C ASP A 67 3.903 -10.397 -1.333 1.00 73.24 C ATOM 1046 O ASP A 67 4.670 -9.853 -2.134 1.00 21.13 O ATOM 1047 CB ASP A 67 4.426 -12.288 0.219 1.00 53.55 C ATOM 1048 CG ASP A 67 5.421 -12.925 -0.737 1.00 13.22 C ATOM 1049 OD1 ASP A 67 5.034 -13.253 -1.875 1.00 62.40 O ATOM 1050 OD2 ASP A 67 6.594 -13.100 -0.349 1.00 54.32 O ATOM 0 H ASP A 67 2.886 -10.843 1.558 1.00 35.33 H new ATOM 0 HA ASP A 67 5.356 -10.384 0.257 1.00 32.41 H new ATOM 0 HB2 ASP A 67 4.705 -12.531 1.244 1.00 53.55 H new ATOM 0 HB3 ASP A 67 3.438 -12.715 0.048 1.00 53.55 H new ATOM 1055 N ALA A 68 2.619 -10.640 -1.589 1.00 63.32 N ATOM 1056 CA ALA A 68 2.008 -10.243 -2.855 1.00 22.44 C ATOM 1057 C ALA A 68 2.177 -8.739 -3.100 1.00 5.13 C ATOM 1058 O ALA A 68 2.736 -8.316 -4.125 1.00 62.13 O ATOM 1059 CB ALA A 68 0.532 -10.610 -2.868 1.00 22.11 C ATOM 0 H ALA A 68 1.985 -11.107 -0.941 1.00 63.32 H new ATOM 0 HA ALA A 68 2.515 -10.780 -3.657 1.00 22.44 H new ATOM 0 HB1 ALA A 68 0.090 -10.308 -3.818 1.00 22.11 H new ATOM 0 HB2 ALA A 68 0.424 -11.688 -2.744 1.00 22.11 H new ATOM 0 HB3 ALA A 68 0.023 -10.098 -2.052 1.00 22.11 H new ATOM 1065 N LEU A 69 1.722 -7.932 -2.142 1.00 62.42 N ATOM 1066 CA LEU A 69 1.716 -6.488 -2.314 1.00 51.43 C ATOM 1067 C LEU A 69 3.128 -5.944 -2.377 1.00 2.11 C ATOM 1068 O LEU A 69 3.350 -4.941 -3.019 1.00 15.41 O ATOM 1069 CB LEU A 69 0.887 -5.767 -1.221 1.00 42.40 C ATOM 1070 CG LEU A 69 1.494 -5.677 0.192 1.00 2.33 C ATOM 1071 CD1 LEU A 69 2.509 -4.547 0.302 1.00 33.34 C ATOM 1072 CD2 LEU A 69 0.400 -5.482 1.227 1.00 61.01 C ATOM 0 H LEU A 69 1.356 -8.255 -1.246 1.00 62.42 H new ATOM 0 HA LEU A 69 1.227 -6.283 -3.266 1.00 51.43 H new ATOM 0 HB2 LEU A 69 0.687 -4.753 -1.566 1.00 42.40 H new ATOM 0 HB3 LEU A 69 -0.076 -6.272 -1.141 1.00 42.40 H new ATOM 0 HG LEU A 69 2.013 -6.617 0.381 1.00 2.33 H new ATOM 0 HD11 LEU A 69 2.913 -4.518 1.314 1.00 33.34 H new ATOM 0 HD12 LEU A 69 3.319 -4.715 -0.408 1.00 33.34 H new ATOM 0 HD13 LEU A 69 2.022 -3.598 0.078 1.00 33.34 H new ATOM 0 HD21 LEU A 69 0.845 -5.420 2.220 1.00 61.01 H new ATOM 0 HD22 LEU A 69 -0.142 -4.560 1.014 1.00 61.01 H new ATOM 0 HD23 LEU A 69 -0.290 -6.325 1.190 1.00 61.01 H new ATOM 1084 N ASP A 70 4.075 -6.597 -1.715 1.00 72.05 N ATOM 1085 CA ASP A 70 5.457 -6.128 -1.713 1.00 55.24 C ATOM 1086 C ASP A 70 6.001 -6.146 -3.117 1.00 44.34 C ATOM 1087 O ASP A 70 6.445 -5.120 -3.627 1.00 44.24 O ATOM 1088 CB ASP A 70 6.357 -6.992 -0.839 1.00 24.13 C ATOM 1089 CG ASP A 70 7.615 -6.259 -0.427 1.00 51.12 C ATOM 1090 OD1 ASP A 70 8.578 -6.231 -1.214 1.00 1.33 O ATOM 1091 OD2 ASP A 70 7.627 -5.674 0.681 1.00 35.34 O ATOM 0 H ASP A 70 3.914 -7.448 -1.176 1.00 72.05 H new ATOM 0 HA ASP A 70 5.451 -5.116 -1.308 1.00 55.24 H new ATOM 0 HB2 ASP A 70 5.809 -7.302 0.051 1.00 24.13 H new ATOM 0 HB3 ASP A 70 6.626 -7.899 -1.380 1.00 24.13 H new ATOM 1096 N GLN A 71 5.932 -7.321 -3.740 1.00 65.40 N ATOM 1097 CA GLN A 71 6.400 -7.492 -5.109 1.00 2.33 C ATOM 1098 C GLN A 71 5.841 -6.402 -6.001 1.00 2.41 C ATOM 1099 O GLN A 71 6.588 -5.689 -6.665 1.00 53.12 O ATOM 1100 CB GLN A 71 5.969 -8.844 -5.658 1.00 10.44 C ATOM 1101 CG GLN A 71 6.419 -10.020 -4.823 1.00 23.24 C ATOM 1102 CD GLN A 71 5.572 -11.234 -5.098 1.00 71.43 C ATOM 1103 OE1 GLN A 71 5.892 -12.056 -5.958 1.00 61.53 O ATOM 1104 NE2 GLN A 71 4.461 -11.324 -4.394 1.00 71.23 N ATOM 0 H GLN A 71 5.555 -8.169 -3.315 1.00 65.40 H new ATOM 0 HA GLN A 71 7.488 -7.434 -5.098 1.00 2.33 H new ATOM 0 HB2 GLN A 71 4.882 -8.863 -5.737 1.00 10.44 H new ATOM 0 HB3 GLN A 71 6.364 -8.957 -6.668 1.00 10.44 H new ATOM 0 HG2 GLN A 71 7.464 -10.245 -5.039 1.00 23.24 H new ATOM 0 HG3 GLN A 71 6.360 -9.763 -3.765 1.00 23.24 H new ATOM 0 HE21 GLN A 71 4.243 -10.616 -3.693 1.00 71.23 H new ATOM 0 HE22 GLN A 71 3.820 -12.102 -4.550 1.00 71.23 H new ATOM 1113 N LEU A 72 4.523 -6.255 -5.998 1.00 64.33 N ATOM 1114 CA LEU A 72 3.892 -5.296 -6.891 1.00 35.11 C ATOM 1115 C LEU A 72 4.137 -3.850 -6.451 1.00 61.21 C ATOM 1116 O LEU A 72 4.478 -3.014 -7.269 1.00 32.03 O ATOM 1117 CB LEU A 72 2.395 -5.596 -7.058 1.00 42.45 C ATOM 1118 CG LEU A 72 1.569 -5.690 -5.774 1.00 21.40 C ATOM 1119 CD1 LEU A 72 0.904 -4.360 -5.455 1.00 23.24 C ATOM 1120 CD2 LEU A 72 0.532 -6.792 -5.903 1.00 63.33 C ATOM 0 H LEU A 72 3.882 -6.776 -5.400 1.00 64.33 H new ATOM 0 HA LEU A 72 4.362 -5.407 -7.868 1.00 35.11 H new ATOM 0 HB2 LEU A 72 1.960 -4.820 -7.687 1.00 42.45 H new ATOM 0 HB3 LEU A 72 2.294 -6.537 -7.598 1.00 42.45 H new ATOM 0 HG LEU A 72 2.239 -5.933 -4.949 1.00 21.40 H new ATOM 0 HD11 LEU A 72 0.323 -4.454 -4.538 1.00 23.24 H new ATOM 0 HD12 LEU A 72 1.668 -3.594 -5.324 1.00 23.24 H new ATOM 0 HD13 LEU A 72 0.244 -4.077 -6.275 1.00 23.24 H new ATOM 0 HD21 LEU A 72 -0.052 -6.852 -4.984 1.00 63.33 H new ATOM 0 HD22 LEU A 72 -0.131 -6.572 -6.740 1.00 63.33 H new ATOM 0 HD23 LEU A 72 1.033 -7.744 -6.077 1.00 63.33 H new ATOM 1132 N ARG A 73 4.016 -3.551 -5.164 1.00 23.41 N ATOM 1133 CA ARG A 73 4.141 -2.167 -4.719 1.00 44.13 C ATOM 1134 C ARG A 73 5.581 -1.695 -4.845 1.00 23.34 C ATOM 1135 O ARG A 73 5.818 -0.556 -5.190 1.00 22.20 O ATOM 1136 CB ARG A 73 3.615 -1.955 -3.281 1.00 50.44 C ATOM 1137 CG ARG A 73 4.539 -2.450 -2.175 1.00 50.33 C ATOM 1138 CD ARG A 73 5.431 -1.344 -1.620 1.00 53.51 C ATOM 1139 NE ARG A 73 6.827 -1.773 -1.533 1.00 2.13 N ATOM 1140 CZ ARG A 73 7.257 -2.781 -0.768 1.00 64.42 C ATOM 1141 NH1 ARG A 73 6.446 -3.362 0.108 1.00 2.02 N ATOM 1142 NH2 ARG A 73 8.516 -3.187 -0.857 1.00 4.24 N ATOM 0 H ARG A 73 3.836 -4.230 -4.424 1.00 23.41 H new ATOM 0 HA ARG A 73 3.513 -1.563 -5.373 1.00 44.13 H new ATOM 0 HB2 ARG A 73 3.432 -0.891 -3.131 1.00 50.44 H new ATOM 0 HB3 ARG A 73 2.654 -2.461 -3.184 1.00 50.44 H new ATOM 0 HG2 ARG A 73 3.940 -2.869 -1.366 1.00 50.33 H new ATOM 0 HG3 ARG A 73 5.163 -3.256 -2.561 1.00 50.33 H new ATOM 0 HD2 ARG A 73 5.359 -0.463 -2.258 1.00 53.51 H new ATOM 0 HD3 ARG A 73 5.077 -1.052 -0.631 1.00 53.51 H new ATOM 0 HE ARG A 73 7.516 -1.270 -2.092 1.00 2.13 H new ATOM 0 HH11 ARG A 73 5.483 -3.040 0.203 1.00 2.02 H new ATOM 0 HH12 ARG A 73 6.786 -4.130 0.686 1.00 2.02 H new ATOM 0 HH21 ARG A 73 9.154 -2.730 -1.508 1.00 4.24 H new ATOM 0 HH22 ARG A 73 8.846 -3.956 -0.274 1.00 4.24 H new ATOM 1156 N THR A 74 6.544 -2.573 -4.593 1.00 41.43 N ATOM 1157 CA THR A 74 7.941 -2.180 -4.676 1.00 71.45 C ATOM 1158 C THR A 74 8.347 -2.028 -6.136 1.00 32.13 C ATOM 1159 O THR A 74 9.076 -1.109 -6.498 1.00 2.24 O ATOM 1160 CB THR A 74 8.881 -3.183 -3.946 1.00 21.43 C ATOM 1161 OG1 THR A 74 10.121 -2.546 -3.623 1.00 74.00 O ATOM 1162 CG2 THR A 74 9.167 -4.424 -4.785 1.00 43.22 C ATOM 0 H THR A 74 6.386 -3.547 -4.334 1.00 41.43 H new ATOM 0 HA THR A 74 8.047 -1.222 -4.167 1.00 71.45 H new ATOM 0 HB THR A 74 8.366 -3.498 -3.039 1.00 