USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 905 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 90 SER OG : rot 39:sc= 0.324 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.522 K(o=0.85,f=0.25) USER MOD Set 2.1: A 58 ASN : amide:sc= -0.223 K(o=-2.5,f=-10!) USER MOD Set 2.2: A 82 HIS : no HE2:sc= -2.24 X(o=-2.5,f=-2.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0122 (180deg=-0.211) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc= -0.0261 (180deg=-0.255) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 30:sc= 0.375 USER MOD Single : A 13 SER OG : rot -25:sc= -0.153 USER MOD Single : A 14 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.68) USER MOD Single : A 15 ASN : amide:sc= -0.0152 K(o=-0.015,f=-0.82) USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= 1.12 (180deg=0.659) USER MOD Single : A 25 THR OG1 : rot -166:sc= 0.942 USER MOD Single : A 27 HIS : no HE2:sc= 1.04 K(o=1,f=-4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.15) USER MOD Single : A 32 GLN : amide:sc= 0.155 K(o=0.15,f=-0.74) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -2.72 K(o=-2.7,f=-1) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.55 X(o=-2.6,f=-2.7!) USER MOD Single : A 45 MET CE :methyl -165:sc= -0.0271 (180deg=-0.356) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.0228 (180deg=-0.202) USER MOD Single : A 59 SER OG : rot 180:sc= -0.13 USER MOD Single : A 62 GLN : amide:sc= 0.112 K(o=0.11,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc=-0.00486 (180deg=-0.119) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= -0.0144 (180deg=-0.178) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -105:sc= -1.59! (180deg=-4.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= -0.0477 (180deg=-0.406) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 98:sc= 0.596 USER MOD Single : A 106 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.6!) USER MOD Single : A 109 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 111 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=-0.023) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-0.43) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.416 -22.314 -6.077 1.00 34.54 N ATOM 2 CA MET A 1 16.397 -21.867 -7.068 1.00 43.32 C ATOM 3 C MET A 1 16.307 -20.333 -7.146 1.00 24.14 C ATOM 4 O MET A 1 16.750 -19.727 -8.122 1.00 32.45 O ATOM 5 CB MET A 1 15.019 -22.452 -6.723 1.00 14.14 C ATOM 6 CG MET A 1 14.968 -23.974 -6.751 1.00 71.33 C ATOM 7 SD MET A 1 13.343 -24.623 -6.314 1.00 51.20 S ATOM 8 CE MET A 1 13.662 -26.387 -6.358 1.00 33.12 C ATOM 0 H1 MET A 1 17.593 -23.332 -6.196 1.00 34.54 H new ATOM 0 H2 MET A 1 18.301 -21.789 -6.228 1.00 34.54 H new ATOM 0 H3 MET A 1 17.067 -22.134 -5.114 1.00 34.54 H new ATOM 0 HA MET A 1 16.713 -22.235 -8.044 1.00 43.32 H new ATOM 0 HB2 MET A 1 14.727 -22.107 -5.731 1.00 14.14 H new ATOM 0 HB3 MET A 1 14.283 -22.061 -7.426 1.00 14.14 H new ATOM 0 HG2 MET A 1 15.239 -24.324 -7.747 1.00 71.33 H new ATOM 0 HG3 MET A 1 15.711 -24.371 -6.060 1.00 71.33 H new ATOM 0 HE1 MET A 1 12.749 -26.928 -6.109 1.00 33.12 H new ATOM 0 HE2 MET A 1 13.992 -26.672 -7.357 1.00 33.12 H new ATOM 0 HE3 MET A 1 14.439 -26.634 -5.635 1.00 33.12 H new ATOM 20 N LYS A 2 15.746 -19.705 -6.108 1.00 72.23 N ATOM 21 CA LYS A 2 15.481 -18.257 -6.129 1.00 32.00 C ATOM 22 C LYS A 2 16.274 -17.504 -5.048 1.00 44.14 C ATOM 23 O LYS A 2 16.018 -17.661 -3.851 1.00 3.22 O ATOM 24 CB LYS A 2 13.980 -17.994 -5.939 1.00 52.31 C ATOM 25 CG LYS A 2 13.096 -18.706 -6.956 1.00 23.25 C ATOM 26 CD LYS A 2 11.620 -18.352 -6.774 1.00 30.42 C ATOM 27 CE LYS A 2 10.735 -19.091 -7.772 1.00 21.14 C ATOM 28 NZ LYS A 2 11.144 -18.836 -9.178 1.00 4.21 N ATOM 0 H LYS A 2 15.466 -20.171 -5.245 1.00 72.23 H new ATOM 0 HA LYS A 2 15.806 -17.884 -7.100 1.00 32.00 H new ATOM 0 HB2 LYS A 2 13.690 -18.308 -4.936 1.00 52.31 H new ATOM 0 HB3 LYS A 2 13.798 -16.921 -6.002 1.00 52.31 H new ATOM 0 HG2 LYS A 2 13.412 -18.437 -7.964 1.00 23.25 H new ATOM 0 HG3 LYS A 2 13.226 -19.784 -6.858 1.00 23.25 H new ATOM 0 HD2 LYS A 2 11.309 -18.600 -5.759 1.00 30.42 H new ATOM 0 HD3 LYS A 2 11.486 -17.277 -6.895 1.00 30.42 H new ATOM 0 HE2 LYS A 2 10.778 -20.161 -7.571 1.00 21.14 H new ATOM 0 HE3 LYS A 2 9.699 -18.782 -7.635 1.00 21.14 H new ATOM 0 HZ1 LYS A 2 10.414 -19.200 -9.823 1.00 4.21 H new ATOM 0 HZ2 LYS A 2 11.259 -17.813 -9.326 1.00 4.21 H new ATOM 0 HZ3 LYS A 2 12.046 -19.317 -9.370 1.00 4.21 H new ATOM 42 N ASN A 3 17.236 -16.691 -5.476 1.00 51.33 N ATOM 43 CA ASN A 3 17.990 -15.822 -4.564 1.00 13.22 C ATOM 44 C ASN A 3 17.952 -14.370 -5.057 1.00 55.25 C ATOM 45 O ASN A 3 18.571 -14.029 -6.064 1.00 12.43 O ATOM 46 CB ASN A 3 19.442 -16.304 -4.434 1.00 4.24 C ATOM 47 CG ASN A 3 19.527 -17.714 -3.883 1.00 22.35 C ATOM 48 OD1 ASN A 3 19.575 -18.686 -4.631 1.00 45.51 O ATOM 49 ND2 ASN A 3 19.530 -17.840 -2.571 1.00 43.44 N ATOM 0 H ASN A 3 17.516 -16.613 -6.454 1.00 51.33 H new ATOM 0 HA ASN A 3 17.523 -15.869 -3.580 1.00 13.22 H new ATOM 0 HB2 ASN A 3 19.925 -16.267 -5.411 1.00 4.24 H new ATOM 0 HB3 ASN A 3 19.992 -15.626 -3.781 1.00 4.24 H new ATOM 0 HD21 ASN A 3 19.573 -18.767 -2.148 1.00 43.44 H new ATOM 0 HD22 ASN A 3 19.489 -17.010 -1.979 1.00 43.44 H new ATOM 56 N THR A 4 17.209 -13.523 -4.352 1.00 23.21 N ATOM 57 CA THR A 4 17.050 -12.116 -4.745 1.00 52.44 C ATOM 58 C THR A 4 17.840 -11.174 -3.828 1.00 23.13 C ATOM 59 O THR A 4 17.587 -11.103 -2.624 1.00 41.41 O ATOM 60 CB THR A 4 15.560 -11.694 -4.722 1.00 74.34 C ATOM 61 OG1 THR A 4 14.994 -11.935 -3.424 1.00 14.53 O ATOM 62 CG2 THR A 4 14.758 -12.453 -5.776 1.00 12.35 C ATOM 0 H THR A 4 16.705 -13.781 -3.504 1.00 23.21 H new ATOM 0 HA THR A 4 17.440 -12.034 -5.759 1.00 52.44 H new ATOM 0 HB THR A 4 15.512 -10.629 -4.947 1.00 74.34 H new ATOM 0 HG1 THR A 4 15.692 -11.850 -2.742 1.00 14.53 H new ATOM 0 HG21 THR A 4 13.716 -12.137 -5.737 1.00 12.35 H new ATOM 0 HG22 THR A 4 15.165 -12.242 -6.765 1.00 12.35 H new ATOM 0 HG23 THR A 4 14.820 -13.523 -5.579 1.00 12.35 H new ATOM 70 N GLY A 5 18.801 -10.455 -4.406 1.00 32.42 N ATOM 71 CA GLY A 5 19.574 -9.473 -3.648 1.00 51.24 C ATOM 72 C GLY A 5 18.856 -8.134 -3.503 1.00 74.14 C ATOM 73 O GLY A 5 19.211 -7.315 -2.649 1.00 34.22 O ATOM 0 H GLY A 5 19.061 -10.533 -5.389 1.00 32.42 H new ATOM 0 HA2 GLY A 5 19.788 -9.874 -2.657 1.00 51.24 H new ATOM 0 HA3 GLY A 5 20.533 -9.314 -4.142 1.00 51.24 H new ATOM 77 N ASP A 6 17.848 -7.906 -4.346 1.00 32.24 N ATOM 78 CA ASP A 6 17.059 -6.671 -4.303 1.00 53.02 C ATOM 79 C ASP A 6 16.143 -6.635 -3.068 1.00 63.22 C ATOM 80 O ASP A 6 14.974 -7.010 -3.140 1.00 72.14 O ATOM 81 CB ASP A 6 16.211 -6.541 -5.574 1.00 71.44 C ATOM 82 CG ASP A 6 17.022 -6.764 -6.833 1.00 31.31 C ATOM 83 OD1 ASP A 6 17.618 -5.795 -7.346 1.00 21.12 O ATOM 84 OD2 ASP A 6 17.076 -7.918 -7.313 1.00 23.44 O ATOM 0 H ASP A 6 17.557 -8.563 -5.070 1.00 32.24 H new ATOM 0 HA ASP A 6 17.755 -5.834 -4.240 1.00 53.02 H new ATOM 0 HB2 ASP A 6 15.394 -7.262 -5.538 1.00 71.44 H new ATOM 0 HB3 ASP A 6 15.759 -5.550 -5.607 1.00 71.44 H new ATOM 89 N GLU A 7 16.691 -6.215 -1.933 1.00 40.43 N ATOM 90 CA GLU A 7 15.921 -6.126 -0.687 1.00 64.21 C ATOM 91 C GLU A 7 15.064 -4.853 -0.651 1.00 20.00 C ATOM 92 O GLU A 7 15.575 -3.748 -0.457 1.00 2.11 O ATOM 93 CB GLU A 7 16.877 -6.169 0.513 1.00 55.51 C ATOM 94 CG GLU A 7 17.732 -7.434 0.557 1.00 21.44 C ATOM 95 CD GLU A 7 18.755 -7.426 1.682 1.00 62.03 C ATOM 96 OE1 GLU A 7 18.422 -7.873 2.798 1.00 3.03 O ATOM 97 OE2 GLU A 7 19.901 -6.976 1.450 1.00 1.24 O ATOM 0 H GLU A 7 17.666 -5.929 -1.845 1.00 40.43 H new ATOM 0 HA GLU A 7 15.243 -6.978 -0.637 1.00 64.21 H new ATOM 0 HB2 GLU A 7 17.531 -5.297 0.480 1.00 55.51 H new ATOM 0 HB3 GLU A 7 16.298 -6.098 1.433 1.00 55.51 H new ATOM 0 HG2 GLU A 7 17.081 -8.301 0.672 1.00 21.44 H new ATOM 0 HG3 GLU A 7 18.250 -7.548 -0.395 1.00 21.44 H new ATOM 104 N VAL A 8 13.756 -5.010 -0.857 1.00 2.13 N ATOM 105 CA VAL A 8 12.834 -3.869 -0.896 1.00 14.45 C ATOM 106 C VAL A 8 11.731 -3.971 0.171 1.00 14.13 C ATOM 107 O VAL A 8 11.248 -5.061 0.499 1.00 2.22 O ATOM 108 CB VAL A 8 12.181 -3.721 -2.296 1.00 12.34 C ATOM 109 CG1 VAL A 8 13.250 -3.509 -3.371 1.00 21.10 C ATOM 110 CG2 VAL A 8 11.308 -4.932 -2.629 1.00 20.31 C ATOM 0 H VAL A 8 13.309 -5.916 -1.000 1.00 2.13 H new ATOM 0 HA VAL A 8 13.435 -2.986 -0.681 1.00 14.45 H new ATOM 0 HB VAL A 8 11.537 -2.842 -2.275 1.00 12.34 H new ATOM 0 HG11 VAL A 8 12.771 -3.408 -4.345 1.00 21.10 H new ATOM 0 HG12 VAL A 8 13.815 -2.604 -3.148 1.00 21.10 H new ATOM 0 HG13 VAL A 8 13.926 -4.364 -3.386 1.00 21.10 H new ATOM 0 HG21 VAL A 8 10.864 -4.800 -3.616 1.00 20.31 H new ATOM 0 HG22 VAL A 8 11.920 -5.834 -2.624 1.00 20.31 H new ATOM 0 HG23 VAL A 8 10.517 -5.026 -1.885 1.00 20.31 H new ATOM 120 N VAL A 9 11.345 -2.819 0.713 1.00 50.02 N ATOM 121 CA VAL A 9 10.269 -2.729 1.703 1.00 71.04 C ATOM 122 C VAL A 9 9.190 -1.724 1.250 1.00 42.21 C ATOM 123 O VAL A 9 9.502 -0.622 0.787 1.00 51.23 O ATOM 124 CB VAL A 9 10.813 -2.315 3.100 1.00 12.33 C ATOM 125 CG1 VAL A 9 11.806 -3.348 3.630 1.00 10.21 C ATOM 126 CG2 VAL A 9 11.457 -0.931 3.051 1.00 72.42 C ATOM 0 H VAL A 9 11.768 -1.920 0.480 1.00 50.02 H new ATOM 0 HA VAL A 9 9.823 -3.720 1.785 1.00 71.04 H new ATOM 0 HB VAL A 9 9.966 -2.273 3.785 1.00 12.33 H new ATOM 0 HG11 VAL A 9 12.171 -3.034 4.608 1.00 10.21 H new ATOM 0 HG12 VAL A 9 11.311 -4.315 3.721 1.00 10.21 H new ATOM 0 HG13 VAL A 9 12.645 -3.433 2.940 1.00 10.21 H new ATOM 0 HG21 VAL A 9 11.828 -0.667 4.041 1.00 72.42 H new ATOM 0 HG22 VAL A 9 12.286 -0.940 2.343 1.00 72.42 H new ATOM 0 HG23 VAL A 9 10.717 -0.196 2.734 1.00 72.42 H new ATOM 136 N ALA A 10 7.923 -2.113 1.369 1.00 11.43 N ATOM 137 CA ALA A 10 6.809 -1.259 0.947 1.00 40.40 C ATOM 138 C ALA A 10 6.350 -0.327 2.077 1.00 3.02 C ATOM 139 O ALA A 10 5.846 -0.783 3.106 1.00 35.02 O ATOM 140 CB ALA A 10 5.644 -2.119 0.466 1.00 52.30 C ATOM 0 H ALA A 10 7.639 -3.014 1.754 1.00 11.43 H new ATOM 0 HA ALA A 10 7.160 -0.634 0.126 1.00 40.40 H new ATOM 0 HB1 ALA A 10 4.821 -1.476 0.155 1.00 52.30 H new ATOM 0 HB2 ALA A 10 5.966 -2.730 -0.377 1.00 52.30 H new ATOM 0 HB3 ALA A 10 5.311 -2.767 1.277 1.00 52.30 H new ATOM 146 N ILE A 11 6.530 0.975 1.883 1.00 11.24 N ATOM 147 CA ILE A 11 6.097 1.972 2.866 1.00 61.23 C ATOM 148 C ILE A 11 4.727 2.551 2.477 1.00 62.32 C ATOM 149 O ILE A 11 4.467 2.813 1.302 1.00 73.32 O ATOM 150 CB ILE A 11 7.122 3.133 2.989 1.00 70.24 C ATOM 151 CG1 ILE A 11 8.559 2.587 3.110 1.00 44.34 C ATOM 152 CG2 ILE A 11 6.784 4.026 4.185 1.00 61.23 C ATOM 153 CD1 ILE A 11 8.792 1.693 4.313 1.00 4.43 C ATOM 0 H ILE A 11 6.973 1.369 1.053 1.00 11.24 H new ATOM 0 HA ILE A 11 6.024 1.466 3.829 1.00 61.23 H new ATOM 0 HB ILE A 11 7.062 3.735 2.082 1.00 70.24 H new ATOM 0 HG12 ILE A 11 8.799 2.028 2.206 1.00 44.34 H new ATOM 0 HG13 ILE A 11 9.251 3.428 3.158 1.00 44.34 H new ATOM 0 HG21 ILE A 11 7.513 4.833 4.254 1.00 61.23 H new ATOM 0 HG22 ILE A 11 5.787 4.448 4.054 1.00 61.23 H new ATOM 0 HG23 ILE A 11 6.810 3.434 5.100 1.00 61.23 H new ATOM 0 HD11 ILE A 11 9.828 1.354 4.319 1.00 4.43 H new ATOM 0 HD12 ILE A 11 8.587 2.251 5.226 1.00 4.43 H new ATOM 0 HD13 ILE A 11 8.129 0.830 4.259 1.00 4.43 H new ATOM 165 N ILE A 12 3.842 2.714 3.460 1.00 23.25 N ATOM 166 CA ILE A 12 2.515 3.295 3.220 1.00 11.22 C ATOM 167 C ILE A 12 2.295 4.550 4.087 1.00 64.22 C ATOM 168 O ILE A 12 2.316 4.483 5.324 1.00 72.34 O ATOM 169 CB ILE A 12 1.362 2.282 3.498 1.00 71.13 C ATOM 170 CG1 ILE A 12 1.468 1.032 2.596 1.00 24.44 C ATOM 171 CG2 ILE A 12 0.004 2.959 3.305 1.00 50.20 C ATOM 172 CD1 ILE A 12 2.519 0.029 3.032 1.00 23.14 C ATOM 0 H ILE A 12 4.017 2.453 4.430 1.00 23.25 H new ATOM 0 HA ILE A 12 2.490 3.564 2.164 1.00 11.22 H new ATOM 0 HB ILE A 12 1.455 1.952 4.533 1.00 71.13 H new ATOM 0 HG12 ILE A 12 0.498 0.535 2.570 1.00 24.44 H new ATOM 0 HG13 ILE A 12 1.690 1.352 1.578 1.00 24.44 H new ATOM 0 HG21 ILE A 12 -0.792 2.241 3.502 1.00 50.20 H new ATOM 0 HG22 ILE A 12 -0.085 3.798 3.995 1.00 50.20 H new ATOM 0 HG23 ILE A 12 -0.080 3.321 2.280 1.00 50.20 H new ATOM 0 HD11 ILE A 12 2.524 -0.815 2.343 1.00 23.14 H new ATOM 0 HD12 ILE A 12 3.499 0.505 3.030 1.00 23.14 H new ATOM 0 HD13 ILE A 12 2.290 -0.325 4.037 1.00 23.14 H new ATOM 184 N SER A 13 2.086 5.691 3.433 1.00 1.32 N ATOM 185 CA SER A 13 1.809 6.958 4.126 1.00 3.31 C ATOM 186 C SER A 13 0.372 7.443 3.856 1.00 75.05 C ATOM 187 O SER A 13 -0.226 7.122 2.831 1.00 32.11 O ATOM 188 CB SER A 13 2.816 8.040 3.694 1.00 10.23 C ATOM 189 OG SER A 13 2.663 8.386 2.326 1.00 4.24 O ATOM 0 H SER A 13 2.103 5.769 2.416 1.00 1.32 H new ATOM 0 HA SER A 13 1.913 6.778 5.196 1.00 3.31 H new ATOM 0 HB2 SER A 13 2.682 8.929 4.311 1.00 10.23 H new ATOM 0 HB3 SER A 13 3.831 7.682 3.867 1.00 10.23 H new ATOM 0 HG SER A 13 2.260 7.635 