USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=26 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 41 GLN : amide:sc= -0.219 X(o=-4.6,f=-5) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.171 K(o=-4.6,f=-6.1) USER MOD Set 1.3: A 58 ASN : amide:sc= -1.91 K(o=-4.6,f=-14!) USER MOD Set 1.4: A 59 SER OG : rot 85:sc= 0.786 USER MOD Set 1.5: A 79 CYS SG : rot 150:sc= -0.126 USER MOD Set 1.6: A 82 HIS : no HE2:sc= -3.33! C(o=-4.6!,f=-10!) USER MOD Set 2.1: A 1 MET N :NH3+ -154:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 3 ASN : amide:sc= 1.08 K(o=2.3,f=-9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -39:sc= 1.25 USER MOD Single : A 14 GLN : amide:sc= 0.855 K(o=0.85,f=0) USER MOD Single : A 15 ASN : amide:sc= -3.13! K(o=-3.1!,f=-0.19) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -150:sc= 0.0253 USER MOD Single : A 27 HIS : no HE2:sc= 0.0694 K(o=0.069,f=-0.47) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= -0.0128 (180deg=-0.105) USER MOD Single : A 30 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.38) USER MOD Single : A 32 GLN : amide:sc= -0.578 K(o=-0.58,f=-1.2) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 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 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -160:sc= -0.143 (180deg=-0.656) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0532) USER MOD Single : A 62 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.48) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0.929 (180deg=0.715) USER MOD Single : A 67 MET CE :methyl 155:sc= 0 (180deg=-0.931) 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+ 178:sc= 0 (180deg=-0.00606) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0922) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0.635 (180deg=0.596) USER MOD Single : A 90 SER OG : rot -146:sc= 0.439 USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.78 USER MOD Single : A 92 GLN : amide:sc= -0.961 K(o=-0.96,f=-7.7!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 36:sc= 0.588 USER MOD Single : A 96 LYS NZ :NH3+ -117:sc= -0.114 (180deg=-0.989) USER MOD Single : A 100 THR OG1 : rot -1:sc= 0.27 USER MOD Single : A 106 ASN : amide:sc= 0.322 X(o=0.32,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.818 K(o=-0.82,f=-0.26) USER MOD Single : A 110 HIS : no HE2:sc= 0.34 K(o=0.34,f=-1.7) USER MOD Single : A 111 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.0713 X(o=-0.071,f=-0.017) USER MOD Single : A 113 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.341 -22.153 0.705 1.00 32.21 N ATOM 2 CA MET A 1 18.923 -22.408 1.070 1.00 1.14 C ATOM 3 C MET A 1 18.218 -21.095 1.428 1.00 72.21 C ATOM 4 O MET A 1 18.530 -20.481 2.446 1.00 4.12 O ATOM 5 CB MET A 1 18.849 -23.387 2.252 1.00 42.15 C ATOM 6 CG MET A 1 17.426 -23.718 2.685 1.00 13.14 C ATOM 7 SD MET A 1 16.454 -24.459 1.359 1.00 41.04 S ATOM 8 CE MET A 1 14.850 -24.590 2.148 1.00 44.32 C ATOM 0 H1 MET A 1 20.677 -22.905 0.070 1.00 32.21 H new ATOM 0 H2 MET A 1 20.416 -21.234 0.224 1.00 32.21 H new ATOM 0 H3 MET A 1 20.924 -22.141 1.566 1.00 32.21 H new ATOM 0 HA MET A 1 18.418 -22.851 0.212 1.00 1.14 H new ATOM 0 HB2 MET A 1 19.361 -24.310 1.980 1.00 42.15 H new ATOM 0 HB3 MET A 1 19.387 -22.962 3.099 1.00 42.15 H new ATOM 0 HG2 MET A 1 17.458 -24.402 3.533 1.00 13.14 H new ATOM 0 HG3 MET A 1 16.933 -22.808 3.027 1.00 13.14 H new ATOM 0 HE1 MET A 1 14.137 -25.032 1.452 1.00 44.32 H new ATOM 0 HE2 MET A 1 14.931 -25.220 3.034 1.00 44.32 H new ATOM 0 HE3 MET A 1 14.505 -23.598 2.439 1.00 44.32 H new ATOM 20 N LYS A 2 17.270 -20.669 0.591 1.00 71.01 N ATOM 21 CA LYS A 2 16.584 -19.377 0.769 1.00 43.55 C ATOM 22 C LYS A 2 17.592 -18.213 0.835 1.00 22.42 C ATOM 23 O LYS A 2 17.823 -17.626 1.896 1.00 12.35 O ATOM 24 CB LYS A 2 15.697 -19.390 2.028 1.00 70.25 C ATOM 25 CG LYS A 2 14.521 -20.366 1.957 1.00 62.03 C ATOM 26 CD LYS A 2 13.692 -20.358 3.243 1.00 63.34 C ATOM 27 CE LYS A 2 13.111 -18.980 3.549 1.00 74.52 C ATOM 28 NZ LYS A 2 12.331 -18.966 4.819 1.00 53.04 N ATOM 0 H LYS A 2 16.955 -21.199 -0.222 1.00 71.01 H new ATOM 0 HA LYS A 2 15.945 -19.224 -0.101 1.00 43.55 H new ATOM 0 HB2 LYS A 2 16.313 -19.644 2.890 1.00 70.25 H new ATOM 0 HB3 LYS A 2 15.311 -18.385 2.197 1.00 70.25 H new ATOM 0 HG2 LYS A 2 13.883 -20.104 1.113 1.00 62.03 H new ATOM 0 HG3 LYS A 2 14.896 -21.373 1.773 1.00 62.03 H new ATOM 0 HD2 LYS A 2 12.881 -21.080 3.154 1.00 63.34 H new ATOM 0 HD3 LYS A 2 14.316 -20.680 4.077 1.00 63.34 H new ATOM 0 HE2 LYS A 2 13.920 -18.253 3.614 1.00 74.52 H new ATOM 0 HE3 LYS A 2 12.468 -18.668 2.726 1.00 74.52 H new ATOM 0 HZ1 LYS A 2 11.956 -18.010 4.986 1.00 53.04 H new ATOM 0 HZ2 LYS A 2 11.542 -19.640 4.749 1.00 53.04 H new ATOM 0 HZ3 LYS A 2 12.950 -19.238 5.609 1.00 53.04 H new ATOM 42 N ASN A 3 18.201 -17.897 -0.308 1.00 62.25 N ATOM 43 CA ASN A 3 19.235 -16.855 -0.386 1.00 12.34 C ATOM 44 C ASN A 3 18.742 -15.634 -1.182 1.00 71.22 C ATOM 45 O ASN A 3 18.353 -15.753 -2.345 1.00 21.44 O ATOM 46 CB ASN A 3 20.501 -17.432 -1.032 1.00 25.42 C ATOM 47 CG ASN A 3 21.076 -18.594 -0.239 1.00 3.23 C ATOM 48 OD1 ASN A 3 20.705 -19.746 -0.438 1.00 54.52 O ATOM 49 ND2 ASN A 3 21.987 -18.304 0.667 1.00 61.31 N ATOM 0 H ASN A 3 17.997 -18.349 -1.200 1.00 62.25 H new ATOM 0 HA ASN A 3 19.462 -16.522 0.627 1.00 12.34 H new ATOM 0 HB2 ASN A 3 20.270 -17.765 -2.044 1.00 25.42 H new ATOM 0 HB3 ASN A 3 21.252 -16.647 -1.118 1.00 25.42 H new ATOM 0 HD21 ASN A 3 22.405 -19.048 1.226 1.00 61.31 H new ATOM 0 HD22 ASN A 3 22.275 -17.336 0.809 1.00 61.31 H new ATOM 56 N THR A 4 18.768 -14.460 -0.549 1.00 24.11 N ATOM 57 CA THR A 4 18.283 -13.217 -1.173 1.00 63.21 C ATOM 58 C THR A 4 19.439 -12.289 -1.586 1.00 1.34 C ATOM 59 O THR A 4 20.418 -12.128 -0.851 1.00 41.34 O ATOM 60 CB THR A 4 17.340 -12.443 -0.215 1.00 74.40 C ATOM 61 OG1 THR A 4 16.132 -13.189 0.009 1.00 60.50 O ATOM 62 CG2 THR A 4 16.989 -11.067 -0.770 1.00 2.35 C ATOM 0 H THR A 4 19.121 -14.339 0.400 1.00 24.11 H new ATOM 0 HA THR A 4 17.736 -13.516 -2.067 1.00 63.21 H new ATOM 0 HB THR A 4 17.869 -12.311 0.729 1.00 74.40 H new ATOM 0 HG1 THR A 4 15.547 -12.690 0.617 1.00 60.50 H new ATOM 0 HG21 THR A 4 16.327 -10.552 -0.074 1.00 2.35 H new ATOM 0 HG22 THR A 4 17.901 -10.485 -0.902 1.00 2.35 H new ATOM 0 HG23 THR A 4 16.488 -11.179 -1.731 1.00 2.35 H new ATOM 70 N GLY A 5 19.317 -11.674 -2.762 1.00 52.35 N ATOM 71 CA GLY A 5 20.308 -10.702 -3.215 1.00 32.04 C ATOM 72 C GLY A 5 20.101 -9.324 -2.590 1.00 24.23 C ATOM 73 O GLY A 5 20.932 -8.853 -1.813 1.00 23.54 O ATOM 0 H GLY A 5 18.548 -11.831 -3.413 1.00 52.35 H new ATOM 0 HA2 GLY A 5 21.306 -11.063 -2.968 1.00 32.04 H new ATOM 0 HA3 GLY A 5 20.259 -10.617 -4.301 1.00 32.04 H new ATOM 77 N ASP A 6 18.975 -8.697 -2.916 1.00 10.52 N ATOM 78 CA ASP A 6 18.622 -7.377 -2.377 1.00 22.21 C ATOM 79 C ASP A 6 17.260 -7.412 -1.661 1.00 64.31 C ATOM 80 O ASP A 6 16.391 -8.219 -2.000 1.00 12.35 O ATOM 81 CB ASP A 6 18.607 -6.336 -3.502 1.00 53.40 C ATOM 82 CG ASP A 6 17.797 -6.794 -4.703 1.00 51.24 C ATOM 83 OD1 ASP A 6 16.568 -6.592 -4.720 1.00 75.21 O ATOM 84 OD2 ASP A 6 18.391 -7.386 -5.633 1.00 55.24 O ATOM 0 H ASP A 6 18.281 -9.082 -3.557 1.00 10.52 H new ATOM 0 HA ASP A 6 19.378 -7.097 -1.643 1.00 22.21 H new ATOM 0 HB2 ASP A 6 18.193 -5.401 -3.123 1.00 53.40 H new ATOM 0 HB3 ASP A 6 19.630 -6.128 -3.815 1.00 53.40 H new ATOM 89 N GLU A 7 