21.43 H new ATOM 0 HG1 THR A 74 9.943 -1.693 -3.175 1.00 74.00 H new ATOM 0 HG21 THR A 74 9.827 -5.093 -4.232 1.00 43.22 H new ATOM 0 HG22 THR A 74 8.231 -4.938 -5.005 1.00 43.22 H new ATOM 0 HG23 THR A 74 9.647 -4.130 -5.718 1.00 43.22 H new ATOM 1170 N GLU A 75 7.819 -2.908 -6.975 1.00 22.40 N ATOM 1171 CA GLU A 75 8.149 -2.924 -8.386 1.00 32.21 C ATOM 1172 C GLU A 75 7.439 -1.784 -9.114 1.00 23.05 C ATOM 1173 O GLU A 75 7.933 -1.259 -10.107 1.00 43.22 O ATOM 1174 CB GLU A 75 7.753 -4.280 -8.980 1.00 40.24 C ATOM 1175 CG GLU A 75 8.265 -4.515 -10.390 1.00 72.12 C ATOM 1176 CD GLU A 75 9.778 -4.497 -10.469 1.00 70.43 C ATOM 1177 OE1 GLU A 75 10.353 -3.405 -10.632 1.00 30.21 O ATOM 1178 OE2 GLU A 75 10.398 -5.575 -10.361 1.00 62.10 O ATOM 0 H GLU A 75 7.152 -3.627 -6.694 1.00 22.40 H new ATOM 0 HA GLU A 75 9.222 -2.780 -8.510 1.00 32.21 H new ATOM 0 HB2 GLU A 75 8.129 -5.072 -8.332 1.00 40.24 H new ATOM 0 HB3 GLU A 75 6.666 -4.360 -8.982 1.00 40.24 H new ATOM 0 HG2 GLU A 75 7.897 -5.475 -10.751 1.00 72.12 H new ATOM 0 HG3 GLU A 75 7.861 -3.749 -11.052 1.00 72.12 H new ATOM 1185 N LEU A 76 6.285 -1.396 -8.592 1.00 1.12 N ATOM 1186 CA LEU A 76 5.469 -0.360 -9.211 1.00 62.35 C ATOM 1187 C LEU A 76 5.728 1.015 -8.578 1.00 12.30 C ATOM 1188 O LEU A 76 5.375 2.045 -9.152 1.00 63.31 O ATOM 1189 CB LEU A 76 3.978 -0.727 -9.101 1.00 21.53 C ATOM 1190 CG LEU A 76 3.438 -1.756 -10.126 1.00 41.32 C ATOM 1191 CD1 LEU A 76 4.316 -3.001 -10.219 1.00 23.44 C ATOM 1192 CD2 LEU A 76 2.022 -2.167 -9.751 1.00 70.33 C ATOM 0 H LEU A 76 5.890 -1.785 -7.736 1.00 1.12 H new ATOM 0 HA LEU A 76 5.747 -0.297 -10.263 1.00 62.35 H new ATOM 0 HB2 LEU A 76 3.796 -1.117 -8.099 1.00 21.53 H new ATOM 0 HB3 LEU A 76 3.394 0.188 -9.198 1.00 21.53 H new ATOM 0 HG LEU A 76 3.446 -1.270 -11.102 1.00 41.32 H new ATOM 0 HD11 LEU A 76 3.894 -3.690 -10.951 1.00 23.44 H new ATOM 0 HD12 LEU A 76 5.321 -2.715 -10.528 1.00 23.44 H new ATOM 0 HD13 LEU A 76 4.360 -3.488 -9.245 1.00 23.44 H new ATOM 0 HD21 LEU A 76 1.649 -2.890 -10.476 1.00 70.33 H new ATOM 0 HD22 LEU A 76 2.025 -2.617 -8.758 1.00 70.33 H new ATOM 0 HD23 LEU A 76 1.376 -1.289 -9.750 1.00 70.33 H new ATOM 1204 N LEU A 77 6.349 1.036 -7.402 1.00 24.23 N ATOM 1205 CA LEU A 77 6.666 2.301 -6.735 1.00 13.30 C ATOM 1206 C LEU A 77 8.040 2.795 -7.177 1.00 12.52 C ATOM 1207 O LEU A 77 8.274 3.998 -7.286 1.00 32.05 O ATOM 1208 CB LEU A 77 6.613 2.136 -5.207 1.00 40.51 C ATOM 1209 CG LEU A 77 6.411 3.418 -4.395 1.00 64.33 C ATOM 1210 CD1 LEU A 77 5.844 3.082 -3.024 1.00 73.44 C ATOM 1211 CD2 LEU A 77 7.716 4.186 -4.238 1.00 41.12 C ATOM 0 H LEU A 77 6.641 0.202 -6.893 1.00 24.23 H new ATOM 0 HA LEU A 77 5.921 3.043 -7.020 1.00 13.30 H new ATOM 0 HB2 LEU A 77 5.805 1.446 -4.965 1.00 40.51 H new ATOM 0 HB3 LEU A 77 7.541 1.667 -4.881 1.00 40.51 H new ATOM 0 HG LEU A 77 5.707 4.050 -4.936 1.00 64.33 H new ATOM 0 HD11 LEU A 77 5.704 4.000 -2.453 1.00 73.44 H new ATOM 0 HD12 LEU A 77 4.885 2.577 -3.141 1.00 73.44 H new ATOM 0 HD13 LEU A 77 6.536 2.428 -2.494 1.00 73.44 H new ATOM 0 HD21 LEU A 77 7.538 5.091 -3.657 1.00 41.12 H new ATOM 0 HD22 LEU A 77 8.446 3.562 -3.723 1.00 41.12 H new ATOM 0 HD23 LEU A 77 8.100 4.456 -5.222 1.00 41.12 H new ATOM 1223 N ARG A 78 8.930 1.859 -7.482 1.00 62.42 N ATOM 1224 CA ARG A 78 10.286 2.189 -7.928 1.00 34.32 C ATOM 1225 C ARG A 78 10.280 2.756 -9.360 1.00 71.31 C ATOM 1226 O ARG A 78 11.302 2.750 -10.048 1.00 11.45 O ATOM 1227 CB ARG A 78 11.155 0.926 -7.863 1.00 62.15 C ATOM 1228 CG ARG A 78 10.740 -0.134 -8.873 1.00 22.41 C ATOM 1229 CD ARG A 78 11.368 -1.488 -8.580 1.00 63.50 C ATOM 1230 NE ARG A 78 12.797 -1.543 -8.901 1.00 72.01 N ATOM 1231 CZ ARG A 78 13.478 -2.685 -9.034 1.00 52.43 C ATOM 1232 NH1 ARG A 78 12.838 -3.848 -8.995 1.00 4.12 N ATOM 1233 NH2 ARG A 78 14.785 -2.661 -9.259 1.00 51.14 N ATOM 0 H ARG A 78 8.739 0.858 -7.429 1.00 62.42 H new ATOM 0 HA ARG A 78 10.695 2.956 -7.271 1.00 34.32 H new ATOM 0 HB2 ARG A 78 12.196 1.198 -8.038 1.00 62.15 H new ATOM 0 HB3 ARG A 78 11.100 0.505 -6.859 1.00 62.15 H new ATOM 0 HG2 ARG A 78 9.654 -0.231 -8.869 1.00 22.41 H new ATOM 0 HG3 ARG A 78 11.028 0.188 -9.874 1.00 22.41 H new ATOM 0 HD2 ARG A 78 11.230 -1.725 -7.525 1.00 63.50 H new ATOM 0 HD3 ARG A 78 10.844 -2.255 -9.150 1.00 63.50 H new ATOM 0 HE ARG A 78 13.298 -0.664 -9.030 1.00 72.01 H new ATOM 0 HH11 ARG A 78 11.827 -3.869 -8.864 1.00 4.12 H new ATOM 0 HH12 ARG A 78 13.358 -4.720 -9.097 1.00 4.12 H new ATOM 0 HH21 ARG A 78 15.274 -1.769 -9.331 1.00 51.14 H new ATOM 0 HH22 ARG A 78 15.301 -3.535 -9.360 1.00 51.14 H new ATOM 1247 N ARG A 79 9.128 3.268 -9.788 1.00 43.33 N ATOM 1248 CA ARG A 79 8.940 3.722 -11.160 1.00 41.32 C ATOM 1249 C ARG A 79 9.033 5.245 -11.262 1.00 42.54 C ATOM 1250 O ARG A 79 9.794 5.769 -12.075 1.00 1.13 O ATOM 1251 CB ARG A 79 7.575 3.258 -11.682 1.00 70.13 C ATOM 1252 CG ARG A 79 7.338 1.763 -11.530 1.00 34.25 C ATOM 1253 CD ARG A 79 8.212 0.942 -12.464 1.00 43.43 C ATOM 1254 NE ARG A 79 7.585 0.742 -13.771 1.00 45.14 N ATOM 1255 CZ ARG A 79 8.079 -0.056 -14.719 1.00 52.43 C ATOM 1256 NH1 ARG A 79 9.212 -0.715 -14.513 1.00 35.15 N ATOM 1257 NH2 ARG A 79 7.426 -0.202 -15.866 1.00 15.13 N ATOM 0 H ARG A 79 8.305 3.379 -9.196 1.00 43.33 H new ATOM 0 HA ARG A 79 9.735 3.289 -11.767 1.00 41.32 H new ATOM 0 HB2 ARG A 79 6.790 3.797 -11.151 1.00 70.13 H new ATOM 0 HB3 ARG A 79 7.489 3.525 -12.735 1.00 70.13 H new ATOM 0 HG2 ARG A 79 7.536 1.469 -10.499 1.00 34.25 H new ATOM 0 HG3 ARG A 79 6.289 1.542 -11.729 1.00 34.25 H new ATOM 0 HD2 ARG A 79 9.171 1.443 -12.595 1.00 43.43 H new ATOM 0 HD3 ARG A 79 8.418 -0.027 -12.009 1.00 43.43 H new ATOM 0 HE ARG A 79 6.719 1.243 -13.969 1.00 45.14 H new ATOM 0 HH11 ARG A 79 9.708 -0.612 -13.628 1.00 35.15 H new ATOM 0 HH12 ARG A 79 9.587 -1.324 -15.240 1.00 35.15 H new ATOM 0 HH21 ARG A 79 6.549 0.295 -16.020 1.00 15.13 H new ATOM 0 HH22 ARG A 79 7.801 -0.812 -16.593 1.00 15.13 H new ATOM 1271 N GLY A 80 8.264 5.957 -10.437 1.00 24.42 N ATOM 1272 CA GLY A 80 8.215 7.404 -10.545 1.00 23.32 C ATOM 1273 C GLY A 80 7.782 8.088 -9.258 1.00 13.23 C ATOM 1274 O GLY A 80 8.231 7.722 -8.175 1.00 72.35 O ATOM 0 H GLY A 80 7.679 5.559 -9.702 1.00 24.42 H new ATOM 0 HA2 GLY A 80 9.200 7.774 -10.831 1.00 23.32 H new ATOM 0 HA3 GLY A 80 7.526 7.679 -11.344 1.00 23.32 H new ATOM 1278 N ILE A 81 6.896 9.073 -9.383 1.00 64.45 N ATOM 1279 CA ILE A 81 6.454 9.864 -8.238 1.00 72.34 C ATOM 1280 C ILE A 81 5.369 9.134 -7.437 1.00 14.21 C ATOM 1281 O ILE A 81 4.170 9.196 -7.742 1.00 62.15 O ATOM 1282 CB ILE A 81 5.968 11.272 -8.676 1.00 3.02 C ATOM 1283 CG1 ILE A 81 5.414 12.064 -7.485 1.00 32.42 C ATOM 1284 CG2 ILE A 81 4.937 11.185 -9.793 1.00 42.43 C ATOM 1285 CD1 ILE A 81 6.454 12.395 -6.436 1.00 44.12 C