1.842 1.00 4.24 H new ATOM 195 N GLN A 14 -0.179 8.206 4.795 1.00 11.20 N ATOM 196 CA GLN A 14 -1.523 8.771 4.654 1.00 15.03 C ATOM 197 C GLN A 14 -1.650 10.083 5.443 1.00 21.53 C ATOM 198 O GLN A 14 -1.085 10.219 6.531 1.00 5.33 O ATOM 199 CB GLN A 14 -2.578 7.768 5.140 1.00 21.34 C ATOM 200 CG GLN A 14 -4.016 8.259 4.988 1.00 52.31 C ATOM 201 CD GLN A 14 -5.041 7.273 5.522 1.00 10.34 C ATOM 202 OE1 GLN A 14 -4.782 6.531 6.461 1.00 50.44 O ATOM 203 NE2 GLN A 14 -6.217 7.255 4.921 1.00 63.43 N ATOM 0 H GLN A 14 0.286 8.450 5.669 1.00 11.20 H new ATOM 0 HA GLN A 14 -1.691 8.982 3.598 1.00 15.03 H new ATOM 0 HB2 GLN A 14 -2.462 6.837 4.586 1.00 21.34 H new ATOM 0 HB3 GLN A 14 -2.392 7.540 6.189 1.00 21.34 H new ATOM 0 HG2 GLN A 14 -4.127 9.209 5.512 1.00 52.31 H new ATOM 0 HG3 GLN A 14 -4.219 8.450 3.934 1.00 52.31 H new ATOM 0 HE21 GLN A 14 -6.401 7.886 4.141 1.00 63.43 H new ATOM 0 HE22 GLN A 14 -6.941 6.610 5.237 1.00 63.43 H new ATOM 212 N ASN A 15 -2.378 11.051 4.877 1.00 11.55 N ATOM 213 CA ASN A 15 -2.619 12.349 5.535 1.00 40.21 C ATOM 214 C ASN A 15 -1.313 13.113 5.837 1.00 63.41 C ATOM 215 O ASN A 15 -1.324 14.091 6.586 1.00 64.41 O ATOM 216 CB ASN A 15 -3.433 12.159 6.827 1.00 11.03 C ATOM 217 CG ASN A 15 -4.866 11.729 6.563 1.00 10.34 C ATOM 218 OD1 ASN A 15 -5.473 12.112 5.569 1.00 52.24 O ATOM 219 ND2 ASN A 15 -5.422 10.938 7.457 1.00 71.11 N ATOM 0 H ASN A 15 -2.815 10.964 3.959 1.00 11.55 H new ATOM 0 HA ASN A 15 -3.192 12.955 4.833 1.00 40.21 H new ATOM 0 HB2 ASN A 15 -2.944 11.412 7.452 1.00 11.03 H new ATOM 0 HB3 ASN A 15 -3.437 13.093 7.389 1.00 11.03 H new ATOM 0 HD21 ASN A 15 -6.385 10.626 7.333 1.00 71.11 H new ATOM 0 HD22 ASN A 15 -4.889 10.637 8.273 1.00 71.11 H new ATOM 226 N GLY A 16 -0.198 12.688 5.238 1.00 24.14 N ATOM 227 CA GLY A 16 1.077 13.376 5.442 1.00 3.40 C ATOM 228 C GLY A 16 2.006 12.689 6.445 1.00 71.45 C ATOM 229 O GLY A 16 3.015 13.267 6.853 1.00 11.23 O ATOM 0 H GLY A 16 -0.152 11.881 4.616 1.00 24.14 H new ATOM 0 HA2 GLY A 16 1.591 13.457 4.484 1.00 3.40 H new ATOM 0 HA3 GLY A 16 0.878 14.392 5.784 1.00 3.40 H new ATOM 233 N LYS A 17 1.671 11.462 6.847 1.00 20.31 N ATOM 234 CA LYS A 17 2.515 10.694 7.780 1.00 22.33 C ATOM 235 C LYS A 17 2.464 9.188 7.475 1.00 62.13 C ATOM 236 O LYS A 17 1.463 8.682 6.975 1.00 72.24 O ATOM 237 CB LYS A 17 2.075 10.931 9.235 1.00 30.04 C ATOM 238 CG LYS A 17 0.680 10.390 9.555 1.00 72.42 C ATOM 239 CD LYS A 17 0.336 10.520 11.036 1.00 55.51 C ATOM 240 CE LYS A 17 1.278 9.706 11.920 1.00 23.55 C ATOM 241 NZ LYS A 17 1.209 8.247 11.631 1.00 25.20 N ATOM 0 H LYS A 17 0.826 10.976 6.546 1.00 20.31 H new ATOM 0 HA LYS A 17 3.539 11.044 7.649 1.00 22.33 H new ATOM 0 HB2 LYS A 17 2.798 10.464 9.904 1.00 30.04 H new ATOM 0 HB3 LYS A 17 2.095 12.001 9.441 1.00 30.04 H new ATOM 0 HG2 LYS A 17 -0.061 10.928 8.963 1.00 72.42 H new ATOM 0 HG3 LYS A 17 0.623 9.342 9.261 1.00 72.42 H new ATOM 0 HD2 LYS A 17 0.383 11.569 11.327 1.00 55.51 H new ATOM 0 HD3 LYS A 17 -0.690 10.189 11.200 1.00 55.51 H new ATOM 0 HE2 LYS A 17 2.300 10.054 11.774 1.00 23.55 H new ATOM 0 HE3 LYS A 17 1.029 9.878 12.967 1.00 23.55 H new ATOM 0 HZ1 LYS A 17 1.534 7.713 12.462 1.00 25.20 H new ATOM 0 HZ2 LYS A 17 0.227 7.983 11.412 1.00 25.20 H new ATOM 0 HZ3 LYS A 17 1.817 8.025 10.817 1.00 25.20 H new ATOM 255 N VAL A 18 3.543 8.473 7.786 1.00 30.23 N ATOM 256 CA VAL A 18 3.571 7.014 7.620 1.00 65.05 C ATOM 257 C VAL A 18 2.565 6.334 8.567 1.00 2.14 C ATOM 258 O VAL A 18 2.436 6.721 9.732 1.00 4.10 O ATOM 259 CB VAL A 18 4.993 6.443 7.875 1.00 12.11 C ATOM 260 CG1 VAL A 18 5.023 4.924 7.682 1.00 64.45 C ATOM 261 CG2 VAL A 18 6.019 7.129 6.971 1.00 31.32 C ATOM 0 H VAL A 18 4.407 8.873 8.152 1.00 30.23 H new ATOM 0 HA VAL A 18 3.290 6.801 6.589 1.00 65.05 H new ATOM 0 HB VAL A 18 5.258 6.650 8.912 1.00 12.11 H new ATOM 0 HG11 VAL A 18 6.031 4.554 7.867 1.00 64.45 H new ATOM 0 HG12 VAL A 18 4.330 4.455 8.380 1.00 64.45 H new ATOM 0 HG13 VAL A 18 4.729 4.681 6.661 1.00 64.45 H new ATOM 0 HG21 VAL A 18 7.009 6.715 7.165 1.00 31.32 H new ATOM 0 HG22 VAL A 18 5.754 6.962 5.927 1.00 31.32 H new ATOM 0 HG23 VAL A 18 6.027 8.199 7.176 1.00 31.32 H new ATOM 271 N ILE A 19 1.830 5.346 8.053 1.00 24.55 N ATOM 272 CA ILE A 19 0.841 4.615 8.858 1.00 44.51 C ATOM 273 C ILE A 19 1.183 3.119 8.979 1.00 24.43 C ATOM 274 O ILE A 19 0.722 2.442 9.904 1.00 45.31 O ATOM 275 CB ILE A 19 -0.586 4.765 8.267 1.00 31.30 C ATOM 276 CG1 ILE A 19 -0.645 4.196 6.835 1.00 52.34 C ATOM 277 CG2 ILE A 19 -1.023 6.230 8.288 1.00 43.05 C ATOM 278 CD1 ILE A 19 -2.028 4.233 6.215 1.00 22.10 C ATOM 0 H ILE A 19 1.898 5.032 7.085 1.00 24.55 H new ATOM 0 HA ILE A 19 0.870 5.058 9.854 1.00 44.51 H new ATOM 0 HB ILE A 19 -1.277 4.193 8.887 1.00 31.30 H new ATOM 0 HG12 ILE A 19 0.041 4.759 6.202 1.00 52.34 H new ATOM 0 HG13 ILE A 19 -0.292 3.165 6.850 1.00 52.34 H new ATOM 0 HG21 ILE A 19 -2.026 6.317 7.870 1.00 43.05 H new ATOM 0 HG22 ILE A 19 -1.025 6.594 9.315 1.00 43.05 H new ATOM 0 HG23 ILE A 19 -0.330 6.825 7.694 1.00 43.05 H new ATOM 0 HD11 ILE A 19 -1.987 3.816 5.209 1.00 22.10 H new ATOM 0 HD12 ILE A 19 -2.715 3.645 6.824 1.00 22.10 H new ATOM 0 HD13 ILE A 19 -2.377 5.264 6.166 1.00 22.10 H new ATOM 290 N ARG A 20 1.981 2.602 8.040 1.00 13.13 N ATOM 291 CA ARG A 20 2.371 1.185 8.050 1.00 21.21 C ATOM 292 C ARG A 20 3.493 0.905 7.029 1.00 20.33 C ATOM 293 O ARG A 20 3.539 1.521 5.965 1.00 74.40 O ATOM 294 CB ARG A 20 1.145 0.305 7.744 1.00 74.05 C ATOM 295 CG ARG A 20 1.371 -1.191 7.957 1.00 33.42 C ATOM 296 CD ARG A 20 1.771 -1.510 9.395 1.00 75.02 C ATOM 297 NE ARG A 20 0.818 -0.978 10.370 1.00 53.23 N ATOM 298 CZ ARG A 20 0.966 -1.067 11.667 1.00 52.23 C ATOM 299 NH1 ARG A 20 2.024 -1.613 12.177 1.00 34.55 N ATOM 300 NH2 ARG A 20 0.062 -0.584 12.454 1.00 73.11 N ATOM 0 H ARG A 20 2.369 3.140 7.265 1.00 13.13 H new ATOM 0 HA ARG A 20 2.753 0.944 9.042 1.00 21.21 H new ATOM 0 HB2 ARG A 20 0.316 0.628 8.373 1.00 74.05 H new ATOM 0 HB3 ARG A 20 0.844 0.471 6.710 1.00 74.05 H new ATOM 0 HG2 ARG A 20 0.461 -1.735 7.705 1.00 33.42 H new ATOM 0 HG3 ARG A 20 2.149 -1.540 7.278 1.00 33.42 H new ATOM 0 HD2 ARG A 20 1.847 -2.591 9.517 1.00 75.02 H new ATOM 0 HD3 ARG A 20 2.760 -1.097 9.594 1.00 75.02 H new ATOM 0 HE ARG A 20 -0.015 -0.508 10.016 1.00 53.23 H new ATOM 0 HH11 ARG A 20 2.754 -1.980 11.566 1.00 34.55 H new ATOM 0 HH12 ARG A 20 2.127 -1.676 13.190 1.00 34.55 H new ATOM 0 HH21 ARG A 20 -0.766 -0.134 12.064 1.00 73.11 H new ATOM 0 HH22 ARG A 20 0.176 -0.653 13.465 1.00 73.11 H new ATOM 314 N GLU A 21 4.401 -0.012 7.368 1.00 54.33 N ATOM 315 CA GLU A 21 5.479 -0.426 6.454 1.00 33.32 C ATOM 316 C GLU A 21 5.683 -1.955 6.486 1.00 22.31 C ATOM 317 O GLU A 21 5.824 -2.552 7.556 1.00 73.20 O ATOM 318 CB GLU A 21 6.788 0.297 6.816 1.00 12.23 C ATOM 319 CG GLU A 21 7.287 0.024 8.233 1.00 53.35 C ATOM 320 CD GLU A 21 8.547 0.803 8.581 1.00 54.14 C ATOM 321 OE1 GLU A 21 9.623 0.491 8.028 1.00 30.41 O ATOM 322 OE2 GLU A 21 8.466 1.729 9.419 1.00 10.50 O ATOM 0 H GLU A 21 4.415 -0.486 8.271 1.00 54.33 H new ATOM 0 HA GLU A 21 5.189 -0.149 5.441 1.00 33.32 H new ATOM 0 HB2 GLU A 21 7.561 -0.001 6.108 1.00 12.23 H new ATOM 0 HB3 GLU A 21 6.641 1.370 6.696 1.00 12.23 H new ATOM 0 HG2 GLU A 21 6.501 0.279 8.944 1.00 53.35 H new ATOM 0 HG3 GLU A 21 7.484 -1.042 8.344 1.00 53.35 H new ATOM 329 N ILE A 22 5.676 -2.585 5.305 1.00 61.51 N ATOM 330 CA ILE A 22 5.813 -4.049 5.194 1.00 55.14 C ATOM 331 C ILE A 22 6.997 -4.444 4.288 1.00 41.14 C ATOM 332 O ILE A 22 7.027 -4.087 3.109 1.00 3.04 O ATOM 333 CB ILE A 22 4.526 -4.718 4.622 1.00 31.13 C ATOM 334 CG1 ILE A 22 3.282 -4.386 5.471 1.00 72.14 C ATOM 335 CG2 ILE A 22 4.705 -6.236 4.519 1.00 31.12 C ATOM 336 CD1 ILE A 22 2.707 -3.003 5.230 1.00 64.43 C ATOM 0 H ILE A 22 5.577 -2.106 4.410 1.00 61.51 H new ATOM 0 HA ILE A 22 5.987 -4.404 6.210 1.00 55.14 H new ATOM 0 HB ILE A 22 4.367 -4.311 3.623 1.00 31.13 H new ATOM 0 HG12 ILE A 22 2.510 -5.127 5.267 1.00 72.14 H new ATOM 0 HG13 ILE A 22 3.542 -4.479 6.525 1.00 72.14 H new ATOM 0 HG21 ILE A 22 3.796 -6.683 4.118 1.00 31.12 H new ATOM 0 HG22 ILE A 22 5.542 -6.460 3.857 1.00 31.12 H new ATOM 0 HG23 ILE A 22 4.905 -6.647 5.509 1.00 31.12 H new ATOM 0 HD11 ILE A 22 1.836 -2.855 5.868 1.00 64.43 H new ATOM 0 HD12 ILE A 22 3.460 -2.250 5.463 1.00 64.43 H new ATOM 0 HD13 ILE A 22 2.412 -2.909 4.185 1.00 64.43 H new ATOM 348 N PRO A 23 7.990 -5.177 4.823 1.00 31.11 N ATOM 349 CA PRO A 23 9.082 -5.742 4.009 1.00 21.43 C ATOM 350 C PRO A 23 8.571 -6.741 2.958 1.00 40.35 C ATOM 351 O PRO A 23 7.777 -7.631 3.268 1.00 15.22 O ATOM 352 CB PRO A 23 9.973 -6.454 5.043 1.00 55.44 C ATOM 353 CG PRO A 23 9.615 -5.834 6.352 1.00 32.11 C ATOM 354 CD PRO A 23 8.155 -5.491 6.254 1.00 2.22 C ATOM 0 HA PRO A 23 9.603 -4.973 3.439 1.00 21.43 H new ATOM 0 HB2 PRO A 23 9.788 -7.528 5.051 1.00 55.44 H new ATOM 0 HB3 PRO A 23 11.030 -6.315 4.816 1.00 55.44 H new ATOM 0 HG2 PRO A 23 9.801 -6.523 7.176 1.00 32.11 H new ATOM 0 HG3 PRO A 23 10.215 -4.943 6.540 1.00 32.11 H new ATOM 0 HD2 PRO A 23 7.522 -6.324 6.561 1.00 2.22 H new ATOM 0 HD3 PRO A 23 7.895 -4.643 6.887 1.00 2.22 H new ATOM 362 N LEU A 24 9.024 -6.591 1.713 1.00 0.10 N ATOM 363 CA LEU A 24 8.582 -7.471 0.627 1.00 74.23 C ATOM 364 C LEU A 24 9.577 -8.619 0.393 1.00 15.10 C ATOM 365 O LEU A 24 9.237 -9.790 0.548 1.00 62.13 O ATOM 366 CB LEU A 24 8.399 -6.664 -0.668 1.00 4.21 C ATOM 367 CG LEU A 24 7.376 -5.518 -0.596 1.00 35.24 C ATOM 368 CD1 LEU A 24 7.306 -4.777 -1.928 1.00 54.01 C ATOM 369 CD2 LEU A 24 5.999 -6.046 -0.194 1.00 15.41 C ATOM 0 H LEU A 24 9.692 -5.874 1.431 1.00 0.10 H new ATOM 0 HA LEU A 24 7.627 -7.907 0.920 1.00 74.23 H new ATOM 0 HB2 LEU A 24 9.365 -6.248 -0.956 1.00 4.21 H new ATOM 0 HB3 LEU A 24 8.097 -7.347 -1.462 1.00 4.21 H new ATOM 0 HG LEU A 24 7.704 -4.814 0.169 1.00 35.24 H new ATOM 0 HD11 LEU A 24 6.577 -3.970 -1.857 1.00 54.01 H new ATOM 0 HD12 LEU A 24 8.285 -4.362 -2.165 1.00 54.01 H new ATOM 0 HD13 LEU A 24 7.006 -5.470 -2.714 1.00 54.01 H new ATOM 0 HD21 LEU A 24 5.291 -5.219 -0.149 1.00 15.41 H new ATOM 0 HD22 LEU A 24 5.660 -6.775 -0.930 1.00 15.41 H new ATOM 0 HD23 LEU A 24 6.063 -6.522 0.785 1.00 15.41 H new ATOM 381 N THR A 25 10.806 -8.273 0.027 1.00 61.11 N ATOM 382 CA THR A 25 11.845 -9.274 -0.262 1.00 34.11 C ATOM 383 C THR A 25 12.133 -10.159 0.957 1.00 41.41 C ATOM 384 O THR A 25 12.515 -9.663 2.017 1.00 62.44 O ATOM 385 CB THR A 25 13.162 -8.600 -0.707 1.00 40.33 C ATOM 386 OG1 THR A 25 12.887 -7.613 -1.714 1.00 2.52 O ATOM 387 CG2 THR A 25 14.149 -9.628 -1.255 1.00 33.03 C ATOM 0 H THR A 25 11.115 -7.307 -0.079 1.00 61.11 H new ATOM 0 HA THR A 25 11.461 -9.895 -1.071 1.00 34.11 H new ATOM 0 HB THR A 25 13.611 -8.123 0.164 1.00 40.33 H new ATOM 0 HG1 THR A 25 13.723 -7.353 -2.154 1.00 2.52 H new ATOM 0 HG21 THR A 25 15.066 -9.125 -1.560 1.00 33.03 H new ATOM 0 HG22 THR A 25 14.377 -10.361 -0.482 1.00 33.03 H new ATOM 0 HG23 THR A 25 13.709 -10.133 -2.115 1.00 33.03 H new ATOM 395 N GLY A 26 11.950 -11.468 0.802 1.00 34.51 N ATOM 396 CA GLY A 26 12.173 -12.397 1.907 1.00 45.14 C ATOM 397 C GLY A 26 10.922 -12.638 2.750 1.00 13.21 C ATOM 398 O GLY A 26 10.909 -13.512 3.622 1.00 3.33 O ATOM 0 H GLY A 26 11.651 -11.906 -0.069 1.00 34.51 H new ATOM 0 HA2 GLY A 26 12.524 -13.349 1.508 1.00 45.14 H new ATOM 0 HA3 GLY A 26 12.965 -12.008 2.547 1.00 45.14 H new ATOM 402 N HIS A 27 9.864 -11.866 2.491 1.00 23.43 N ATOM 403 CA HIS A 27 8.598 -12.013 3.214 1.00 13.35 C ATOM 404 C HIS A 27 7.798 -13.212 2.680 1.00 71.41 C ATOM 405 O HIS A 27 6.958 -13.075 1.792 1.00 71.15 O ATOM 406 CB HIS A 27 7.771 -10.723 3.107 1.00 14.54 C ATOM 407 CG HIS A 27 6.397 -10.824 3.700 1.00 33.41 C ATOM 408 ND1 HIS A 27 5.273 -11.071 2.946 1.00 20.01 N ATOM 409 CD2 HIS A 27 5.968 -10.713 4.980 1.00 63.35 C ATOM 410 CE1 HIS A 27 4.216 -11.106 3.726 1.00 54.33 C ATOM 411 NE2 HIS A 27 4.605 -10.894 4.966 1.00 30.14 N ATOM 0 H HIS A 27 9.859 -11.131 1.784 1.00 23.43 H new ATOM 0 HA HIS A 27 8.823 -12.198 4.264 1.00 13.35 H new ATOM 0 HB2 HIS A 27 8.311 -9.916 3.603 1.00 14.54 H new ATOM 0 HB3 HIS A 27 7.682 -10.448 2.056 1.00 14.54 H new ATOM 0 HD1 HIS A 27 5.262 -11.206 1.935 1.00 20.01 H new ATOM 0 HD2 HIS A 27 6.581 -10.519 5.848 1.00 63.35 H new ATOM 0 HE1 HIS A 27 3.200 -11.279 3.404 1.00 54.33 H new ATOM 420 N LYS A 28 8.082 -14.390 3.219 1.00 23.41 N ATOM 421 CA LYS A 28 7.414 -15.620 2.797 1.00 10.11 C ATOM 422 C LYS A 28 6.066 -15.794 3.518 1.00 55.02 C ATOM 423 O LYS A 28 6.007 -16.247 4.663 1.00 72.30 O ATOM 424 CB LYS A 28 8.339 -16.816 3.052 1.00 51.34 C ATOM 425 CG LYS A 28 9.656 -16.731 2.279 1.00 34.14 C ATOM 426 CD LYS A 28 10.689 -17.742 2.773 1.00 63.12 C ATOM 427 CE LYS A 28 10.217 -19.181 2.621 1.00 3.14 C ATOM 428 NZ LYS A 28 11.248 -20.143 3.089 