17.072 -6.536 -0.672 1.00 42.11 N ATOM 90 CA GLU A 7 15.824 -6.507 0.111 1.00 40.24 C ATOM 91 C GLU A 7 15.138 -5.129 0.055 1.00 41.32 C ATOM 92 O GLU A 7 15.742 -4.107 0.393 1.00 15.32 O ATOM 93 CB GLU A 7 16.104 -6.903 1.573 1.00 4.41 C ATOM 94 CG GLU A 7 16.567 -8.351 1.735 1.00 44.02 C ATOM 95 CD GLU A 7 16.868 -8.735 3.178 1.00 64.32 C ATOM 96 OE1 GLU A 7 17.986 -8.440 3.654 1.00 11.44 O ATOM 97 OE2 GLU A 7 15.995 -9.338 3.841 1.00 62.24 O ATOM 0 H GLU A 7 17.761 -5.838 -0.391 1.00 42.11 H new ATOM 0 HA GLU A 7 15.141 -7.230 -0.335 1.00 40.24 H new ATOM 0 HB2 GLU A 7 16.865 -6.239 1.982 1.00 4.41 H new ATOM 0 HB3 GLU A 7 15.199 -6.751 2.162 1.00 4.41 H new ATOM 0 HG2 GLU A 7 15.797 -9.016 1.343 1.00 44.02 H new ATOM 0 HG3 GLU A 7 17.461 -8.508 1.132 1.00 44.02 H new ATOM 104 N VAL A 8 13.870 -5.112 -0.371 1.00 51.00 N ATOM 105 CA VAL A 8 13.088 -3.871 -0.470 1.00 72.11 C ATOM 106 C VAL A 8 11.881 -3.870 0.490 1.00 40.21 C ATOM 107 O VAL A 8 11.345 -4.923 0.847 1.00 42.53 O ATOM 108 CB VAL A 8 12.585 -3.634 -1.919 1.00 53.22 C ATOM 109 CG1 VAL A 8 13.761 -3.518 -2.889 1.00 4.03 C ATOM 110 CG2 VAL A 8 11.626 -4.744 -2.356 1.00 12.33 C ATOM 0 H VAL A 8 13.360 -5.948 -0.655 1.00 51.00 H new ATOM 0 HA VAL A 8 13.761 -3.062 -0.185 1.00 72.11 H new ATOM 0 HB VAL A 8 12.037 -2.692 -1.935 1.00 53.22 H new ATOM 0 HG11 VAL A 8 13.385 -3.352 -3.899 1.00 4.03 H new ATOM 0 HG12 VAL A 8 14.394 -2.680 -2.595 1.00 4.03 H new ATOM 0 HG13 VAL A 8 14.344 -4.439 -2.866 1.00 4.03 H new ATOM 0 HG21 VAL A 8 11.289 -4.553 -3.375 1.00 12.33 H new ATOM 0 HG22 VAL A 8 12.140 -5.705 -2.318 1.00 12.33 H new ATOM 0 HG23 VAL A 8 10.766 -4.766 -1.687 1.00 12.33 H new ATOM 120 N VAL A 9 11.459 -2.673 0.902 1.00 63.50 N ATOM 121 CA VAL A 9 10.319 -2.510 1.814 1.00 25.10 C ATOM 122 C VAL A 9 9.272 -1.533 1.246 1.00 75.13 C ATOM 123 O VAL A 9 9.609 -0.594 0.523 1.00 54.12 O ATOM 124 CB VAL A 9 10.774 -2.003 3.209 1.00 50.31 C ATOM 125 CG1 VAL A 9 11.683 -3.025 3.892 1.00 62.45 C ATOM 126 CG2 VAL A 9 11.473 -0.646 3.098 1.00 33.52 C ATOM 0 H VAL A 9 11.892 -1.794 0.617 1.00 63.50 H new ATOM 0 HA VAL A 9 9.867 -3.496 1.920 1.00 25.10 H new ATOM 0 HB VAL A 9 9.884 -1.876 3.825 1.00 50.31 H new ATOM 0 HG11 VAL A 9 11.988 -2.646 4.867 1.00 62.45 H new ATOM 0 HG12 VAL A 9 11.144 -3.964 4.020 1.00 62.45 H new ATOM 0 HG13 VAL A 9 12.566 -3.195 3.276 1.00 62.45 H new ATOM 0 HG21 VAL A 9 11.782 -0.314 4.089 1.00 33.52 H new ATOM 0 HG22 VAL A 9 12.350 -0.740 2.457 1.00 33.52 H new ATOM 0 HG23 VAL A 9 10.786 0.083 2.668 1.00 33.52 H new ATOM 136 N ALA A 10 8.003 -1.766 1.576 1.00 11.21 N ATOM 137 CA ALA A 10 6.906 -0.892 1.140 1.00 31.44 C ATOM 138 C ALA A 10 6.437 0.033 2.275 1.00 73.35 C ATOM 139 O ALA A 10 5.922 -0.428 3.300 1.00 70.31 O ATOM 140 CB ALA A 10 5.739 -1.727 0.621 1.00 25.21 C ATOM 0 H ALA A 10 7.704 -2.556 2.147 1.00 11.21 H new ATOM 0 HA ALA A 10 7.281 -0.264 0.332 1.00 31.44 H new ATOM 0 HB1 ALA A 10 4.933 -1.067 0.301 1.00 25.21 H new ATOM 0 HB2 ALA A 10 6.071 -2.330 -0.224 1.00 25.21 H new ATOM 0 HB3 ALA A 10 5.379 -2.381 1.415 1.00 25.21 H new ATOM 146 N ILE A 11 6.622 1.338 2.088 1.00 42.35 N ATOM 147 CA ILE A 11 6.231 2.337 3.090 1.00 40.11 C ATOM 148 C ILE A 11 4.892 3.000 2.720 1.00 54.45 C ATOM 149 O ILE A 11 4.780 3.670 1.691 1.00 14.33 O ATOM 150 CB ILE A 11 7.319 3.434 3.234 1.00 64.14 C ATOM 151 CG1 ILE A 11 8.697 2.799 3.489 1.00 63.40 C ATOM 152 CG2 ILE A 11 6.961 4.411 4.355 1.00 74.11 C ATOM 153 CD1 ILE A 11 8.768 1.943 4.735 1.00 5.23 C ATOM 0 H ILE A 11 7.043 1.734 1.247 1.00 42.35 H new ATOM 0 HA ILE A 11 6.119 1.814 4.040 1.00 40.11 H new ATOM 0 HB ILE A 11 7.365 3.992 2.299 1.00 64.14 H new ATOM 0 HG12 ILE A 11 8.968 2.189 2.627 1.00 63.40 H new ATOM 0 HG13 ILE A 11 9.441 3.592 3.564 1.00 63.40 H new ATOM 0 HG21 ILE A 11 7.738 5.171 4.437 1.00 74.11 H new ATOM 0 HG22 ILE A 11 6.008 4.890 4.130 1.00 74.11 H new ATOM 0 HG23 ILE A 11 6.882 3.870 5.298 1.00 74.11 H new ATOM 0 HD11 ILE A 11 9.773 1.535 4.839 1.00 5.23 H new ATOM 0 HD12 ILE A 11 8.531 2.551 5.608 1.00 5.23 H new ATOM 0 HD13 ILE A 11 8.051 1.126 4.657 1.00 5.23 H new ATOM 165 N ILE A 12 3.878 2.804 3.561 1.00 60.31 N ATOM 166 CA ILE A 12 2.546 3.375 3.325 1.00 14.43 C ATOM 167 C ILE A 12 2.349 4.679 4.117 1.00 61.51 C ATOM 168 O ILE A 12 2.550 4.721 5.334 1.00 42.02 O ATOM 169 CB ILE A 12 1.409 2.379 3.705 1.00 1.02 C ATOM 170 CG1 ILE A 12 1.456 1.100 2.838 1.00 41.15 C ATOM 171 CG2 ILE A 12 0.041 3.053 3.579 1.00 61.14 C ATOM 172 CD1 ILE A 12 2.612 0.169 3.149 1.00 13.23 C ATOM 0 H ILE A 12 3.951 2.253 4.416 1.00 60.31 H new ATOM 0 HA ILE A 12 2.488 3.584 2.257 1.00 14.43 H new ATOM 0 HB ILE A 12 1.566 2.084 4.743 1.00 1.02 H new ATOM 0 HG12 ILE A 12 0.522 0.554 2.968 1.00 41.15 H new ATOM 0 HG13 ILE A 12 1.512 1.390 1.789 1.00 41.15 H new ATOM 0 HG21 ILE A 12 -0.741 2.343 3.848 1.00 61.14 H new ATOM 0 HG22 ILE A 12 -0.004 3.913 4.248 1.00 61.14 H new ATOM 0 HG23 ILE A 12 -0.108 3.384 2.551 1.00 61.14 H new ATOM 0 HD11 ILE A 12 2.565 -0.701 2.493 1.00 13.23 H new ATOM 0 HD12 ILE A 12 3.554 0.693 2.990 1.00 13.23 H new ATOM 0 HD13 ILE A 12 2.548 -0.156 4.188 1.00 13.23 H new ATOM 184 N SER A 13 1.945 5.740 3.421 1.00 31.04 N ATOM 185 CA SER A 13 1.691 7.042 4.057 1.00 30.53 C ATOM 186 C SER A 13 0.269 7.541 3.766 1.00 50.13 C ATOM 187 O SER A 13 -0.332 7.198 2.747 1.00 41.21 O ATOM 188 CB SER A 13 2.709 8.089 3.577 1.00 31.24 C ATOM 189 OG SER A 13 2.510 8.426 2.210 1.00 65.25 O ATOM 0 H SER A 13 1.785 5.729 2.414 1.00 31.04 H new ATOM 0 HA SER A 13 1.796 6.902 5.133 1.00 30.53 H new ATOM 0 HB2 SER A 13 2.624 8.987 4.189 1.00 31.24 H new ATOM 0 HB3 SER A 13 3.719 7.704 3.714 1.00 31.24 H new ATOM 0 HG SER A 13 2.285 7.618 1.703 1.00 65.25 H new ATOM 195 N GLN A 14 -0.258 8.353 4.673 1.00 20.04 N ATOM 196 CA GLN A 14 -1.602 8.925 4.539 1.00 33.32 C ATOM 197 C GLN A 14 -1.624 10.392 4.995 1.00 71.21 C ATOM 198 O GLN A 14 -1.171 10.717 6.095 1.00 32.32 O ATOM 199 CB GLN A 14 -2.598 8.097 5.366 1.00 53.32 C ATOM 200 CG GLN A 14 -4.013 8.666 5.399 1.00 54.52 C ATOM 201 CD GLN A 14 -4.950 7.852 6.277 1.00 2.43 C ATOM 202 OE1 GLN A 14 -5.056 8.087 7.476 1.00 3.54 O ATOM 203 NE2 GLN A 14 -5.635 6.888 5.694 1.00 35.23 N ATOM 0 H GLN A 14 0.229 8.637 5.523 1.00 20.04 H new ATOM 0 HA GLN A 14 -1.890 8.895 3.488 1.00 33.32 H new ATOM 0 HB2 GLN A 14 -2.635 7.085 4.962 1.00 53.32 H new ATOM 0 HB3 GLN A 14 -2.227 8.018 6.388 1.00 53.32 H new ATOM 0 HG2 GLN A 14 -3.979 9.693 5.764 1.00 54.52 H new ATOM 0 HG3 GLN A 14 -4.410 8.701 4.385 1.00 54.52 H new ATOM 0 HE21 GLN A 14 -5.525 6.717 4.694 1.00 35.23 H new ATOM 0 HE22 GLN A 14 -6.275 6.313 6.243 1.00 35.23 H new ATOM 212 N ASN A 15 -2.129 11.276 4.128 1.00 23.02 N ATOM 213 CA ASN A 15 -2.255 12.712 4.439 1.00 52.02 C ATOM 214 C ASN A 15 -0.891 13.372 4.724 1.00 72.34 C ATOM 215 O ASN A 15 -0.827 14.475 5.273 1.00 64.35 O ATOM 216 CB ASN A 15 -3.212 12.922 5.628 1.00 75.15 C ATOM 217 CG ASN A 15 -4.663 12.593 5.297 1.00 13.30 C ATOM 218 OD1 ASN A 15 -5.585 13.184 5.845 1.00 33.04 O ATOM 219 ND2 ASN A 15 -4.888 11.648 4.405 1.00 45.13 N ATOM 0 H ASN A 15 -2.461 11.024 3.197 1.00 23.02 H new ATOM 0 HA ASN A 15 -2.669 13.197 3.555 1.00 52.02 H new ATOM 0 HB2 ASN A 15 -2.887 12.300 6.462 1.00 75.15 H new ATOM 0 HB3 ASN A 15 -3.148 13.959 5.959 1.00 75.15 H new ATOM 0 HD21 ASN A 15 -5.845 11.396 4.159 1.00 45.13 H new ATOM 0 HD22 ASN A 15 -4.105 