ATOM 0 H ILE A 81 6.469 9.343 -10.269 1.00 64.45 H new ATOM 0 HA ILE A 81 7.316 9.997 -7.585 1.00 72.34 H new ATOM 0 HB ILE A 81 6.835 11.807 -9.064 1.00 3.02 H new ATOM 0 HG12 ILE A 81 4.972 12.991 -7.851 1.00 32.42 H new ATOM 0 HG13 ILE A 81 4.612 11.490 -7.020 1.00 32.42 H new ATOM 0 HG21 ILE A 81 4.619 12.189 -10.074 1.00 42.43 H new ATOM 0 HG22 ILE A 81 5.378 10.689 -10.657 1.00 42.43 H new ATOM 0 HG23 ILE A 81 4.074 10.615 -9.448 1.00 42.43 H new ATOM 0 HD11 ILE A 81 5.988 12.955 -5.626 1.00 44.12 H new ATOM 0 HD12 ILE A 81 6.879 11.472 -6.041 1.00 44.12 H new ATOM 0 HD13 ILE A 81 7.245 12.996 -6.885 1.00 44.12 H new ATOM 1297 N VAL A 82 5.812 8.425 -6.418 1.00 71.13 N ATOM 1298 CA VAL A 82 4.918 7.657 -5.574 1.00 22.32 C ATOM 1299 C VAL A 82 5.571 7.373 -4.225 1.00 33.14 C ATOM 1300 O VAL A 82 6.793 7.266 -4.131 1.00 71.41 O ATOM 1301 CB VAL A 82 4.498 6.334 -6.265 1.00 11.13 C ATOM 1302 CG1 VAL A 82 5.693 5.661 -6.911 1.00 73.43 C ATOM 1303 CG2 VAL A 82 3.820 5.385 -5.283 1.00 63.13 C ATOM 0 H VAL A 82 6.795 8.365 -6.153 1.00 71.13 H new ATOM 0 HA VAL A 82 4.018 8.249 -5.407 1.00 22.32 H new ATOM 0 HB VAL A 82 3.777 6.584 -7.043 1.00 11.13 H new ATOM 0 HG11 VAL A 82 5.374 4.735 -7.390 1.00 73.43 H new ATOM 0 HG12 VAL A 82 6.125 6.326 -7.659 1.00 73.43 H new ATOM 0 HG13 VAL A 82 6.440 5.437 -6.150 1.00 73.43 H new ATOM 0 HG21 VAL A 82 3.538 4.467 -5.799 1.00 63.13 H new ATOM 0 HG22 VAL A 82 4.508 5.148 -4.472 1.00 63.13 H new ATOM 0 HG23 VAL A 82 2.928 5.860 -4.875 1.00 63.13 H new ATOM 1313 N PHE A 83 4.754 7.292 -3.184 1.00 61.44 N ATOM 1314 CA PHE A 83 5.237 6.960 -1.849 1.00 54.24 C ATOM 1315 C PHE A 83 4.352 5.878 -1.225 1.00 2.33 C ATOM 1316 O PHE A 83 3.445 5.357 -1.879 1.00 55.42 O ATOM 1317 CB PHE A 83 5.269 8.214 -0.963 1.00 60.44 C ATOM 1318 CG PHE A 83 6.185 9.293 -1.465 1.00 34.13 C ATOM 1319 CD1 PHE A 83 7.539 9.270 -1.163 1.00 43.34 C ATOM 1320 CD2 PHE A 83 5.691 10.335 -2.233 1.00 75.25 C ATOM 1321 CE1 PHE A 83 8.380 10.266 -1.620 1.00 15.12 C ATOM 1322 CE2 PHE A 83 6.527 11.333 -2.692 1.00 4.40 C ATOM 1323 CZ PHE A 83 7.873 11.300 -2.382 1.00 23.11 C ATOM 0 H PHE A 83 3.748 7.452 -3.238 1.00 61.44 H new ATOM 0 HA PHE A 83 6.253 6.574 -1.928 1.00 54.24 H new ATOM 0 HB2 PHE A 83 4.259 8.617 -0.884 1.00 60.44 H new ATOM 0 HB3 PHE A 83 5.578 7.928 0.043 1.00 60.44 H new ATOM 0 HD1 PHE A 83 7.940 8.465 -0.565 1.00 43.34 H new ATOM 0 HD2 PHE A 83 4.639 10.367 -2.476 1.00 75.25 H new ATOM 0 HE1 PHE A 83 9.433 10.236 -1.382 1.00 15.12 H new ATOM 0 HE2 PHE A 83 6.130 12.138 -3.292 1.00 4.40 H new ATOM 0 HZ PHE A 83 8.528 12.082 -2.735 1.00 23.11 H new ATOM 1333 N ALA A 84 4.612 5.529 0.030 1.00 54.23 N ATOM 1334 CA ALA A 84 3.805 4.527 0.721 1.00 70.11 C ATOM 1335 C ALA A 84 4.028 4.578 2.223 1.00 32.34 C ATOM 1336 O ALA A 84 5.162 4.695 2.686 1.00 33.35 O ATOM 1337 CB ALA A 84 4.122 3.139 0.202 1.00 44.10 C ATOM 0 H ALA A 84 5.370 5.922 0.588 1.00 54.23 H new ATOM 0 HA ALA A 84 2.758 4.753 0.522 1.00 70.11 H new ATOM 0 HB1 ALA A 84 3.511 2.405 0.728 1.00 44.10 H new ATOM 0 HB2 ALA A 84 3.906 3.092 -0.865 1.00 44.10 H new ATOM 0 HB3 ALA A 84 5.177 2.920 0.369 1.00 44.10 H new ATOM 1343 N MET A 85 2.945 4.474 2.983 1.00 43.40 N ATOM 1344 CA MET A 85 3.021 4.528 4.438 1.00 45.42 C ATOM 1345 C MET A 85 2.012 3.590 5.094 1.00 32.34 C ATOM 1346 O MET A 85 1.113 3.058 4.444 1.00 34.34 O ATOM 1347 CB MET A 85 2.793 5.950 4.947 1.00 63.24 C ATOM 1348 CG MET A 85 1.571 6.626 4.350 1.00 52.33 C ATOM 1349 SD MET A 85 0.692 7.654 5.541 1.00 42.52 S ATOM 1350 CE MET A 85 -0.111 6.381 6.515 1.00 15.55 C ATOM 0 H MET A 85 2.002 4.352 2.615 1.00 43.40 H new ATOM 0 HA MET A 85 4.025 4.203 4.711 1.00 45.42 H new ATOM 0 HB2 MET A 85 2.689 5.925 6.032 1.00 63.24 H new ATOM 0 HB3 MET A 85 3.674 6.551 4.724 1.00 63.24 H new ATOM 0 HG2 MET A 85 1.878 7.240 3.503 1.00 52.33 H new ATOM 0 HG3 MET A 85 0.893 5.865 3.963 1.00 52.33 H new ATOM 0 HE1 MET A 85 -1.192 6.457 6.394 1.00 15.55 H new ATOM 0 HE2 MET A 85 0.224 5.400 6.178 1.00 15.55 H new ATOM 0 HE3 MET A 85 0.146 6.511 7.566 1.00 15.55 H new ATOM 1360 N ALA A 86 2.166 3.405 6.393 1.00 44.20 N ATOM 1361 CA ALA A 86 1.302 2.521 7.147 1.00 65.32 C ATOM 1362 C ALA A 86 1.202 2.963 8.606 1.00 22.13 C ATOM 1363 O ALA A 86 1.572 4.086 8.963 1.00 62.21 O ATOM 1364 CB ALA A 86 1.815 1.090 7.053 1.00 71.44 C ATOM 0 H ALA A 86 2.889 3.861 6.950 1.00 44.20 H new ATOM 0 HA ALA A 86 0.301 2.567 6.718 1.00 65.32 H new ATOM 0 HB1 ALA A 86 1.160 0.431 7.623 1.00 71.44 H new ATOM 0 HB2 ALA A 86 1.828 0.776 6.009 1.00 71.44 H new ATOM 0 HB3 ALA A 86 2.825 1.038 7.460 1.00 71.44 H new ATOM 1370 N ARG A 87 0.699 2.062 9.435 1.00 74.53 N ATOM 1371 CA ARG A 87 0.478 2.310 10.855 1.00 15.14 C ATOM 1372 C ARG A 87 0.411 0.959 11.549 1.00 63.24 C ATOM 1373 O ARG A 87 -0.367 0.733 12.474 1.00 71.51 O ATOM 1374 CB ARG A 87 -0.829 3.086 11.035 1.00 1.01 C ATOM 1375 CG ARG A 87 -2.059 2.320 10.568 1.00 30.12 C ATOM 1376 CD ARG A 87 -3.248 3.244 10.375 1.00 11.45 C ATOM 1377 NE ARG A 87 -3.394 4.191 11.481 1.00 62.20 N ATOM 1378 CZ ARG A 87 -4.264 5.199 11.497 1.00 22.14 C ATOM 1379 NH1 ARG A 87 -5.129 5.361 10.502 1.00 15.30 N ATOM 1380 NH2 ARG A 87 -4.275 6.039 12.522 1.00 24.43 N ATOM 0 H ARG A 87 0.428 1.124 9.138 1.00 74.53 H new ATOM 0 HA ARG A 87 1.283 2.905 11.286 1.00 15.14 H new ATOM 0 HB2 ARG A 87 -0.948 3.342 12.088 1.00 1.01 H new ATOM 0 HB3 ARG A 87 -0.764 4.024 10.484 1.00 1.01 H new ATOM 0 HG2 ARG A 87 -1.837 1.810 9.631 1.00 30.12 H new ATOM 0 HG3 ARG A 87 -2.309 1.551 11.298 1.00 30.12 H new ATOM 0 HD2 ARG A 87 -3.132 3.793 9.441 1.00 11.45 H new ATOM 0 HD3 ARG A 87 -4.157 2.650 10.284 1.00 11.45 H new ATOM 0 HE ARG A 87 -2.789 4.071 12.294 1.00 62.20 H new ATOM 0 HH11 ARG A 87 -5.131 4.710 9.717 1.00 15.30 H new ATOM 0 HH12 ARG A 87 -5.792 6.136 10.523 1.00 15.30 H new ATOM 0 HH21 ARG A 87 -3.619 5.911 13.293 1.00 24.43 H new ATOM 0 HH22 ARG A 87 -4.939 6.813 12.540 1.00 24.43 H new ATOM 1394 N VAL A 88 1.278 0.074 11.097 1.00 60.14 N ATOM 1395 CA VAL A 88 1.108 -1.350 11.303 1.00 24.24 C ATOM 1396 C VAL A 88 2.088 -1.941 12.311 1.00 0.01 C ATOM 1397 O VAL A 88 2.969 -1.249 12.818 1.00 61.03 O ATOM 1398 CB VAL A 88 1.244 -2.062 9.960 1.00 25.33 C ATOM 1399 CG1 VAL A 88 0.064 -1.705 9.076 1.00 70.44 C ATOM 1400 CG2 VAL A 88 2.539 -1.665 9.273 1.00 34.33 C ATOM 0 H VAL A 88 2.120 0.322 10.577 1.00 60.14 H new ATOM 0 HA VAL A 88 0.115 -1.501 11.726 1.00 24.24 H new ATOM 0 HB VAL A 88 1.260 -3.138 10.133 1.00 25.33 H new ATOM 0 HG11 VAL A 88 0.161 -2.213 8.117 1.00 70.44 H new ATOM 0 HG12 VAL A 88 -0.861 -2.017 9.560 1.00 70.44 H new ATOM 0 HG13 VAL A 88 0.043 -0.627 8.915 1.00 70.44 H new ATOM 0 HG21 VAL A 88 2.618 -2.183 8.317 1.00 34.33 H new ATOM 0 HG22 VAL A 88 