1.00 2.25 N ATOM 0 H LYS A 28 8.775 -14.523 3.955 1.00 23.41 H new ATOM 0 HA LYS A 28 7.201 -15.560 1.730 1.00 10.11 H new ATOM 0 HB2 LYS A 28 8.554 -16.880 4.119 1.00 51.34 H new ATOM 0 HB3 LYS A 28 7.821 -17.734 2.775 1.00 51.34 H new ATOM 0 HG2 LYS A 28 9.464 -16.901 1.220 1.00 34.14 H new ATOM 0 HG3 LYS A 28 10.064 -15.724 2.372 1.00 34.14 H new ATOM 0 HD2 LYS A 28 11.618 -17.607 2.219 1.00 63.12 H new ATOM 0 HD3 LYS A 28 10.912 -17.545 3.822 1.00 63.12 H new ATOM 0 HE2 LYS A 28 9.298 -19.326 3.189 1.00 3.14 H new ATOM 0 HE3 LYS A 28 9.980 -19.379 1.576 1.00 3.14 H new ATOM 0 HZ1 LYS A 28 10.895 -21.114 2.972 1.00 2.25 H new ATOM 0 HZ2 LYS A 28 12.116 -20.020 2.530 1.00 2.25 H new ATOM 0 HZ3 LYS A 28 11.455 -19.969 4.093 1.00 2.25 H new ATOM 442 N GLY A 29 4.987 -15.414 2.836 1.00 63.04 N ATOM 443 CA GLY A 29 3.649 -15.490 3.416 1.00 21.34 C ATOM 444 C GLY A 29 2.690 -14.449 2.839 1.00 15.40 C ATOM 445 O GLY A 29 2.995 -13.791 1.846 1.00 22.10 O ATOM 0 H GLY A 29 5.014 -15.051 1.883 1.00 63.04 H new ATOM 0 HA2 GLY A 29 3.241 -16.486 3.246 1.00 21.34 H new ATOM 0 HA3 GLY A 29 3.718 -15.354 4.495 1.00 21.34 H new ATOM 449 N ASN A 30 1.535 -14.285 3.471 1.00 74.20 N ATOM 450 CA ASN A 30 0.513 -13.345 3.000 1.00 70.33 C ATOM 451 C ASN A 30 0.243 -12.257 4.052 1.00 23.13 C ATOM 452 O ASN A 30 0.308 -12.513 5.254 1.00 22.42 O ATOM 453 CB ASN A 30 -0.782 -14.106 2.675 1.00 11.23 C ATOM 454 CG ASN A 30 -1.846 -13.235 2.028 1.00 53.15 C ATOM 455 OD1 ASN A 30 -3.036 -13.408 2.269 1.00 11.41 O ATOM 456 ND2 ASN A 30 -1.441 -12.311 1.178 1.00 20.04 N ATOM 0 H ASN A 30 1.277 -14.792 4.317 1.00 74.20 H new ATOM 0 HA ASN A 30 0.879 -12.857 2.096 1.00 70.33 H new ATOM 0 HB2 ASN A 30 -0.549 -14.937 2.010 1.00 11.23 H new ATOM 0 HB3 ASN A 30 -1.183 -14.535 3.593 1.00 11.23 H new ATOM 0 HD21 ASN A 30 -2.124 -11.720 0.704 1.00 20.04 H new ATOM 0 HD22 ASN A 30 -0.445 -12.188 0.995 1.00 20.04 H new ATOM 463 N GLU A 31 -0.041 -11.040 3.591 1.00 21.40 N ATOM 464 CA GLU A 31 -0.332 -9.914 4.488 1.00 15.02 C ATOM 465 C GLU A 31 -1.394 -8.992 3.870 1.00 63.13 C ATOM 466 O GLU A 31 -1.180 -8.413 2.808 1.00 22.32 O ATOM 467 CB GLU A 31 0.952 -9.116 4.775 1.00 2.14 C ATOM 468 CG GLU A 31 0.758 -7.950 5.743 1.00 13.30 C ATOM 469 CD GLU A 31 0.394 -8.400 7.150 1.00 32.43 C ATOM 470 OE1 GLU A 31 -0.810 -8.577 7.437 1.00 54.51 O ATOM 471 OE2 GLU A 31 1.315 -8.584 7.976 1.00 23.21 O ATOM 0 H GLU A 31 -0.077 -10.804 2.599 1.00 21.40 H new ATOM 0 HA GLU A 31 -0.719 -10.313 5.425 1.00 15.02 H new ATOM 0 HB2 GLU A 31 1.704 -9.792 5.183 1.00 2.14 H new ATOM 0 HB3 GLU A 31 1.346 -8.732 3.834 1.00 2.14 H new ATOM 0 HG2 GLU A 31 1.674 -7.361 5.782 1.00 13.30 H new ATOM 0 HG3 GLU A 31 -0.026 -7.296 5.362 1.00 13.30 H new ATOM 478 N GLN A 32 -2.542 -8.871 4.531 1.00 40.42 N ATOM 479 CA GLN A 32 -3.629 -8.003 4.054 1.00 1.13 C ATOM 480 C GLN A 32 -4.092 -7.038 5.157 1.00 41.02 C ATOM 481 O GLN A 32 -4.373 -7.456 6.283 1.00 53.34 O ATOM 482 CB GLN A 32 -4.812 -8.859 3.573 1.00 23.23 C ATOM 483 CG GLN A 32 -4.496 -9.726 2.357 1.00 21.14 C ATOM 484 CD GLN A 32 -5.647 -10.642 1.975 1.00 52.30 C ATOM 485 OE1 GLN A 32 -6.414 -11.081 2.824 1.00 2.33 O ATOM 486 NE2 GLN A 32 -5.791 -10.923 0.696 1.00 60.11 N ATOM 0 H GLN A 32 -2.749 -9.362 5.401 1.00 40.42 H new ATOM 0 HA GLN A 32 -3.250 -7.410 3.221 1.00 1.13 H new ATOM 0 HB2 GLN A 32 -5.138 -9.502 4.390 1.00 23.23 H new ATOM 0 HB3 GLN A 32 -5.648 -8.202 3.331 1.00 23.23 H new ATOM 0 HG2 GLN A 32 -4.252 -9.083 1.511 1.00 21.14 H new ATOM 0 HG3 GLN A 32 -3.611 -10.328 2.565 1.00 21.14 H new ATOM 0 HE21 GLN A 32 -5.136 -10.542 0.013 1.00 60.11 H new ATOM 0 HE22 GLN A 32 -6.558 -11.521 0.388 1.00 60.11 H new ATOM 495 N PHE A 33 -4.173 -5.752 4.829 1.00 10.43 N ATOM 496 CA PHE A 33 -4.599 -4.732 5.795 1.00 24.43 C ATOM 497 C PHE A 33 -5.490 -3.671 5.130 1.00 73.22 C ATOM 498 O PHE A 33 -5.391 -3.420 3.926 1.00 31.40 O ATOM 499 CB PHE A 33 -3.378 -4.078 6.468 1.00 43.21 C ATOM 500 CG PHE A 33 -2.395 -3.438 5.514 1.00 3.10 C ATOM 501 CD1 PHE A 33 -1.464 -4.215 4.833 1.00 51.31 C ATOM 502 CD2 PHE A 33 -2.394 -2.065 5.305 1.00 70.02 C ATOM 503 CE1 PHE A 33 -0.557 -3.633 3.968 1.00 40.45 C ATOM 504 CE2 PHE A 33 -1.489 -1.481 4.440 1.00 61.44 C ATOM 505 CZ PHE A 33 -0.570 -2.264 3.772 1.00 31.10 C ATOM 0 H PHE A 33 -3.950 -5.387 3.903 1.00 10.43 H new ATOM 0 HA PHE A 33 -5.192 -5.227 6.565 1.00 24.43 H new ATOM 0 HB2 PHE A 33 -3.729 -3.320 7.168 1.00 43.21 H new ATOM 0 HB3 PHE A 33 -2.855 -4.834 7.053 1.00 43.21 H new ATOM 0 HD1 PHE A 33 -1.450 -5.285 4.982 1.00 51.31 H new ATOM 0 HD2 PHE A 33 -3.110 -1.446 5.825 1.00 70.02 H new ATOM 0 HE1 PHE A 33 0.162 -4.247 3.445 1.00 40.45 H new ATOM 0 HE2 PHE A 33 -1.501 -0.412 4.287 1.00 61.44 H new ATOM 0 HZ PHE A 33 0.139 -1.808 3.097 1.00 31.10 H new ATOM 515 N THR A 34 -6.362 -3.050 5.922 1.00 2.34 N ATOM 516 CA THR A 34 -7.341 -2.087 5.398 1.00 24.52 C ATOM 517 C THR A 34 -7.044 -0.664 5.887 1.00 1.32 C ATOM 518 O THR A 34 -7.109 -0.379 7.083 1.00 3.01 O ATOM 519 CB THR A 34 -8.785 -2.467 5.816 1.00 42.51 C ATOM 520 OG1 THR A 34 -9.056 -3.842 5.486 1.00 62.31 O ATOM 521 CG2 THR A 34 -9.816 -1.570 5.132 1.00 53.35 C ATOM 0 H THR A 34 -6.414 -3.194 6.930 1.00 2.34 H new ATOM 0 HA THR A 34 -7.259 -2.119 4.312 1.00 24.52 H new ATOM 0 HB THR A 34 -8.863 -2.327 6.894 1.00 42.51 H new ATOM 0 HG1 THR A 34 -9.970 -4.069 5.757 1.00 62.31 H new ATOM 0 HG21 THR A 34 -10.818 -1.862 5.446 1.00 53.35 H new ATOM 0 HG22 THR A 34 -9.637 -0.532 5.411 1.00 53.35 H new ATOM 0 HG23 THR A 34 -9.730 -1.675 4.051 1.00 53.35 H new ATOM 529 N ILE A 35 -6.736 0.233 4.957 1.00 43.05 N ATOM 530 CA ILE A 35 -6.445 1.629 5.294 1.00 62.23 C ATOM 531 C ILE A 35 -7.743 2.425 5.518 1.00 70.42 C ATOM 532 O ILE A 35 -8.484 2.707 4.572 1.00 43.34 O ATOM 533 CB ILE A 35 -5.613 2.306 4.175 1.00 24.42 C ATOM 534 CG1 ILE A 35 -4.299 1.533 3.949 1.00 41.21 C ATOM 535 CG2 ILE A 35 -5.330 3.770 4.518 1.00 70.41 C ATOM 536 CD1 ILE A 35 -3.448 2.082 2.822 1.00 51.31 C ATOM 0 H ILE A 35 -6.680 0.022 3.961 1.00 43.05 H new ATOM 0 HA ILE A 35 -5.866 1.628 6.218 1.00 62.23 H new ATOM 0 HB ILE A 35 -6.192 2.285 3.251 1.00 24.42 H new ATOM 0 HG12 ILE A 35 -3.717 1.548 4.871 1.00 41.21 H new ATOM 0 HG13 ILE A 35 -4.535 0.490 3.738 1.00 41.21 H new ATOM 0 HG21 ILE A 35 -4.745 4.224 3.718 1.00 70.41 H new ATOM 0 HG22 ILE A 35 -6.272 4.307 4.628 1.00 70.41 H new ATOM 0 HG23 ILE A 35 -4.771 3.823 5.452 1.00 70.41 H new ATOM 0 HD11 ILE A 35 -2.541 1.484 2.726 1.00 51.31 H new ATOM 0 HD12 ILE A 35 -4.010 2.041 1.889 1.00 51.31 H new ATOM 0 HD13 ILE A 35 -3.180 3.116 3.039 1.00 51.31 H new ATOM 548 N LYS A 36 -8.016 2.766 6.775 1.00 31.33 N ATOM 549 CA LYS A 36 -9.225 3.513 7.135 1.00 21.45 C ATOM 550 C LYS A 36 -8.917 5.006 7.329 1.00 4.21 C ATOM 551 O LYS A 36 -8.244 5.392 8.289 1.00 54.23 O ATOM 552 CB LYS A 36 -9.835 2.938 8.420 1.00 41.14 C ATOM 553 CG LYS A 36 -10.177 1.451 8.333 1.00 33.23 C ATOM 554 CD LYS A 36 -10.735 0.924 9.655 1.00 33.13 C ATOM 555 CE LYS A 36 -11.029 -0.575 9.600 1.00 31.33 C ATOM 556 NZ LYS A 36 -11.567 -1.080 10.892 1.00 1.05 N ATOM 0 H LYS A 36 -7.415 2.537 7.567 1.00 31.33 H new ATOM 0 HA LYS A 36 -9.939 3.414 6.318 1.00 21.45 H new ATOM 0 HB2 LYS A 36 -9.137 3.092 9.242 1.00 41.14 H new ATOM 0 HB3 LYS A 36 -10.740 3.495 8.662 1.00 41.14 H new ATOM 0 HG2 LYS A 36 -10.907 1.291 7.540 1.00 33.23 H new ATOM 0 HG3 LYS A 36 -9.284 0.887 8.063 1.00 33.23 H new ATOM 0 HD2 LYS A 36 -10.021 1.124 10.454 1.00 33.13 H new ATOM 0 HD3 LYS A 36 -11.649 1.463 9.902 1.00 33.13 H new ATOM 0 HE2 LYS A 36 -11.746 -0.776 8.804 1.00 31.33 H new ATOM 0 HE3 LYS A 36 -10.116 -1.116 9.350 1.00 31.33 H new ATOM 0 HZ1 LYS A 36 -11.754 -2.100 10.815 1.00 1.05 H new ATOM 0 HZ2 LYS A 36 -10.872 -0.911 11.647 1.00 1.05 H new ATOM 0 HZ3 LYS A 36 -12.452 -0.582 11.118 1.00 1.05 H new ATOM 570 N GLY A 37 -9.418 5.842 6.420 1.00 73.52 N ATOM 571 CA GLY A 37 -9.152 7.275 6.482 1.00 50.12 C ATOM 572 C GLY A 37 -10.379 8.106 6.841 1.00 21.22 C ATOM 573 O GLY A 37 -10.668 8.331 8.019 1.00 21.42 O ATOM 0 H GLY A 37 -10.006 5.553 5.638 1.00 73.52 H new ATOM 0 HA2 GLY A 37 -8.370 7.460 7.218 1.00 50.12 H new ATOM 0 HA3 GLY A 37 -8.767 7.607 5.518 1.00 50.12 H new ATOM 577 N LYS A 38 -11.112 8.556 5.824 1.00 64.30 N ATOM 578 CA LYS A 38 -12.273 9.432 6.024 1.00 72.43 C ATOM 579 C LYS A 38 -13.586 8.723 5.647 1.00 11.14 C ATOM 580 O LYS A 38 -14.057 8.827 4.515 1.00 23.40 O ATOM 581 CB LYS A 38 -12.099 10.724 5.198 1.00 23.21 C ATOM 582 CG LYS A 38 -13.276 11.710 5.252 1.00 43.54 C ATOM 583 CD LYS A 38 -13.305 12.554 6.534 1.00 54.23 C ATOM 584 CE LYS A 38 -13.725 11.754 7.762 1.00 72.51 C ATOM 585 NZ LYS A 38 -13.848 12.611 8.968 1.00 14.32 N ATOM 0 H LYS A 38 -10.924 8.329 4.848 1.00 64.30 H new ATOM 0 HA LYS A 38 -12.331 9.686 7.082 1.00 72.43 H new ATOM 0 HB2 LYS A 38 -11.202 11.237 5.544 1.00 23.21 H new ATOM 0 HB3 LYS A 38 -11.927 10.448 4.158 1.00 23.21 H new ATOM 0 HG2 LYS A 38 -13.224 12.374 4.389 1.00 43.54 H new ATOM 0 HG3 LYS A 38 -14.210 11.154 5.170 1.00 43.54 H new ATOM 0 HD2 LYS A 38 -12.316 12.980 6.705 1.00 54.23 H new ATOM 0 HD3 LYS A 38 -13.993 13.389 6.398 1.00 54.23 H new ATOM 0 HE2 LYS A 38 -14.679 11.264 7.567 1.00 72.51 H new ATOM 0 HE3 LYS A 38 -12.995 10.967 7.949 1.00 72.51 H new ATOM 0 HZ1 LYS A 38 -14.135 12.028 9.780 1.00 14.32 H new ATOM 0 HZ2 LYS A 38 -12.932 13.059 9.170 1.00 14.32 H new ATOM 0 HZ3 LYS A 38 -14.564 13.347 8.800 1.00 14.32 H new ATOM 599 N GLY A 39 -14.149 7.975 6.600 1.00 31.30 N ATOM 600 CA GLY A 39 -15.424 7.286 6.384 1.00 73.12 C ATOM 601 C GLY A 39 -15.453 6.422 5.123 1.00 62.34 C ATOM 602 O GLY A 39 -14.982 5.282 5.123 1.00 42.45 O ATOM 0 H GLY A 39 -13.744 7.831 7.525 1.00 31.30 H new ATOM 0 HA2 GLY A 39 -15.638 6.658 7.249 1.00 73.12 H new ATOM 0 HA3 GLY A 39 -16.221 8.027 6.324 1.00 73.12 H new ATOM 606 N ALA A 40 -16.009 6.969 4.042 1.00 50.15 N ATOM 607 CA ALA A 40 -16.064 6.270 2.756 1.00 22.44 C ATOM 608 C ALA A 40 -14.662 6.056 2.164 1.00 70.44 C ATOM 609 O ALA A 40 -14.415 5.078 1.465 1.00 11.21 O ATOM 610 CB ALA A 40 -16.940 7.046 1.778 1.00 4.23 C ATOM 0 H ALA A 40 -16.430 7.898 4.031 1.00 50.15 H new ATOM 0 HA ALA A 40 -16.500 5.286 2.929 1.00 22.44 H new ATOM 0 HB1 ALA A 40 -16.975 6.519 0.824 1.00 4.23 H new ATOM 0 HB2 ALA A 40 -17.948 7.132 2.182 1.00 4.23 H new ATOM 0 HB3 ALA A 40 -16.523 8.042 1.627 1.00 4.23 H new ATOM 616 N GLN A 41 -13.752 6.984 2.443 1.00 72.31 N ATOM 617 CA GLN A 41 -12.382 6.911 1.928 1.00 13.40 C ATOM 618 C GLN A 41 -11.556 5.820 2.631 1.00 10.22 C ATOM 619 O GLN A 41 -10.975 6.051 3.696 1.00 33.21 O ATOM 620 CB GLN A 41 -11.682 8.268 2.084 1.00 64.24 C ATOM 621 CG GLN A 41 -12.375 9.411 1.346 1.00 62.23 C ATOM 622 CD GLN A 41 -11.732 10.768 1.602 1.00 75.44 C ATOM 623 OE1 GLN A 41 -12.398 11.796 1.580 1.00 53.20 O ATOM 624 NE2 GLN A 41 -10.435 10.788 1.852 1.00 3.51 N ATOM 0 H GLN A 41 -13.937 7.801 3.026 1.00 72.31 H new ATOM 0 HA GLN A 41 -12.449 6.650 0.872 1.00 13.40 H new ATOM 0 HB2 GLN A 41 -11.624 8.516 3.144 1.00 64.24 H new ATOM 0 HB3 GLN A 41 -10.658 8.182 1.720 1.00 64.24 H new ATOM 0 HG2 GLN A 41 -12.360 9.205 0.276 1.00 62.23 H new ATOM 0 HG3 GLN A 41 -13.421 9.449 1.649 1.00 62.23 H new ATOM 0 HE21 GLN A 41 -9.904 9.917 1.864 1.00 3.51 H new ATOM 0 HE22 GLN A 41 -9.964 11.675 2.033 1.00 3.51 H new ATOM 633 N TYR A 42 -11.519 4.629 2.035 1.00 10.40 N ATOM 634 CA TYR A 42 -10.680 3.527 2.531 1.00 1.50 C ATOM 635 C TYR A 42 -9.752 3.013 1.417 1.00 61.12 C ATOM 636 O TYR A 42 -9.808 3.491 0.286 1.00 0.23 O ATOM 637 CB TYR A 42 -11.559 2.375 3.053 1.00 11.54 C ATOM 638 CG TYR A 42 -12.314 1.628 1.964 1.00 72.42 C ATOM 639 CD1 TYR A 42 -13.470 2.156 1.404 1.00 60.34 C ATOM 640 CD2 TYR A 42 -11.863 0.396 1.497 1.00 73.21 C ATOM 641 CE1 TYR A 42 -14.158 1.481 0.413 1.00 71.12 C ATOM 642 CE2 TYR A 42 -12.546 -0.284 0.508 1.00 62.12 C ATOM 643 CZ TYR A 42 -13.690 0.262 -0.032 1.00 71.51 C ATOM 644 OH TYR A 42 -14.374 -0.411 -1.019 1.00 35.21 O ATOM 0 H TYR A 42 -12.062 4.397 1.203 1.00 10.40 H new ATOM 0 HA TYR A 42 -10.070 3.905 3.351 1.00 1.50 H new ATOM 0 HB2 TYR A 42 -10.930 1.668 3.594 1.00 11.54 H new ATOM 0 HB3 TYR A 42 -12.277 2.775 3.769 1.00 11.54 H new ATOM 0 HD1 TYR A 42 -13.838 3.111 1.749 1.00 60.34 H new ATOM 0 HD2 TYR A 42 -10.965 -0.034 1.915 1.00 73.21 H new ATOM 0 HE1 TYR A 42 -15.056 1.905 -0.010 1.00 71.12 H new ATOM 0 HE2 TYR A 42 -12.185 -1.240 0.159 1.00 62.12 H new ATOM 0 HH TYR A 42 -13.914 -1.253 -1.220 1.00 35.21 H new ATOM 654 N ASN A 43 -8.888 2.058 1.740 1.00 74.14 N ATOM 655 CA ASN A 43 -8.047 1.415 0.721 1.00 40.32 C ATOM 656 C ASN A 43 -7.549 0.042 1.206 1.00 44.53 C ATOM 657 O ASN A 43 -6.797 -0.048 2.174 1.00 21.12 O ATOM 658 CB ASN A 43 -6.860 2.317 0.352 1.00 4.42 C ATOM 659 CG ASN A 