11.169 3.961 1.00 45.13 H new ATOM 226 N GLY A 16 0.196 12.707 4.324 1.00 20.40 N ATOM 227 CA GLY A 16 1.536 13.258 4.517 1.00 63.54 C ATOM 228 C GLY A 16 2.406 12.443 5.472 1.00 54.32 C ATOM 229 O GLY A 16 3.627 12.386 5.316 1.00 34.35 O ATOM 0 H GLY A 16 0.174 11.795 3.869 1.00 20.40 H new ATOM 0 HA2 GLY A 16 2.035 13.322 3.550 1.00 63.54 H new ATOM 0 HA3 GLY A 16 1.449 14.275 4.898 1.00 63.54 H new ATOM 233 N LYS A 17 1.786 11.803 6.463 1.00 21.21 N ATOM 234 CA LYS A 17 2.533 11.040 7.475 1.00 51.03 C ATOM 235 C LYS A 17 2.556 9.535 7.164 1.00 71.51 C ATOM 236 O LYS A 17 1.607 8.993 6.600 1.00 33.14 O ATOM 237 CB LYS A 17 1.925 11.260 8.867 1.00 40.10 C ATOM 238 CG LYS A 17 0.479 10.780 8.993 1.00 14.10 C ATOM 239 CD LYS A 17 0.037 10.679 10.449 1.00 60.22 C ATOM 240 CE LYS A 17 0.896 9.683 11.226 1.00 71.13 C ATOM 241 NZ LYS A 17 0.406 9.489 12.613 1.00 73.22 N ATOM 0 H LYS A 17 0.774 11.795 6.591 1.00 21.21 H new ATOM 0 HA LYS A 17 3.559 11.406 7.456 1.00 51.03 H new ATOM 0 HB2 LYS A 17 2.536 10.741 9.606 1.00 40.10 H new ATOM 0 HB3 LYS A 17 1.967 12.322 9.108 1.00 40.10 H new ATOM 0 HG2 LYS A 17 -0.179 11.467 8.461 1.00 14.10 H new ATOM 0 HG3 LYS A 17 0.377 9.806 8.514 1.00 14.10 H new ATOM 0 HD2 LYS A 17 0.101 11.660 10.919 1.00 60.22 H new ATOM 0 HD3 LYS A 17 -1.008 10.372 10.493 1.00 60.22 H new ATOM 0 HE2 LYS A 17 0.900 8.725 10.706 1.00 71.13 H new ATOM 0 HE3 LYS A 17 1.927 10.036 11.252 1.00 71.13 H new ATOM 0 HZ1 LYS A 17 1.017 8.806 13.105 1.00 73.22 H new ATOM 0 HZ2 LYS A 17 0.426 10.398 13.118 1.00 73.22 H new ATOM 0 HZ3 LYS A 17 -0.569 9.127 12.589 1.00 73.22 H new ATOM 255 N VAL A 18 3.644 8.861 7.533 1.00 71.21 N ATOM 256 CA VAL A 18 3.727 7.401 7.410 1.00 10.45 C ATOM 257 C VAL A 18 2.798 6.721 8.430 1.00 60.42 C ATOM 258 O VAL A 18 2.757 7.112 9.598 1.00 20.34 O ATOM 259 CB VAL A 18 5.181 6.900 7.617 1.00 33.42 C ATOM 260 CG1 VAL A 18 5.261 5.376 7.514 1.00 54.03 C ATOM 261 CG2 VAL A 18 6.128 7.562 6.614 1.00 34.21 C ATOM 0 H VAL A 18 4.480 9.299 7.919 1.00 71.21 H new ATOM 0 HA VAL A 18 3.410 7.137 6.401 1.00 10.45 H new ATOM 0 HB VAL A 18 5.493 7.183 8.622 1.00 33.42 H new ATOM 0 HG11 VAL A 18 6.292 5.055 7.663 1.00 54.03 H new ATOM 0 HG12 VAL A 18 4.626 4.926 8.277 1.00 54.03 H new ATOM 0 HG13 VAL A 18 4.922 5.060 6.528 1.00 54.03 H new ATOM 0 HG21 VAL A 18 7.142 7.197 6.776 1.00 34.21 H new ATOM 0 HG22 VAL A 18 5.812 7.318 5.600 1.00 34.21 H new ATOM 0 HG23 VAL A 18 6.105 8.643 6.751 1.00 34.21 H new ATOM 271 N ILE A 19 2.042 5.714 7.991 1.00 51.43 N ATOM 272 CA ILE A 19 1.079 5.032 8.872 1.00 52.23 C ATOM 273 C ILE A 19 1.373 3.527 9.026 1.00 73.34 C ATOM 274 O ILE A 19 1.070 2.937 10.062 1.00 22.34 O ATOM 275 CB ILE A 19 -0.376 5.213 8.367 1.00 74.40 C ATOM 276 CG1 ILE A 19 -0.536 4.630 6.951 1.00 5.01 C ATOM 277 CG2 ILE A 19 -0.775 6.692 8.398 1.00 55.21 C ATOM 278 CD1 ILE A 19 -1.958 4.659 6.435 1.00 21.12 C ATOM 0 H ILE A 19 2.073 5.351 7.038 1.00 51.43 H new ATOM 0 HA ILE A 19 1.190 5.502 9.849 1.00 52.23 H new ATOM 0 HB ILE A 19 -1.043 4.667 9.034 1.00 74.40 H new ATOM 0 HG12 ILE A 19 0.101 5.188 6.265 1.00 5.01 H new ATOM 0 HG13 ILE A 19 -0.180 3.600 6.950 1.00 5.01 H new ATOM 0 HG21 ILE A 19 -1.799 6.800 8.040 1.00 55.21 H new ATOM 0 HG22 ILE A 19 -0.706 7.066 9.419 1.00 55.21 H new ATOM 0 HG23 ILE A 19 -0.104 7.263 7.756 1.00 55.21 H new ATOM 0 HD11 ILE A 19 -1.990 4.232 5.433 1.00 21.12 H new ATOM 0 HD12 ILE A 19 -2.598 4.077 7.098 1.00 21.12 H new ATOM 0 HD13 ILE A 19 -2.312 5.689 6.402 1.00 21.12 H new ATOM 290 N ARG A 20 1.958 2.908 7.999 1.00 44.24 N ATOM 291 CA ARG A 20 2.203 1.457 8.021 1.00 64.35 C ATOM 292 C ARG A 20 3.406 1.072 7.140 1.00 73.44 C ATOM 293 O ARG A 20 3.601 1.627 6.062 1.00 13.35 O ATOM 294 CB ARG A 20 0.935 0.714 7.558 1.00 43.51 C ATOM 295 CG ARG A 20 0.973 -0.800 7.766 1.00 5.54 C ATOM 296 CD ARG A 20 1.249 -1.164 9.224 1.00 11.22 C ATOM 297 NE ARG A 20 0.340 -0.484 10.146 1.00 35.25 N ATOM 298 CZ ARG A 20 0.690 -0.019 11.315 1.00 55.03 C ATOM 299 NH1 ARG A 20 1.900 -0.161 11.755 1.00 42.34 N ATOM 300 NH2 ARG A 20 -0.179 0.591 12.044 1.00 52.51 N ATOM 0 H ARG A 20 2.269 3.378 7.149 1.00 44.24 H new ATOM 0 HA ARG A 20 2.443 1.165 9.043 1.00 64.35 H new ATOM 0 HB2 ARG A 20 0.076 1.120 8.093 1.00 43.51 H new ATOM 0 HB3 ARG A 20 0.776 0.918 6.499 1.00 43.51 H new ATOM 0 HG2 ARG A 20 0.022 -1.234 7.457 1.00 5.54 H new ATOM 0 HG3 ARG A 20 1.744 -1.235 7.130 1.00 5.54 H new ATOM 0 HD2 ARG A 20 1.153 -2.242 9.352 1.00 11.22 H new ATOM 0 HD3 ARG A 20 2.278 -0.904 9.473 1.00 11.22 H new ATOM 0 HE ARG A 20 -0.631 -0.365 9.857 1.00 35.25 H new ATOM 0 HH11 ARG A 20 2.596 -0.642 11.186 1.00 42.34 H new ATOM 0 HH12 ARG A 20 2.156 0.208 12.671 1.00 42.34 H new ATOM 0 HH21 ARG A 20 -1.135 0.709 11.707 1.00 52.51 H new ATOM 0 HH22 ARG A 20 0.088 0.956 12.958 1.00 52.51 H new ATOM 314 N GLU A 21 4.210 0.117 7.613 1.00 44.03 N ATOM 315 CA GLU A 21 5.412 -0.330 6.890 1.00 42.42 C ATOM 316 C GLU A 21 5.467 -1.865 6.796 1.00 22.24 C ATOM 317 O GLU A 21 5.400 -2.562 7.811 1.00 31.10 O ATOM 318 CB GLU A 21 6.669 0.186 7.608 1.00 3.11 C ATOM 319 CG GLU A 21 6.692 1.699 7.809 1.00 22.43 C ATOM 320 CD GLU A 21 7.855 2.158 8.673 1.00 15.41 C ATOM 321 OE1 GLU A 21 7.802 1.951 9.904 1.00 33.41 O ATOM 322 OE2 GLU A 21 8.820 2.735 8.136 1.00 22.02 O ATOM 0 H GLU A 21 4.053 -0.366 8.497 1.00 44.03 H new ATOM 0 HA GLU A 21 5.370 0.074 5.878 1.00 42.42 H new ATOM 0 HB2 GLU A 21 6.745 -0.301 8.580 1.00 3.11 H new ATOM 0 HB3 GLU A 21 7.549 -0.108 7.035 1.00 3.11 H new ATOM 0 HG2 GLU A 21 6.751 2.190 6.837 1.00 22.43 H new ATOM 0 HG3 GLU A 21 5.756 2.015 8.270 1.00 22.43 H new ATOM 329 N ILE A 22 5.583 -2.392 5.571 1.00 11.31 N ATOM 330 CA ILE A 22 5.680 -3.847 5.353 1.00 54.31 C ATOM 331 C ILE A 22 6.942 -4.214 4.544 1.00 24.33 C ATOM 332 O ILE A 22 7.154 -3.699 3.443 1.00 52.24 O ATOM 333 CB ILE A 22 4.439 -4.430 4.605 1.00 73.41 C ATOM 334 CG1 ILE A 22 3.135 -4.228 5.406 1.00 43.13 C ATOM 335 CG2 ILE A 22 4.646 -5.918 4.304 1.00 15.03 C ATOM 336 CD1 ILE A 22 2.557 -2.833 5.313 1.00 3.14 C ATOM 0 H ILE A 22 5.612 -1.837 4.716 1.00 11.31 H new ATOM 0 HA ILE A 22 5.730 -4.285 6.350 1.00 54.31 H new ATOM 0 HB ILE A 22 4.340 -3.883 3.667 1.00 73.41 H new ATOM 0 HG12 ILE A 22 2.391 -4.941 5.052 1.00 43.13 H new ATOM 0 HG13 ILE A 22 3.326 -4.460 6.454 1.00 43.13 H new ATOM 0 HG21 ILE A 22 3.772 -6.309 3.783 1.00 15.03 H new ATOM 0 HG22 ILE A 22 5.529 -6.043 3.677 1.00 15.03 H new ATOM 0 HG23 ILE A 22 4.785 -6.462 5.238 1.00 15.03 H new ATOM 0 HD11 ILE A 22 1.643 -2.778 5.904 1.00 3.14 H new ATOM 0 HD12 ILE A 22 3.281 -2.113 5.696 1.00 3.14 H new ATOM 0 HD13 ILE A 22 2.331 -2.602 4.272 1.00 3.14 H new ATOM 348 N PRO A 23 7.802 -5.106 5.078 1.00 71.14 N ATOM 349 CA PRO A 23 8.948 -5.642 4.323 1.00 20.11 C ATOM 350 C PRO A 23 8.502 -6.645 3.240 1.00 32.04 C ATOM 351 O PRO A 23 7.893 -7.672 3.545 1.00 23.51 O ATOM 352 CB PRO A 23 9.790 -6.336 5.406 1.00 1.53 C ATOM 353 CG PRO A 23 8.803 -6.722 6.459 1.00 23.21 C ATOM 354 CD PRO A 23 7.743 -5.647 6.452 1.00 62.34 C ATOM 0 HA PRO A 23 9.493 -4.868 3.783 1.00 20.11 H new ATOM 0 HB2 PRO A 23 10.307 -7.209 5.008 1.00 1.53 H new ATOM 0 HB3 PRO A 23 10.553 -5.668 5.804 1.00 1.53 H new ATOM 0 HG2 PRO A 23 8.369 -7.699 6.247 1.00 23.21 H new ATOM 0 HG3 PRO A 23 9.282 -6.791 7.436 1.00 23.21 H new ATOM 0 HD2 PRO A 23 6.758 -6.054 6.680 1.00 62.34 H new ATOM 0 HD3 PRO A 23 