2.546 -0.588 9.104 1.00 34.33 H new ATOM 0 HG23 VAL A 88 3.384 -1.938 9.904 1.00 34.33 H new ATOM 1410 N LYS A 89 1.923 -3.240 12.585 1.00 43.53 N ATOM 1411 CA LYS A 89 2.692 -3.911 13.634 1.00 34.45 C ATOM 1412 C LYS A 89 2.963 -5.393 13.325 1.00 11.51 C ATOM 1413 O LYS A 89 3.348 -6.146 14.218 1.00 24.31 O ATOM 1414 CB LYS A 89 1.949 -3.804 14.971 1.00 75.32 C ATOM 1415 CG LYS A 89 0.438 -3.953 14.842 1.00 22.42 C ATOM 1416 CD LYS A 89 -0.177 -4.643 16.047 1.00 4.33 C ATOM 1417 CE LYS A 89 0.151 -6.126 16.055 1.00 20.22 C ATOM 1418 NZ LYS A 89 -0.603 -6.859 17.101 1.00 50.10 N ATOM 0 H LYS A 89 1.264 -3.845 12.095 1.00 43.53 H new ATOM 0 HA LYS A 89 3.657 -3.407 13.687 1.00 34.45 H new ATOM 0 HB2 LYS A 89 2.325 -4.571 15.649 1.00 75.32 H new ATOM 0 HB3 LYS A 89 2.173 -2.839 15.426 1.00 75.32 H new ATOM 0 HG2 LYS A 89 -0.013 -2.968 14.720 1.00 22.42 H new ATOM 0 HG3 LYS A 89 0.207 -4.523 13.942 1.00 22.42 H new ATOM 0 HD2 LYS A 89 0.193 -4.181 16.962 1.00 4.33 H new ATOM 0 HD3 LYS A 89 -1.258 -4.507 16.035 1.00 4.33 H new ATOM 0 HE2 LYS A 89 -0.077 -6.553 15.078 1.00 20.22 H new ATOM 0 HE3 LYS A 89 1.220 -6.259 16.219 1.00 20.22 H new ATOM 0 HZ1 LYS A 89 -0.348 -7.867 17.070 1.00 50.10 H new ATOM 0 HZ2 LYS A 89 -0.366 -6.470 18.036 1.00 50.10 H new ATOM 0 HZ3 LYS A 89 -1.624 -6.754 16.931 1.00 50.10 H new ATOM 1432 N GLN A 90 2.774 -5.813 12.077 1.00 53.25 N ATOM 1433 CA GLN A 90 3.044 -7.207 11.700 1.00 75.02 C ATOM 1434 C GLN A 90 3.444 -7.305 10.231 1.00 53.42 C ATOM 1435 O GLN A 90 4.540 -7.775 9.887 1.00 23.20 O ATOM 1436 CB GLN A 90 1.814 -8.088 11.959 1.00 61.52 C ATOM 1437 CG GLN A 90 2.021 -9.544 11.561 1.00 42.40 C ATOM 1438 CD GLN A 90 0.783 -10.396 11.763 1.00 72.11 C ATOM 1439 OE1 GLN A 90 0.584 -10.982 12.827 1.00 75.24 O ATOM 1440 NE2 GLN A 90 -0.052 -10.485 10.740 1.00 30.22 N ATOM 0 H GLN A 90 2.440 -5.222 11.316 1.00 53.25 H new ATOM 0 HA GLN A 90 3.871 -7.562 12.315 1.00 75.02 H new ATOM 0 HB2 GLN A 90 1.558 -8.041 13.018 1.00 61.52 H new ATOM 0 HB3 GLN A 90 0.964 -7.685 11.408 1.00 61.52 H new ATOM 0 HG2 GLN A 90 2.320 -9.590 10.514 1.00 42.40 H new ATOM 0 HG3 GLN A 90 2.842 -9.961 12.145 1.00 42.40 H new ATOM 0 HE21 GLN A 90 0.147 -9.984 9.874 1.00 30.22 H new ATOM 0 HE22 GLN A 90 -0.895 -11.054 10.818 1.00 30.22 H new ATOM 1449 N ASP A 91 2.548 -6.839 9.380 1.00 23.15 N ATOM 1450 CA ASP A 91 2.752 -6.855 7.943 1.00 44.33 C ATOM 1451 C ASP A 91 4.038 -6.135 7.560 1.00 62.44 C ATOM 1452 O ASP A 91 4.797 -6.628 6.730 1.00 4.54 O ATOM 1453 CB ASP A 91 1.554 -6.215 7.240 1.00 75.41 C ATOM 1454 CG ASP A 91 1.172 -4.884 7.852 1.00 23.52 C ATOM 1455 OD1 ASP A 91 0.806 -4.862 9.057 1.00 73.12 O ATOM 1456 OD2 ASP A 91 1.268 -3.857 7.152 1.00 53.31 O ATOM 0 H ASP A 91 1.655 -6.437 9.667 1.00 23.15 H new ATOM 0 HA ASP A 91 2.843 -7.893 7.622 1.00 44.33 H new ATOM 0 HB2 ASP A 91 1.788 -6.073 6.185 1.00 75.41 H new ATOM 0 HB3 ASP A 91 0.702 -6.893 7.289 1.00 75.41 H new ATOM 1461 N LEU A 92 4.308 -4.990 8.189 1.00 11.41 N ATOM 1462 CA LEU A 92 5.526 -4.241 7.888 1.00 65.21 C ATOM 1463 C LEU A 92 6.765 -5.056 8.241 1.00 64.21 C ATOM 1464 O LEU A 92 7.797 -4.903 7.611 1.00 34.33 O ATOM 1465 CB LEU A 92 5.549 -2.842 8.559 1.00 40.53 C ATOM 1466 CG LEU A 92 5.839 -2.729 10.078 1.00 13.33 C ATOM 1467 CD1 LEU A 92 5.007 -3.698 10.898 1.00 62.51 C ATOM 1468 CD2 LEU A 92 7.325 -2.890 10.383 1.00 45.21 C ATOM 0 H LEU A 92 3.710 -4.567 8.899 1.00 11.41 H new ATOM 0 HA LEU A 92 5.533 -4.061 6.813 1.00 65.21 H new ATOM 0 HB2 LEU A 92 6.295 -2.242 8.038 1.00 40.53 H new ATOM 0 HB3 LEU A 92 4.581 -2.376 8.376 1.00 40.53 H new ATOM 0 HG LEU A 92 5.544 -1.722 10.373 1.00 13.33 H new ATOM 0 HD11 LEU A 92 5.247 -3.580 11.955 1.00 62.51 H new ATOM 0 HD12 LEU A 92 3.948 -3.492 10.741 1.00 62.51 H new ATOM 0 HD13 LEU A 92 5.228 -4.719 10.588 1.00 62.51 H new ATOM 0 HD21 LEU A 92 7.487 -2.805 11.457 1.00 45.21 H new ATOM 0 HD22 LEU A 92 7.663 -3.869 10.042 1.00 45.21 H new ATOM 0 HD23 LEU A 92 7.889 -2.112 9.868 1.00 45.21 H new ATOM 1480 N ARG A 93 6.649 -5.948 9.218 1.00 45.20 N ATOM 1481 CA ARG A 93 7.776 -6.778 9.611 1.00 23.12 C ATOM 1482 C ARG A 93 8.144 -7.720 8.485 1.00 43.22 C ATOM 1483 O ARG A 93 9.275 -7.713 7.993 1.00 22.51 O ATOM 1484 CB ARG A 93 7.460 -7.593 10.866 1.00 12.15 C ATOM 1485 CG ARG A 93 7.631 -6.832 12.167 1.00 63.35 C ATOM 1486 CD ARG A 93 7.375 -7.743 13.357 1.00 31.41 C ATOM 1487 NE ARG A 93 8.175 -8.970 13.287 1.00 35.15 N ATOM 1488 CZ ARG A 93 7.667 -10.203 13.333 1.00 43.41 C ATOM 1489 NH1 ARG A 93 6.358 -10.381 13.455 1.00 52.40 N ATOM 1490 NH2 ARG A 93 8.476 -11.252 13.260 1.00 23.42 N ATOM 0 H ARG A 93 5.793 -6.113 9.747 1.00 45.20 H new ATOM 0 HA ARG A 93 8.613 -6.116 9.831 1.00 23.12 H new ATOM 0 HB2 ARG A 93 6.433 -7.953 10.802 1.00 12.15 H new ATOM 0 HB3 ARG A 93 8.105 -8.472 10.886 1.00 12.15 H new ATOM 0 HG2 ARG A 93 8.640 -6.423 12.226 1.00 63.35 H new ATOM 0 HG3 ARG A 93 6.942 -5.987 12.194 1.00 63.35 H new ATOM 0 HD2 ARG A 93 7.607 -7.210 14.279 1.00 31.41 H new ATOM 0 HD3 ARG A 93 6.317 -8.001 13.396 1.00 31.41 H new ATOM 0 HE ARG A 93 9.187 -8.875 13.197 1.00 35.15 H new ATOM 0 HH11 ARG A 93 5.737 -9.574 13.514 1.00 52.40 H new ATOM 0 HH12 ARG A 93 5.973 -11.325 13.490 1.00 52.40 H new ATOM 0 HH21 ARG A 93 9.483 -11.114 13.169 1.00 23.42 H new ATOM 0 HH22 ARG A 93 8.091 -12.196 13.295 1.00 23.42 H new ATOM 1504 N GLU A 94 7.181 -8.512 8.048 1.00 12.13 N ATOM 1505 CA GLU A 94 7.469 -9.509 7.030 1.00 44.20 C ATOM 1506 C GLU A 94 7.535 -8.903 5.628 1.00 1.43 C ATOM 1507 O GLU A 94 8.102 -9.506 4.724 1.00 22.24 O ATOM 1508 CB GLU A 94 6.488 -10.673 7.097 1.00 35.32 C ATOM 1509 CG GLU A 94 5.019 -10.294 7.100 1.00 21.30 C ATOM 1510 CD GLU A 94 4.155 -11.502 7.364 1.00 23.15 C ATOM 1511 OE1 GLU A 94 4.052 -12.360 6.467 1.00 12.04 O ATOM 1512 OE2 GLU A 94 3.624 -11.625 8.487 1.00 40.41 O ATOM 0 H GLU A 94 6.214 -8.488 8.372 1.00 12.13 H new ATOM 0 HA GLU A 94 8.462 -9.905 7.245 1.00 44.20 H new ATOM 0 HB2 GLU A 94 6.673 -11.330 6.247 1.00 35.32 H new ATOM 0 HB3 GLU A 94 6.698 -11.250 7.998 1.00 35.32 H new ATOM 0 HG2 GLU A 94 4.836 -9.537 7.862 1.00 21.30 H new ATOM 0 HG3 GLU A 94 4.751 -9.852 6.140 1.00 21.30 H new ATOM 1519 N SER A 95 6.971 -7.711 5.448 1.00 20.43 N ATOM 1520 CA SER A 95 7.124 -6.984 4.189 1.00 32.15 C ATOM 1521 C SER A 95 8.533 -6.411 4.104 1.00 4.22 C ATOM 1522 O SER A 95 9.171 -6.434 3.054 1.00 5.03 O ATOM 1523 CB SER A 95 6.077 -5.865 4.080 1.00 21.33 C ATOM 1524 OG SER A 95 6.178 -5.170 2.845 1.00 14.22 O ATOM 0 H SER A 95 6.409 -7.231 6.151 1.00 20.43 H new ATOM 0 HA SER A 95 6.967 -7.671 3.358 1.00 32.15 H new ATOM 0 HB2 SER A 95 5.078 -6.290 4.178 1.00 21.33 H new ATOM 0 HB3 SER A 95 6.207 -5.164 4.904 1.00 21.33 H new ATOM 0 HG SER A 95 6.882 -5.577 