43 -6.213 1.903 -0.956 1.00 24.01 C ATOM 660 OD1 ASN A 43 -5.274 1.125 -0.977 1.00 40.04 O ATOM 661 ND2 ASN A 43 -6.723 2.413 -2.061 1.00 42.42 N ATOM 0 H ASN A 43 -8.747 1.710 2.688 1.00 74.14 H new ATOM 0 HA ASN A 43 -8.655 1.261 -0.170 1.00 40.32 H new ATOM 0 HB2 ASN A 43 -7.200 3.350 0.277 1.00 4.42 H new ATOM 0 HB3 ASN A 43 -6.118 2.283 1.150 1.00 4.42 H new ATOM 0 HD21 ASN A 43 -6.331 2.159 -2.968 1.00 42.42 H new ATOM 0 HD22 ASN A 43 -7.509 3.061 -2.008 1.00 42.42 H new ATOM 668 N LEU A 44 -7.989 -1.023 0.543 1.00 41.03 N ATOM 669 CA LEU A 44 -7.605 -2.388 0.927 1.00 22.32 C ATOM 670 C LEU A 44 -6.325 -2.837 0.204 1.00 33.04 C ATOM 671 O LEU A 44 -6.323 -3.056 -1.009 1.00 44.22 O ATOM 672 CB LEU A 44 -8.756 -3.362 0.632 1.00 15.42 C ATOM 673 CG LEU A 44 -8.489 -4.837 0.983 1.00 34.04 C ATOM 674 CD1 LEU A 44 -8.100 -4.992 2.451 1.00 22.42 C ATOM 675 CD2 LEU A 44 -9.716 -5.684 0.659 1.00 45.04 C ATOM 0 H LEU A 44 -8.612 -0.973 -0.263 1.00 41.03 H new ATOM 0 HA LEU A 44 -7.399 -2.392 1.997 1.00 22.32 H new ATOM 0 HB2 LEU A 44 -9.637 -3.031 1.181 1.00 15.42 H new ATOM 0 HB3 LEU A 44 -8.999 -3.298 -0.429 1.00 15.42 H new ATOM 0 HG LEU A 44 -7.652 -5.186 0.379 1.00 34.04 H new ATOM 0 HD11 LEU A 44 -7.918 -6.044 2.670 1.00 22.42 H new ATOM 0 HD12 LEU A 44 -7.195 -4.418 2.650 1.00 22.42 H new ATOM 0 HD13 LEU A 44 -8.909 -4.625 3.083 1.00 22.42 H new ATOM 0 HD21 LEU A 44 -9.516 -6.725 0.911 1.00 45.04 H new ATOM 0 HD22 LEU A 44 -10.568 -5.327 1.238 1.00 45.04 H new ATOM 0 HD23 LEU A 44 -9.942 -5.605 -0.404 1.00 45.04 H new ATOM 687 N MET A 45 -5.243 -2.989 0.966 1.00 1.23 N ATOM 688 CA MET A 45 -3.934 -3.361 0.411 1.00 32.53 C ATOM 689 C MET A 45 -3.676 -4.870 0.547 1.00 64.00 C ATOM 690 O MET A 45 -3.960 -5.468 1.586 1.00 21.31 O ATOM 691 CB MET A 45 -2.831 -2.574 1.126 1.00 44.51 C ATOM 692 CG MET A 45 -3.001 -1.067 1.026 1.00 22.31 C ATOM 693 SD MET A 45 -2.846 -0.455 -0.664 1.00 63.11 S ATOM 694 CE MET A 45 -1.104 -0.717 -0.973 1.00 22.04 C ATOM 0 H MET A 45 -5.244 -2.860 1.978 1.00 1.23 H new ATOM 0 HA MET A 45 -3.931 -3.116 -0.651 1.00 32.53 H new ATOM 0 HB2 MET A 45 -2.814 -2.861 2.177 1.00 44.51 H new ATOM 0 HB3 MET A 45 -1.865 -2.852 0.704 1.00 44.51 H new ATOM 0 HG2 MET A 45 -3.979 -0.790 1.419 1.00 22.31 H new ATOM 0 HG3 MET A 45 -2.255 -0.580 1.654 1.00 22.31 H new ATOM 0 HE1 MET A 45 -0.803 -0.154 -1.857 1.00 22.04 H new ATOM 0 HE2 MET A 45 -0.527 -0.378 -0.113 1.00 22.04 H new ATOM 0 HE3 MET A 45 -0.919 -1.778 -1.138 1.00 22.04 H new ATOM 704 N GLU A 46 -3.122 -5.478 -0.501 1.00 51.30 N ATOM 705 CA GLU A 46 -2.853 -6.922 -0.516 1.00 11.51 C ATOM 706 C GLU A 46 -1.371 -7.224 -0.803 1.00 14.32 C ATOM 707 O GLU A 46 -0.853 -6.897 -1.874 1.00 43.31 O ATOM 708 CB GLU A 46 -3.747 -7.614 -1.560 1.00 4.44 C ATOM 709 CG GLU A 46 -3.486 -9.112 -1.711 1.00 70.35 C ATOM 710 CD GLU A 46 -4.516 -9.805 -2.596 1.00 53.01 C ATOM 711 OE1 GLU A 46 -4.578 -9.500 -3.807 1.00 72.21 O ATOM 712 OE2 GLU A 46 -5.260 -10.666 -2.082 1.00 32.13 O ATOM 0 H GLU A 46 -2.848 -4.994 -1.356 1.00 51.30 H new ATOM 0 HA GLU A 46 -3.083 -7.313 0.475 1.00 11.51 H new ATOM 0 HB2 GLU A 46 -4.791 -7.464 -1.285 1.00 4.44 H new ATOM 0 HB3 GLU A 46 -3.599 -7.131 -2.526 1.00 4.44 H new ATOM 0 HG2 GLU A 46 -2.492 -9.262 -2.132 1.00 70.35 H new ATOM 0 HG3 GLU A 46 -3.488 -9.578 -0.726 1.00 70.35 H new ATOM 719 N VAL A 47 -0.695 -7.837 0.170 1.00 33.33 N ATOM 720 CA VAL A 47 0.704 -8.260 0.015 1.00 74.33 C ATOM 721 C VAL A 47 0.797 -9.789 -0.114 1.00 22.32 C ATOM 722 O VAL A 47 0.522 -10.523 0.839 1.00 42.35 O ATOM 723 CB VAL A 47 1.569 -7.814 1.223 1.00 1.21 C ATOM 724 CG1 VAL A 47 3.044 -8.152 0.998 1.00 40.03 C ATOM 725 CG2 VAL A 47 1.386 -6.326 1.511 1.00 24.31 C ATOM 0 H VAL A 47 -1.095 -8.055 1.083 1.00 33.33 H new ATOM 0 HA VAL A 47 1.082 -7.785 -0.891 1.00 74.33 H new ATOM 0 HB VAL A 47 1.229 -8.368 2.098 1.00 1.21 H new ATOM 0 HG11 VAL A 47 3.627 -7.828 1.860 1.00 40.03 H new ATOM 0 HG12 VAL A 47 3.155 -9.229 0.868 1.00 40.03 H new ATOM 0 HG13 VAL A 47 3.402 -7.640 0.105 1.00 40.03 H new ATOM 0 HG21 VAL A 47 2.004 -6.042 2.363 1.00 24.31 H new ATOM 0 HG22 VAL A 47 1.684 -5.747 0.637 1.00 24.31 H new ATOM 0 HG23 VAL A 47 0.339 -6.126 1.740 1.00 24.31 H new ATOM 735 N ASP A 48 1.188 -10.267 -1.286 1.00 51.35 N ATOM 736 CA ASP A 48 1.333 -11.704 -1.529 1.00 22.11 C ATOM 737 C ASP A 48 2.820 -12.075 -1.651 1.00 45.22 C ATOM 738 O ASP A 48 3.451 -11.832 -2.675 1.00 34.25 O ATOM 739 CB ASP A 48 0.573 -12.093 -2.803 1.00 33.20 C ATOM 740 CG ASP A 48 0.508 -13.595 -3.011 1.00 54.11 C ATOM 741 OD1 ASP A 48 -0.403 -14.239 -2.445 1.00 54.40 O ATOM 742 OD2 ASP A 48 1.356 -14.142 -3.743 1.00 12.40 O ATOM 0 H ASP A 48 1.413 -9.682 -2.090 1.00 51.35 H new ATOM 0 HA ASP A 48 0.912 -12.254 -0.687 1.00 22.11 H new ATOM 0 HB2 ASP A 48 -0.440 -11.693 -2.753 1.00 33.20 H new ATOM 0 HB3 ASP A 48 1.056 -11.632 -3.664 1.00 33.20 H new ATOM 747 N GLY A 49 3.379 -12.642 -0.590 1.00 21.42 N ATOM 748 CA GLY A 49 4.796 -12.974 -0.581 1.00 61.14 C ATOM 749 C GLY A 49 5.692 -11.744 -0.706 1.00 20.24 C ATOM 750 O GLY A 49 5.819 -10.958 0.233 1.00 72.43 O ATOM 0 H GLY A 49 2.879 -12.879 0.267 1.00 21.42 H new ATOM 0 HA2 GLY A 49 5.035 -13.500 0.343 1.00 61.14 H new ATOM 0 HA3 GLY A 49 5.009 -13.658 -1.402 1.00 61.14 H new ATOM 754 N GLU A 50 6.289 -11.564 -1.884 1.00 43.14 N ATOM 755 CA GLU A 50 7.240 -10.470 -2.123 1.00 21.32 C ATOM 756 C GLU A 50 6.669 -9.419 -3.101 1.00 34.52 C ATOM 757 O GLU A 50 7.408 -8.603 -3.659 1.00 15.53 O ATOM 758 CB GLU A 50 8.553 -11.055 -2.664 1.00 75.53 C ATOM 759 CG GLU A 50 9.154 -12.137 -1.761 1.00 4.41 C ATOM 760 CD GLU A 50 10.360 -12.831 -2.374 1.00 24.43 C ATOM 761 OE1 GLU A 50 10.194 -13.512 -3.411 1.00 62.35 O ATOM 762 OE2 GLU A 50 11.471 -12.726 -1.813 1.00 24.00 O ATOM 0 H GLU A 50 6.132 -12.164 -2.694 1.00 43.14 H new ATOM 0 HA GLU A 50 7.426 -9.959 -1.179 1.00 21.32 H new ATOM 0 HB2 GLU A 50 8.374 -11.476 -3.653 1.00 75.53 H new ATOM 0 HB3 GLU A 50 9.278 -10.250 -2.786 1.00 75.53 H new ATOM 0 HG2 GLU A 50 9.446 -11.687 -0.812 1.00 4.41 H new ATOM 0 HG3 GLU A 50 8.389 -12.881 -1.539 1.00 4.41 H new ATOM 769 N ARG A 51 5.347 -9.441 -3.288 1.00 71.23 N ATOM 770 CA ARG A 51 4.657 -8.492 -4.178 1.00 43.43 C ATOM 771 C ARG A 51 3.449 -7.844 -3.468 1.00 74.42 C ATOM 772 O ARG A 51 2.736 -8.503 -2.711 1.00 35.43 O ATOM 773 CB ARG A 51 4.199 -9.211 -5.460 1.00 42.12 C ATOM 774 CG ARG A 51 3.387 -10.473 -5.183 1.00 51.53 C ATOM 775 CD ARG A 51 2.942 -11.197 -6.447 1.00 22.51 C ATOM 776 NE ARG A 51 2.238 -12.436 -6.118 1.00 1.43 N ATOM 777 CZ ARG A 51 1.253 -12.940 -6.813 1.00 61.23 C ATOM 778 NH1 ARG A 51 0.844 -12.378 -7.902 1.00 73.15 N ATOM 779 NH2 ARG A 51 0.681 -14.025 -6.414 1.00 72.12 N ATOM 0 H ARG A 51 4.725 -10.110 -2.833 1.00 71.23 H new ATOM 0 HA ARG A 51 5.357 -7.700 -4.443 1.00 43.43 H new ATOM 0 HB2 ARG A 51 3.600 -8.525 -6.059 1.00 42.12 H new ATOM 0 HB3 ARG A 51 5.074 -9.473 -6.055 1.00 42.12 H new ATOM 0 HG2 ARG A 51 3.983 -11.153 -4.575 1.00 51.53 H new ATOM 0 HG3 ARG A 51 2.507 -10.208 -4.596 1.00 51.53 H new ATOM 0 HD2 ARG A 51 2.290 -10.548 -7.032 1.00 22.51 H new ATOM 0 HD3 ARG A 51 3.810 -11.421 -7.067 1.00 22.51 H new ATOM 0 HE ARG A 51 2.538 -12.944 -5.286 1.00 1.43 H new ATOM 0 HH11 ARG A 51 1.292 -11.524 -8.235 1.00 73.15 H new ATOM 0 HH12 ARG A 51 0.073 -12.788 -8.429 1.00 73.15 H new ATOM 0 HH21 ARG A 51 0.998 -14.485 -5.560 1.00 72.12 H new ATOM 0 HH22 ARG A 51 -0.088 -14.423 -6.952 1.00 72.12 H new ATOM 793 N ILE A 52 3.223 -6.555 -3.723 1.00 64.30 N ATOM 794 CA ILE A 52 2.130 -5.809 -3.079 1.00 32.33 C ATOM 795 C ILE A 52 1.293 -5.025 -4.106 1.00 73.02 C ATOM 796 O ILE A 52 1.801 -4.597 -5.145 1.00 60.33 O ATOM 797 CB ILE A 52 2.680 -4.826 -2.007 1.00 53.00 C ATOM 798 CG1 ILE A 52 1.530 -4.057 -1.326 1.00 23.40 C ATOM 799 CG2 ILE A 52 3.683 -3.858 -2.630 1.00 52.33 C ATOM 800 CD1 ILE A 52 1.983 -3.091 -0.247 1.00 14.30 C ATOM 0 H ILE A 52 3.781 -6.000 -4.372 1.00 64.30 H new ATOM 0 HA ILE A 52 1.488 -6.546 -2.597 1.00 32.33 H new ATOM 0 HB ILE A 52 3.195 -5.409 -1.243 1.00 53.00 H new ATOM 0 HG12 ILE A 52 0.978 -3.503 -2.085 1.00 23.40 H new ATOM 0 HG13 ILE A 52 0.837 -4.775 -0.888 1.00 23.40 H new ATOM 0 HG21 ILE A 52 4.057 -3.178 -1.864 1.00 52.33 H new ATOM 0 HG22 ILE A 52 4.515 -4.420 -3.054 1.00 52.33 H new ATOM 0 HG23 ILE A 52 3.194 -3.284 -3.417 1.00 52.33 H new ATOM 0 HD11 ILE A 52 1.114 -2.591 0.182 1.00 14.30 H new ATOM 0 HD12 ILE A 52 2.509 -3.639 0.535 1.00 14.30 H new ATOM 0 HD13 ILE A 52 2.652 -2.348 -0.681 1.00 14.30 H new ATOM 812 N ARG A 53 0.003 -4.849 -3.813 1.00 74.53 N ATOM 813 CA ARG A 53 -0.901 -4.083 -4.684 1.00 23.51 C ATOM 814 C ARG A 53 -2.116 -3.549 -3.905 1.00 73.52 C ATOM 815 O ARG A 53 -2.356 -3.938 -2.760 1.00 62.43 O ATOM 816 CB ARG A 53 -1.413 -4.965 -5.829 1.00 32.24 C ATOM 817 CG ARG A 53 -2.342 -6.082 -5.361 1.00 62.31 C ATOM 818 CD ARG A 53 -3.081 -6.736 -6.521 1.00 65.51 C ATOM 819 NE ARG A 53 -4.031 -7.745 -6.059 1.00 31.01 N ATOM 820 CZ ARG A 53 -5.059 -8.159 -6.748 1.00 3.40 C ATOM 821 NH1 ARG A 53 -5.308 -7.679 -7.922 1.00 34.05 N ATOM 822 NH2 ARG A 53 -5.839 -9.059 -6.248 1.00 20.34 N ATOM 0 H ARG A 53 -0.444 -5.227 -2.977 1.00 74.53 H new ATOM 0 HA ARG A 53 -0.330 -3.242 -5.079 1.00 23.51 H new ATOM 0 HB2 ARG A 53 -1.941 -4.341 -6.551 1.00 32.24 H new ATOM 0 HB3 ARG A 53 -0.562 -5.404 -6.349 1.00 32.24 H new ATOM 0 HG2 ARG A 53 -1.762 -6.837 -4.830 1.00 62.31 H new ATOM 0 HG3 ARG A 53 -3.065 -5.678 -4.652 1.00 62.31 H new ATOM 0 HD2 ARG A 53 -3.610 -5.973 -7.091 1.00 65.51 H new ATOM 0 HD3 ARG A 53 -2.361 -7.197 -7.197 1.00 65.51 H new ATOM 0 HE ARG A 53 -3.881 -8.153 -5.136 1.00 31.01 H new ATOM 0 HH11 ARG A 53 -4.697 -6.967 -8.322 1.00 34.05 H new ATOM 0 HH12 ARG A 53 -6.115 -8.013 -8.449 1.00 34.05 H new ATOM 0 HH21 ARG A 53 -5.649 -9.441 -5.321 1.00 20.34 H new ATOM 0 HH22 ARG A 53 -6.645 -9.388 -6.780 1.00 20.34 H new ATOM 836 N ILE A 54 -2.878 -2.656 -4.533 1.00 54.35 N ATOM 837 CA ILE A 54 -4.184 -2.248 -4.004 1.00 2.21 C ATOM 838 C ILE A 54 -5.267 -3.234 -4.471 1.00 64.42 C ATOM 839 O ILE A 54 -5.557 -3.339 -5.667 1.00 3.25 O ATOM 840 CB ILE A 54 -4.565 -0.811 -4.447 1.00 13.34 C ATOM 841 CG1 ILE A 54 -3.545 0.205 -3.905 1.00 53.53 C ATOM 842 CG2 ILE A 54 -5.980 -0.463 -3.979 1.00 63.42 C ATOM 843 CD1 ILE A 54 -3.853 1.644 -4.270 1.00 45.03 C ATOM 0 H ILE A 54 -2.617 -2.200 -5.407 1.00 54.35 H new ATOM 0 HA ILE A 54 -4.115 -2.256 -2.916 1.00 2.21 H new ATOM 0 HB ILE A 54 -4.547 -0.767 -5.536 1.00 13.34 H new ATOM 0 HG12 ILE A 54 -3.503 0.118 -2.819 1.00 53.53 H new ATOM 0 HG13 ILE A 54 -2.556 -0.051 -4.284 1.00 53.53 H new ATOM 0 HG21 ILE A 54 -6.230 0.549 -4.299 1.00 63.42 H new ATOM 0 HG22 ILE A 54 -6.690 -1.167 -4.413 1.00 63.42 H new ATOM 0 HG23 ILE A 54 -6.029 -0.522 -2.892 1.00 63.42 H new ATOM 0 HD11 ILE A 54 -3.088 2.297 -3.851 1.00 45.03 H new ATOM 0 HD12 ILE A 54 -3.866 1.749 -5.355 1.00 45.03 H new ATOM 0 HD13 ILE A 54 -4.827 1.921 -3.867 1.00 45.03 H new ATOM 855 N LYS A 55 -5.844 -3.973 -3.529 1.00 72.12 N ATOM 856 CA LYS A 55 -6.846 -4.992 -3.853 1.00 3.25 C ATOM 857 C LYS A 55 -8.192 -4.362 -4.237 1.00 25.12 C ATOM 858 O LYS A 55 -8.778 -4.697 -5.272 1.00 2.15 O ATOM 859 CB LYS A 55 -7.029 -5.953 -2.665 1.00 43.22 C ATOM 860 CG LYS A 55 -8.060 -7.054 -2.909 1.00 72.44 C ATOM 861 CD LYS A 55 -8.165 -8.011 -1.722 1.00 44.12 C ATOM 862 CE LYS A 55 -9.216 -9.092 -1.953 1.00 14.02 C ATOM 863 NZ LYS A 55 -10.578 -8.522 -2.139 1.00 4.12 N ATOM 0 H LYS A 55 -5.637 -3.888 -2.534 1.00 72.12 H new ATOM 0 HA LYS A 55 -6.484 -5.551 -4.716 1.00 3.25 H new ATOM 0 HB2 LYS A 55 -6.069 -6.414 -2.432 1.00 43.22 H new ATOM 0 HB3 LYS A 55 -7.327 -5.378 -1.788 1.00 43.22 H new ATOM 0 HG2 LYS A 55 -9.034 -6.603 -3.099 1.00 72.44 H new ATOM 0 HG3 LYS A 55 -7.788 -7.614 -3.804 1.00 72.44 H new ATOM 0 HD2 LYS A 55 -7.196 -8.479 -1.546 1.00 44.12 H new ATOM 0 HD3 LYS A 55 -8.415 -7.448 -0.823 1.00 44.12 H new ATOM 0 HE2 LYS A 55 -8.946 -9.677 -2.832 1.00 14.02 H new ATOM 0 HE3 LYS A 55 -9.223 -9.776 -1.105 1.00 14.02 H new ATOM 0 HZ1 LYS A 55 -11.285 -9.282 -2.072 1.00 4.12 H new ATOM 0 HZ2 LYS A 55 -10.761 -7.813 -1.400 1.00 4.12 H new ATOM 0 HZ3 LYS A 55 -10.641 -8.072 -3.074 1.00 4.12 H new ATOM 877 N GLU A 56 -8.671 -3.439 -3.409 1.00 60.30 N ATOM 878 CA GLU A 56 -9.994 -2.838 -3.612 1.00 52.35 C ATOM 879 C GLU A 56 -10.165 -1.532 -2.822 1.00 24.00 C ATOM 880 O GLU A 56 -9.756 -1.435 -1.663 1.00 64.24 O ATOM 881 CB GLU A 56 -11.082 -3.841 -3.191 1.00 64.41 C ATOM 882 CG GLU A 56 -12.501 -3.284 -3.249 1.00 51.14 C ATOM 883 CD GLU A 56 -13.544 -4.297 -2.811 1.00 13.54 C ATOM 884 OE1 GLU A 56 -13.710 -4.502 -1.589 1.00 35.14 O ATOM 885 OE2 GLU A 56 -14.200 -4.898 -3.688 1.00 54.23 O ATOM 0 H GLU A 56 -8.169 -3.089 -2.593 1.00 60.30 H new ATOM 