7.949 -4.877 7.195 1.00 62.34 H new ATOM 362 N LEU A 24 8.801 -6.341 1.975 1.00 5.22 N ATOM 363 CA LEU A 24 8.366 -7.183 0.854 1.00 32.13 C ATOM 364 C LEU A 24 9.290 -8.395 0.670 1.00 42.42 C ATOM 365 O LEU A 24 8.869 -9.544 0.817 1.00 41.31 O ATOM 366 CB LEU A 24 8.322 -6.357 -0.442 1.00 24.55 C ATOM 367 CG LEU A 24 7.401 -5.127 -0.403 1.00 35.14 C ATOM 368 CD1 LEU A 24 7.435 -4.383 -1.736 1.00 62.13 C ATOM 369 CD2 LEU A 24 5.973 -5.532 -0.045 1.00 61.41 C ATOM 0 H LEU A 24 9.341 -5.521 1.700 1.00 5.22 H new ATOM 0 HA LEU A 24 7.366 -7.552 1.083 1.00 32.13 H new ATOM 0 HB2 LEU A 24 9.334 -6.026 -0.678 1.00 24.55 H new ATOM 0 HB3 LEU A 24 8.001 -7.006 -1.257 1.00 24.55 H new ATOM 0 HG LEU A 24 7.767 -4.453 0.371 1.00 35.14 H new ATOM 0 HD11 LEU A 24 6.776 -3.516 -1.686 1.00 62.13 H new ATOM 0 HD12 LEU A 24 8.453 -4.053 -1.943 1.00 62.13 H new ATOM 0 HD13 LEU A 24 7.100 -5.048 -2.532 1.00 62.13 H new ATOM 0 HD21 LEU A 24 5.338 -4.646 -0.023 1.00 61.41 H new ATOM 0 HD22 LEU A 24 5.595 -6.231 -0.791 1.00 61.41 H new ATOM 0 HD23 LEU A 24 5.965 -6.009 0.935 1.00 61.41 H new ATOM 381 N THR A 25 10.553 -8.131 0.356 1.00 41.15 N ATOM 382 CA THR A 25 11.529 -9.200 0.123 1.00 10.20 C ATOM 383 C THR A 25 11.690 -10.093 1.363 1.00 24.52 C ATOM 384 O THR A 25 12.041 -9.613 2.441 1.00 31.32 O ATOM 385 CB THR A 25 12.917 -8.631 -0.256 1.00 52.41 C ATOM 386 OG1 THR A 25 12.794 -7.662 -1.312 1.00 33.15 O ATOM 387 CG2 THR A 25 13.860 -9.742 -0.698 1.00 60.13 C ATOM 0 H THR A 25 10.929 -7.188 0.256 1.00 41.15 H new ATOM 0 HA THR A 25 11.142 -9.793 -0.706 1.00 10.20 H new ATOM 0 HB THR A 25 13.330 -8.149 0.630 1.00 52.41 H new ATOM 0 HG1 THR A 25 13.611 -7.663 -1.854 1.00 33.15 H new ATOM 0 HG21 THR A 25 14.828 -9.315 -0.959 1.00 60.13 H new ATOM 0 HG22 THR A 25 13.986 -10.457 0.115 1.00 60.13 H new ATOM 0 HG23 THR A 25 13.442 -10.250 -1.567 1.00 60.13 H new ATOM 395 N GLY A 26 11.435 -11.390 1.205 1.00 11.33 N ATOM 396 CA GLY A 26 11.536 -12.323 2.323 1.00 70.12 C ATOM 397 C GLY A 26 10.242 -12.467 3.125 1.00 43.21 C ATOM 398 O GLY A 26 10.206 -13.175 4.137 1.00 21.44 O ATOM 0 H GLY A 26 11.159 -11.816 0.320 1.00 11.33 H new ATOM 0 HA2 GLY A 26 11.827 -13.302 1.942 1.00 70.12 H new ATOM 0 HA3 GLY A 26 12.331 -11.991 2.990 1.00 70.12 H new ATOM 402 N HIS A 27 9.178 -11.793 2.689 1.00 21.23 N ATOM 403 CA HIS A 27 7.873 -11.896 3.356 1.00 32.22 C ATOM 404 C HIS A 27 7.159 -13.207 2.984 1.00 61.33 C ATOM 405 O HIS A 27 7.020 -13.545 1.807 1.00 73.13 O ATOM 406 CB HIS A 27 6.992 -10.691 3.006 1.00 20.24 C ATOM 407 CG HIS A 27 5.592 -10.793 3.530 1.00 53.14 C ATOM 408 ND1 HIS A 27 4.523 -11.183 2.753 1.00 71.41 N ATOM 409 CD2 HIS A 27 5.088 -10.570 4.767 1.00 12.21 C ATOM 410 CE1 HIS A 27 3.427 -11.199 3.486 1.00 45.04 C ATOM 411 NE2 HIS A 27 3.741 -10.830 4.712 1.00 14.13 N ATOM 0 H HIS A 27 9.190 -11.171 1.880 1.00 21.23 H new ATOM 0 HA HIS A 27 8.048 -11.901 4.432 1.00 32.22 H new ATOM 0 HB2 HIS A 27 7.454 -9.787 3.404 1.00 20.24 H new ATOM 0 HB3 HIS A 27 6.957 -10.581 1.922 1.00 20.24 H new ATOM 0 HD1 HIS A 27 4.572 -11.423 1.763 1.00 71.41 H new ATOM 0 HD2 HIS A 27 5.643 -10.247 5.636 1.00 12.21 H new ATOM 0 HE1 HIS A 27 2.440 -11.469 3.141 1.00 45.04 H new ATOM 420 N LYS A 28 6.703 -13.943 3.994 1.00 43.43 N ATOM 421 CA LYS A 28 6.043 -15.236 3.779 1.00 63.22 C ATOM 422 C LYS A 28 4.510 -15.098 3.711 1.00 23.22 C ATOM 423 O LYS A 28 3.902 -14.366 4.498 1.00 71.34 O ATOM 424 CB LYS A 28 6.432 -16.215 4.897 1.00 71.24 C ATOM 425 CG LYS A 28 5.967 -15.784 6.286 1.00 0.14 C ATOM 426 CD LYS A 28 6.451 -16.745 7.366 1.00 15.51 C ATOM 427 CE LYS A 28 5.879 -16.397 8.735 1.00 21.40 C ATOM 428 NZ LYS A 28 6.200 -15.003 9.148 1.00 34.11 N ATOM 0 H LYS A 28 6.777 -13.669 4.974 1.00 43.43 H new ATOM 0 HA LYS A 28 6.381 -15.622 2.817 1.00 63.22 H new ATOM 0 HB2 LYS A 28 6.011 -17.195 4.671 1.00 71.24 H new ATOM 0 HB3 LYS A 28 7.516 -16.328 4.906 1.00 71.24 H new ATOM 0 HG2 LYS A 28 6.337 -14.781 6.499 1.00 0.14 H new ATOM 0 HG3 LYS A 28 4.878 -15.733 6.306 1.00 0.14 H new ATOM 0 HD2 LYS A 28 6.165 -17.763 7.101 1.00 15.51 H new ATOM 0 HD3 LYS A 28 7.540 -16.722 7.411 1.00 15.51 H new ATOM 0 HE2 LYS A 28 4.797 -16.527 8.717 1.00 21.40 H new ATOM 0 HE3 LYS A 28 6.272 -17.092 9.477 1.00 21.40 H new ATOM 0 HZ1 LYS A 28 5.909 -14.858 10.136 1.00 34.11 H new ATOM 0 HZ2 LYS A 28 7.224 -14.842 9.062 1.00 34.11 H new ATOM 0 HZ3 LYS A 28 5.692 -14.334 8.535 1.00 34.11 H new ATOM 442 N GLY A 29 3.894 -15.806 2.762 1.00 74.21 N ATOM 443 CA GLY A 29 2.437 -15.842 2.667 1.00 51.04 C ATOM 444 C GLY A 29 1.802 -14.583 2.078 1.00 33.20 C ATOM 445 O GLY A 29 2.482 -13.722 1.507 1.00 72.35 O ATOM 0 H GLY A 29 4.379 -16.358 2.054 1.00 74.21 H new ATOM 0 HA2 GLY A 29 2.148 -16.697 2.057 1.00 51.04 H new ATOM 0 HA3 GLY A 29 2.026 -16.007 3.663 1.00 51.04 H new ATOM 449 N ASN A 30 0.482 -14.487 2.230 1.00 14.40 N ATOM 450 CA ASN A 30 -0.300 -13.365 1.702 1.00 41.31 C ATOM 451 C ASN A 30 -0.995 -12.605 2.848 1.00 43.42 C ATOM 452 O ASN A 30 -1.759 -13.190 3.616 1.00 3.44 O ATOM 453 CB ASN A 30 -1.345 -13.901 0.715 1.00 3.31 C ATOM 454 CG ASN A 30 -2.117 -12.800 0.011 1.00 4.32 C ATOM 455 OD1 ASN A 30 -3.115 -12.302 0.518 1.00 33.15 O ATOM 456 ND2 ASN A 30 -1.680 -12.435 -1.176 1.00 35.12 N ATOM 0 H ASN A 30 -0.077 -15.184 2.722 1.00 14.40 H new ATOM 0 HA ASN A 30 0.367 -12.673 1.189 1.00 41.31 H new ATOM 0 HB2 ASN A 30 -0.848 -14.522 -0.030 1.00 3.31 H new ATOM 0 HB3 ASN A 30 -2.045 -14.543 1.249 1.00 3.31 H new ATOM 0 HD21 ASN A 30 -2.176 -11.717 -1.703 1.00 35.12 H new ATOM 0 HD22 ASN A 30 -0.845 -12.871 -1.568 1.00 35.12 H new ATOM 463 N GLU A 31 -0.726 -11.305 2.966 1.00 4.30 N ATOM 464 CA GLU A 31 -1.298 -10.482 4.047 1.00 63.13 C ATOM 465 C GLU A 31 -2.204 -9.373 3.486 1.00 54.35 C ATOM 466 O GLU A 31 -1.878 -8.750 2.479 1.00 65.32 O ATOM 467 CB GLU A 31 -0.168 -9.862 4.893 1.00 34.23 C ATOM 468 CG GLU A 31 -0.657 -8.944 6.017 1.00 62.33 C ATOM 469 CD GLU A 31 -1.445 -9.677 7.097 1.00 54.24 C ATOM 470 OE1 GLU A 31 -2.621 -10.026 6.854 1.00 12.14 O ATOM 471 OE2 GLU A 31 -0.892 -9.911 8.193 1.00 75.10 O ATOM 0 H GLU A 31 -0.116 -10.793 2.329 1.00 4.30 H new ATOM 0 HA GLU A 31 -1.908 -11.130 4.677 1.00 63.13 H new ATOM 0 HB2 GLU A 31 0.427 -10.665 5.328 1.00 34.23 H new ATOM 0 HB3 GLU A 31 0.492 -9.295 4.237 1.00 34.23 H new ATOM 0 HG2 GLU A 31 0.202 -8.453 6.474 1.00 62.33 H new ATOM 0 HG3 GLU A 31 -1.283 -8.160 5.590 1.00 62.33 H new ATOM 478 N GLN A 32 -3.336 -9.124 4.148 1.00 51.02 N ATOM 479 CA GLN A 32 -4.292 -8.100 3.699 1.00 63.01 C ATOM 480 C GLN A 32 -4.703 -7.172 4.857 1.00 73.42 C ATOM 481 O GLN A 32 -5.108 -7.636 5.925 1.00 72.44 O ATOM 482 CB GLN A 32 -5.542 -8.764 3.097 1.00 13.02 C ATOM 483 CG GLN A 32 -5.253 -9.686 1.915 1.00 22.22 C ATOM 484 CD GLN A 32 -6.505 -10.341 1.353 1.00 70.21 C ATOM 485 OE1 GLN A 32 -7.478 -10.571 2.067 1.00 55.14 O ATOM 486 NE2 GLN A 32 -6.494 -10.657 0.075 1.00 14.50 N ATOM 0 H GLN A 32 -3.616 -9.615 4.997 1.00 51.02 H new ATOM 0 HA GLN A 32 -3.799 -7.498 2.936 1.00 63.01 H new ATOM 0 HB2 GLN A 32 -6.046 -9.337 3.875 1.00 13.02 H new ATOM 0 HB3 GLN A 32 -6.234 -7.986 2.776 1.00 13.02 H new ATOM 0 HG2 GLN A 32 -4.763 -9.114 1.127 1.00 22.22 H new ATOM 0 HG3 GLN A 32 -4.553 -10.461 2.228 1.00 22.22 H new ATOM 0 HE21 GLN A 32 -5.672 -10.454 -0.494 1.00 14.50 H new ATOM 0 HE22 GLN A 32 -7.308 -11.105 -0.347 1.00 14.50 H new ATOM 495 N PHE