2.297 1.00 14.22 H new ATOM 1530 N LEU A 96 9.019 -5.931 5.233 1.00 4.34 N ATOM 1531 CA LEU A 96 10.367 -5.394 5.332 1.00 11.11 C ATOM 1532 C LEU A 96 11.407 -6.495 5.138 1.00 53.21 C ATOM 1533 O LEU A 96 12.526 -6.240 4.694 1.00 30.54 O ATOM 1534 CB LEU A 96 10.537 -4.732 6.694 1.00 3.15 C ATOM 1535 CG LEU A 96 10.544 -3.198 6.689 1.00 4.11 C ATOM 1536 CD1 LEU A 96 11.739 -2.677 5.907 1.00 21.12 C ATOM 1537 CD2 LEU A 96 9.247 -2.647 6.105 1.00 45.31 C ATOM 0 H LEU A 96 8.494 -5.901 6.107 1.00 4.34 H new ATOM 0 HA LEU A 96 10.518 -4.655 4.545 1.00 11.11 H new ATOM 0 HB2 LEU A 96 9.732 -5.072 7.346 1.00 3.15 H new ATOM 0 HB3 LEU A 96 11.472 -5.080 7.133 1.00 3.15 H new ATOM 0 HG LEU A 96 10.623 -2.856 7.721 1.00 4.11 H new ATOM 0 HD11 LEU A 96 11.730 -1.587 5.912 1.00 21.12 H new ATOM 0 HD12 LEU A 96 12.660 -3.035 6.368 1.00 21.12 H new ATOM 0 HD13 LEU A 96 11.685 -3.035 4.879 1.00 21.12 H new ATOM 0 HD21 LEU A 96 9.278 -1.557 6.113 1.00 45.31 H new ATOM 0 HD22 LEU A 96 9.131 -2.999 5.080 1.00 45.31 H new ATOM 0 HD23 LEU A 96 8.404 -2.990 6.704 1.00 45.31 H new ATOM 1549 N ARG A 97 11.029 -7.716 5.492 1.00 74.52 N ATOM 1550 CA ARG A 97 11.889 -8.872 5.284 1.00 71.41 C ATOM 1551 C ARG A 97 11.699 -9.445 3.884 1.00 5.04 C ATOM 1552 O ARG A 97 12.582 -10.124 3.356 1.00 72.33 O ATOM 1553 CB ARG A 97 11.609 -9.934 6.347 1.00 34.11 C ATOM 1554 CG ARG A 97 12.034 -9.505 7.742 1.00 24.10 C ATOM 1555 CD ARG A 97 13.538 -9.288 7.811 1.00 34.13 C ATOM 1556 NE ARG A 97 14.274 -10.537 7.632 1.00 1.43 N ATOM 1557 CZ ARG A 97 15.539 -10.609 7.233 1.00 3.15 C ATOM 1558 NH1 ARG A 97 16.232 -9.500 6.996 1.00 63.02 N ATOM 1559 NH2 ARG A 97 16.119 -11.791 7.079 1.00 1.14 N ATOM 0 H ARG A 97 10.131 -7.931 5.925 1.00 74.52 H new ATOM 0 HA ARG A 97 12.927 -8.553 5.376 1.00 71.41 H new ATOM 0 HB2 ARG A 97 10.543 -10.163 6.352 1.00 34.11 H new ATOM 0 HB3 ARG A 97 12.131 -10.853 6.081 1.00 34.11 H new ATOM 0 HG2 ARG A 97 11.517 -8.585 8.017 1.00 24.10 H new ATOM 0 HG3 ARG A 97 11.739 -10.265 8.466 1.00 24.10 H new ATOM 0 HD2 ARG A 97 13.838 -8.576 7.043 1.00 34.13 H new ATOM 0 HD3 ARG A 97 13.798 -8.847 8.773 1.00 34.13 H new ATOM 0 HE ARG A 97 13.785 -11.411 7.826 1.00 1.43 H new ATOM 0 HH11 ARG A 97 15.793 -8.588 7.120 1.00 63.02 H new ATOM 0 HH12 ARG A 97 17.203 -9.561 6.690 1.00 63.02 H new ATOM 0 HH21 ARG A 97 15.594 -12.645 7.267 1.00 1.14 H new ATOM 0 HH22 ARG A 97 17.090 -11.846 6.773 1.00 1.14 H new ATOM 1573 N ALA A 98 10.546 -9.169 3.288 1.00 30.14 N ATOM 1574 CA ALA A 98 10.263 -9.603 1.929 1.00 73.45 C ATOM 1575 C ALA A 98 11.016 -8.737 0.929 1.00 11.11 C ATOM 1576 O ALA A 98 11.741 -9.249 0.069 1.00 31.54 O ATOM 1577 CB ALA A 98 8.768 -9.548 1.651 1.00 61.15 C ATOM 0 H ALA A 98 9.790 -8.644 3.728 1.00 30.14 H new ATOM 0 HA ALA A 98 10.598 -10.635 1.821 1.00 73.45 H new ATOM 0 HB1 ALA A 98 8.576 -9.876 0.630 1.00 61.15 H new ATOM 0 HB2 ALA A 98 8.244 -10.203 2.347 1.00 61.15 H new ATOM 0 HB3 ALA A 98 8.412 -8.525 1.777 1.00 61.15 H new ATOM 1583 N ALA A 99 10.851 -7.426 1.052 1.00 12.42 N ATOM 1584 CA ALA A 99 11.547 -6.484 0.191 1.00 41.31 C ATOM 1585 C ALA A 99 13.038 -6.496 0.489 1.00 22.10 C ATOM 1586 O ALA A 99 13.514 -5.773 1.359 1.00 41.53 O ATOM 1587 CB ALA A 99 10.992 -5.076 0.360 1.00 0.42 C ATOM 0 H ALA A 99 10.239 -6.992 1.743 1.00 12.42 H new ATOM 0 HA ALA A 99 11.389 -6.793 -0.842 1.00 41.31 H new ATOM 0 HB1 ALA A 99 11.530 -4.392 -0.295 1.00 0.42 H new ATOM 0 HB2 ALA A 99 9.933 -5.069 0.101 1.00 0.42 H new ATOM 0 HB3 ALA A 99 11.115 -4.758 1.396 1.00 0.42 H new ATOM 1593 N SER A 100 13.771 -7.334 -0.221 1.00 72.44 N ATOM 1594 CA SER A 100 15.199 -7.468 0.005 1.00 64.13 C ATOM 1595 C SER A 100 15.981 -6.545 -0.929 1.00 10.23 C ATOM 1596 O SER A 100 17.203 -6.635 -1.039 1.00 32.34 O ATOM 1597 CB SER A 100 15.612 -8.926 -0.195 1.00 32.41 C ATOM 1598 OG SER A 100 14.654 -9.801 0.385 1.00 63.53 O ATOM 0 H SER A 100 13.401 -7.932 -0.959 1.00 72.44 H new ATOM 0 HA SER A 100 15.429 -7.174 1.029 1.00 64.13 H new ATOM 0 HB2 SER A 100 15.710 -9.139 -1.259 1.00 32.41 H new ATOM 0 HB3 SER A 100 16.589 -9.098 0.256 1.00 32.41 H new ATOM 0 HG SER A 100 14.933 -10.730 0.246 1.00 63.53 H new ATOM 1604 N LEU A 101 15.262 -5.647 -1.595 1.00 40.32 N ATOM 1605 CA LEU A 101 15.877 -4.669 -2.486 1.00 42.11 C ATOM 1606 C LEU A 101 15.960 -3.312 -1.789 1.00 52.41 C ATOM 1607 O LEU A 101 15.889 -2.249 -2.422 1.00 44.22 O ATOM 1608 CB LEU A 101 15.104 -4.552 -3.813 1.00 4.20 C ATOM 1609 CG LEU A 101 13.682 -3.976 -3.743 1.00 62.31 C ATOM 1610 CD1 LEU A 101 13.263 -3.464 -5.111 1.00 64.14 C ATOM 1611 CD2 LEU A 101 12.680 -5.016 -3.258 1.00 73.42 C ATOM 0 H LEU A 101 14.246 -5.576 -1.534 1.00 40.32 H new ATOM 0 HA LEU A 101 16.885 -5.010 -2.724 1.00 42.11 H new ATOM 0 HB2 LEU A 101 15.688 -3.931 -4.492 1.00 4.20 H new ATOM 0 HB3 LEU A 101 15.046 -5.544 -4.260 1.00 4.20 H new ATOM 0 HG LEU A 101 13.691 -3.154 -3.027 1.00 62.31 H new ATOM 0 HD11 LEU A 101 12.253 -3.057 -5.054 1.00 64.14 H new ATOM 0 HD12 LEU A 101 13.951 -2.683 -5.434 1.00 64.14 H new ATOM 0 HD13 LEU A 101 13.283 -4.284 -5.828 1.00 64.14 H new ATOM 0 HD21 LEU A 101 11.685 -4.573 -3.221 1.00 73.42 H new ATOM 0 HD22 LEU A 101 12.675 -5.863 -3.943 1.00 73.42 H new ATOM 0 HD23 LEU A 101 12.963 -5.357 -2.262 1.00 73.42 H new ATOM 1623 N LEU A 102 16.159 -3.359 -0.473 1.00 25.05 N ATOM 1624 CA LEU A 102 16.236 -2.156 0.352 1.00 70.31 C ATOM 1625 C LEU A 102 17.568 -1.441 0.164 1.00 52.12 C ATOM 1626 O LEU A 102 17.995 -0.662 1.019 1.00 32.31 O ATOM 1627 CB LEU A 102 16.037 -2.507 1.825 1.00 72.45 C ATOM 1628 CG LEU A 102 14.691 -3.146 2.165 1.00 42.41 C ATOM 1629 CD1 LEU A 102 14.573 -3.379 3.660 1.00 50.44 C ATOM 1630 CD2 LEU A 102 13.550 -2.276 1.664 1.00 1.43 C ATOM 0 H LEU A 102 16.271 -4.228 0.049 1.00 25.05 H new ATOM 0 HA LEU A 102 15.440 -1.483 0.034 1.00 70.31 H new ATOM 0 HB2 LEU A 102 16.832 -3.188 2.131 1.00 72.45 H new ATOM 0 HB3 LEU A 102 16.150 -1.599 2.417 1.00 72.45 H new ATOM 0 HG LEU A 102 14.631 -4.113 1.665 1.00 42.41 H new ATOM 0 HD11 LEU A 102 13.608 -3.834 3.882 1.00 50.44 H new ATOM 0 HD12 LEU A 102 15.372 -4.043 3.989 1.00 50.44 H new ATOM 0 HD13 LEU A 102 14.654 -2.427 4.184 1.00 50.44 H new ATOM 0 HD21 LEU A 102 12.598 -2.745 1.914 1.00 1.43 H new ATOM 0 HD22 LEU A 102 13.606 -1.295 2.136 1.00 1.43 H new ATOM 0 HD23 LEU A 102 13.626 -2.163 0.583 1.00 1.43 H new ATOM 1642 N ASP A 103 18.219 -1.715 -0.951 1.00 20.23 N ATOM 1643 CA ASP A 103 19.427 -1.013 -1.319 1.00 22.24 C ATOM 1644 C ASP A 103 19.061 0.221 -2.121 1.00 3.41 C ATOM 1645 O ASP A 103 19.522 1.326 -1.831 1.00 64.43 O ATOM 1646 CB ASP A 103 20.363 -1.922 -2.120 1.00 64.30 C ATOM 1647 CG ASP A 103 21.578 -1.188 -2.644 1.00 71.42 C ATOM 1648 OD1 ASP A 103 22.511 -0.930 -1.850 