0 HA GLU A 56 -10.089 -2.597 -4.671 1.00 52.35 H new ATOM 0 HB2 GLU A 56 -11.021 -4.718 -3.835 1.00 64.41 H new ATOM 0 HB3 GLU A 56 -10.877 -4.177 -2.175 1.00 64.41 H new ATOM 0 HG2 GLU A 56 -12.567 -2.401 -2.613 1.00 51.14 H new ATOM 0 HG3 GLU A 56 -12.719 -2.960 -4.267 1.00 51.14 H new ATOM 892 N ASP A 57 -10.782 -0.540 -3.458 1.00 12.44 N ATOM 893 CA ASP A 57 -11.135 0.715 -2.791 1.00 14.33 C ATOM 894 C ASP A 57 -12.140 1.511 -3.645 1.00 63.43 C ATOM 895 O ASP A 57 -12.644 1.012 -4.651 1.00 10.43 O ATOM 896 CB ASP A 57 -9.881 1.549 -2.494 1.00 72.43 C ATOM 897 CG ASP A 57 -9.322 2.251 -3.715 1.00 22.44 C ATOM 898 OD1 ASP A 57 -8.945 1.570 -4.685 1.00 14.43 O ATOM 899 OD2 ASP A 57 -9.259 3.497 -3.697 1.00 44.33 O ATOM 0 H ASP A 57 -11.050 -0.580 -4.441 1.00 12.44 H new ATOM 0 HA ASP A 57 -11.608 0.478 -1.838 1.00 14.33 H new ATOM 0 HB2 ASP A 57 -10.120 2.293 -1.734 1.00 72.43 H new ATOM 0 HB3 ASP A 57 -9.113 0.900 -2.074 1.00 72.43 H new ATOM 904 N ASN A 58 -12.434 2.748 -3.243 1.00 41.14 N ATOM 905 CA ASN A 58 -13.445 3.559 -3.935 1.00 63.10 C ATOM 906 C ASN A 58 -12.879 4.890 -4.469 1.00 13.41 C ATOM 907 O ASN A 58 -13.623 5.847 -4.683 1.00 70.44 O ATOM 908 CB ASN A 58 -14.626 3.817 -2.991 1.00 11.24 C ATOM 909 CG ASN A 58 -14.213 4.513 -1.704 1.00 12.05 C ATOM 910 OD1 ASN A 58 -13.096 4.353 -1.220 1.00 72.22 O ATOM 911 ND2 ASN A 58 -15.110 5.289 -1.138 1.00 55.35 N ATOM 0 H ASN A 58 -11.992 3.210 -2.448 1.00 41.14 H new ATOM 0 HA ASN A 58 -13.780 2.995 -4.805 1.00 63.10 H new ATOM 0 HB2 ASN A 58 -15.369 4.426 -3.505 1.00 11.24 H new ATOM 0 HB3 ASN A 58 -15.104 2.868 -2.748 1.00 11.24 H new ATOM 0 HD21 ASN A 58 -14.887 5.779 -0.272 1.00 55.35 H new ATOM 0 HD22 ASN A 58 -16.029 5.401 -1.565 1.00 55.35 H new ATOM 918 N SER A 59 -11.570 4.951 -4.704 1.00 0.04 N ATOM 919 CA SER A 59 -10.958 6.150 -5.305 1.00 74.34 C ATOM 920 C SER A 59 -11.219 6.201 -6.814 1.00 62.05 C ATOM 921 O SER A 59 -10.886 5.258 -7.532 1.00 33.41 O ATOM 922 CB SER A 59 -9.445 6.180 -5.053 1.00 41.42 C ATOM 923 OG SER A 59 -8.828 7.285 -5.700 1.00 64.44 O ATOM 0 H SER A 59 -10.914 4.199 -4.493 1.00 0.04 H new ATOM 0 HA SER A 59 -11.416 7.019 -4.833 1.00 74.34 H new ATOM 0 HB2 SER A 59 -9.255 6.233 -3.981 1.00 41.42 H new ATOM 0 HB3 SER A 59 -8.998 5.252 -5.410 1.00 41.42 H new ATOM 0 HG SER A 59 -7.865 7.275 -5.518 1.00 64.44 H new ATOM 929 N PRO A 60 -11.784 7.315 -7.326 1.00 65.21 N ATOM 930 CA PRO A 60 -12.150 7.450 -8.754 1.00 61.13 C ATOM 931 C PRO A 60 -10.950 7.289 -9.702 1.00 52.51 C ATOM 932 O PRO A 60 -11.114 7.137 -10.914 1.00 44.25 O ATOM 933 CB PRO A 60 -12.742 8.869 -8.845 1.00 32.25 C ATOM 934 CG PRO A 60 -12.232 9.581 -7.636 1.00 62.02 C ATOM 935 CD PRO A 60 -12.102 8.536 -6.563 1.00 13.03 C ATOM 0 HA PRO A 60 -12.843 6.668 -9.065 1.00 61.13 H new ATOM 0 HB2 PRO A 60 -12.426 9.370 -9.760 1.00 32.25 H new ATOM 0 HB3 PRO A 60 -13.832 8.842 -8.856 1.00 32.25 H new ATOM 0 HG2 PRO A 60 -11.271 10.054 -7.838 1.00 62.02 H new ATOM 0 HG3 PRO A 60 -12.918 10.371 -7.330 1.00 62.02 H new ATOM 0 HD2 PRO A 60 -11.314 8.784 -5.852 1.00 13.03 H new ATOM 0 HD3 PRO A 60 -13.024 8.427 -5.992 1.00 13.03 H new ATOM 943 N ASP A 61 -9.742 7.335 -9.149 1.00 61.41 N ATOM 944 CA ASP A 61 -8.523 7.100 -9.924 1.00 1.13 C ATOM 945 C ASP A 61 -8.208 5.598 -10.065 1.00 1.32 C ATOM 946 O ASP A 61 -7.807 5.143 -11.140 1.00 13.44 O ATOM 947 CB ASP A 61 -7.343 7.830 -9.277 1.00 72.20 C ATOM 948 CG ASP A 61 -7.401 9.327 -9.508 1.00 60.01 C ATOM 949 OD1 ASP A 61 -8.109 10.031 -8.757 1.00 1.21 O ATOM 950 OD2 ASP A 61 -6.743 9.808 -10.451 1.00 1.03 O ATOM 0 H ASP A 61 -9.578 7.534 -8.162 1.00 61.41 H new ATOM 0 HA ASP A 61 -8.689 7.493 -10.927 1.00 1.13 H new ATOM 0 HB2 ASP A 61 -7.337 7.629 -8.206 1.00 72.20 H new ATOM 0 HB3 ASP A 61 -6.410 7.438 -9.680 1.00 72.20 H new ATOM 955 N GLN A 62 -8.393 4.832 -8.982 1.00 61.42 N ATOM 956 CA GLN A 62 -8.085 3.392 -8.976 1.00 53.41 C ATOM 957 C GLN A 62 -6.637 3.104 -9.433 1.00 71.23 C ATOM 958 O GLN A 62 -6.354 2.047 -10.003 1.00 62.03 O ATOM 959 CB GLN A 62 -9.086 2.633 -9.870 1.00 71.41 C ATOM 960 CG GLN A 62 -10.512 2.601 -9.324 1.00 41.10 C ATOM 961 CD GLN A 62 -10.617 1.809 -8.031 1.00 14.51 C ATOM 962 OE1 GLN A 62 -10.859 0.607 -8.041 1.00 40.43 O ATOM 963 NE2 GLN A 62 -10.443 2.475 -6.911 1.00 53.52 N ATOM 0 H GLN A 62 -8.755 5.184 -8.096 1.00 61.42 H new ATOM 0 HA GLN A 62 -8.177 3.042 -7.948 1.00 53.41 H new ATOM 0 HB2 GLN A 62 -9.097 3.095 -10.857 1.00 71.41 H new ATOM 0 HB3 GLN A 62 -8.736 1.609 -10.001 1.00 71.41 H new ATOM 0 HG2 GLN A 62 -10.856 3.621 -9.152 1.00 41.10 H new ATOM 0 HG3 GLN A 62 -11.175 2.163 -10.070 1.00 41.10 H new ATOM 0 HE21 GLN A 62 -10.243 3.475 -6.938 1.00 53.52 H new ATOM 0 HE22 GLN A 62 -10.508 1.992 -6.015 1.00 53.52 H new ATOM 972 N VAL A 63 -5.716 4.023 -9.128 1.00 13.23 N ATOM 973 CA VAL A 63 -4.329 3.935 -9.619 1.00 52.12 C ATOM 974 C VAL A 63 -3.680 2.574 -9.313 1.00 22.01 C ATOM 975 O VAL A 63 -3.159 1.920 -10.213 1.00 52.35 O ATOM 976 CB VAL A 63 -3.448 5.060 -9.021 1.00 12.42 C ATOM 977 CG1 VAL A 63 -1.999 4.940 -9.502 1.00 3.14 C ATOM 978 CG2 VAL A 63 -4.022 6.430 -9.373 1.00 20.03 C ATOM 0 H VAL A 63 -5.902 4.838 -8.544 1.00 13.23 H new ATOM 0 HA VAL A 63 -4.387 4.051 -10.701 1.00 52.12 H new ATOM 0 HB VAL A 63 -3.450 4.952 -7.936 1.00 12.42 H new ATOM 0 HG11 VAL A 63 -1.403 5.742 -9.067 1.00 3.14 H new ATOM 0 HG12 VAL A 63 -1.592 3.977 -9.193 1.00 3.14 H new ATOM 0 HG13 VAL A 63 -1.969 5.015 -10.589 1.00 3.14 H new ATOM 0 HG21 VAL A 63 -3.391 7.209 -8.945 1.00 20.03 H new ATOM 0 HG22 VAL A 63 -4.055 6.543 -10.457 1.00 20.03 H new ATOM 0 HG23 VAL A 63 -5.031 6.517 -8.969 1.00 20.03 H new ATOM 988 N GLY A 64 -3.732 2.142 -8.056 1.00 54.25 N ATOM 989 CA GLY A 64 -3.116 0.870 -7.676 1.00 70.24 C ATOM 990 C GLY A 64 -3.738 -0.338 -8.372 1.00 24.22 C ATOM 991 O GLY A 64 -3.042 -1.301 -8.693 1.00 34.02 O ATOM 0 H GLY A 64 -4.186 2.643 -7.292 1.00 54.25 H new ATOM 0 HA2 GLY A 64 -2.052 0.906 -7.910 1.00 70.24 H new ATOM 0 HA3 GLY A 64 -3.201 0.742 -6.597 1.00 70.24 H new ATOM 995 N VAL A 65 -5.048 -0.284 -8.605 1.00 20.35 N ATOM 996 CA VAL A 65 -5.755 -1.369 -9.294 1.00 21.43 C ATOM 997 C VAL A 65 -5.244 -1.528 -10.736 1.00 33.20 C ATOM 998 O VAL A 65 -4.995 -2.640 -11.200 1.00 14.10 O ATOM 999 CB VAL A 65 -7.286 -1.125 -9.310 1.00 53.23 C ATOM 1000 CG1 VAL A 65 -8.017 -2.289 -9.974 1.00 5.21 C ATOM 1001 CG2 VAL A 65 -7.809 -0.893 -7.893 1.00 64.00 C ATOM 0 H VAL A 65 -5.643 0.497 -8.328 1.00 20.35 H new ATOM 0 HA VAL A 65 -5.555 -2.287 -8.741 1.00 21.43 H new ATOM 0 HB VAL A 65 -7.480 -0.228 -9.897 1.00 53.23 H new ATOM 0 HG11 VAL A 65 -9.089 -2.094 -9.973 1.00 5.21 H new ATOM 0 HG12 VAL A 65 -7.669 -2.398 -11.001 1.00 5.21 H new ATOM 0 HG13 VAL A 65 -7.815 -3.207 -9.423 1.00 5.21 H new ATOM 0 HG21 VAL A 65 -8.885 -0.724 -7.926 1.00 64.00 H new ATOM 0 HG22 VAL A 65 -7.598 -1.769 -7.279 1.00 64.00 H new ATOM 0 HG23 VAL A 65 -7.317 -0.021 -7.462 1.00 64.00 H new ATOM 1011 N LYS A 66 -5.080 -0.401 -11.437 1.00 13.44 N ATOM 1012 CA LYS A 66 -4.494 -0.410 -12.785 1.00 1.15 C ATOM 1013 C LYS A 66 -2.995 -0.761 -12.736 1.00 71.35 C ATOM 1014 O LYS A 66 -2.485 -1.477 -13.601 1.00 15.24 O ATOM 1015 CB LYS A 66 -4.690 0.950 -13.488 1.00 51.31 C ATOM 1016 CG LYS A 66 -6.109 1.204 -14.007 1.00 42.22 C ATOM 1017 CD LYS A 66 -7.125 1.391 -12.884 1.00 11.14 C ATOM 1018 CE LYS A 66 -8.522 1.669 -13.425 1.00 63.23 C ATOM 1019 NZ LYS A 66 -9.058 0.519 -14.202 1.00 54.40 N ATOM 0 H LYS A 66 -5.342 0.524 -11.098 1.00 13.44 H new ATOM 0 HA LYS A 66 -5.014 -1.177 -13.359 1.00 1.15 H new ATOM 0 HB2 LYS A 66 -4.425 1.745 -12.791 1.00 51.31 H new ATOM 0 HB3 LYS A 66 -3.995 1.015 -14.325 1.00 51.31 H new ATOM 0 HG2 LYS A 66 -6.106 2.092 -14.640 1.00 42.22 H new ATOM 0 HG3 LYS A 66 -6.417 0.367 -14.634 1.00 42.22 H new ATOM 0 HD2 LYS A 66 -7.148 0.496 -12.262 1.00 11.14 H new ATOM 0 HD3 LYS A 66 -6.812 2.216 -12.244 1.00 11.14 H new ATOM 0 HE2 LYS A 66 -9.194 1.891 -12.596 1.00 63.23 H new ATOM 0 HE3 LYS A 66 -8.495 2.555 -14.060 1.00 63.23 H new ATOM 0 HZ1 LYS A 66 -10.069 0.670 -14.392 1.00 54.40 H new ATOM 0 HZ2 LYS A 66 -8.544 0.439 -15.103 1.00 54.40 H new ATOM 0 HZ3 LYS A 66 -8.936 -0.357 -13.655 1.00 54.40 H new ATOM 1033 N MET A 67 -2.302 -0.264 -11.709 1.00 54.43 N ATOM 1034 CA MET A 67 -0.863 -0.511 -11.530 1.00 51.22 C ATOM 1035 C MET A 67 -0.544 -2.003 -11.353 1.00 60.24 C ATOM 1036 O MET A 67 0.513 -2.473 -11.782 1.00 64.25 O ATOM 1037 CB MET A 67 -0.330 0.286 -10.329 1.00 1.02 C ATOM 1038 CG MET A 67 -0.162 1.773 -10.615 1.00 23.13 C ATOM 1039 SD MET A 67 1.076 2.099 -11.888 1.00 11.51 S ATOM 1040 CE MET A 67 0.997 3.889 -11.994 1.00 14.11 C ATOM 0 H MET A 67 -2.716 0.318 -10.981 1.00 54.43 H new ATOM 0 HA MET A 67 -0.365 -0.176 -12.440 1.00 51.22 H new ATOM 0 HB2 MET A 67 -1.012 0.160 -9.488 1.00 1.02 H new ATOM 0 HB3 MET A 67 0.631 -0.129 -10.025 1.00 1.02 H new ATOM 0 HG2 MET A 67 -1.119 2.189 -10.929 1.00 23.13 H new ATOM 0 HG3 MET A 67 0.123 2.286 -9.696 1.00 23.13 H new ATOM 0 HE1 MET A 67 1.708 4.241 -12.742 1.00 14.11 H new ATOM 0 HE2 MET A 67 -0.010 4.192 -12.279 1.00 14.11 H new ATOM 0 HE3 MET A 67 1.246 4.322 -11.025 1.00 14.11 H new ATOM 1050 N GLY A 68 -1.452 -2.735 -10.718 1.00 14.32 N ATOM 1051 CA GLY A 68 -1.260 -4.168 -10.523 1.00 74.04 C ATOM 1052 C GLY A 68 -0.261 -4.502 -9.416 1.00 35.44 C ATOM 1053 O GLY A 68 -0.199 -3.815 -8.396 1.00 51.43 O ATOM 0 H GLY A 68 -2.321 -2.365 -10.332 1.00 14.32 H new ATOM 0 HA2 GLY A 68 -2.220 -4.627 -10.286 1.00 74.04 H new ATOM 0 HA3 GLY A 68 -0.917 -4.611 -11.458 1.00 74.04 H new ATOM 1057 N TRP A 69 0.527 -5.556 -9.620 1.00 63.44 N ATOM 1058 CA TRP A 69 1.475 -6.027 -8.601 1.00 41.10 C ATOM 1059 C TRP A 69 2.831 -5.302 -8.693 1.00 14.31 C ATOM 1060 O TRP A 69 3.497 -5.328 -9.730 1.00 73.00 O ATOM 1061 CB TRP A 69 1.689 -7.542 -8.727 1.00 32.13 C ATOM 1062 CG TRP A 69 0.461 -8.360 -8.433 1.00 4.30 C ATOM 1063 CD1 TRP A 69 -0.441 -8.844 -9.336 1.00 74.15 C ATOM 1064 CD2 TRP A 69 0.009 -8.794 -7.144 1.00 14.42 C ATOM 1065 NE1 TRP A 69 -1.421 -9.557 -8.688 1.00 23.14 N ATOM 1066 CE2 TRP A 69 -1.168 -9.538 -7.341 1.00 75.14 C ATOM 1067 CE3 TRP A 69 0.488 -8.622 -5.841 1.00 15.43 C ATOM 1068 CZ2 TRP A 69 -1.870 -10.113 -6.286 1.00 10.12 C ATOM 1069 CZ3 TRP A 69 -0.212 -9.192 -4.792 1.00 52.31 C ATOM 1070 CH2 TRP A 69 -1.380 -9.931 -5.021 1.00 54.42 C ATOM 0 H TRP A 69 0.531 -6.103 -10.481 1.00 63.44 H new ATOM 0 HA TRP A 69 1.039 -5.799 -7.628 1.00 41.10 H new ATOM 0 HB2 TRP A 69 2.030 -7.768 -9.737 1.00 32.13 H new ATOM 0 HB3 TRP A 69 2.486 -7.844 -8.047 1.00 32.13 H new ATOM 0 HD1 TRP A 69 -0.392 -8.689 -10.404 1.00 74.15 H new ATOM 0 HE1 TRP A 69 -2.209 -10.024 -9.137 1.00 23.14 H new ATOM 0 HE3 TRP A 69 1.388 -8.054 -5.657 1.00 15.43 H new ATOM 0 HZ2 TRP A 69 -2.771 -10.683 -6.459 1.00 10.12 H new ATOM 0 HZ3 TRP A 69 0.148 -9.065 -3.782 1.00 52.31 H new ATOM 0 HH2 TRP A 69 -1.904 -10.366 -4.183 1.00 54.42 H new ATOM 1081 N LYS A 70 3.231 -4.662 -7.595 1.00 61.44 N ATOM 1082 CA LYS A 70 4.533 -3.990 -7.497 1.00 3.45 C ATOM 1083 C LYS A 70 5.475 -4.766 -6.563 1.00 70.41 C ATOM 1084 O LYS A 70 5.016 -5.484 -5.673 1.00 43.43 O ATOM 1085 CB LYS A 70 4.340 -2.555 -6.988 1.00 0.04 C ATOM 1086 CG LYS A 70 3.551 -1.662 -7.947 1.00 52.13 C ATOM 1087 CD LYS A 70 4.232 -1.576 -9.310 1.00 30.55 C ATOM 1088 CE LYS A 70 3.571 -0.556 -10.230 1.00 14.34 C ATOM 1089 NZ LYS A 70 4.304 -0.425 -11.516 1.00 73.11 N ATOM 0 H LYS A 70 2.666 -4.593 -6.749 1.00 61.44 H new ATOM 0 HA LYS A 70 4.986 -3.959 -8.488 1.00 3.45 H new ATOM 0 HB2 LYS A 70 3.825 -2.586 -6.028 1.00 0.04 H new ATOM 0 HB3 LYS A 70 5.318 -2.107 -6.811 1.00 0.04 H new ATOM 0 HG2 LYS A 70 2.541 -2.055 -8.066 1.00 52.13 H new ATOM 0 HG3 LYS A 70 3.456 -0.663 -7.522 1.00 52.13 H new ATOM 0 HD2 LYS A 70 5.280 -1.311 -9.173 1.00 30.55 H new ATOM 0 HD3 LYS A 70 4.211 -2.557 -9.786 1.00 30.55 H new ATOM 0 HE2 LYS A 70 2.541 -0.855 -10.426 1.00 14.34 H new ATOM 0 HE3 LYS A 70 3.532 0.413 -9.732 1.00 14.34 H new ATOM 0 HZ1 LYS A 70 3.827 0.277 -12.117 1.00 73.11 H new ATOM 0 HZ2 LYS A 70 5.279 -0.116 -11.330 1.00 73.11 H new ATOM 0 HZ3 LYS A 70 4.319 -1.344 -12.002 1.00 73.11 H new ATOM 1103 N SER A 71 6.792 -4.626 -6.755 1.00 53.02 N ATOM 1104 CA SER A 71 7.754 -5.443 -5.989 1.00 12.23 C ATOM 1105 C SER A 71 9.205 -4.937 -6.066 1.00 72.20 C ATOM 1106 O SER A 71 10.125 -5.650 -5.659 1.00 61.54 O ATOM 1107 CB SER A 71 7.711 -6.899 -6.482 1.00 44.22 C ATOM 1108 OG SER A 71 8.063 -6.990 -7.858 1.00 51.24 O ATOM 0 H SER A 71 7.213 -3.973 -7.416 1.00 53.02 H new ATOM 0 HA SER A 71 7.445 -5.367 -4.946 1.00 12.23 H new ATOM 0 HB2 SER A 71 8.395 -7.506 -5.889 1.00 44.22 H new ATOM 0 HB3 SER A 71 6.711 -7.306 -6.333 1.00 44.22 H new ATOM 0 HG SER A 71 8.029 -7.927 -8.143 1.00 51.24 H