A 33 -4.616 -5.858 4.640 1.00 62.45 N ATOM 496 CA PHE A 33 -5.007 -4.880 5.669 1.00 41.54 C ATOM 497 C PHE A 33 -5.777 -3.692 5.062 1.00 74.42 C ATOM 498 O PHE A 33 -5.462 -3.228 3.964 1.00 2.05 O ATOM 499 CB PHE A 33 -3.776 -4.381 6.454 1.00 54.11 C ATOM 500 CG PHE A 33 -2.713 -3.696 5.617 1.00 44.23 C ATOM 501 CD1 PHE A 33 -1.728 -4.437 4.971 1.00 33.24 C ATOM 502 CD2 PHE A 33 -2.690 -2.311 5.487 1.00 71.53 C ATOM 503 CE1 PHE A 33 -0.750 -3.813 4.219 1.00 14.43 C ATOM 504 CE2 PHE A 33 -1.713 -1.685 4.733 1.00 73.52 C ATOM 505 CZ PHE A 33 -0.744 -2.437 4.102 1.00 42.55 C ATOM 0 H PHE A 33 -4.282 -5.444 3.770 1.00 62.45 H new ATOM 0 HA PHE A 33 -5.676 -5.391 6.362 1.00 41.54 H new ATOM 0 HB2 PHE A 33 -4.113 -3.687 7.224 1.00 54.11 H new ATOM 0 HB3 PHE A 33 -3.322 -5.230 6.966 1.00 54.11 H new ATOM 0 HD1 PHE A 33 -1.728 -5.513 5.058 1.00 33.24 H new ATOM 0 HD2 PHE A 33 -3.444 -1.717 5.981 1.00 71.53 H new ATOM 0 HE1 PHE A 33 0.008 -4.401 3.724 1.00 14.43 H new ATOM 0 HE2 PHE A 33 -1.709 -0.609 4.639 1.00 73.52 H new ATOM 0 HZ PHE A 33 0.020 -1.949 3.516 1.00 42.55 H new ATOM 515 N THR A 34 -6.789 -3.211 5.783 1.00 24.21 N ATOM 516 CA THR A 34 -7.622 -2.093 5.311 1.00 13.43 C ATOM 517 C THR A 34 -7.166 -0.753 5.905 1.00 23.30 C ATOM 518 O THR A 34 -7.174 -0.561 7.124 1.00 31.34 O ATOM 519 CB THR A 34 -9.115 -2.306 5.662 1.00 15.41 C ATOM 520 OG1 THR A 34 -9.585 -3.539 5.099 1.00 32.13 O ATOM 521 CG2 THR A 34 -9.975 -1.156 5.144 1.00 40.04 C ATOM 0 H THR A 34 -7.056 -3.575 6.698 1.00 24.21 H new ATOM 0 HA THR A 34 -7.505 -2.065 4.228 1.00 13.43 H new ATOM 0 HB THR A 34 -9.198 -2.342 6.748 1.00 15.41 H new ATOM 0 HG1 THR A 34 -10.529 -3.664 5.329 1.00 32.13 H new ATOM 0 HG21 THR A 34 -11.018 -1.335 5.406 1.00 40.04 H new ATOM 0 HG22 THR A 34 -9.643 -0.221 5.595 1.00 40.04 H new ATOM 0 HG23 THR A 34 -9.880 -1.090 4.060 1.00 40.04 H new ATOM 529 N ILE A 35 -6.770 0.168 5.032 1.00 21.32 N ATOM 530 CA ILE A 35 -6.399 1.525 5.437 1.00 61.53 C ATOM 531 C ILE A 35 -7.649 2.402 5.618 1.00 34.22 C ATOM 532 O ILE A 35 -8.388 2.645 4.663 1.00 34.32 O ATOM 533 CB ILE A 35 -5.469 2.186 4.386 1.00 43.21 C ATOM 534 CG1 ILE A 35 -4.204 1.334 4.178 1.00 72.34 C ATOM 535 CG2 ILE A 35 -5.103 3.617 4.800 1.00 24.02 C ATOM 536 CD1 ILE A 35 -3.267 1.878 3.119 1.00 14.31 C ATOM 0 H ILE A 35 -6.696 -0.001 4.029 1.00 21.32 H new ATOM 0 HA ILE A 35 -5.869 1.446 6.386 1.00 61.53 H new ATOM 0 HB ILE A 35 -6.006 2.240 3.439 1.00 43.21 H new ATOM 0 HG12 ILE A 35 -3.666 1.262 5.123 1.00 72.34 H new ATOM 0 HG13 ILE A 35 -4.500 0.322 3.902 1.00 72.34 H new ATOM 0 HG21 ILE A 35 -4.450 4.058 4.047 1.00 24.02 H new ATOM 0 HG22 ILE A 35 -6.011 4.214 4.888 1.00 24.02 H new ATOM 0 HG23 ILE A 35 -4.587 3.597 5.760 1.00 24.02 H new ATOM 0 HD11 ILE A 35 -2.400 1.224 3.030 1.00 14.31 H new ATOM 0 HD12 ILE A 35 -3.787 1.924 2.162 1.00 14.31 H new ATOM 0 HD13 ILE A 35 -2.940 2.878 3.402 1.00 14.31 H new ATOM 548 N LYS A 36 -7.877 2.870 6.841 1.00 2.34 N ATOM 549 CA LYS A 36 -9.037 3.715 7.147 1.00 11.13 C ATOM 550 C LYS A 36 -8.797 5.178 6.739 1.00 74.31 C ATOM 551 O LYS A 36 -7.833 5.805 7.178 1.00 5.33 O ATOM 552 CB LYS A 36 -9.364 3.644 8.645 1.00 32.14 C ATOM 553 CG LYS A 36 -9.777 2.258 9.125 1.00 50.24 C ATOM 554 CD LYS A 36 -9.981 2.226 10.636 1.00 73.34 C ATOM 555 CE LYS A 36 -10.451 0.863 11.120 1.00 3.30 C ATOM 556 NZ LYS A 36 -10.520 0.802 12.602 1.00 50.24 N ATOM 0 H LYS A 36 -7.274 2.680 7.642 1.00 2.34 H new ATOM 0 HA LYS A 36 -9.880 3.336 6.570 1.00 11.13 H new ATOM 0 HB2 LYS A 36 -8.492 3.969 9.212 1.00 32.14 H new ATOM 0 HB3 LYS A 36 -10.167 4.347 8.865 1.00 32.14 H new ATOM 0 HG2 LYS A 36 -10.699 1.959 8.626 1.00 50.24 H new ATOM 0 HG3 LYS A 36 -9.013 1.533 8.845 1.00 50.24 H new ATOM 0 HD2 LYS A 36 -9.046 2.484 11.133 1.00 73.34 H new ATOM 0 HD3 LYS A 36 -10.712 2.983 10.919 1.00 73.34 H new ATOM 0 HE2 LYS A 36 -11.433 0.646 10.700 1.00 3.30 H new ATOM 0 HE3 LYS A 36 -9.772 0.093 10.755 1.00 3.30 H new ATOM 0 HZ1 LYS A 36 -10.844 -0.142 12.896 1.00 50.24 H new ATOM 0 HZ2 LYS A 36 -9.577 0.984 13.001 1.00 50.24 H new ATOM 0 HZ3 LYS A 36 -11.187 1.521 12.948 1.00 50.24 H new ATOM 570 N GLY A 37 -9.677 5.710 5.892 1.00 71.13 N ATOM 571 CA GLY A 37 -9.609 7.118 5.510 1.00 61.41 C ATOM 572 C GLY A 37 -10.770 7.932 6.076 1.00 12.31 C ATOM 573 O GLY A 37 -11.455 7.490 7.000 1.00 63.12 O ATOM 0 H GLY A 37 -10.441 5.190 5.460 1.00 71.13 H new ATOM 0 HA2 GLY A 37 -8.668 7.541 5.860 1.00 61.41 H new ATOM 0 HA3 GLY A 37 -9.610 7.197 4.423 1.00 61.41 H new ATOM 577 N LYS A 38 -10.998 9.120 5.525 1.00 42.03 N ATOM 578 CA LYS A 38 -12.083 9.990 5.997 1.00 0.30 C ATOM 579 C LYS A 38 -13.469 9.428 5.638 1.00 21.03 C ATOM 580 O LYS A 38 -13.768 9.180 4.469 1.00 23.33 O ATOM 581 CB LYS A 38 -11.927 11.402 5.416 1.00 50.22 C ATOM 582 CG LYS A 38 -10.650 12.117 5.856 1.00 3.32 C ATOM 583 CD LYS A 38 -10.543 12.234 7.377 1.00 51.31 C ATOM 584 CE LYS A 38 -11.728 12.981 7.980 1.00 21.13 C ATOM 585 NZ LYS A 38 -11.617 13.097 9.456 1.00 51.21 N ATOM 0 H LYS A 38 -10.452 9.506 4.755 1.00 42.03 H new ATOM 0 HA LYS A 38 -12.012 10.034 7.084 1.00 0.30 H new ATOM 0 HB2 LYS A 38 -11.940 11.340 4.328 1.00 50.22 H new ATOM 0 HB3 LYS A 38 -12.788 12.002 5.711 1.00 50.22 H new ATOM 0 HG2 LYS A 38 -9.784 11.577 5.474 1.00 3.32 H new ATOM 0 HG3 LYS A 38 -10.624 13.113 5.415 1.00 3.32 H new ATOM 0 HD2 LYS A 38 -10.483 11.237 7.813 1.00 51.31 H new ATOM 0 HD3 LYS A 38 -9.619 12.751 7.636 1.00 51.31 H new ATOM 0 HE2 LYS A 38 -11.790 13.977 7.541 1.00 21.13 H new ATOM 0 HE3 LYS A 38 -12.652 12.462 7.725 1.00 21.13 H new ATOM 0 HZ1 LYS A 38 -12.442 13.611 9.827 1.00 51.21 H new ATOM 0 HZ2 LYS A 38 -11.583 12.147 9.877 1.00 51.21 H new ATOM 0 HZ3 LYS A 38 -10.748 13.615 9.699 1.00 51.21 H new ATOM 599 N GLY A 39 -14.306 9.228 6.655 1.00 64.45 N ATOM 600 CA GLY A 39 -15.668 8.749 6.435 1.00 5.24 C ATOM 601 C GLY A 39 -15.736 7.395 5.725 1.00 51.54 C ATOM 602 O GLY A 39 -15.492 6.351 6.331 1.00 21.42 O ATOM 0 H GLY A 39 -14.066 9.389 7.633 1.00 64.45 H new ATOM 0 HA2 GLY A 39 -16.176 8.671 7.396 1.00 5.24 H new ATOM 0 HA3 GLY A 39 -16.212 9.486 5.845 1.00 5.24 H new ATOM 606 N ALA A 40 -16.069 7.416 4.436 1.00 63.33 N ATOM 607 CA ALA A 40 -16.242 6.182 3.655 1.00 14.45 C ATOM 608 C ALA A 40 -14.971 5.786 2.876 1.00 55.43 C ATOM 609 O ALA A 40 -14.933 4.733 2.241 1.00 32.12 O ATOM 610 CB ALA A 40 -17.418 6.343 2.696 1.00 32.10 C ATOM 0 H ALA A 40 -16.226 8.273 3.905 1.00 63.33 H new ATOM 0 HA ALA A 40 -16.442 5.376 4.361 1.00 14.45 H new ATOM 0 HB1 ALA A 40 -17.544 5.427 2.118 1.00 32.10 H new ATOM 0 HB2 ALA A 40 -18.327 6.542 3.265 1.00 32.10 H new ATOM 0 HB3 ALA A 40 -17.224 7.175 2.019 1.00 32.10 H new ATOM 616 N GLN A 41 -13.934 6.617 2.936 1.00 12.25 N ATOM 617 CA GLN A 41 -12.694 6.375 2.176 1.00 34.12 C ATOM 618 C GLN A 41 -11.834 5.273 2.821 1.00 11.11 C ATOM 619 O GLN A 41 -11.628 5.268 4.033 1.00 65.30 O ATOM 620 CB GLN A 41 -11.885 7.679 2.076 1.00 45.13 C ATOM 621 CG GLN A 41 -12.689 8.858 1.536 1.00 42.21 C ATOM 622 CD GLN A 41 -13.159 8.658 0.106 1.00 34.15 C ATOM 623 OE1 GLN A 41 -14.211 8.079 -0.143 1.00 32.34 O ATOM 624 NE2 GLN A 41 -12.398 9.156 -0.845 1.00 33.31 N ATOM 0 H GLN A 41 -13.920 7.466 3.501 1.00 12.25 H new ATOM 0 HA GLN A 41 -12.973 6.035 1.179 1.00 34.12 H new ATOM 0 HB2 GLN A 41 -11.500 7.934 3.063 1.00 45.13 H new ATOM 0 HB3 GLN A 41 -11.022 7.513 1.431 1.00 45.13 H new