1.00 63.10 O ATOM 1649 OD2 ASP A 103 21.614 -0.875 -3.850 1.00 25.23 O ATOM 0 H ASP A 103 17.925 -2.426 -1.621 1.00 20.23 H new ATOM 0 HA ASP A 103 19.956 -0.711 -0.415 1.00 22.24 H new ATOM 0 HB2 ASP A 103 20.687 -2.750 -1.489 1.00 64.30 H new ATOM 0 HB3 ASP A 103 19.815 -2.354 -2.957 1.00 64.30 H new ATOM 1654 N LYS A 104 18.211 0.032 -3.121 1.00 22.35 N ATOM 1655 CA LYS A 104 17.712 1.150 -3.900 1.00 24.20 C ATOM 1656 C LYS A 104 16.557 1.828 -3.173 1.00 22.23 C ATOM 1657 O LYS A 104 16.416 3.051 -3.222 1.00 13.22 O ATOM 1658 CB LYS A 104 17.249 0.702 -5.289 1.00 23.34 C ATOM 1659 CG LYS A 104 16.125 -0.320 -5.264 1.00 70.51 C ATOM 1660 CD LYS A 104 15.358 -0.355 -6.575 1.00 14.32 C ATOM 1661 CE LYS A 104 14.303 0.746 -6.654 1.00 53.43 C ATOM 1662 NZ LYS A 104 14.885 2.112 -6.728 1.00 53.23 N ATOM 0 H LYS A 104 17.856 -0.880 -3.408 1.00 22.35 H new ATOM 0 HA LYS A 104 18.532 1.858 -4.022 1.00 24.20 H new ATOM 0 HB2 LYS A 104 16.919 1.576 -5.851 1.00 23.34 H new ATOM 0 HB3 LYS A 104 18.099 0.280 -5.826 1.00 23.34 H new ATOM 0 HG2 LYS A 104 16.538 -1.308 -5.059 1.00 70.51 H new ATOM 0 HG3 LYS A 104 15.440 -0.085 -4.449 1.00 70.51 H new ATOM 0 HD2 LYS A 104 16.056 -0.248 -7.405 1.00 14.32 H new ATOM 0 HD3 LYS A 104 14.876 -1.326 -6.687 1.00 14.32 H new ATOM 0 HE2 LYS A 104 13.676 0.577 -7.530 1.00 53.43 H new ATOM 0 HE3 LYS A 104 13.654 0.682 -5.781 1.00 53.43 H new ATOM 0 HZ1 LYS A 104 14.189 2.764 -7.144 1.00 53.23 H new ATOM 0 HZ2 LYS A 104 15.134 2.435 -5.772 1.00 53.23 H new ATOM 0 HZ3 LYS A 104 15.739 2.094 -7.321 1.00 53.23 H new ATOM 1676 N ILE A 105 15.728 1.036 -2.500 1.00 3.22 N ATOM 1677 CA ILE A 105 14.572 1.596 -1.814 1.00 44.04 C ATOM 1678 C ILE A 105 14.890 1.864 -0.344 1.00 31.14 C ATOM 1679 O ILE A 105 15.099 0.942 0.447 1.00 0.15 O ATOM 1680 CB ILE A 105 13.320 0.693 -1.946 1.00 54.03 C ATOM 1681 CG1 ILE A 105 13.565 -0.688 -1.348 1.00 24.20 C ATOM 1682 CG2 ILE A 105 12.920 0.563 -3.407 1.00 23.44 C ATOM 1683 CD1 ILE A 105 12.376 -1.613 -1.444 1.00 55.22 C ATOM 0 H ILE A 105 15.832 0.025 -2.416 1.00 3.22 H new ATOM 0 HA ILE A 105 14.340 2.544 -2.300 1.00 44.04 H new ATOM 0 HB ILE A 105 12.509 1.163 -1.390 1.00 54.03 H new ATOM 0 HG12 ILE A 105 14.413 -1.148 -1.855 1.00 24.20 H new ATOM 0 HG13 ILE A 105 13.843 -0.576 -0.300 1.00 24.20 H new ATOM 0 HG21 ILE A 105 12.039 -0.074 -3.488 1.00 23.44 H new ATOM 0 HG22 ILE A 105 12.693 1.549 -3.811 1.00 23.44 H new ATOM 0 HG23 ILE A 105 13.741 0.120 -3.971 1.00 23.44 H new ATOM 0 HD11 ILE A 105 12.627 -2.575 -0.998 1.00 55.22 H new ATOM 0 HD12 ILE A 105 11.531 -1.176 -0.912 1.00 55.22 H new ATOM 0 HD13 ILE A 105 12.110 -1.757 -2.491 1.00 55.22 H new ATOM 1695 N GLY A 106 14.962 3.138 0.005 1.00 13.04 N ATOM 1696 CA GLY A 106 15.248 3.515 1.373 1.00 2.20 C ATOM 1697 C GLY A 106 13.986 3.842 2.131 1.00 61.21 C ATOM 1698 O GLY A 106 13.883 3.594 3.333 1.00 73.25 O ATOM 0 H GLY A 106 14.827 3.920 -0.636 1.00 13.04 H new ATOM 0 HA2 GLY A 106 15.774 2.702 1.873 1.00 2.20 H new ATOM 0 HA3 GLY A 106 15.913 4.378 1.382 1.00 2.20 H new ATOM 1702 N GLU A 107 13.023 4.407 1.421 1.00 53.10 N ATOM 1703 CA GLU A 107 11.722 4.694 1.988 1.00 3.15 C ATOM 1704 C GLU A 107 10.718 3.673 1.463 1.00 64.30 C ATOM 1705 O GLU A 107 10.741 2.510 1.876 1.00 34.22 O ATOM 1706 CB GLU A 107 11.269 6.125 1.652 1.00 51.22 C ATOM 1707 CG GLU A 107 11.980 7.226 2.435 1.00 24.31 C ATOM 1708 CD GLU A 107 13.474 7.312 2.162 1.00 34.32 C ATOM 1709 OE1 GLU A 107 13.876 7.397 0.980 1.00 74.44 O ATOM 1710 OE2 GLU A 107 14.257 7.307 3.135 1.00 31.23 O ATOM 0 H GLU A 107 13.123 4.677 0.442 1.00 53.10 H new ATOM 0 HA GLU A 107 11.784 4.623 3.074 1.00 3.15 H new ATOM 0 HB2 GLU A 107 11.424 6.299 0.587 1.00 51.22 H new ATOM 0 HB3 GLU A 107 10.197 6.203 1.835 1.00 51.22 H new ATOM 0 HG2 GLU A 107 11.521 8.185 2.193 1.00 24.31 H new ATOM 0 HG3 GLU A 107 11.825 7.058 3.501 1.00 24.31 H new ATOM 1717 N ASP A 108 9.846 4.116 0.551 1.00 31.22 N ATOM 1718 CA ASP A 108 8.926 3.231 -0.186 1.00 2.24 C ATOM 1719 C ASP A 108 7.915 2.520 0.723 1.00 33.35 C ATOM 1720 O ASP A 108 7.029 1.820 0.238 1.00 33.22 O ATOM 1721 CB ASP A 108 9.716 2.184 -0.984 1.00 35.23 C ATOM 1722 CG ASP A 108 10.611 2.795 -2.050 1.00 34.01 C ATOM 1723 OD1 ASP A 108 11.598 3.474 -1.689 1.00 43.20 O ATOM 1724 OD2 ASP A 108 10.339 2.590 -3.248 1.00 31.43 O ATOM 0 H ASP A 108 9.755 5.100 0.300 1.00 31.22 H new ATOM 0 HA ASP A 108 8.361 3.873 -0.861 1.00 2.24 H new ATOM 0 HB2 ASP A 108 10.327 1.598 -0.297 1.00 35.23 H new ATOM 0 HB3 ASP A 108 9.017 1.494 -1.457 1.00 35.23 H new ATOM 1729 N HIS A 109 8.062 2.686 2.034 1.00 21.43 N ATOM 1730 CA HIS A 109 7.221 2.003 3.016 1.00 74.15 C ATOM 1731 C HIS A 109 7.595 2.426 4.435 1.00 3.52 C ATOM 1732 O HIS A 109 8.510 1.872 5.046 1.00 52.34 O ATOM 1733 CB HIS A 109 7.315 0.469 2.875 1.00 53.13 C ATOM 1734 CG HIS A 109 8.709 -0.053 2.664 1.00 5.13 C ATOM 1735 ND1 HIS A 109 9.659 -0.107 3.659 1.00 31.21 N ATOM 1736 CD2 HIS A 109 9.312 -0.528 1.549 1.00 14.21 C ATOM 1737 CE1 HIS A 109 10.784 -0.584 3.166 1.00 22.22 C ATOM 1738 NE2 HIS A 109 10.602 -0.852 1.885 1.00 65.31 N ATOM 0 H HIS A 109 8.767 3.297 2.447 1.00 21.43 H new ATOM 0 HA HIS A 109 6.189 2.296 2.821 1.00 74.15 H new ATOM 0 HB2 HIS A 109 6.900 0.008 3.771 1.00 53.13 H new ATOM 0 HB3 HIS A 109 6.692 0.155 2.037 1.00 53.13 H new ATOM 0 HD1 HIS A 109 9.514 0.178 4.628 1.00 31.21 H new ATOM 0 HD2 HIS A 109 8.860 -0.633 0.574 1.00 14.21 H new ATOM 0 HE1 HIS A 109 11.701 -0.731 3.717 1.00 22.22 H new ATOM 1747 N ILE A 110 6.901 3.428 4.943 1.00 61.45 N ATOM 1748 CA ILE A 110 7.117 3.910 6.303 1.00 52.13 C ATOM 1749 C ILE A 110 5.771 4.063 7.004 1.00 42.31 C ATOM 1750 O ILE A 110 4.836 3.327 6.701 1.00 31.13 O ATOM 1751 CB ILE A 110 7.914 5.249 6.360 1.00 64.34 C ATOM 1752 CG1 ILE A 110 7.194 6.385 5.614 1.00 51.01 C ATOM 1753 CG2 ILE A 110 9.326 5.056 5.816 1.00 12.15 C ATOM 1754 CD1 ILE A 110 7.265 6.295 4.109 1.00 21.32 C ATOM 0 H ILE A 110 6.175 3.931 4.432 1.00 61.45 H new ATOM 0 HA ILE A 110 7.729 3.169 6.817 1.00 52.13 H new ATOM 0 HB ILE A 110 7.978 5.543 7.408 1.00 64.34 H new ATOM 0 HG12 ILE A 110 6.146 6.392 5.915 1.00 51.01 H new ATOM 0 HG13 ILE A 110 7.623 7.337 5.928 1.00 51.01 H new ATOM 0 HG21 ILE A 110 9.867 6.001 5.864 1.00 12.15 H new ATOM 0 HG22 ILE A 110 9.847 4.309 6.414 1.00 12.15 H new ATOM 0 HG23 ILE A 110 9.274 4.720 4.780 1.00 12.15 H new ATOM 0 HD11 ILE A 110 6.731 7.137 3.669 1.00 21.32 H new ATOM 0 HD12 ILE A 110 8.307 6.321 3.792 1.00 21.32 H new ATOM 0 HD13 ILE A 110 6.808 5.362 3.778 1.00 21.32 H new ATOM 1766 N PHE A 111 5.660 4.994 7.937 1.00 54.04 N ATOM 1767 CA PHE A 111 4.416 5.174 8.671 1.00 22.20 C ATOM 1768 C PHE A 111 3.786 6.530 8.365 1.00 74.14 C ATOM 1769 O PHE A 111 4.259 7.246 7.488 1.00 