new ATOM 1114 N LYS A 72 9.422 -3.721 -6.566 1.00 3.12 N ATOM 1115 CA LYS A 72 10.787 -3.184 -6.707 1.00 35.54 C ATOM 1116 C LYS A 72 10.919 -1.760 -6.143 1.00 23.15 C ATOM 1117 O LYS A 72 9.937 -1.028 -6.003 1.00 24.43 O ATOM 1118 CB LYS A 72 11.228 -3.205 -8.181 1.00 31.33 C ATOM 1119 CG LYS A 72 11.492 -4.606 -8.736 1.00 12.12 C ATOM 1120 CD LYS A 72 12.593 -5.325 -7.952 1.00 63.15 C ATOM 1121 CE LYS A 72 12.909 -6.700 -8.529 1.00 12.34 C ATOM 1122 NZ LYS A 72 13.438 -6.611 -9.916 1.00 61.50 N ATOM 0 H LYS A 72 8.684 -3.091 -6.879 1.00 3.12 H new ATOM 0 HA LYS A 72 11.441 -3.831 -6.122 1.00 35.54 H new ATOM 0 HB2 LYS A 72 10.458 -2.726 -8.786 1.00 31.33 H new ATOM 0 HB3 LYS A 72 12.134 -2.608 -8.286 1.00 31.33 H new ATOM 0 HG2 LYS A 72 10.574 -5.193 -8.696 1.00 12.12 H new ATOM 0 HG3 LYS A 72 11.779 -4.534 -9.785 1.00 12.12 H new ATOM 0 HD2 LYS A 72 13.496 -4.715 -7.956 1.00 63.15 H new ATOM 0 HD3 LYS A 72 12.285 -5.432 -6.912 1.00 63.15 H new ATOM 0 HE2 LYS A 72 13.639 -7.201 -7.894 1.00 12.34 H new ATOM 0 HE3 LYS A 72 12.007 -7.312 -8.523 1.00 12.34 H new ATOM 0 HZ1 LYS A 72 13.828 -7.533 -10.198 1.00 61.50 H new ATOM 0 HZ2 LYS A 72 12.669 -6.347 -10.565 1.00 61.50 H new ATOM 0 HZ3 LYS A 72 14.187 -5.891 -9.956 1.00 61.50 H new ATOM 1136 N ALA A 73 12.157 -1.375 -5.830 1.00 11.44 N ATOM 1137 CA ALA A 73 12.451 -0.051 -5.271 1.00 12.51 C ATOM 1138 C ALA A 73 12.206 1.059 -6.301 1.00 44.00 C ATOM 1139 O ALA A 73 12.971 1.216 -7.256 1.00 15.13 O ATOM 1140 CB ALA A 73 13.888 -0.004 -4.774 1.00 23.33 C ATOM 0 H ALA A 73 12.979 -1.965 -5.955 1.00 11.44 H new ATOM 0 HA ALA A 73 11.776 0.120 -4.433 1.00 12.51 H new ATOM 0 HB1 ALA A 73 14.098 0.982 -4.361 1.00 23.33 H new ATOM 0 HB2 ALA A 73 14.031 -0.759 -4.001 1.00 23.33 H new ATOM 0 HB3 ALA A 73 14.567 -0.202 -5.604 1.00 23.33 H new ATOM 1146 N GLY A 74 11.144 1.825 -6.097 1.00 41.03 N ATOM 1147 CA GLY A 74 10.765 2.864 -7.046 1.00 3.33 C ATOM 1148 C GLY A 74 9.282 2.822 -7.391 1.00 65.53 C ATOM 1149 O GLY A 74 8.733 3.783 -7.928 1.00 22.22 O ATOM 0 H GLY A 74 10.531 1.748 -5.286 1.00 41.03 H new ATOM 0 HA2 GLY A 74 11.011 3.841 -6.629 1.00 3.33 H new ATOM 0 HA3 GLY A 74 11.351 2.750 -7.958 1.00 3.33 H new ATOM 1153 N ASP A 75 8.635 1.696 -7.084 1.00 33.02 N ATOM 1154 CA ASP A 75 7.198 1.538 -7.309 1.00 74.23 C ATOM 1155 C ASP A 75 6.380 2.371 -6.302 1.00 52.43 C ATOM 1156 O ASP A 75 6.300 2.037 -5.117 1.00 13.33 O ATOM 1157 CB ASP A 75 6.810 0.054 -7.213 1.00 12.02 C ATOM 1158 CG ASP A 75 7.412 -0.791 -8.327 1.00 15.12 C ATOM 1159 OD1 ASP A 75 7.503 -0.299 -9.472 1.00 34.04 O ATOM 1160 OD2 ASP A 75 7.768 -1.964 -8.074 1.00 40.01 O ATOM 0 H ASP A 75 9.087 0.877 -6.677 1.00 33.02 H new ATOM 0 HA ASP A 75 6.969 1.903 -8.310 1.00 74.23 H new ATOM 0 HB2 ASP A 75 7.135 -0.339 -6.250 1.00 12.02 H new ATOM 0 HB3 ASP A 75 5.724 -0.035 -7.243 1.00 12.02 H new ATOM 1165 N THR A 76 5.799 3.472 -6.774 1.00 4.21 N ATOM 1166 CA THR A 76 4.956 4.333 -5.931 1.00 74.43 C ATOM 1167 C THR A 76 3.504 4.366 -6.424 1.00 30.31 C ATOM 1168 O THR A 76 3.247 4.373 -7.630 1.00 5.15 O ATOM 1169 CB THR A 76 5.491 5.784 -5.883 1.00 14.14 C ATOM 1170 OG1 THR A 76 5.528 6.345 -7.207 1.00 42.42 O ATOM 1171 CG2 THR A 76 6.884 5.842 -5.261 1.00 42.44 C ATOM 0 H THR A 76 5.894 3.794 -7.737 1.00 4.21 H new ATOM 0 HA THR A 76 4.988 3.900 -4.931 1.00 74.43 H new ATOM 0 HB THR A 76 4.813 6.368 -5.260 1.00 14.14 H new ATOM 0 HG1 THR A 76 5.866 7.264 -7.164 1.00 42.42 H new ATOM 0 HG21 THR A 76 7.231 6.875 -5.242 1.00 42.44 H new ATOM 0 HG22 THR A 76 6.844 5.454 -4.243 1.00 42.44 H new ATOM 0 HG23 THR A 76 7.572 5.239 -5.853 1.00 42.44 H new ATOM 1179 N ILE A 77 2.559 4.398 -5.487 1.00 32.33 N ATOM 1180 CA ILE A 77 1.127 4.466 -5.807 1.00 22.31 C ATOM 1181 C ILE A 77 0.508 5.771 -5.273 1.00 24.41 C ATOM 1182 O ILE A 77 0.741 6.150 -4.124 1.00 12.42 O ATOM 1183 CB ILE A 77 0.356 3.264 -5.202 1.00 34.43 C ATOM 1184 CG1 ILE A 77 1.012 1.929 -5.611 1.00 51.44 C ATOM 1185 CG2 ILE A 77 -1.111 3.300 -5.631 1.00 72.21 C ATOM 1186 CD1 ILE A 77 1.043 1.685 -7.107 1.00 24.32 C ATOM 0 H ILE A 77 2.759 4.378 -4.487 1.00 32.33 H new ATOM 0 HA ILE A 77 1.041 4.436 -6.893 1.00 22.31 H new ATOM 0 HB ILE A 77 0.399 3.342 -4.116 1.00 34.43 H new ATOM 0 HG12 ILE A 77 2.033 1.907 -5.229 1.00 51.44 H new ATOM 0 HG13 ILE A 77 0.474 1.111 -5.132 1.00 51.44 H new ATOM 0 HG21 ILE A 77 -1.638 2.450 -5.198 1.00 72.21 H new ATOM 0 HG22 ILE A 77 -1.569 4.226 -5.283 1.00 72.21 H new ATOM 0 HG23 ILE A 77 -1.174 3.250 -6.718 1.00 72.21 H new ATOM 0 HD11 ILE A 77 1.520 0.726 -7.309 1.00 24.32 H new ATOM 0 HD12 ILE A 77 0.024 1.673 -7.495 1.00 24.32 H new ATOM 0 HD13 ILE A 77 1.607 2.481 -7.594 1.00 24.32 H new ATOM 1198 N VAL A 78 -0.287 6.448 -6.102 1.00 62.24 N ATOM 1199 CA VAL A 78 -0.890 7.734 -5.721 1.00 11.14 C ATOM 1200 C VAL A 78 -2.420 7.628 -5.566 1.00 23.31 C ATOM 1201 O VAL A 78 -3.129 7.329 -6.527 1.00 31.25 O ATOM 1202 CB VAL A 78 -0.571 8.827 -6.774 1.00 64.25 C ATOM 1203 CG1 VAL A 78 -1.105 10.187 -6.329 1.00 52.13 C ATOM 1204 CG2 VAL A 78 0.930 8.894 -7.055 1.00 4.32 C ATOM 0 H VAL A 78 -0.531 6.132 -7.041 1.00 62.24 H new ATOM 0 HA VAL A 78 -0.457 8.008 -4.759 1.00 11.14 H new ATOM 0 HB VAL A 78 -1.074 8.556 -7.702 1.00 64.25 H new ATOM 0 HG11 VAL A 78 -0.868 10.936 -7.085 1.00 52.13 H new ATOM 0 HG12 VAL A 78 -2.186 10.129 -6.201 1.00 52.13 H new ATOM 0 HG13 VAL A 78 -0.642 10.468 -5.383 1.00 52.13 H new ATOM 0 HG21 VAL A 78 1.127 9.668 -7.797 1.00 4.32 H new ATOM 0 HG22 VAL A 78 1.462 9.130 -6.134 1.00 4.32 H new ATOM 0 HG23 VAL A 78 1.272 7.932 -7.435 1.00 4.32 H new ATOM 1214 N CYS A 79 -2.926 7.870 -4.355 1.00 54.32 N ATOM 1215 CA CYS A 79 -4.377 7.896 -4.107 1.00 42.23 C ATOM 1216 C CYS A 79 -4.816 9.251 -3.527 1.00 52.25 C ATOM 1217 O CYS A 79 -5.232 9.339 -2.366 1.00 62.14 O ATOM 1218 CB CYS A 79 -4.789 6.757 -3.165 1.00 33.43 C ATOM 1219 SG CYS A 79 -4.530 5.102 -3.846 1.00 43.04 S ATOM 0 H CYS A 79 -2.356 8.051 -3.528 1.00 54.32 H new ATOM 0 HA CYS A 79 -4.879 7.755 -5.064 1.00 42.23 H new ATOM 0 HB2 CYS A 79 -4.226 6.848 -2.236 1.00 33.43 H new ATOM 0 HB3 CYS A 79 -5.843 6.873 -2.912 1.00 33.43 H new ATOM 0 HG CYS A 79 -4.905 4.211 -2.977 1.00 43.04 H new ATOM 1225 N LEU A 80 -4.736 10.301 -4.351 1.00 10.45 N ATOM 1226 CA LEU A 80 -5.061 11.675 -3.921 1.00 22.23 C ATOM 1227 C LEU A 80 -6.458 11.796 -3.268 1.00 51.01 C ATOM 1228 O LEU A 80 -6.576 12.356 -2.179 1.00 61.22 O ATOM 1229 CB LEU A 80 -4.946 12.657 -5.102 1.00 61.21 C ATOM 1230 CG LEU A 80 -3.536 12.814 -5.695 1.00 62.53 C ATOM 1231 CD1 LEU A 80 -3.550 13.786 -6.875 1.00 10.35 C ATOM 1232 CD2 LEU A 80 -2.547 13.278 -4.624 1.00 61.02 C ATOM 0 H LEU A 80 -4.447 10.230 -5.327 1.00 10.45 H new ATOM 0 HA LEU A 80 -4.329 11.934 -3.156 1.00 22.23 H new ATOM 0 HB2 LEU A 80 -5.620 12.328 -5.893 1.00 61.21 H new ATOM 0 HB3 LEU A 80 -5.295 13.636 -4.773 1.00 61.21 H new ATOM 0 HG LEU A 80 -3.211 11.840 -6.060 1.00 62.53 H new ATOM 0 HD11 LEU A 80 -2.542 13.882 -7.279 1.00 10.35 H new ATOM 0 HD12 LEU A 80 -4.217 13.408 -7.650 1.00 10.35 H new ATOM 0 HD13 LEU A 80 -3.901 14.762 -6.539 1.00 10.35 H new ATOM 0 HD21 LEU A 80 -1.556 13.383 -5.065 1.00 61.02 H new ATOM 0 HD22 LEU A 80 -2.869 14.239 -4.223 1.00 61.02 H new ATOM 0 HD23 LEU A 80 -2.511 12.543 -3.820 1.00 61.02 H new ATOM 1244 N PRO A 81 -7.540 11.274 -3.901 1.00 21.15 N ATOM 1245 CA PRO A 81 -8.904 11.375 -3.336 1.00 20.35 C ATOM 1246 C PRO A 81 -9.013 10.827 -1.901 1.00 24.24 C ATOM 1247 O PRO A 81 -9.900 11.215 -1.139 1.00 2.43 O ATOM 1248 CB PRO A 81 -9.753 10.526 -4.295 1.00 64.22 C ATOM 1249 CG PRO A 81 -8.997 10.539 -5.578 1.00 20.15 C ATOM 1250 CD PRO A 81 -7.541 10.564 -5.199 1.00 22.12 C ATOM 0 HA PRO A 81 -9.222 12.415 -3.257 1.00 20.35 H new ATOM 0 HB2 PRO A 81 -9.879 9.511 -3.919 1.00 64.22 H new ATOM 0 HB3 PRO A 81 -10.751 10.946 -4.419 1.00 64.22 H new ATOM 0 HG2 PRO A 81 -9.229 9.659 -6.177 1.00 20.15 H new ATOM 0 HG3 PRO A 81 -9.260 11.411 -6.177 1.00 20.15 H new ATOM 0 HD2 PRO A 81 -7.132 9.558 -5.108 1.00 22.12 H new ATOM 0 HD3 PRO A 81 -6.940 11.086 -5.944 1.00 22.12 H new ATOM 1258 N HIS A 82 -8.108 9.915 -1.536 1.00 54.12 N ATOM 1259 CA HIS A 82 -8.113 9.300 -0.202 1.00 25.05 C ATOM 1260 C HIS A 82 -6.972 9.834 0.679 1.00 50.14 C ATOM 1261 O HIS A 82 -6.857 9.451 1.845 1.00 1.52 O ATOM 1262 CB HIS A 82 -7.997 7.773 -0.325 1.00 51.43 C ATOM 1263 CG HIS A 82 -9.184 7.114 -0.968 1.00 43.25 C ATOM 1264 ND1 HIS A 82 -9.338 5.748 -1.027 1.00 53.21 N ATOM 1265 CD2 HIS A 82 -10.278 7.633 -1.583 1.00 43.21 C ATOM 1266 CE1 HIS A 82 -10.461 5.456 -1.640 1.00 63.03 C ATOM 1267 NE2 HIS A 82 -11.054 6.578 -1.988 1.00 54.51 N ATOM 0 H HIS A 82 -7.360 9.584 -2.146 1.00 54.12 H new ATOM 0 HA HIS A 82 -9.057 9.562 0.275 1.00 25.05 H new ATOM 0 HB2 HIS A 82 -7.105 7.533 -0.904 1.00 51.43 H new ATOM 0 HB3 HIS A 82 -7.855 7.350 0.669 1.00 51.43 H new ATOM 0 HD1 HIS A 82 -8.679 5.066 -0.651 1.00 53.21 H new ATOM 0 HD2 HIS A 82 -10.496 8.681 -1.726 1.00 43.21 H new ATOM 0 HE1 HIS A 82 -10.836 4.461 -1.828 1.00 63.03 H new ATOM 1276 N LYS A 83 -6.143 10.720 0.114 1.00 54.44 N ATOM 1277 CA LYS A 83 -4.963 11.263 0.810 1.00 10.43 C ATOM 1278 C LYS A 83 -3.982 10.151 1.216 1.00 24.54 C ATOM 1279 O LYS A 83 -3.262 10.271 2.211 1.00 55.24 O ATOM 1280 CB LYS A 83 -5.392 12.084 2.038 1.00 1.12 C ATOM 1281 CG LYS A 83 -6.248 13.303 1.697 1.00 1.41 C ATOM 1282 CD LYS A 83 -6.569 14.126 2.941 1.00 64.43 C ATOM 1283 CE LYS A 83 -7.415 15.350 2.612 1.00 52.25 C ATOM 1284 NZ LYS A 83 -7.688 16.174 3.819 1.00 52.53 N ATOM 0 H LYS A 83 -6.267 11.081 -0.832 1.00 54.44 H new ATOM 0 HA LYS A 83 -4.442 11.921 0.114 1.00 10.43 H new ATOM 0 HB2 LYS A 83 -5.949 11.439 2.718 1.00 1.12 H new ATOM 0 HB3 LYS A 83 -4.501 12.415 2.571 1.00 1.12 H new ATOM 0 HG2 LYS A 83 -5.724 13.926 0.973 1.00 1.41 H new ATOM 0 HG3 LYS A 83 -7.175 12.977 1.225 1.00 1.41 H new ATOM 0 HD2 LYS A 83 -7.098 13.503 3.662 1.00 64.43 H new ATOM 0 HD3 LYS A 83 -5.640 14.444 3.415 1.00 64.43 H new ATOM 0 HE2 LYS A 83 -6.901 15.957 1.866 1.00 52.25 H new ATOM 0 HE3 LYS A 83 -8.358 15.031 2.169 1.00 52.25 H new ATOM 0 HZ1 LYS A 83 -8.266 16.997 3.554 1.00 52.53 H new ATOM 0 HZ2 LYS A 83 -8.200 15.603 4.521 1.00 52.53 H new ATOM 0 HZ3 LYS A 83 -6.789 16.500 4.228 1.00 52.53 H new ATOM 1298 N VAL A 84 -3.942 9.084 0.417 1.00 23.14 N ATOM 1299 CA VAL A 84 -3.062 7.938 0.680 1.00 30.41 C ATOM 1300 C VAL A 84 -1.955 7.833 -0.381 1.00 43.55 C ATOM 1301 O VAL A 84 -2.209 7.999 -1.577 1.00 4.31 O ATOM 1302 CB VAL A 84 -3.864 6.608 0.706 1.00 2.23 C ATOM 1303 CG1 VAL A 84 -2.951 5.424 1.024 1.00 40.54 C ATOM 1304 CG2 VAL A 84 -5.013 6.686 1.708 1.00 42.31 C ATOM 0 H VAL A 84 -4.512 8.987 -0.424 1.00 23.14 H new ATOM 0 HA VAL A 84 -2.609 8.103 1.657 1.00 30.41 H new ATOM 0 HB VAL A 84 -4.287 6.453 -0.287 1.00 2.23 H new ATOM 0 HG11 VAL A 84 -3.537 4.505 1.036 1.00 40.54 H new ATOM 0 HG12 VAL A 84 -2.174 5.349 0.263 1.00 40.54 H new ATOM 0 HG13 VAL A 84 -2.489 5.573 2.000 1.00 40.54 H new ATOM 0 HG21 VAL A 84 -5.560 5.743 1.708 1.00 42.31 H new ATOM 0 HG22 VAL A 84 -4.614 6.875 2.705 1.00 42.31 H new ATOM 0 HG23 VAL A 84 -5.686 7.496 1.427 1.00 42.31 H new ATOM 1314 N PHE A 85 -0.732 7.556 0.062 1.00 41.14 N ATOM 1315 CA PHE A 85 0.407 7.377 -0.843 1.00 1.53 C ATOM 1316 C PHE A 85 1.237 6.154 -0.420 1.00 23.53 C ATOM 1317 O PHE A 85 1.380 5.876 0.765 1.00 12.00 O ATOM 1318 CB PHE A 85 1.279 8.644 -0.848 1.00 22.41 C ATOM 1319 CG PHE A 85 2.390 8.625 -1.877 1.00 15.21 C ATOM 1320 CD1 PHE A 85 2.141 8.978 -3.197 1.00 35.30 C ATOM 1321 CD2 PHE A 85 3.681 8.257 -1.523 1.00 31.53 C ATOM 1322 CE1 PHE A 85 3.154 8.963 -4.138 1.00 53.03 C ATOM 1323 CE2 PHE A 85 4.695 8.241 -2.461 1.00 55.23 C ATOM 1324 CZ PHE A 85 4.431 8.595 -3.769 1.00 63.50 C ATOM 0 H PHE A 85 -0.500 7.449 1.050 1.00 41.14 H new ATOM 0 HA PHE A 85 0.033 7.206 -1.852 1.00 1.53 H new ATOM 0 HB2 PHE A 85 0.643 9.510 -1.032 1.00 22.41 H new ATOM 0 HB3 PHE A 85 1.717 8.775 0.142 1.00 22.41 H new ATOM 0 HD1 PHE A 85 1.143 9.268 -3.492 1.00 35.30 H new ATOM 0 HD2 PHE A 85 3.895 7.980 -0.501 1.00 31.53 H new ATOM 0 HE1 PHE A 85 2.945 9.239 -5.161 1.00 53.03 H new ATOM 0 HE2 PHE A 85 5.694 7.952 -2.171 1.00 55.23 H new ATOM 0 HZ PHE A 85 5.224 8.584 -4.503 1.00 63.50 H new ATOM 1334 N VAL A 86 1.760 5.413 -1.391 1.00 30.11 N ATOM 1335 CA VAL A 86 2.567 4.219 -1.097 1.00 31.30 C ATOM 1336 C VAL A 86 3.899 4.252 -1.859 1.00 30.33 C ATOM 1337 O VAL A 86 3.913 4.292 -3.086 1.00 44.32 O ATOM 1338 CB VAL A 86 1.807 2.916 -1.469 1.00 0.35 C ATOM 1339 CG1 VAL A 86 2.646 1.676 -1.152 1.00 0.53 C ATOM 1340 CG2 VAL A 86 0.453 2.852 -0.763 1.00 31.21 C ATOM 0 H VAL A 86 1.645 5.611 -2.385 1.00 30.11 H new ATOM 0 HA VAL A 86 2.762 4.225 -0.025 1.00 31.30 H new ATOM 0 HB VAL A 86 1.628 2.932 -2.544 1.00 0.35 H