ATOM 0 HG2 GLN A 41 -13.555 9.022 2.177 1.00 42.21 H new ATOM 0 HG3 GLN A 41 -12.079 9.760 1.588 1.00 42.21 H new ATOM 0 HE21 GLN A 41 -11.528 9.632 -0.605 1.00 33.31 H new ATOM 0 HE22 GLN A 41 -12.678 9.066 -1.822 1.00 33.31 H new ATOM 633 N TYR A 42 -11.342 4.333 2.007 1.00 25.43 N ATOM 634 CA TYR A 42 -10.451 3.269 2.499 1.00 24.21 C ATOM 635 C TYR A 42 -9.607 2.660 1.363 1.00 62.44 C ATOM 636 O TYR A 42 -9.909 2.842 0.184 1.00 14.41 O ATOM 637 CB TYR A 42 -11.264 2.161 3.188 1.00 11.22 C ATOM 638 CG TYR A 42 -12.212 1.422 2.257 1.00 52.01 C ATOM 639 CD1 TYR A 42 -13.476 1.927 1.980 1.00 12.42 C ATOM 640 CD2 TYR A 42 -11.846 0.216 1.659 1.00 4.53 C ATOM 641 CE1 TYR A 42 -14.343 1.262 1.137 1.00 5.23 C ATOM 642 CE2 TYR A 42 -12.710 -0.454 0.814 1.00 34.24 C ATOM 643 CZ TYR A 42 -13.957 0.075 0.558 1.00 13.24 C ATOM 644 OH TYR A 42 -14.831 -0.584 -0.279 1.00 34.34 O ATOM 0 H TYR A 42 -11.543 4.284 1.008 1.00 25.43 H new ATOM 0 HA TYR A 42 -9.773 3.724 3.220 1.00 24.21 H new ATOM 0 HB2 TYR A 42 -10.576 1.443 3.634 1.00 11.22 H new ATOM 0 HB3 TYR A 42 -11.840 2.600 4.003 1.00 11.22 H new ATOM 0 HD1 TYR A 42 -13.786 2.857 2.433 1.00 12.42 H new ATOM 0 HD2 TYR A 42 -10.870 -0.201 1.860 1.00 4.53 H new ATOM 0 HE1 TYR A 42 -15.321 1.672 0.932 1.00 5.23 H new ATOM 0 HE2 TYR A 42 -12.410 -1.386 0.357 1.00 34.24 H new ATOM 0 HH TYR A 42 -14.411 -1.406 -0.609 1.00 34.34 H new ATOM 654 N ASN A 43 -8.548 1.940 1.734 1.00 11.31 N ATOM 655 CA ASN A 43 -7.697 1.223 0.768 1.00 41.24 C ATOM 656 C ASN A 43 -7.343 -0.185 1.277 1.00 51.13 C ATOM 657 O ASN A 43 -6.656 -0.333 2.289 1.00 31.23 O ATOM 658 CB ASN A 43 -6.401 2.007 0.495 1.00 73.24 C ATOM 659 CG ASN A 43 -6.626 3.251 -0.342 1.00 4.32 C ATOM 660 OD1 ASN A 43 -6.881 4.335 0.175 1.00 32.44 O ATOM 661 ND2 ASN A 43 -6.543 3.105 -1.648 1.00 71.42 N ATOM 0 H ASN A 43 -8.252 1.834 2.704 1.00 11.31 H new ATOM 0 HA ASN A 43 -8.264 1.131 -0.159 1.00 41.24 H new ATOM 0 HB2 ASN A 43 -5.948 2.292 1.445 1.00 73.24 H new ATOM 0 HB3 ASN A 43 -5.690 1.357 -0.015 1.00 73.24 H new ATOM 0 HD21 ASN A 43 -6.692 3.906 -2.261 1.00 71.42 H new ATOM 0 HD22 ASN A 43 -6.329 2.191 -2.046 1.00 71.42 H new ATOM 668 N LEU A 44 -7.810 -1.216 0.577 1.00 24.41 N ATOM 669 CA LEU A 44 -7.486 -2.605 0.932 1.00 72.21 C ATOM 670 C LEU A 44 -6.179 -3.052 0.254 1.00 61.13 C ATOM 671 O LEU A 44 -6.148 -3.347 -0.947 1.00 32.21 O ATOM 672 CB LEU A 44 -8.645 -3.537 0.544 1.00 3.33 C ATOM 673 CG LEU A 44 -8.385 -5.047 0.697 1.00 41.14 C ATOM 674 CD1 LEU A 44 -7.992 -5.401 2.129 1.00 54.24 C ATOM 675 CD2 LEU A 44 -9.616 -5.838 0.268 1.00 1.23 C ATOM 0 H LEU A 44 -8.414 -1.121 -0.240 1.00 24.41 H new ATOM 0 HA LEU A 44 -7.342 -2.661 2.011 1.00 72.21 H new ATOM 0 HB2 LEU A 44 -9.512 -3.276 1.150 1.00 3.33 H new ATOM 0 HB3 LEU A 44 -8.911 -3.339 -0.494 1.00 3.33 H new ATOM 0 HG LEU A 44 -7.550 -5.314 0.049 1.00 41.14 H new ATOM 0 HD11 LEU A 44 -7.815 -6.474 2.203 1.00 54.24 H new ATOM 0 HD12 LEU A 44 -7.083 -4.864 2.400 1.00 54.24 H new ATOM 0 HD13 LEU A 44 -8.797 -5.118 2.808 1.00 54.24 H new ATOM 0 HD21 LEU A 44 -9.421 -6.904 0.380 1.00 1.23 H new ATOM 0 HD22 LEU A 44 -10.465 -5.557 0.892 1.00 1.23 H new ATOM 0 HD23 LEU A 44 -9.844 -5.619 -0.775 1.00 1.23 H new ATOM 687 N MET A 45 -5.103 -3.093 1.036 1.00 44.44 N ATOM 688 CA MET A 45 -3.777 -3.453 0.524 1.00 60.52 C ATOM 689 C MET A 45 -3.503 -4.955 0.681 1.00 42.51 C ATOM 690 O MET A 45 -3.921 -5.576 1.663 1.00 42.03 O ATOM 691 CB MET A 45 -2.695 -2.662 1.269 1.00 12.12 C ATOM 692 CG MET A 45 -2.856 -1.150 1.178 1.00 22.03 C ATOM 693 SD MET A 45 -2.623 -0.518 -0.494 1.00 32.23 S ATOM 694 CE MET A 45 -0.916 -0.961 -0.803 1.00 5.53 C ATOM 0 H MET A 45 -5.121 -2.880 2.033 1.00 44.44 H new ATOM 0 HA MET A 45 -3.754 -3.207 -0.538 1.00 60.52 H new ATOM 0 HB2 MET A 45 -2.704 -2.955 2.319 1.00 12.12 H new ATOM 0 HB3 MET A 45 -1.719 -2.937 0.870 1.00 12.12 H new ATOM 0 HG2 MET A 45 -3.850 -0.874 1.530 1.00 22.03 H new ATOM 0 HG3 MET A 45 -2.138 -0.673 1.845 1.00 22.03 H new ATOM 0 HE1 MET A 45 -0.522 -0.349 -1.614 1.00 5.53 H new ATOM 0 HE2 MET A 45 -0.327 -0.791 0.098 1.00 5.53 H new ATOM 0 HE3 MET A 45 -0.858 -2.013 -1.081 1.00 5.53 H new ATOM 704 N GLU A 46 -2.792 -5.530 -0.285 1.00 64.34 N ATOM 705 CA GLU A 46 -2.429 -6.947 -0.241 1.00 23.54 C ATOM 706 C GLU A 46 -0.930 -7.153 -0.502 1.00 53.33 C ATOM 707 O GLU A 46 -0.388 -6.674 -1.503 1.00 51.31 O ATOM 708 CB GLU A 46 -3.239 -7.741 -1.272 1.00 52.35 C ATOM 709 CG GLU A 46 -2.947 -9.239 -1.250 1.00 53.42 C ATOM 710 CD GLU A 46 -3.642 -9.993 -2.367 1.00 45.42 C ATOM 711 OE1 GLU A 46 -4.797 -10.417 -2.179 1.00 71.53 O ATOM 712 OE2 GLU A 46 -3.031 -10.163 -3.440 1.00 23.23 O ATOM 0 H GLU A 46 -2.454 -5.036 -1.111 1.00 64.34 H new ATOM 0 HA GLU A 46 -2.658 -7.310 0.761 1.00 23.54 H new ATOM 0 HB2 GLU A 46 -4.302 -7.583 -1.088 1.00 52.35 H new ATOM 0 HB3 GLU A 46 -3.027 -7.352 -2.268 1.00 52.35 H new ATOM 0 HG2 GLU A 46 -1.871 -9.395 -1.328 1.00 53.42 H new ATOM 0 HG3 GLU A 46 -3.260 -9.651 -0.291 1.00 53.42 H new ATOM 719 N VAL A 47 -0.269 -7.862 0.407 1.00 70.11 N ATOM 720 CA VAL A 47 1.141 -8.222 0.253 1.00 62.50 C ATOM 721 C VAL A 47 1.282 -9.732 0.001 1.00 40.15 C ATOM 722 O VAL A 47 1.100 -10.546 0.912 1.00 43.33 O ATOM 723 CB VAL A 47 1.964 -7.833 1.510 1.00 64.52 C ATOM 724 CG1 VAL A 47 3.452 -8.125 1.304 1.00 33.31 C ATOM 725 CG2 VAL A 47 1.740 -6.363 1.864 1.00 2.33 C ATOM 0 H VAL A 47 -0.692 -8.204 1.270 1.00 70.11 H new ATOM 0 HA VAL A 47 1.530 -7.669 -0.602 1.00 62.50 H new ATOM 0 HB VAL A 47 1.618 -8.442 2.345 1.00 64.52 H new ATOM 0 HG11 VAL A 47 4.006 -7.843 2.200 1.00 33.31 H new ATOM 0 HG12 VAL A 47 3.591 -9.189 1.111 1.00 33.31 H new ATOM 0 HG13 VAL A 47 3.821 -7.551 0.454 1.00 33.31 H new ATOM 0 HG21 VAL A 47 2.325 -6.108 2.748 1.00 2.33 H new ATOM 0 HG22 VAL A 47 2.052 -5.736 1.029 1.00 2.33 H new ATOM 0 HG23 VAL A 47 0.683 -6.195 2.068 1.00 2.33 H new ATOM 735 N ASP A 48 1.617 -10.100 -1.228 1.00 53.13 N ATOM 736 CA ASP A 48 1.717 -11.503 -1.628 1.00 42.24 C ATOM 737 C ASP A 48 3.188 -11.901 -1.824 1.00 74.31 C ATOM 738 O ASP A 48 3.835 -11.464 -2.773 1.00 40.02 O ATOM 739 CB ASP A 48 0.929 -11.711 -2.928 1.00 53.23 C ATOM 740 CG ASP A 48 0.954 -13.152 -3.407 1.00 64.43 C ATOM 741 OD1 ASP A 48 0.230 -13.986 -2.830 1.00 53.54 O ATOM 742 OD2 ASP A 48 1.683 -13.455 -4.377 1.00 1.33 O ATOM 0 H ASP A 48 1.827 -9.439 -1.976 1.00 53.13 H new ATOM 0 HA ASP A 48 1.298 -12.134 -0.844 1.00 42.24 H new ATOM 0 HB2 ASP A 48 -0.105 -11.402 -2.774 1.00 53.23 H new ATOM 0 HB3 ASP A 48 1.342 -11.067 -3.705 1.00 53.23 H new ATOM 747 N GLY A 49 3.713 -12.725 -0.921 1.00 52.51 N ATOM 748 CA GLY A 49 5.127 -13.085 -0.971 1.00 21.03 C ATOM 749 C GLY A 49 6.041 -11.862 -0.902 1.00 15.13 C ATOM 750 O GLY A 49 6.113 -11.196 0.131 1.00 54.50 O ATOM 0 H GLY A 49 3.189 -13.151 -0.156 1.00 52.51 H new ATOM 0 HA2 GLY A 49 5.358 -13.755 -0.143 1.00 21.03 H new ATOM 0 HA3 GLY A 49 5.327 -13.634 -1.891 1.00 21.03 H new ATOM 754 N GLU A 50 6.714 -11.550 -2.014 1.00 4.31 N ATOM 755 CA GLU A 50 7.638 -10.405 -2.074 1.00 74.31 C ATOM 756 C GLU A 50 7.087 -9.266 -2.961 1.00 22.42 C ATOM 757 O GLU A 50 7.829 -8.381 -3.386 1.00 2.23 O ATOM 758 CB GLU A 50 9.007 -10.868 -2.604 1.00 32.01 C ATOM 759 CG GLU A 50 9.603 -12.042 -1.826 1.00 44.43 C ATOM 760 CD GLU A 50 10.999 -12.424 -2.301 1.00 72.22 C ATOM 761 OE1 GLU A 50 11.156 -12.764 -3.492 1.00 11.53 O ATOM 762 