33.15 O ATOM 1770 CB PHE A 111 4.662 5.012 10.171 1.00 34.35 C ATOM 1771 CG PHE A 111 5.122 3.629 10.535 1.00 33.00 C ATOM 1772 CD1 PHE A 111 4.206 2.601 10.679 1.00 60.43 C ATOM 1773 CD2 PHE A 111 6.468 3.354 10.715 1.00 35.24 C ATOM 1774 CE1 PHE A 111 4.622 1.326 10.999 1.00 64.42 C ATOM 1775 CE2 PHE A 111 6.889 2.080 11.037 1.00 61.13 C ATOM 1776 CZ PHE A 111 5.965 1.062 11.177 1.00 70.52 C ATOM 0 H PHE A 111 6.409 5.633 8.204 1.00 54.04 H new ATOM 0 HA PHE A 111 3.713 4.406 8.349 1.00 22.20 H new ATOM 0 HB2 PHE A 111 5.410 5.736 10.493 1.00 34.35 H new ATOM 0 HB3 PHE A 111 3.744 5.240 10.713 1.00 34.35 H new ATOM 0 HD1 PHE A 111 3.154 2.800 10.539 1.00 60.43 H new ATOM 0 HD2 PHE A 111 7.195 4.145 10.602 1.00 35.24 H new ATOM 0 HE1 PHE A 111 3.897 0.534 11.110 1.00 64.42 H new ATOM 0 HE2 PHE A 111 7.940 1.878 11.180 1.00 61.13 H new ATOM 0 HZ PHE A 111 6.293 0.063 11.425 1.00 70.52 H new ATOM 1786 N MET A 112 2.690 6.831 9.066 1.00 50.20 N ATOM 1787 CA MET A 112 1.972 8.114 8.952 1.00 54.44 C ATOM 1788 C MET A 112 2.922 9.300 8.745 1.00 12.43 C ATOM 1789 O MET A 112 3.669 9.669 9.649 1.00 21.44 O ATOM 1790 CB MET A 112 1.135 8.341 10.221 1.00 51.24 C ATOM 1791 CG MET A 112 0.452 9.705 10.304 1.00 21.13 C ATOM 1792 SD MET A 112 -1.291 9.672 9.822 1.00 54.13 S ATOM 1793 CE MET A 112 -1.181 9.319 8.073 1.00 52.45 C ATOM 0 H MET A 112 2.268 6.189 9.736 1.00 50.20 H new ATOM 0 HA MET A 112 1.329 8.056 8.074 1.00 54.44 H new ATOM 0 HB2 MET A 112 0.372 7.565 10.280 1.00 51.24 H new ATOM 0 HB3 MET A 112 1.780 8.220 11.091 1.00 51.24 H new ATOM 0 HG2 MET A 112 0.531 10.080 11.324 1.00 21.13 H new ATOM 0 HG3 MET A 112 0.984 10.408 9.663 1.00 21.13 H new ATOM 0 HE1 MET A 112 -1.932 9.899 7.537 1.00 52.45 H new ATOM 0 HE2 MET A 112 -0.189 9.586 7.710 1.00 52.45 H new ATOM 0 HE3 MET A 112 -1.355 8.256 7.905 1.00 52.45 H new ATOM 1803 N THR A 113 2.887 9.884 7.545 1.00 55.10 N ATOM 1804 CA THR A 113 3.733 11.033 7.227 1.00 42.21 C ATOM 1805 C THR A 113 3.458 11.566 5.814 1.00 63.32 C ATOM 1806 O THR A 113 3.659 12.753 5.545 1.00 1.32 O ATOM 1807 CB THR A 113 5.239 10.689 7.350 1.00 20.22 C ATOM 1808 OG1 THR A 113 6.033 11.873 7.206 1.00 34.24 O ATOM 1809 CG2 THR A 113 5.657 9.674 6.295 1.00 3.53 C ATOM 0 H THR A 113 2.284 9.580 6.781 1.00 55.10 H new ATOM 0 HA THR A 113 3.483 11.805 7.955 1.00 42.21 H new ATOM 0 HB THR A 113 5.401 10.257 8.338 1.00 20.22 H new ATOM 0 HG1 THR A 113 6.982 11.642 7.287 1.00 34.24 H new ATOM 0 HG21 THR A 113 6.718 9.451 6.405 1.00 3.53 H new ATOM 0 HG22 THR A 113 5.079 8.759 6.422 1.00 3.53 H new ATOM 0 HG23 THR A 113 5.473 10.085 5.302 1.00 3.53 H new ATOM 1817 N LEU A 114 3.005 10.685 4.919 1.00 20.02 N ATOM 1818 CA LEU A 114 2.783 11.046 3.516 1.00 51.23 C ATOM 1819 C LEU A 114 1.857 12.251 3.334 1.00 21.51 C ATOM 1820 O LEU A 114 2.229 13.185 2.630 1.00 14.05 O ATOM 1821 CB LEU A 114 2.257 9.857 2.715 1.00 2.52 C ATOM 1822 CG LEU A 114 3.315 9.082 1.933 1.00 73.31 C ATOM 1823 CD1 LEU A 114 4.365 8.490 2.858 1.00 54.44 C ATOM 1824 CD2 LEU A 114 2.654 7.996 1.111 1.00 62.54 C ATOM 0 H LEU A 114 2.784 9.714 5.141 1.00 20.02 H new ATOM 0 HA LEU A 114 3.761 11.337 3.132 1.00 51.23 H new ATOM 0 HB2 LEU A 114 1.758 9.170 3.399 1.00 2.52 H new ATOM 0 HB3 LEU A 114 1.501 10.216 2.016 1.00 2.52 H new ATOM 0 HG LEU A 114 3.823 9.776 1.264 1.00 73.31 H new ATOM 0 HD11 LEU A 114 5.103 7.945 2.269 1.00 54.44 H new ATOM 0 HD12 LEU A 114 4.859 9.291 3.407 1.00 54.44 H new ATOM 0 HD13 LEU A 114 3.887 7.808 3.562 1.00 54.44 H new ATOM 0 HD21 LEU A 114 3.414 7.447 0.555 1.00 62.54 H new ATOM 0 HD22 LEU A 114 2.122 7.312 1.772 1.00 62.54 H new ATOM 0 HD23 LEU A 114 1.949 8.447 0.413 1.00 62.54 H new ATOM 1836 N PRO A 115 0.646 12.264 3.947 1.00 32.00 N ATOM 1837 CA PRO A 115 -0.306 13.382 3.797 1.00 70.41 C ATOM 1838 C PRO A 115 0.336 14.748 4.043 1.00 65.21 C ATOM 1839 O PRO A 115 -0.018 15.731 3.396 1.00 54.22 O ATOM 1840 CB PRO A 115 -1.391 13.105 4.853 1.00 74.14 C ATOM 1841 CG PRO A 115 -0.867 11.996 5.700 1.00 51.43 C ATOM 1842 CD PRO A 115 0.093 11.213 4.812 1.00 54.34 C ATOM 0 HA PRO A 115 -0.692 13.429 2.779 1.00 70.41 H new ATOM 0 HB2 PRO A 115 -1.588 13.994 5.452 1.00 74.14 H new ATOM 0 HB3 PRO A 115 -2.332 12.824 4.381 1.00 74.14 H new ATOM 0 HG2 PRO A 115 -0.356 12.385 6.581 1.00 51.43 H new ATOM 0 HG3 PRO A 115 -1.677 11.360 6.056 1.00 51.43 H new ATOM 0 HD2 PRO A 115 0.869 10.714 5.393 1.00 54.34 H new ATOM 0 HD3 PRO A 115 -0.421 10.442 4.238 1.00 54.34 H new ATOM 1850 N THR A 116 1.282 14.795 4.966 1.00 60.22 N ATOM 1851 CA THR A 116 1.991 16.024 5.267 1.00 42.21 C ATOM 1852 C THR A 116 3.079 16.282 4.227 1.00 12.31 C ATOM 1853 O THR A 116 3.194 17.384 3.689 1.00 2.41 O ATOM 1854 CB THR A 116 2.629 15.941 6.664 1.00 61.23 C ATOM 1855 OG1 THR A 116 1.666 15.440 7.600 1.00 50.45 O ATOM 1856 CG2 THR A 116 3.127 17.303 7.120 1.00 25.21 C ATOM 0 H THR A 116 1.577 13.992 5.521 1.00 60.22 H new ATOM 0 HA THR A 116 1.275 16.845 5.245 1.00 42.21 H new ATOM 0 HB THR A 116 3.483 15.266 6.614 1.00 61.23 H new ATOM 0 HG1 THR A 116 2.073 15.385 8.490 1.00 50.45 H new ATOM 0 HG21 THR A 116 3.573 17.214 8.111 1.00 25.21 H new ATOM 0 HG22 THR A 116 3.874 17.671 6.417 1.00 25.21 H new ATOM 0 HG23 THR A 116 2.291 18.001 7.160 1.00 25.21 H new ATOM 1864 N ALA A 117 3.847 15.239 3.930 1.00 33.12 N ATOM 1865 CA ALA A 117 4.975 15.345 3.016 1.00 12.23 C ATOM 1866 C ALA A 117 4.533 15.711 1.604 1.00 3.43 C ATOM 1867 O ALA A 117 4.944 16.741 1.071 1.00 41.40 O ATOM 1868 CB ALA A 117 5.762 14.041 2.999 1.00 24.55 C ATOM 0 H ALA A 117 3.706 14.304 4.313 1.00 33.12 H new ATOM 0 HA ALA A 117 5.615 16.150 3.378 1.00 12.23 H new ATOM 0 HB1 ALA A 117 6.603 14.133 2.312 1.00 24.55 H new ATOM 0 HB2 ALA A 117 6.134 13.827 4.001 1.00 24.55 H new ATOM 0 HB3 ALA A 117 5.113 13.229 2.672 1.00 24.55 H new ATOM 1874 N VAL A 118 3.676 14.884 1.008 1.00 1.53 N ATOM 1875 CA VAL A 118 3.274 15.079 -0.384 1.00 72.41 C ATOM 1876 C VAL A 118 2.569 16.418 -0.571 1.00 75.24 C ATOM 1877 O VAL A 118 2.771 17.099 -1.572 1.00 30.13 O ATOM 1878 CB VAL A 118 2.369 13.933 -0.905 1.00 21.24 C ATOM 1879 CG1 VAL A 118 3.084 12.596 -0.796 1.00 72.33 C ATOM 1880 CG2 VAL A 118 1.037 13.885 -0.165 1.00 10.24 C ATOM 0 H VAL A 118 3.249 14.077 1.463 1.00 1.53 H new ATOM 0 HA VAL A 118 4.192 15.072 -0.972 1.00 72.41 H new ATOM 0 HB VAL A 118 2.157 14.135 -1.955 1.00 21.24 H new ATOM 0 HG11 VAL A 118 2.433 11.804 -1.166 1.00 72.33 H new ATOM 0 HG12 VAL A 118 3.997 12.622 -1.390 1.00 72.33 H new ATOM 0 HG13 VAL A 118 3.335 12.402 0.247 1.00 72.33 H new ATOM 0 HG21 VAL A 118 0.431 13.069 -0.559 1.00 10.24 H new ATOM 0 HG22 VAL A 118 1.217 13.723 0.898 1.00 10.24 H new ATOM 0 HG23 VAL A 118 0.509 14.829 -0.304 1.00 10.24 H new ATOM 1890 N GLN A 119 