new ATOM 0 HG11 VAL A 86 2.088 0.780 -1.423 1.00 0.53 H new ATOM 0 HG12 VAL A 86 3.575 1.710 -1.721 1.00 0.53 H new ATOM 0 HG13 VAL A 86 2.873 1.653 -0.086 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -0.059 1.930 -1.040 1.00 31.21 H new ATOM 0 HG22 VAL A 86 0.604 2.873 0.316 1.00 31.21 H new ATOM 0 HG23 VAL A 86 -0.153 3.707 -1.061 1.00 31.21 H new ATOM 1350 N GLU A 87 5.011 4.233 -1.134 1.00 65.43 N ATOM 1351 CA GLU A 87 6.338 4.253 -1.759 1.00 14.11 C ATOM 1352 C GLU A 87 7.176 3.020 -1.369 1.00 70.53 C ATOM 1353 O GLU A 87 7.500 2.807 -0.201 1.00 11.25 O ATOM 1354 CB GLU A 87 7.095 5.551 -1.407 1.00 74.33 C ATOM 1355 CG GLU A 87 7.231 5.844 0.092 1.00 1.52 C ATOM 1356 CD GLU A 87 5.973 6.440 0.722 1.00 21.12 C ATOM 1357 OE1 GLU A 87 5.834 7.683 0.714 1.00 64.44 O ATOM 1358 OE2 GLU A 87 5.129 5.675 1.232 1.00 71.31 O ATOM 0 H GLU A 87 5.026 4.204 -0.115 1.00 65.43 H new ATOM 0 HA GLU A 87 6.184 4.221 -2.838 1.00 14.11 H new ATOM 0 HB2 GLU A 87 8.093 5.500 -1.842 1.00 74.33 H new ATOM 0 HB3 GLU A 87 6.584 6.390 -1.880 1.00 74.33 H new ATOM 0 HG2 GLU A 87 7.483 4.920 0.612 1.00 1.52 H new ATOM 0 HG3 GLU A 87 8.063 6.532 0.244 1.00 1.52 H new ATOM 1365 N ILE A 88 7.522 2.197 -2.360 1.00 23.53 N ATOM 1366 CA ILE A 88 8.384 1.032 -2.125 1.00 0.42 C ATOM 1367 C ILE A 88 9.867 1.409 -2.271 1.00 60.52 C ATOM 1368 O ILE A 88 10.328 1.763 -3.358 1.00 63.12 O ATOM 1369 CB ILE A 88 8.060 -0.132 -3.097 1.00 42.40 C ATOM 1370 CG1 ILE A 88 6.576 -0.524 -2.994 1.00 61.45 C ATOM 1371 CG2 ILE A 88 8.956 -1.339 -2.808 1.00 1.11 C ATOM 1372 CD1 ILE A 88 6.171 -1.641 -3.932 1.00 11.05 C ATOM 0 H ILE A 88 7.222 2.312 -3.328 1.00 23.53 H new ATOM 0 HA ILE A 88 8.189 0.699 -1.106 1.00 0.42 H new ATOM 0 HB ILE A 88 8.256 0.205 -4.115 1.00 42.40 H new ATOM 0 HG12 ILE A 88 6.360 -0.827 -1.969 1.00 61.45 H new ATOM 0 HG13 ILE A 88 5.963 0.353 -3.203 1.00 61.45 H new ATOM 0 HG21 ILE A 88 8.714 -2.146 -3.500 1.00 1.11 H new ATOM 0 HG22 ILE A 88 10.001 -1.055 -2.933 1.00 1.11 H new ATOM 0 HG23 ILE A 88 8.792 -1.677 -1.785 1.00 1.11 H new ATOM 0 HD11 ILE A 88 5.111 -1.860 -3.801 1.00 11.05 H new ATOM 0 HD12 ILE A 88 6.353 -1.335 -4.962 1.00 11.05 H new ATOM 0 HD13 ILE A 88 6.756 -2.533 -3.710 1.00 11.05 H new ATOM 1384 N LYS A 89 10.609 1.332 -1.171 1.00 32.15 N ATOM 1385 CA LYS A 89 12.040 1.655 -1.177 1.00 63.24 C ATOM 1386 C LYS A 89 12.891 0.394 -0.989 1.00 12.01 C ATOM 1387 O LYS A 89 12.370 -0.685 -0.716 1.00 42.33 O ATOM 1388 CB LYS A 89 12.363 2.668 -0.066 1.00 54.23 C ATOM 1389 CG LYS A 89 12.140 2.119 1.338 1.00 1.55 C ATOM 1390 CD LYS A 89 12.581 3.092 2.436 1.00 50.23 C ATOM 1391 CE LYS A 89 14.100 3.305 2.475 1.00 22.43 C ATOM 1392 NZ LYS A 89 14.583 4.206 1.389 1.00 54.02 N ATOM 0 H LYS A 89 10.247 1.049 -0.261 1.00 32.15 H new ATOM 0 HA LYS A 89 12.280 2.093 -2.146 1.00 63.24 H new ATOM 0 HB2 LYS A 89 13.402 2.984 -0.164 1.00 54.23 H new ATOM 0 HB3 LYS A 89 11.745 3.556 -0.203 1.00 54.23 H new ATOM 0 HG2 LYS A 89 11.083 1.887 1.468 1.00 1.55 H new ATOM 0 HG3 LYS A 89 12.688 1.183 1.448 1.00 1.55 H new ATOM 0 HD2 LYS A 89 12.089 4.052 2.282 1.00 50.23 H new ATOM 0 HD3 LYS A 89 12.248 2.715 3.403 1.00 50.23 H new ATOM 0 HE2 LYS A 89 14.379 3.725 3.441 1.00 22.43 H new ATOM 0 HE3 LYS A 89 14.600 2.340 2.391 1.00 22.43 H new ATOM 0 HZ1 LYS A 89 15.053 3.641 0.653 1.00 54.02 H new ATOM 0 HZ2 LYS A 89 13.776 4.713 0.974 1.00 54.02 H new ATOM 0 HZ3 LYS A 89 15.258 4.893 1.782 1.00 54.02 H new ATOM 1406 N SER A 90 14.204 0.534 -1.131 1.00 24.15 N ATOM 1407 CA SER A 90 15.135 -0.576 -0.890 1.00 41.01 C ATOM 1408 C SER A 90 15.978 -0.319 0.359 1.00 32.14 C ATOM 1409 O SER A 90 16.251 0.830 0.710 1.00 20.31 O ATOM 1410 CB SER A 90 16.063 -0.796 -2.091 1.00 62.12 C ATOM 1411 OG SER A 90 17.008 -1.821 -1.827 1.00 15.21 O ATOM 0 H SER A 90 14.654 1.405 -1.412 1.00 24.15 H new ATOM 0 HA SER A 90 14.534 -1.473 -0.740 1.00 41.01 H new ATOM 0 HB2 SER A 90 15.471 -1.060 -2.968 1.00 62.12 H new ATOM 0 HB3 SER A 90 16.585 0.132 -2.326 1.00 62.12 H new ATOM 0 HG SER A 90 16.576 -2.542 -1.322 1.00 15.21 H new ATOM 1417 N THR A 91 16.381 -1.388 1.033 1.00 41.42 N ATOM 1418 CA THR A 91 17.240 -1.279 2.217 1.00 30.22 C ATOM 1419 C THR A 91 18.701 -1.003 1.828 1.00 5.54 C ATOM 1420 O THR A 91 19.534 -0.701 2.685 1.00 65.11 O ATOM 1421 CB THR A 91 17.194 -2.569 3.072 1.00 71.51 C ATOM 1422 OG1 THR A 91 17.650 -3.684 2.296 1.00 64.22 O ATOM 1423 CG2 THR A 91 15.780 -2.847 3.574 1.00 33.02 C ATOM 0 H THR A 91 16.129 -2.345 0.784 1.00 41.42 H new ATOM 0 HA THR A 91 16.855 -0.443 2.801 1.00 30.22 H new ATOM 0 HB THR A 91 17.846 -2.426 3.934 1.00 71.51 H new ATOM 0 HG1 THR A 91 17.620 -4.497 2.843 1.00 64.22 H new ATOM 0 HG21 THR A 91 15.779 -3.759 4.171 1.00 33.02 H new ATOM 0 HG22 THR A 91 15.440 -2.012 4.186 1.00 33.02 H new ATOM 0 HG23 THR A 91 15.109 -2.969 2.723 1.00 33.02 H new ATOM 1431 N GLN A 92 19.006 -1.103 0.530 1.00 64.52 N ATOM 1432 CA GLN A 92 20.372 -0.893 0.029 1.00 3.24 C ATOM 1433 C GLN A 92 20.846 0.559 0.210 1.00 62.51 C ATOM 1434 O GLN A 92 20.065 1.459 0.536 1.00 64.43 O ATOM 1435 CB GLN A 92 20.462 -1.248 -1.464 1.00 61.34 C ATOM 1436 CG GLN A 92 19.722 -0.265 -2.373 1.00 42.22 C ATOM 1437 CD GLN A 92 20.088 -0.412 -3.842 1.00 74.22 C ATOM 1438 OE1 GLN A 92 19.472 -1.174 -4.580 1.00 43.42 O ATOM 1439 NE2 GLN A 92 21.099 0.317 -4.278 1.00 74.43 N ATOM 0 H GLN A 92 18.325 -1.328 -0.195 1.00 64.52 H new ATOM 0 HA GLN A 92 21.017 -1.547 0.617 1.00 3.24 H new ATOM 0 HB2 GLN A 92 21.511 -1.283 -1.758 1.00 61.34 H new ATOM 0 HB3 GLN A 92 20.055 -2.248 -1.616 1.00 61.34 H new ATOM 0 HG2 GLN A 92 18.648 -0.411 -2.257 1.00 42.22 H new ATOM 0 HG3 GLN A 92 19.942 0.753 -2.051 1.00 42.22 H new ATOM 0 HE21 GLN A 92 21.591 0.941 -3.639 1.00 74.43 H new ATOM 0 HE22 GLN A 92 21.388 0.256 -5.254 1.00 74.43 H new ATOM 1448 N LYS A 93 22.136 0.773 -0.028 1.00 63.12 N ATOM 1449 CA LYS A 93 22.718 2.116 -0.042 1.00 64.32 C ATOM 1450 C LYS A 93 22.576 2.747 -1.440 1.00 2.22 C ATOM 1451 O LYS A 93 22.748 2.067 -2.453 1.00 12.43 O ATOM 1452 CB LYS A 93 24.205 2.039 0.349 1.00 21.33 C ATOM 1453 CG LYS A 93 24.460 1.341 1.687 1.00 31.34 C ATOM 1454 CD LYS A 93 23.943 2.153 2.875 1.00 62.44 C ATOM 1455 CE LYS A 93 24.758 3.424 3.096 1.00 0.14 C ATOM 1456 NZ LYS A 93 26.195 3.126 3.347 1.00 12.23 N ATOM 0 H LYS A 93 22.806 0.027 -0.216 1.00 63.12 H new ATOM 0 HA LYS A 93 22.186 2.739 0.677 1.00 64.32 H new ATOM 0 HB2 LYS A 93 24.749 1.511 -0.434 1.00 21.33 H new ATOM 0 HB3 LYS A 93 24.611 3.049 0.394 1.00 21.33 H new ATOM 0 HG2 LYS A 93 23.978 0.363 1.681 1.00 31.34 H new ATOM 0 HG3 LYS A 93 25.530 1.169 1.806 1.00 31.34 H new ATOM 0 HD2 LYS A 93 22.899 2.416 2.707 1.00 62.44 H new ATOM 0 HD3 LYS A 93 23.976 1.540 3.775 1.00 62.44 H new ATOM 0 HE2 LYS A 93 24.668 4.069 2.222 1.00 0.14 H new ATOM 0 HE3 LYS A 93 24.348 3.975 3.942 1.00 0.14 H new ATOM 0 HZ1 LYS A 93 26.649 3.952 3.785 1.00 12.23 H new ATOM 0 HZ2 LYS A 93 26.274 2.309 3.985 1.00 12.23 H new ATOM 0 HZ3 LYS A 93 26.667 2.909 2.446 1.00 12.23 H new ATOM 1470 N ASP A 94 22.259 4.040 -1.500 1.00 34.00 N ATOM 1471 CA ASP A 94 22.122 4.735 -2.788 1.00 42.43 C ATOM 1472 C ASP A 94 22.635 6.186 -2.686 1.00 30.43 C ATOM 1473 O ASP A 94 23.044 6.635 -1.612 1.00 10.43 O ATOM 1474 CB ASP A 94 20.658 4.700 -3.259 1.00 32.00 C ATOM 1475 CG ASP A 94 20.531 4.821 -4.771 1.00 13.04 C ATOM 1476 OD1 ASP A 94 20.542 5.959 -5.286 1.00 44.22 O ATOM 1477 OD2 ASP A 94 20.449 3.778 -5.454 1.00 71.53 O ATOM 0 H ASP A 94 22.093 4.627 -0.682 1.00 34.00 H new ATOM 0 HA ASP A 94 22.733 4.218 -3.527 1.00 42.43 H new ATOM 0 HB2 ASP A 94 20.196 3.768 -2.932 1.00 32.00 H new ATOM 0 HB3 ASP A 94 20.107 5.512 -2.785 1.00 32.00 H new ATOM 1482 N SER A 95 22.634 6.906 -3.806 1.00 12.40 N ATOM 1483 CA SER A 95 23.137 8.290 -3.849 1.00 34.04 C ATOM 1484 C SER A 95 22.010 9.329 -3.935 1.00 43.32 C ATOM 1485 O SER A 95 22.194 10.488 -3.549 1.00 53.43 O ATOM 1486 CB SER A 95 24.087 8.473 -5.043 1.00 25.41 C ATOM 1487 OG SER A 95 24.601 9.796 -5.102 1.00 12.42 O ATOM 0 H SER A 95 22.291 6.559 -4.701 1.00 12.40 H new ATOM 0 HA SER A 95 23.670 8.457 -2.913 1.00 34.04 H new ATOM 0 HB2 SER A 95 24.912 7.764 -4.965 1.00 25.41 H new ATOM 0 HB3 SER A 95 23.558 8.246 -5.968 1.00 25.41 H new ATOM 0 HG SER A 95 25.203 9.879 -5.871 1.00 12.42 H new ATOM 1493 N LYS A 96 20.846 8.919 -4.432 1.00 22.42 N ATOM 1494 CA LYS A 96 19.735 9.858 -4.665 1.00 52.21 C ATOM 1495 C LYS A 96 18.905 10.104 -3.394 1.00 73.44 C ATOM 1496 O LYS A 96 18.694 9.200 -2.579 1.00 41.14 O ATOM 1497 CB LYS A 96 18.823 9.348 -5.795 1.00 30.45 C ATOM 1498 CG LYS A 96 18.071 8.058 -5.467 1.00 41.02 C ATOM 1499 CD LYS A 96 17.103 7.667 -6.582 1.00 74.31 C ATOM 1500 CE LYS A 96 17.826 7.438 -7.904 1.00 0.32 C ATOM 1501 NZ LYS A 96 16.881 7.129 -9.009 1.00 75.52 N ATOM 0 H LYS A 96 20.641 7.952 -4.682 1.00 22.42 H new ATOM 0 HA LYS A 96 20.180 10.809 -4.959 1.00 52.21 H new ATOM 0 HB2 LYS A 96 18.098 10.125 -6.039 1.00 30.45 H new ATOM 0 HB3 LYS A 96 19.427 9.185 -6.687 1.00 30.45 H new ATOM 0 HG2 LYS A 96 18.786 7.251 -5.307 1.00 41.02 H new ATOM 0 HG3 LYS A 96 17.520 8.185 -4.535 1.00 41.02 H new ATOM 0 HD2 LYS A 96 16.569 6.760 -6.298 1.00 74.31 H new ATOM 0 HD3 LYS A 96 16.356 8.451 -6.707 1.00 74.31 H new ATOM 0 HE2 LYS A 96 18.405 8.326 -8.159 1.00 0.32 H new ATOM 0 HE3 LYS A 96 18.534 6.617 -7.792 1.00 0.32 H new ATOM 0 HZ1 LYS A 96 17.414 6.980 -9.890 1.00 75.52 H new ATOM 0 HZ2 LYS A 96 16.346 6.267 -8.778 1.00 75.52 H new ATOM 0 HZ3 LYS A 96 16.221 7.923 -9.133 1.00 75.52 H new ATOM 1515 N ASP A 97 18.440 11.340 -3.236 1.00 75.10 N ATOM 1516 CA ASP A 97 17.567 11.722 -2.121 1.00 4.13 C ATOM 1517 C ASP A 97 16.132 12.000 -2.615 1.00 0.21 C ATOM 1518 O ASP A 97 15.922 12.835 -3.497 1.00 61.02 O ATOM 1519 CB ASP A 97 18.137 12.950 -1.398 1.00 12.12 C ATOM 1520 CG ASP A 97 18.400 14.117 -2.337 1.00 71.24 C ATOM 1521 OD1 ASP A 97 19.479 14.143 -2.970 1.00 2.12 O ATOM 1522 OD2 ASP A 97 17.536 15.011 -2.447 1.00 64.52 O ATOM 0 H ASP A 97 18.655 12.106 -3.874 1.00 75.10 H new ATOM 0 HA ASP A 97 17.525 10.891 -1.417 1.00 4.13 H new ATOM 0 HB2 ASP A 97 17.440 13.265 -0.621 1.00 12.12 H new ATOM 0 HB3 ASP A 97 19.066 12.674 -0.900 1.00 12.12 H new ATOM 1527 N PRO A 98 15.126 11.285 -2.076 1.00 4.42 N ATOM 1528 CA PRO A 98 13.725 11.462 -2.486 1.00 73.21 C ATOM 1529 C PRO A 98 12.997 12.608 -1.751 1.00 42.24 C ATOM 1530 O PRO A 98 12.285 13.403 -2.371 1.00 3.11 O ATOM 1531 CB PRO A 98 13.114 10.105 -2.128 1.00 12.25 C ATOM 1532 CG PRO A 98 13.882 9.645 -0.928 1.00 75.05 C ATOM 1533 CD PRO A 98 15.273 10.227 -1.054 1.00 21.04 C ATOM 0 HA PRO A 98 13.638 11.743 -3.536 1.00 73.21 H new ATOM 0 HB2 PRO A 98 12.051 10.196 -1.906 1.00 12.25 H new ATOM 0 HB3 PRO A 98 13.208 9.399 -2.953 1.00 12.25 H new ATOM 0 HG2 PRO A 98 13.403 9.982 -0.009 1.00 75.05 H new ATOM 0 HG3 PRO A 98 13.920 8.556 -0.887 1.00 75.05 H new ATOM 0 HD2 PRO A 98 15.623 10.634 -0.105 1.00 21.04 H new ATOM 0 HD3 PRO A 98 15.996 9.471 -1.363 1.00 21.04 H new ATOM 1541 N ASP A 99 13.187 12.694 -0.436 1.00 14.41 N ATOM 1542 CA ASP A 99 12.434 13.623 0.410 1.00 71.10 C ATOM 1543 C ASP A 99 13.198 14.935 0.669 1.00 74.34 C ATOM 1544 O ASP A 99 14.410 15.018 0.463 1.00 12.00 O ATOM 1545 CB ASP A 99 12.117 12.943 1.747 1.00 64.10 C ATOM 1546 CG ASP A 99 13.375 12.648 2.555 1.00 73.31 C ATOM 1547 OD1 ASP A 99 14.246 11.900 2.057 1.00 41.23 O ATOM 1548 OD2 ASP A 99 13.511 13.181 3.675 1.00 73.41 O ATOM 0 H ASP A 99 13.864 12.125 0.073 1.00 14.41 H new ATOM 0 HA ASP A 99 11.516 13.881 -0.119 1.00 71.10 H new ATOM 0 HB2 ASP A 99 11.454 13.583 2.330 1.00 64.10 H new ATOM 0 HB3 ASP A 99 11.580 12.013 1.561 1.00 64.10 H new ATOM 1553 N THR A 100 12.471 15.954 1.114 1.00 12.50 N ATOM 1554 CA THR A 100 13.075 17.216 1.559 1.00 73.30 C ATOM 1555 C THR A 100 13.003 17.337 3.084 1.00 25.04 C ATOM 1556 O THR A 100 14.024 17.381 3.776 1.00 71.35 O ATOM 1557 CB THR A 100 12.376 18.443 0.923 1.00 42.03 C ATOM 1558 OG1 THR A 100 10.980 18.455 1.266 1.00 20.12 O ATOM 1559 CG2 THR A 100 12.526 18.431 -0.597 1.00 14.22 C ATOM 0 H THR A 100 11.453 15.935 1.178 1.00 12.50 H new ATOM 0 HA THR A 100 14.116 17.203 1.236 1.00 73.30 H new ATOM 0 HB THR A 100 12.854 19.341 1.315 1.00 42.03 H new ATOM 0 HG1 THR A 100 10.835 19.055 2.027 1.00 20.12 H new ATOM 0 HG21 THR A 100 12.026 19.303 -1.019 1.00 14.22 H new ATOM 0 HG22 THR A 100 13.584 18.457 -0.858 1.00 14.22 H new ATOM 0 HG23 THR A 100 12.075 17.524 -1.000 1.00 14.22 H new ATOM 1567 N ASP A 101 11.782 17.376 3.589 1.00 42.25 N ATOM 1568 CA ASP A 101 11.515 17.423 5.029 1.00 42.53 C ATOM 1569 C ASP A 101 11.304 16.007 5.595 1.00 11.01 C ATOM 1570 O ASP A 101 10.434 15.265 5.131 1.00 11.04 O ATOM 1571 CB ASP A 101 10.284 18.290 5.302 1.00 14.43 C ATOM 1572 CG ASP A 101 10.486 