OE2 GLU A 50 11.945 -12.389 -1.482 1.00 21.22 O ATOM 0 H GLU A 50 6.639 -12.072 -2.887 1.00 4.31 H new ATOM 0 HA GLU A 50 7.747 -10.012 -1.063 1.00 74.31 H new ATOM 0 HB2 GLU A 50 8.904 -11.153 -3.651 1.00 32.01 H new ATOM 0 HB3 GLU A 50 9.703 -10.030 -2.569 1.00 32.01 H new ATOM 0 HG2 GLU A 50 9.643 -11.786 -0.767 1.00 44.43 H new ATOM 0 HG3 GLU A 50 8.944 -12.905 -1.921 1.00 44.43 H new ATOM 769 N ARG A 51 5.780 -9.286 -3.224 1.00 10.40 N ATOM 770 CA ARG A 51 5.138 -8.275 -4.086 1.00 22.41 C ATOM 771 C ARG A 51 3.863 -7.703 -3.432 1.00 54.01 C ATOM 772 O ARG A 51 3.149 -8.408 -2.721 1.00 74.12 O ATOM 773 CB ARG A 51 4.809 -8.901 -5.451 1.00 64.35 C ATOM 774 CG ARG A 51 3.913 -10.130 -5.349 1.00 43.13 C ATOM 775 CD ARG A 51 3.673 -10.804 -6.693 1.00 72.22 C ATOM 776 NE ARG A 51 2.670 -11.860 -6.573 1.00 2.15 N ATOM 777 CZ ARG A 51 2.085 -12.443 -7.576 1.00 11.24 C ATOM 778 NH1 ARG A 51 2.450 -12.202 -8.793 1.00 1.11 N ATOM 779 NH2 ARG A 51 1.147 -13.302 -7.354 1.00 40.20 N ATOM 0 H ARG A 51 5.139 -9.989 -2.856 1.00 10.40 H new ATOM 0 HA ARG A 51 5.833 -7.447 -4.224 1.00 22.41 H new ATOM 0 HB2 ARG A 51 4.321 -8.155 -6.077 1.00 64.35 H new ATOM 0 HB3 ARG A 51 5.738 -9.177 -5.950 1.00 64.35 H new ATOM 0 HG2 ARG A 51 4.366 -10.847 -4.665 1.00 43.13 H new ATOM 0 HG3 ARG A 51 2.955 -9.840 -4.918 1.00 43.13 H new ATOM 0 HD2 ARG A 51 3.343 -10.064 -7.422 1.00 72.22 H new ATOM 0 HD3 ARG A 51 4.607 -11.224 -7.066 1.00 72.22 H new ATOM 0 HE ARG A 51 2.410 -12.161 -5.634 1.00 2.15 H new ATOM 0 HH11 ARG A 51 3.208 -11.545 -8.977 1.00 1.11 H new ATOM 0 HH12 ARG A 51 1.980 -12.669 -9.568 1.00 1.11 H new ATOM 0 HH21 ARG A 51 0.870 -13.519 -6.397 1.00 40.20 H new ATOM 0 HH22 ARG A 51 0.683 -13.764 -8.136 1.00 40.20 H new ATOM 793 N ILE A 52 3.574 -6.426 -3.687 1.00 23.24 N ATOM 794 CA ILE A 52 2.421 -5.751 -3.069 1.00 72.11 C ATOM 795 C ILE A 52 1.554 -5.015 -4.106 1.00 20.43 C ATOM 796 O ILE A 52 2.053 -4.526 -5.124 1.00 35.43 O ATOM 797 CB ILE A 52 2.888 -4.744 -1.981 1.00 2.33 C ATOM 798 CG1 ILE A 52 1.685 -4.108 -1.259 1.00 54.31 C ATOM 799 CG2 ILE A 52 3.786 -3.667 -2.596 1.00 40.21 C ATOM 800 CD1 ILE A 52 2.071 -3.162 -0.140 1.00 64.54 C ATOM 0 H ILE A 52 4.119 -5.835 -4.315 1.00 23.24 H new ATOM 0 HA ILE A 52 1.813 -6.530 -2.609 1.00 72.11 H new ATOM 0 HB ILE A 52 3.468 -5.293 -1.239 1.00 2.33 H new ATOM 0 HG12 ILE A 52 1.081 -3.567 -1.987 1.00 54.31 H new ATOM 0 HG13 ILE A 52 1.058 -4.901 -0.851 1.00 54.31 H new ATOM 0 HG21 ILE A 52 4.103 -2.971 -1.820 1.00 40.21 H new ATOM 0 HG22 ILE A 52 4.662 -4.136 -3.043 1.00 40.21 H new ATOM 0 HG23 ILE A 52 3.232 -3.126 -3.364 1.00 40.21 H new ATOM 0 HD11 ILE A 52 1.170 -2.755 0.319 1.00 64.54 H new ATOM 0 HD12 ILE A 52 2.649 -3.702 0.610 1.00 64.54 H new ATOM 0 HD13 ILE A 52 2.672 -2.347 -0.543 1.00 64.54 H new ATOM 812 N ARG A 53 0.248 -4.955 -3.842 1.00 14.24 N ATOM 813 CA ARG A 53 -0.695 -4.234 -4.710 1.00 71.51 C ATOM 814 C ARG A 53 -1.996 -3.892 -3.964 1.00 1.31 C ATOM 815 O ARG A 53 -2.270 -4.433 -2.892 1.00 55.31 O ATOM 816 CB ARG A 53 -0.997 -5.064 -5.974 1.00 71.32 C ATOM 817 CG ARG A 53 -1.502 -6.488 -5.705 1.00 24.15 C ATOM 818 CD ARG A 53 -3.003 -6.549 -5.431 1.00 70.03 C ATOM 819 NE ARG A 53 -3.455 -7.915 -5.171 1.00 2.54 N ATOM 820 CZ ARG A 53 -4.404 -8.525 -5.832 1.00 74.32 C ATOM 821 NH1 ARG A 53 -5.009 -7.943 -6.820 1.00 70.11 N ATOM 822 NH2 ARG A 53 -4.739 -9.728 -5.497 1.00 30.11 N ATOM 0 H ARG A 53 -0.186 -5.398 -3.032 1.00 14.24 H new ATOM 0 HA ARG A 53 -0.229 -3.295 -5.008 1.00 71.51 H new ATOM 0 HB2 ARG A 53 -1.742 -4.536 -6.569 1.00 71.32 H new ATOM 0 HB3 ARG A 53 -0.091 -5.123 -6.578 1.00 71.32 H new ATOM 0 HG2 ARG A 53 -1.269 -7.118 -6.564 1.00 24.15 H new ATOM 0 HG3 ARG A 53 -0.966 -6.902 -4.851 1.00 24.15 H new ATOM 0 HD2 ARG A 53 -3.242 -5.919 -4.574 1.00 70.03 H new ATOM 0 HD3 ARG A 53 -3.545 -6.144 -6.286 1.00 70.03 H new ATOM 0 HE ARG A 53 -2.997 -8.430 -4.419 1.00 2.54 H new ATOM 0 HH11 ARG A 53 -4.747 -6.996 -7.092 1.00 70.11 H new ATOM 0 HH12 ARG A 53 -5.747 -8.433 -7.326 1.00 70.11 H new ATOM 0 HH21 ARG A 53 -4.264 -10.193 -4.723 1.00 30.11 H new ATOM 0 HH22 ARG A 53 -5.478 -10.212 -6.007 1.00 30.11 H new ATOM 836 N ILE A 54 -2.794 -2.995 -4.536 1.00 52.24 N ATOM 837 CA ILE A 54 -4.119 -2.681 -3.987 1.00 71.01 C ATOM 838 C ILE A 54 -5.185 -3.600 -4.594 1.00 20.12 C ATOM 839 O ILE A 54 -5.383 -3.624 -5.810 1.00 41.43 O ATOM 840 CB ILE A 54 -4.514 -1.203 -4.234 1.00 61.43 C ATOM 841 CG1 ILE A 54 -3.521 -0.270 -3.524 1.00 23.31 C ATOM 842 CG2 ILE A 54 -5.947 -0.936 -3.758 1.00 35.31 C ATOM 843 CD1 ILE A 54 -3.842 1.201 -3.672 1.00 4.12 C ATOM 0 H ILE A 54 -2.552 -2.472 -5.377 1.00 52.24 H new ATOM 0 HA ILE A 54 -4.064 -2.844 -2.911 1.00 71.01 H new ATOM 0 HB ILE A 54 -4.476 -1.005 -5.305 1.00 61.43 H new ATOM 0 HG12 ILE A 54 -3.498 -0.521 -2.464 1.00 23.31 H new ATOM 0 HG13 ILE A 54 -2.521 -0.454 -3.917 1.00 23.31 H new ATOM 0 HG21 ILE A 54 -6.203 0.108 -3.941 1.00 35.31 H new ATOM 0 HG22 ILE A 54 -6.637 -1.580 -4.303 1.00 35.31 H new ATOM 0 HG23 ILE A 54 -6.021 -1.146 -2.691 1.00 35.31 H new ATOM 0 HD11 ILE A 54 -3.094 1.792 -3.143 1.00 4.12 H new ATOM 0 HD12 ILE A 54 -3.836 1.470 -4.728 1.00 4.12 H new ATOM 0 HD13 ILE A 54 -4.827 1.402 -3.252 1.00 4.12 H new ATOM 855 N LYS A 55 -5.867 -4.358 -3.744 1.00 15.41 N ATOM 856 CA LYS A 55 -6.843 -5.345 -4.211 1.00 63.11 C ATOM 857 C LYS A 55 -8.238 -4.724 -4.395 1.00 43.20 C ATOM 858 O LYS A 55 -9.000 -5.141 -5.268 1.00 1.41 O ATOM 859 CB LYS A 55 -6.910 -6.520 -3.222 1.00 12.12 C ATOM 860 CG LYS A 55 -7.686 -7.730 -3.747 1.00 61.42 C ATOM 861 CD LYS A 55 -7.638 -8.903 -2.766 1.00 44.34 C ATOM 862 CE LYS A 55 -8.498 -8.660 -1.533 1.00 34.24 C ATOM 863 NZ LYS A 55 -9.951 -8.723 -1.844 1.00 22.14 N ATOM 0 H LYS A 55 -5.765 -4.311 -2.730 1.00 15.41 H new ATOM 0 HA LYS A 55 -6.514 -5.707 -5.185 1.00 63.11 H new ATOM 0 HB2 LYS A 55 -5.895 -6.831 -2.974 1.00 12.12 H new ATOM 0 HB3 LYS A 55 -7.373 -6.177 -2.297 1.00 12.12 H new ATOM 0 HG2 LYS A 55 -8.723 -7.447 -3.925 1.00 61.42 H new ATOM 0 HG3 LYS A 55 -7.271 -8.040 -4.706 1.00 61.42 H new ATOM 0 HD2 LYS A 55 -7.976 -9.809 -3.269 1.00 44.34 H new ATOM 0 HD3 LYS A 55 -6.606 -9.075 -2.459 1.00 44.34 H new ATOM 0 HE2 LYS A 55 -8.258 -9.402 -0.772 1.00 34.24 H new ATOM 0 HE3 LYS A 55 -8.260 -7.683 -1.112 1.00 34.24 H new ATOM 0 HZ1 LYS A 55 -10.496 -8.722 -0.958 1.00 22.14 H new ATOM 0 HZ2 LYS A 55 -10.220 -7.898 -2.417 1.00 22.14 H new ATOM 0 HZ3 LYS A 55 -10.155 -9.594 -2.375 1.00 22.14 H new ATOM 877 N GLU A 56 -8.559 -3.719 -3.582 1.00 42.30 N ATOM 878 CA GLU A 56 -9.900 -3.121 -3.597 1.00 13.12 C ATOM 879 C GLU A 56 -9.957 -1.803 -2.803 1.00 35.22 C ATOM 880 O GLU A 56 -9.368 -1.682 -1.730 1.00 22.43 O ATOM 881 CB GLU A 56 -10.902 -4.133 -3.018 1.00 33.22 C ATOM 882 CG GLU A 56 -12.332 -3.621 -2.906 1.00 15.22 C ATOM 883 CD GLU A 56 -13.312 -4.721 -2.526 1.00 21.20 C ATOM 884 OE1 GLU A 56 -13.410 -5.059 -1.328 1.00 20.33 O ATOM 885 OE2 GLU A 56 -13.980 -5.263 -3.435 1.00 43.43 O ATOM 0 H GLU A 56 -7.917 -3.302 -2.908 1.00 42.30 H new ATOM 0 HA GLU A 56 -10.157 -2.881 -4.629 1.00 13.12 H new ATOM 0 HB2 GLU A 56 -10.898 -5.026 -3.643 1.00 33.22 H new ATOM 0 HB3 GLU A 56 -10.561 -4.436 -2.028 1.00 33.22 H new ATOM 0 HG2 GLU A 56 -12.374 -2.827 -2.160 1.00 15.22 H new ATOM 0 HG3 GLU A 56 -12.634 -3.182 -3.857 1.00 15.22 H new ATOM 892 N ASP A 57 -10.668 -0.819 -3.347 1.00 33.14 