1.775 16.812 0.416 1.00 74.02 N ATOM 1891 CA GLN A 119 1.039 18.062 0.343 1.00 0.15 C ATOM 1892 C GLN A 119 2.002 19.244 0.306 1.00 61.41 C ATOM 1893 O GLN A 119 1.854 20.151 -0.514 1.00 51.23 O ATOM 1894 CB GLN A 119 0.086 18.177 1.533 1.00 24.40 C ATOM 1895 CG GLN A 119 -0.775 19.426 1.518 1.00 32.21 C ATOM 1896 CD GLN A 119 -1.792 19.444 2.642 1.00 60.10 C ATOM 1897 OE1 GLN A 119 -2.869 20.019 2.510 1.00 51.32 O ATOM 1898 NE2 GLN A 119 -1.465 18.799 3.751 1.00 53.23 N ATOM 0 H GLN A 119 1.626 16.283 1.275 1.00 74.02 H new ATOM 0 HA GLN A 119 0.451 18.074 -0.575 1.00 0.15 H new ATOM 0 HB2 GLN A 119 -0.563 17.301 1.551 1.00 24.40 H new ATOM 0 HB3 GLN A 119 0.668 18.161 2.454 1.00 24.40 H new ATOM 0 HG2 GLN A 119 -0.135 20.305 1.597 1.00 32.21 H new ATOM 0 HG3 GLN A 119 -1.294 19.494 0.562 1.00 32.21 H new ATOM 0 HE21 GLN A 119 -0.560 18.333 3.822 1.00 53.23 H new ATOM 0 HE22 GLN A 119 -2.118 18.768 4.534 1.00 53.23 H new ATOM 1907 N ALA A 120 3.008 19.206 1.171 1.00 32.21 N ATOM 1908 CA ALA A 120 4.002 20.266 1.235 1.00 51.34 C ATOM 1909 C ALA A 120 4.902 20.252 0.003 1.00 22.52 C ATOM 1910 O ALA A 120 5.130 21.288 -0.621 1.00 40.41 O ATOM 1911 CB ALA A 120 4.834 20.129 2.501 1.00 22.45 C ATOM 0 H ALA A 120 3.156 18.449 1.839 1.00 32.21 H new ATOM 0 HA ALA A 120 3.479 21.222 1.257 1.00 51.34 H new ATOM 0 HB1 ALA A 120 5.575 20.928 2.538 1.00 22.45 H new ATOM 0 HB2 ALA A 120 4.183 20.197 3.373 1.00 22.45 H new ATOM 0 HB3 ALA A 120 5.341 19.164 2.501 1.00 22.45 H new ATOM 1917 N PHE A 121 5.388 19.072 -0.366 1.00 53.24 N ATOM 1918 CA PHE A 121 6.340 18.947 -1.470 1.00 54.24 C ATOM 1919 C PHE A 121 5.703 19.252 -2.828 1.00 2.21 C ATOM 1920 O PHE A 121 6.410 19.546 -3.793 1.00 24.13 O ATOM 1921 CB PHE A 121 6.962 17.545 -1.504 1.00 73.41 C ATOM 1922 CG PHE A 121 7.914 17.268 -0.371 1.00 44.01 C ATOM 1923 CD1 PHE A 121 8.862 18.208 0.000 1.00 42.22 C ATOM 1924 CD2 PHE A 121 7.867 16.063 0.313 1.00 74.53 C ATOM 1925 CE1 PHE A 121 9.743 17.953 1.035 1.00 41.31 C ATOM 1926 CE2 PHE A 121 8.746 15.804 1.349 1.00 24.04 C ATOM 1927 CZ PHE A 121 9.685 16.750 1.711 1.00 21.24 C ATOM 0 H PHE A 121 5.141 18.189 0.080 1.00 53.24 H new ATOM 0 HA PHE A 121 7.119 19.688 -1.288 1.00 54.24 H new ATOM 0 HB2 PHE A 121 6.163 16.804 -1.483 1.00 73.41 H new ATOM 0 HB3 PHE A 121 7.491 17.416 -2.448 1.00 73.41 H new ATOM 0 HD1 PHE A 121 8.913 19.150 -0.525 1.00 42.22 H new ATOM 0 HD2 PHE A 121 7.136 15.318 0.034 1.00 74.53 H new ATOM 0 HE1 PHE A 121 10.477 18.695 1.315 1.00 41.31 H new ATOM 0 HE2 PHE A 121 8.698 14.862 1.875 1.00 24.04 H new ATOM 0 HZ PHE A 121 10.372 16.550 2.520 1.00 21.24 H new ATOM 1937 N ARG A 122 4.379 19.186 -2.911 1.00 11.02 N ATOM 1938 CA ARG A 122 3.692 19.397 -4.182 1.00 5.32 C ATOM 1939 C ARG A 122 3.232 20.838 -4.375 1.00 11.35 C ATOM 1940 O ARG A 122 2.619 21.166 -5.392 1.00 64.01 O ATOM 1941 CB ARG A 122 2.508 18.439 -4.316 1.00 33.32 C ATOM 1942 CG ARG A 122 2.932 17.013 -4.633 1.00 52.00 C ATOM 1943 CD ARG A 122 3.569 16.924 -6.010 1.00 44.20 C ATOM 1944 NE ARG A 122 2.581 17.070 -7.074 1.00 43.23 N ATOM 1945 CZ ARG A 122 2.532 18.088 -7.931 1.00 15.01 C ATOM 1946 NH1 ARG A 122 3.433 19.062 -7.874 1.00 24.14 N ATOM 1947 NH2 ARG A 122 1.582 18.115 -8.855 1.00 51.20 N ATOM 0 H ARG A 122 3.764 18.990 -2.122 1.00 11.02 H new ATOM 0 HA ARG A 122 4.418 19.189 -4.968 1.00 5.32 H new ATOM 0 HB2 ARG A 122 1.936 18.445 -3.388 1.00 33.32 H new ATOM 0 HB3 ARG A 122 1.844 18.798 -5.102 1.00 33.32 H new ATOM 0 HG2 ARG A 122 3.638 16.664 -3.879 1.00 52.00 H new ATOM 0 HG3 ARG A 122 2.065 16.354 -4.587 1.00 52.00 H new ATOM 0 HD2 ARG A 122 4.328 17.699 -6.110 1.00 44.20 H new ATOM 0 HD3 ARG A 122 4.077 15.965 -6.114 1.00 44.20 H new ATOM 0 HE ARG A 122 1.876 16.339 -7.168 1.00 43.23 H new ATOM 0 HH11 ARG A 122 4.170 19.034 -7.170 1.00 24.14 H new ATOM 0 HH12 ARG A 122 3.388 19.838 -8.535 1.00 24.14 H new ATOM 0 HH21 ARG A 122 0.897 17.361 -8.905 1.00 51.20 H new ATOM 0 HH22 ARG A 122 1.536 18.890 -9.516 1.00 51.20 H new ATOM 1961 N ARG A 123 3.517 21.706 -3.412 1.00 34.32 N ATOM 1962 CA ARG A 123 3.190 23.118 -3.582 1.00 71.20 C ATOM 1963 C ARG A 123 4.326 24.023 -3.102 1.00 75.51 C ATOM 1964 O ARG A 123 4.421 25.173 -3.526 1.00 2.43 O ATOM 1965 CB ARG A 123 1.855 23.470 -2.896 1.00 43.10 C ATOM 1966 CG ARG A 123 1.954 24.168 -1.541 1.00 4.34 C ATOM 1967 CD ARG A 123 2.452 23.247 -0.440 1.00 53.34 C ATOM 1968 NE ARG A 123 1.780 23.509 0.837 1.00 33.02 N ATOM 1969 CZ ARG A 123 2.348 24.117 1.882 1.00 11.25 C ATOM 1970 NH1 ARG A 123 3.565 24.638 1.785 1.00 41.13 N ATOM 1971 NH2 ARG A 123 1.677 24.235 3.023 1.00 31.24 N ATOM 0 H ARG A 123 3.963 21.467 -2.526 1.00 34.32 H new ATOM 0 HA ARG A 123 3.067 23.298 -4.650 1.00 71.20 H new ATOM 0 HB2 ARG A 123 1.283 24.109 -3.569 1.00 43.10 H new ATOM 0 HB3 ARG A 123 1.284 22.551 -2.766 1.00 43.10 H new ATOM 0 HG2 ARG A 123 2.626 25.022 -1.626 1.00 4.34 H new ATOM 0 HG3 ARG A 123 0.974 24.559 -1.266 1.00 4.34 H new ATOM 0 HD2 ARG A 123 2.286 22.210 -0.731 1.00 53.34 H new ATOM 0 HD3 ARG A 123 3.527 23.376 -0.318 1.00 53.34 H new ATOM 0 HE ARG A 123 0.811 23.206 0.934 1.00 33.02 H new ATOM 0 HH11 ARG A 123 4.077 24.577 0.905 1.00 41.13 H new ATOM 0 HH12 ARG A 123 3.988 25.100 2.590 1.00 41.13 H new ATOM 0 HH21 ARG A 123 0.731 23.862 3.099 1.00 31.24 H new ATOM 0 HH22 ARG A 123 2.108 24.699 3.823 1.00 31.24 H new ATOM 1985 N ARG A 124 5.185 23.486 -2.232 1.00 73.33 N ATOM 1986 CA ARG A 124 6.321 24.223 -1.687 1.00 75.32 C ATOM 1987 C ARG A 124 5.891 25.569 -1.122 1.00 52.40 C ATOM 1988 O ARG A 124 6.399 26.605 -1.594 1.00 54.21 O ATOM 1989 CB ARG A 124 7.408 24.414 -2.750 1.00 23.12 C ATOM 1990 CG ARG A 124 8.213 23.158 -3.032 1.00 32.52 C ATOM 1991 CD ARG A 124 8.887 22.643 -1.770 1.00 33.24 C ATOM 1992 NE ARG A 124 9.616 23.704 -1.070 1.00 14.12 N ATOM 1993 CZ ARG A 124 10.364 23.514 0.014 1.00 4.43 C ATOM 1994 NH1 ARG A 124 10.535 22.294 0.509 1.00 72.11 N ATOM 1995 NH2 ARG A 124 10.960 24.545 0.597 1.00 13.41 N ATOM 0 H ARG A 124 5.110 22.529 -1.888 1.00 73.33 H new ATOM 0 HA ARG A 124 6.734 23.631 -0.870 1.00 75.32 H new ATOM 0 HB2 ARG A 124 6.943 24.752 -3.676 1.00 23.12 H new ATOM 0 HB3 ARG A 124 8.085 25.204 -2.426 1.00 23.12 H new ATOM 0 HG2 ARG A 124 7.559 22.387 -3.439 1.00 32.52 H new ATOM 0 HG3 ARG A 124 8.967 23.369 -3.790 1.00 32.52 H new ATOM 0 HD2 ARG A 124 8.136 22.218 -1.104 1.00 33.24 H new ATOM 0 HD3 ARG A 124 9.576 21.838 -2.028 1.00 33.24 H new ATOM 0 HE ARG A 124 9.545 24.652 -1.439 1.00 14.12 H new ATOM 0 HH11 ARG A 124 10.091 21.494 0.058 1.00 72.11 H new ATOM 0 HH12 ARG A 124 11.110 22.157 1.340 1.00 72.11 H new ATOM 0 HH21 ARG A 124 10.845 25.484 0.215 1.00 13.41 H new ATOM 0 HH22 ARG A 124 11.533 24.400 1.428 1.00 13.41 H new TER 2009 ARG A 124