19.725 4.847 1.00 32.01 C ATOM 1573 OD1 ASP A 101 10.362 19.994 3.635 1.00 31.41 O ATOM 1574 OD2 ASP A 101 10.768 20.591 5.701 1.00 61.52 O ATOM 0 H ASP A 101 10.939 17.376 3.015 1.00 42.25 H new ATOM 0 HA ASP A 101 12.380 17.862 5.526 1.00 42.53 H new ATOM 0 HB2 ASP A 101 9.421 17.865 4.790 1.00 14.43 H new ATOM 0 HB3 ASP A 101 10.060 18.276 6.369 1.00 14.43 H new ATOM 1579 N LEU A 102 12.094 15.652 6.603 1.00 2.33 N ATOM 1580 CA LEU A 102 12.054 14.306 7.191 1.00 40.23 C ATOM 1581 C LEU A 102 11.072 14.223 8.376 1.00 20.14 C ATOM 1582 O LEU A 102 11.132 15.031 9.307 1.00 54.12 O ATOM 1583 CB LEU A 102 13.464 13.900 7.652 1.00 20.20 C ATOM 1584 CG LEU A 102 13.592 12.470 8.208 1.00 4.32 C ATOM 1585 CD1 LEU A 102 13.255 11.437 7.133 1.00 72.23 C ATOM 1586 CD2 LEU A 102 14.994 12.232 8.771 1.00 34.13 C ATOM 0 H LEU A 102 12.775 16.277 7.035 1.00 2.33 H new ATOM 0 HA LEU A 102 11.701 13.618 6.422 1.00 40.23 H new ATOM 0 HB2 LEU A 102 14.148 14.006 6.810 1.00 20.20 H new ATOM 0 HB3 LEU A 102 13.792 14.601 8.420 1.00 20.20 H new ATOM 0 HG LEU A 102 12.876 12.356 9.022 1.00 4.32 H new ATOM 0 HD11 LEU A 102 13.352 10.434 7.549 1.00 72.23 H new ATOM 0 HD12 LEU A 102 12.232 11.590 6.790 1.00 72.23 H new ATOM 0 HD13 LEU A 102 13.940 11.549 6.293 1.00 72.23 H new ATOM 0 HD21 LEU A 102 15.063 11.216 9.159 1.00 34.13 H new ATOM 0 HD22 LEU A 102 15.732 12.370 7.980 1.00 34.13 H new ATOM 0 HD23 LEU A 102 15.188 12.941 9.576 1.00 34.13 H new ATOM 1598 N ILE A 103 10.178 13.236 8.340 1.00 33.23 N ATOM 1599 CA ILE A 103 9.212 13.010 9.426 1.00 64.42 C ATOM 1600 C ILE A 103 9.653 11.834 10.320 1.00 12.10 C ATOM 1601 O ILE A 103 9.747 10.694 9.860 1.00 1.41 O ATOM 1602 CB ILE A 103 7.791 12.724 8.864 1.00 63.20 C ATOM 1603 CG1 ILE A 103 7.320 13.888 7.972 1.00 25.11 C ATOM 1604 CG2 ILE A 103 6.794 12.477 10.000 1.00 13.41 C ATOM 1605 CD1 ILE A 103 7.237 15.225 8.686 1.00 54.11 C ATOM 0 H ILE A 103 10.099 12.574 7.568 1.00 33.23 H new ATOM 0 HA ILE A 103 9.179 13.921 10.023 1.00 64.42 H new ATOM 0 HB ILE A 103 7.841 11.821 8.256 1.00 63.20 H new ATOM 0 HG12 ILE A 103 8.002 13.982 7.127 1.00 25.11 H new ATOM 0 HG13 ILE A 103 6.339 13.645 7.565 1.00 25.11 H new ATOM 0 HG21 ILE A 103 5.807 12.279 9.581 1.00 13.41 H new ATOM 0 HG22 ILE A 103 7.118 11.618 10.588 1.00 13.41 H new ATOM 0 HG23 ILE A 103 6.747 13.358 10.640 1.00 13.41 H new ATOM 0 HD11 ILE A 103 6.898 15.990 7.988 1.00 54.11 H new ATOM 0 HD12 ILE A 103 6.532 15.152 9.514 1.00 54.11 H new ATOM 0 HD13 ILE A 103 8.221 15.494 9.069 1.00 54.11 H new ATOM 1617 N VAL A 104 9.930 12.118 11.595 1.00 40.22 N ATOM 1618 CA VAL A 104 10.404 11.093 12.539 1.00 64.34 C ATOM 1619 C VAL A 104 9.409 10.863 13.698 1.00 51.45 C ATOM 1620 O VAL A 104 9.086 11.791 14.443 1.00 53.13 O ATOM 1621 CB VAL A 104 11.783 11.482 13.137 1.00 41.43 C ATOM 1622 CG1 VAL A 104 12.264 10.419 14.127 1.00 55.41 C ATOM 1623 CG2 VAL A 104 12.813 11.703 12.028 1.00 73.32 C ATOM 0 H VAL A 104 9.835 13.049 12.001 1.00 40.22 H new ATOM 0 HA VAL A 104 10.494 10.169 11.967 1.00 64.34 H new ATOM 0 HB VAL A 104 11.666 12.420 13.680 1.00 41.43 H new ATOM 0 HG11 VAL A 104 13.232 10.712 14.534 1.00 55.41 H new ATOM 0 HG12 VAL A 104 11.543 10.325 14.939 1.00 55.41 H new ATOM 0 HG13 VAL A 104 12.360 9.462 13.615 1.00 55.41 H new ATOM 0 HG21 VAL A 104 13.771 11.975 12.470 1.00 73.32 H new ATOM 0 HG22 VAL A 104 12.927 10.786 11.449 1.00 73.32 H new ATOM 0 HG23 VAL A 104 12.475 12.506 11.373 1.00 73.32 H new ATOM 1633 N PRO A 105 8.911 9.618 13.867 1.00 53.22 N ATOM 1634 CA PRO A 105 8.036 9.263 14.998 1.00 14.33 C ATOM 1635 C PRO A 105 8.813 9.136 16.328 1.00 12.54 C ATOM 1636 O PRO A 105 9.450 8.112 16.602 1.00 4.44 O ATOM 1637 CB PRO A 105 7.445 7.911 14.567 1.00 23.35 C ATOM 1638 CG PRO A 105 8.486 7.312 13.679 1.00 75.10 C ATOM 1639 CD PRO A 105 9.141 8.468 12.963 1.00 43.01 C ATOM 0 HA PRO A 105 7.283 10.025 15.196 1.00 14.33 H new ATOM 0 HB2 PRO A 105 7.244 7.274 15.428 1.00 23.35 H new ATOM 0 HB3 PRO A 105 6.500 8.041 14.039 1.00 23.35 H new ATOM 0 HG2 PRO A 105 9.217 6.749 14.260 1.00 75.10 H new ATOM 0 HG3 PRO A 105 8.039 6.616 12.969 1.00 75.10 H new ATOM 0 HD2 PRO A 105 10.205 8.290 12.805 1.00 43.01 H new ATOM 0 HD3 PRO A 105 8.696 8.635 11.982 1.00 43.01 H new ATOM 1647 N ASN A 106 8.777 10.192 17.142 1.00 34.30 N ATOM 1648 CA ASN A 106 9.511 10.227 18.418 1.00 53.21 C ATOM 1649 C ASN A 106 8.580 10.494 19.618 1.00 42.20 C ATOM 1650 O ASN A 106 9.011 11.006 20.652 1.00 52.31 O ATOM 1651 CB ASN A 106 10.614 11.290 18.338 1.00 33.43 C ATOM 1652 CG ASN A 106 10.103 12.635 17.841 1.00 21.14 C ATOM 1653 OD1 ASN A 106 8.948 12.995 18.038 1.00 50.22 O ATOM 1654 ND2 ASN A 106 10.961 13.385 17.183 1.00 13.22 N ATOM 0 H ASN A 106 8.246 11.040 16.943 1.00 34.30 H new ATOM 0 HA ASN A 106 9.957 9.246 18.582 1.00 53.21 H new ATOM 0 HB2 ASN A 106 11.061 11.418 19.324 1.00 33.43 H new ATOM 0 HB3 ASN A 106 11.403 10.938 17.674 1.00 33.43 H new ATOM 0 HD21 ASN A 106 10.671 14.294 16.821 1.00 13.22 H new ATOM 0 HD22 ASN A 106 11.916 13.058 17.035 1.00 13.22 H new ATOM 1661 N LEU A 107 7.308 10.118 19.483 1.00 75.54 N ATOM 1662 CA LEU A 107 6.318 10.308 20.555 1.00 1.02 C ATOM 1663 C LEU A 107 6.589 9.369 21.744 1.00 43.11 C ATOM 1664 O LEU A 107 6.841 8.175 21.558 1.00 4.43 O ATOM 1665 CB LEU A 107 4.891 10.086 20.023 1.00 53.42 C ATOM 1666 CG LEU A 107 4.370 11.141 19.027 1.00 34.51 C ATOM 1667 CD1 LEU A 107 4.459 12.543 19.626 1.00 42.30 C ATOM 1668 CD2 LEU A 107 5.116 11.069 17.693 1.00 21.53 C ATOM 0 H LEU A 107 6.934 9.679 18.642 1.00 75.54 H new ATOM 0 HA LEU A 107 6.409 11.336 20.906 1.00 1.02 H new ATOM 0 HB2 LEU A 107 4.852 9.109 19.541 1.00 53.42 H new ATOM 0 HB3 LEU A 107 4.209 10.049 20.873 1.00 53.42 H new ATOM 0 HG LEU A 107 3.321 10.920 18.829 1.00 34.51 H new ATOM 0 HD11 LEU A 107 4.086 13.271 18.905 1.00 42.30 H new ATOM 0 HD12 LEU A 107 3.857 12.590 20.534 1.00 42.30 H new ATOM 0 HD13 LEU A 107 5.497 12.770 19.867 1.00 42.30 H new ATOM 0 HD21 LEU A 107 4.723 11.827 17.015 1.00 21.53 H new ATOM 0 HD22 LEU A 107 6.178 11.247 17.860 1.00 21.53 H new ATOM 0 HD23 LEU A 107 4.979 10.082 17.252 1.00 21.53 H new ATOM 1680 N GLU A 108 6.528 9.910 22.960 1.00 22.34 N ATOM 1681 CA GLU A 108 6.819 9.133 24.177 1.00 12.50 C ATOM 1682 C GLU A 108 5.635 9.113 25.156 1.00 25.20 C ATOM 1683 O GLU A 108 4.958 10.122 25.353 1.00 71.13 O ATOM 1684 CB GLU A 108 8.047 9.705 24.893 1.00 44.21 C ATOM 1685 CG GLU A 108 9.357 9.509 24.144 1.00 3.21 C ATOM 1686 CD GLU A 108 10.555 10.002 24.939 1.00 31.14 C ATOM 1687 OE1 GLU A 108 10.945 9.327 25.919 1.00 72.22 O ATOM 1688 OE2 GLU A 108 11.108 11.064 24.592 1.00 23.30 O ATOM 0 H GLU A 108 6.280 10.884 23.135 1.00 22.34 H new ATOM 0 HA GLU A 108 7.011 8.109 23.856 1.00 12.50 H new ATOM 0 HB2 GLU A 108 7.893 10.771 25.058 1.00 44.21 H new ATOM 0 HB3 GLU A 108 8.130 9.239 25.875 1.00 44.21 H new ATOM 0 HG2 GLU A 108 9.487 8.452 23.914 1.00 3.21 H new ATOM 0 HG3 GLU A 108 9.312 10.039 23.193 1.00 3.21 H new ATOM 1695 N HIS A 109 5.401 7.950 25.766 1.00 32.40 N ATOM 1696 CA HIS A 109 4.375 7.782 26.805 1.00 32.51 C ATOM 1697 C HIS A 109 4.797 6.685 27.798 1.00 71.04 C ATOM 1698 O HIS A 109 5.281 5.633 27.386 1.00 53.24 O ATOM 1699 CB HIS A 109 3.014 7.421 26.182 1.00 51.40 C ATOM 1700 CG HIS A 109 2.409 8.516 25.351 1.00 3.22 C ATOM 1701 ND1 HIS A 109 2.222 8.422 23.988 1.00 31.24 N ATOM 1702 CD2 HIS A 109 1.934 9.736 25.703 1.00 5.31 C ATOM 1703 CE1 HIS A 109 1.662 9.528 23.540 1.00 20.41 C ATOM 1704 NE2 HIS A 109 1.479 10.339 24.561 1.00 55.34 N ATOM 0 H HIS A 109 5.916 7.095 25.556 1.00 32.40 H new ATOM 0 HA HIS A 109 4.275 8.729 27.335 1.00 32.51 H new ATOM 0 HB2 HIS A 109 3.135 6.533 25.561 1.00 51.40 H new ATOM 0 HB3 HIS A 109 2.319 7.159 26.980 1.00 51.40 H new ATOM 0 HD2 HIS A 109 1.918 10.154 26.699 1.00 5.31 H new ATOM 0 HE1 HIS A 109 1.399 9.733 22.513 1.00 20.41 H new ATOM 0 HE2 HIS A 109 1.064 11.269 24.509 1.00 55.34 H new ATOM 1713 N HIS A 110 4.616 6.924 29.098 1.00 71.23 N ATOM 1714 CA HIS A 110 5.020 5.946 30.126 1.00 64.14 C ATOM 1715 C HIS A 110 4.086 5.975 31.348 1.00 60.43 C ATOM 1716 O HIS A 110 3.526 7.016 31.692 1.00 63.01 O ATOM 1717 CB HIS A 110 6.469 6.200 30.568 1.00 63.24 C ATOM 1718 CG HIS A 110 6.708 7.583 31.105 1.00 11.33 C ATOM 1719 ND1 HIS A 110 6.599 7.911 32.441 1.00 43.20 N ATOM 1720 CD2 HIS A 110 7.075 8.722 30.474 1.00 30.24 C ATOM 1721 CE1 HIS A 110 6.883 9.188 32.603 1.00 24.43 C ATOM 1722 NE2 HIS A 110 7.178 9.705 31.428 1.00 54.32 N ATOM 0 H HIS A 110 4.197 7.777 29.468 1.00 71.23 H new ATOM 0 HA HIS A 110 4.947 4.956 29.676 1.00 64.14 H new ATOM 0 HB2 HIS A 110 6.738 5.472 31.333 1.00 63.24 H new ATOM 0 HB3 HIS A 110 7.132 6.030 29.720 1.00 63.24 H new ATOM 0 HD2 HIS A 110 7.254 8.837 29.415 1.00 30.24 H new ATOM 0 HE1 HIS A 110 6.875 9.721 33.542 1.00 24.43 H new ATOM 0 HE2 HIS A 110 7.440 10.676 31.255 1.00 54.32 H new ATOM 1731 N HIS A 111 3.926 4.821 32.001 1.00 73.42 N ATOM 1732 CA HIS A 111 3.071 4.703 33.193 1.00 45.44 C ATOM 1733 C HIS A 111 3.765 3.881 34.295 1.00 61.24 C ATOM 1734 O HIS A 111 4.436 2.890 34.010 1.00 33.14 O ATOM 1735 CB HIS A 111 1.743 4.025 32.826 1.00 43.34 C ATOM 1736 CG HIS A 111 1.080 4.597 31.609 1.00 35.32 C ATOM 1737 ND1 HIS A 111 1.245 4.066 30.348 1.00 71.44 N ATOM 1738 CD2 HIS A 111 0.251 5.656 31.460 1.00 62.43 C ATOM 1739 CE1 HIS A 111 0.550 4.770 29.479 1.00 51.53 C ATOM 1740 NE2 HIS A 111 -0.063 5.738 30.125 1.00 14.23 N ATOM 0 H HIS A 111 4.378 3.949 31.725 1.00 73.42 H new ATOM 0 HA HIS A 111 2.884 5.709 33.568 1.00 45.44 H new ATOM 0 HB2 HIS A 111 1.923 2.962 32.663 1.00 43.34 H new ATOM 0 HB3 HIS A 111 1.060 4.107 33.671 1.00 43.34 H new ATOM 0 HD2 HIS A 111 -0.098 6.313 32.243 1.00 62.43 H new ATOM 0 HE1 HIS A 111 0.493 4.584 28.417 1.00 51.53 H new ATOM 0 HE2 HIS A 111 -0.674 6.437 29.703 1.00 14.23 H new ATOM 1749 N HIS A 112 3.587 4.283 35.554 1.00 5.30 N ATOM 1750 CA HIS A 112 4.134 3.529 36.692 1.00 2.43 C ATOM 1751 C HIS A 112 3.150 2.441 37.160 1.00 4.42 C ATOM 1752 O HIS A 112 2.248 2.702 37.961 1.00 40.12 O ATOM 1753 CB HIS A 112 4.477 4.470 37.858 1.00 14.53 C ATOM 1754 CG HIS A 112 5.627 5.391 37.576 1.00 71.03 C ATOM 1755 ND1 HIS A 112 6.945 5.021 37.737 1.00 74.04 N ATOM 1756 CD2 HIS A 112 5.654 6.677 37.147 1.00 74.22 C ATOM 1757 CE1 HIS A 112 7.729 6.034 37.422 1.00 72.14 C ATOM 1758 NE2 HIS A 112 6.971 7.047 37.061 1.00 10.45 N ATOM 0 H HIS A 112 3.071 5.123 35.815 1.00 5.30 H new ATOM 0 HA HIS A 112 5.050 3.043 36.356 1.00 2.43 H new ATOM 0 HB2 HIS A 112 3.598 5.066 38.102 1.00 14.53 H new ATOM 0 HB3 HIS A 112 4.711 3.872 38.739 1.00 14.53 H new ATOM 0 HD2 HIS A 112 4.798 7.294 36.916 1.00 74.22 H new ATOM 0 HE1 HIS A 112 8.808 6.032 37.455 1.00 72.14 H new ATOM 0 HE2 HIS A 112 7.310 7.962 36.764 1.00 10.45 H new ATOM 1767 N HIS A 113 3.325 1.224 36.647 1.00 73.24 N ATOM 1768 CA HIS A 113 2.440 0.098 36.982 1.00 11.51 C ATOM 1769 C HIS A 113 2.962 -0.688 38.193 1.00 34.01 C ATOM 1770 O HIS A 113 4.051 -0.415 38.693 1.00 62.52 O ATOM 1771 CB HIS A 113 2.295 -0.842 35.779 1.00 60.10 C ATOM 1772 CG HIS A 113 1.641 -0.206 34.591 1.00 10.23 C ATOM 1773 ND1 HIS A 113 2.252 -0.088 33.358 1.00 1.53 N ATOM 1774 CD2 HIS A 113 0.409 0.338 34.446 1.00 52.41 C ATOM 1775 CE1 HIS A 113 1.426 0.495 32.514 1.00 10.01 C ATOM 1776 NE2 HIS A 113 0.305 0.762 33.149 1.00 61.00 N ATOM 0 H HIS A 113 4.073 0.987 35.995 1.00 73.24 H new ATOM 0 HA HIS A 113 1.465 0.512 37.239 1.00 11.51 H new ATOM 0 HB2 HIS A 113 3.282 -1.202 35.489 1.00 60.10 H new ATOM 0 HB3 HIS A 113 1.714 -1.714 36.079 1.00 60.10 H new ATOM 0 HD2 HIS A 113 -0.349 0.421 35.211 1.00 52.41 H new ATOM 0 HE1 HIS A 113 1.633 0.716 31.477 1.00 10.01 H new ATOM 0 HE2 HIS A 113 -0.513 1.214 32.739 1.00 61.00 H new ATOM 1785 N HIS A 114 2.172 -1.663 38.651 1.00 2.34 N ATOM 1786 CA HIS A 114 2.534 -2.514 39.802 1.00 70.22 C ATOM 1787 C HIS A 114 2.679 -1.701 41.110 1.00 60.31 C ATOM 1788 O HIS A 114 1.674 -1.575 41.848 1.00 37.48 O ATOM 1789 CB HIS A 114 3.816 -3.309 39.510 1.00 34.35 C ATOM 1790 CG HIS A 114 3.677 -4.262 38.362 1.00 64.02 C ATOM 1791 ND1 HIS A 114 4.625 -4.403 37.372 1.00 63.23 N ATOM 1792 CD2 HIS A 114 2.694 -5.143 38.063 1.00 53.01 C ATOM 1793 CE1 HIS A 114 4.230 -5.322 36.514 1.00 32.32 C ATOM 1794 NE2 HIS A 114 3.063 -5.785 36.910 1.00 41.31 N ATOM 1795 OXT HIS A 114 3.787 -1.203 41.399 1.00 37.48 O ATOM 0 H HIS A 114 1.266 -1.889 38.241 1.00 2.34 H new ATOM 0 HA HIS A 114 1.714 -3.216 39.951 1.00 70.22 H new ATOM 0 HB2 HIS A 114 4.627 -2.612 39.298 1.00 34.35 H new ATOM 0 HB3 HIS A 114 4.100 -3.866 40.403 1.00 34.35 H new ATOM 0 HD2 HIS A 114 1.788 -5.309 38.627 1.00 53.01 H new ATOM 0 HE1 HIS A 114 4.771 -5.641 35.636 1.00 32.32 H new ATOM 0 HE2 HIS A 114 2.520 -6.506 36.435 1.00 41.31 H new TER 1804 HIS A 114