N ATOM 893 CA ASP A 57 -10.901 0.452 -2.656 1.00 1.44 C ATOM 894 C ASP A 57 -12.102 1.190 -3.276 1.00 11.24 C ATOM 895 O ASP A 57 -12.740 0.682 -4.200 1.00 61.10 O ATOM 896 CB ASP A 57 -9.640 1.329 -2.697 1.00 2.33 C ATOM 897 CG ASP A 57 -9.286 1.788 -4.101 1.00 31.55 C ATOM 898 OD1 ASP A 57 -8.575 1.055 -4.812 1.00 52.34 O ATOM 899 OD2 ASP A 57 -9.722 2.892 -4.487 1.00 73.24 O ATOM 0 H ASP A 57 -11.097 -0.876 -4.271 1.00 33.14 H new ATOM 0 HA ASP A 57 -11.133 0.240 -1.612 1.00 1.44 H new ATOM 0 HB2 ASP A 57 -9.790 2.202 -2.061 1.00 2.33 H new ATOM 0 HB3 ASP A 57 -8.802 0.771 -2.280 1.00 2.33 H new ATOM 904 N ASN A 58 -12.411 2.383 -2.773 1.00 24.13 N ATOM 905 CA ASN A 58 -13.571 3.144 -3.265 1.00 50.02 C ATOM 906 C ASN A 58 -13.165 4.460 -3.960 1.00 73.00 C ATOM 907 O ASN A 58 -13.799 5.501 -3.764 1.00 30.21 O ATOM 908 CB ASN A 58 -14.551 3.431 -2.114 1.00 62.43 C ATOM 909 CG ASN A 58 -13.974 4.335 -1.041 1.00 40.05 C ATOM 910 OD1 ASN A 58 -12.782 4.306 -0.744 1.00 65.32 O ATOM 911 ND2 ASN A 58 -14.815 5.164 -0.461 1.00 43.15 N ATOM 0 H ASN A 58 -11.884 2.845 -2.032 1.00 24.13 H new ATOM 0 HA ASN A 58 -14.063 2.524 -4.015 1.00 50.02 H new ATOM 0 HB2 ASN A 58 -15.452 3.891 -2.520 1.00 62.43 H new ATOM 0 HB3 ASN A 58 -14.852 2.487 -1.660 1.00 62.43 H new ATOM 0 HD21 ASN A 58 -14.483 5.807 0.258 1.00 43.15 H new ATOM 0 HD22 ASN A 58 -15.799 5.163 -0.730 1.00 43.15 H new ATOM 918 N SER A 59 -12.116 4.419 -4.775 1.00 13.45 N ATOM 919 CA SER A 59 -11.735 5.587 -5.591 1.00 41.51 C ATOM 920 C SER A 59 -12.484 5.561 -6.929 1.00 65.24 C ATOM 921 O SER A 59 -12.498 4.539 -7.605 1.00 51.31 O ATOM 922 CB SER A 59 -10.222 5.617 -5.863 1.00 43.32 C ATOM 923 OG SER A 59 -9.471 5.661 -4.657 1.00 4.04 O ATOM 0 H SER A 59 -11.515 3.604 -4.894 1.00 13.45 H new ATOM 0 HA SER A 59 -12.004 6.481 -5.029 1.00 41.51 H new ATOM 0 HB2 SER A 59 -9.938 4.735 -6.436 1.00 43.32 H new ATOM 0 HB3 SER A 59 -9.979 6.486 -6.474 1.00 43.32 H new ATOM 0 HG SER A 59 -9.342 4.750 -4.318 1.00 4.04 H new ATOM 929 N PRO A 60 -13.101 6.684 -7.348 1.00 21.12 N ATOM 930 CA PRO A 60 -13.889 6.734 -8.597 1.00 71.30 C ATOM 931 C PRO A 60 -13.109 6.219 -9.821 1.00 50.12 C ATOM 932 O PRO A 60 -13.650 5.500 -10.663 1.00 11.05 O ATOM 933 CB PRO A 60 -14.227 8.232 -8.757 1.00 71.41 C ATOM 934 CG PRO A 60 -13.340 8.950 -7.786 1.00 21.32 C ATOM 935 CD PRO A 60 -13.090 7.984 -6.661 1.00 45.44 C ATOM 0 HA PRO A 60 -14.767 6.090 -8.540 1.00 71.30 H new ATOM 0 HB2 PRO A 60 -14.044 8.568 -9.778 1.00 71.41 H new ATOM 0 HB3 PRO A 60 -15.279 8.422 -8.542 1.00 71.41 H new ATOM 0 HG2 PRO A 60 -12.405 9.249 -8.259 1.00 21.32 H new ATOM 0 HG3 PRO A 60 -13.817 9.860 -7.421 1.00 21.32 H new ATOM 0 HD2 PRO A 60 -12.137 8.174 -6.168 1.00 45.44 H new ATOM 0 HD3 PRO A 60 -13.863 8.045 -5.895 1.00 45.44 H new ATOM 943 N ASP A 61 -11.832 6.585 -9.900 1.00 12.04 N ATOM 944 CA ASP A 61 -10.962 6.186 -11.013 1.00 14.32 C ATOM 945 C ASP A 61 -10.198 4.880 -10.723 1.00 61.01 C ATOM 946 O ASP A 61 -9.623 4.284 -11.633 1.00 42.10 O ATOM 947 CB ASP A 61 -9.967 7.312 -11.300 1.00 53.24 C ATOM 948 CG ASP A 61 -10.665 8.610 -11.661 1.00 2.32 C ATOM 949 OD1 ASP A 61 -11.179 9.285 -10.746 1.00 31.45 O ATOM 950 OD2 ASP A 61 -10.708 8.955 -12.861 1.00 4.14 O ATOM 0 H ASP A 61 -11.369 7.164 -9.200 1.00 12.04 H new ATOM 0 HA ASP A 61 -11.595 6.003 -11.881 1.00 14.32 H new ATOM 0 HB2 ASP A 61 -9.337 7.471 -10.425 1.00 53.24 H new ATOM 0 HB3 ASP A 61 -9.309 7.015 -12.117 1.00 53.24 H new ATOM 955 N GLN A 62 -10.197 4.447 -9.458 1.00 3.51 N ATOM 956 CA GLN A 62 -9.412 3.278 -9.013 1.00 23.31 C ATOM 957 C GLN A 62 -8.017 3.223 -9.664 1.00 51.02 C ATOM 958 O GLN A 62 -7.730 2.355 -10.490 1.00 1.32 O ATOM 959 CB GLN A 62 -10.176 1.975 -9.260 1.00 72.30 C ATOM 960 CG GLN A 62 -11.417 1.855 -8.388 1.00 34.03 C ATOM 961 CD GLN A 62 -11.697 0.438 -7.942 1.00 63.22 C ATOM 962 OE1 GLN A 62 -11.460 -0.526 -8.664 1.00 21.44 O ATOM 963 NE2 GLN A 62 -12.167 0.303 -6.725 1.00 24.45 N ATOM 0 H GLN A 62 -10.735 4.890 -8.713 1.00 3.51 H new ATOM 0 HA GLN A 62 -9.260 3.394 -7.940 1.00 23.31 H new ATOM 0 HB2 GLN A 62 -10.466 1.921 -10.309 1.00 72.30 H new ATOM 0 HB3 GLN A 62 -9.517 1.129 -9.067 1.00 72.30 H new ATOM 0 HG2 GLN A 62 -11.298 2.489 -7.509 1.00 34.03 H new ATOM 0 HG3 GLN A 62 -12.278 2.232 -8.939 1.00 34.03 H new ATOM 0 HE21 GLN A 62 -12.351 1.129 -6.155 1.00 24.45 H new ATOM 0 HE22 GLN A 62 -12.348 -0.628 -6.348 1.00 24.45 H new ATOM 972 N VAL A 63 -7.162 4.176 -9.300 1.00 50.54 N ATOM 973 CA VAL A 63 -5.813 4.273 -9.868 1.00 52.32 C ATOM 974 C VAL A 63 -4.885 3.182 -9.309 1.00 1.12 C ATOM 975 O VAL A 63 -4.175 2.510 -10.060 1.00 65.12 O ATOM 976 CB VAL A 63 -5.194 5.666 -9.585 1.00 72.22 C ATOM 977 CG1 VAL A 63 -3.816 5.802 -10.232 1.00 2.13 C ATOM 978 CG2 VAL A 63 -6.131 6.779 -10.056 1.00 71.34 C ATOM 0 H VAL A 63 -7.378 4.897 -8.611 1.00 50.54 H new ATOM 0 HA VAL A 63 -5.909 4.131 -10.944 1.00 52.32 H new ATOM 0 HB VAL A 63 -5.064 5.762 -8.507 1.00 72.22 H new ATOM 0 HG11 VAL A 63 -3.408 6.789 -10.016 1.00 2.13 H new ATOM 0 HG12 VAL A 63 -3.149 5.038 -9.832 1.00 2.13 H new ATOM 0 HG13 VAL A 63 -3.906 5.675 -11.311 1.00 2.13 H new ATOM 0 HG21 VAL A 63 -5.678 7.748 -9.848 1.00 71.34 H new ATOM 0 HG22 VAL A 63 -6.302 6.681 -11.128 1.00 71.34 H new ATOM 0 HG23 VAL A 63 -7.082 6.702 -9.528 1.00 71.34 H new ATOM 988 N GLY A 64 -4.907 3.008 -7.988 1.00 54.12 N ATOM 989 CA GLY A 64 -4.045 2.025 -7.334 1.00 3.13 C ATOM 990 C GLY A 64 -4.217 0.606 -7.868 1.00 22.40 C ATOM 991 O GLY A 64 -3.236 -0.101 -8.098 1.00 64.15 O ATOM 0 H GLY A 64 -5.509 3.532 -7.353 1.00 54.12 H new ATOM 0 HA2 GLY A 64 -3.005 2.327 -7.459 1.00 3.13 H new ATOM 0 HA3 GLY A 64 -4.252 2.028 -6.264 1.00 3.13 H new ATOM 995 N VAL A 65 -5.466 0.191 -8.069 1.00 65.34 N ATOM 996 CA VAL A 65 -5.766 -1.137 -8.619 1.00 44.53 C ATOM 997 C VAL A 65 -5.183 -1.313 -10.036 1.00 32.24 C ATOM 998 O VAL A 65 -4.686 -2.385 -10.392 1.00 23.14 O ATOM 999 CB VAL A 65 -7.295 -1.389 -8.660 1.00 74.24 C ATOM 1000 CG1 VAL A 65 -7.607 -2.782 -9.205 1.00 22.12 C ATOM 1001 CG2 VAL A 65 -7.914 -1.199 -7.274 1.00 62.21 C ATOM 0 H VAL A 65 -6.291 0.754 -7.860 1.00 65.34 H new ATOM 0 HA VAL A 65 -5.297 -1.865 -7.957 1.00 44.53 H new ATOM 0 HB VAL A 65 -7.738 -0.656 -9.335 1.00 74.24 H new ATOM 0 HG11 VAL A 65 -8.686 -2.932 -9.223 1.00 22.12 H new ATOM 0 HG12 VAL A 65 -7.211 -2.874 -10.216 1.00 22.12 H new ATOM 0 HG13 VAL A 65 -7.146 -3.535 -8.565 1.00 22.12 H new ATOM 0 HG21 VAL A 65 -8.987 -1.381 -7.327 1.00 62.21 H new ATOM 0 HG22 VAL A 65 -7.461 -1.901 -6.574 1.00 62.21 H new ATOM 0 HG23 VAL A 65 -7.735 -0.180 -6.932 1.00 62.21 H new ATOM 1011 N LYS A 66 -5.237 -0.248 -10.834 1.00 51.23 N ATOM 1012 CA LYS A 66 -4.726 -0.277 -12.212 1.00 63.34 C ATOM 1013 C LYS A 66 -3.188 -0.334 -12.257 1.00 64.34 C ATOM 1014 O LYS A 66 -2.610 -0.865 -13.209 1.00 70.10 O ATOM 1015 CB LYS A 66 -5.240 0.946 -12.983 1.00 2.03 C ATOM 1016 CG LYS A 66 -6.753 0.951 -13.172 1.00 23.23 C ATOM 1017 CD LYS A 66 -7.243 2.234 -13.837 1.00 73.51 C ATOM 1018 CE LYS A 66 -8.755 2.221 -14.043 1.00 21.32 C ATOM 1019 NZ LYS A 66 -9.489 1.981 -12.772 1.00 2.43 N ATOM 0 H LYS A 66 -5.630 0.650 -10.553 1.00 51.23 H new ATOM 0 HA LYS A 66 -5.095 -1.187 -12.685 1.00 63.34 H new ATOM 0 HB2 LYS A 66 -4.945 1.851 -12.452 1.00 2.03 H new ATOM 0 HB3 LYS A 66 -4.759 0.978 -13.961 1.00 2.03 H new ATOM 0 HG2 LYS A 66 -7.045 0.094 -13.779 1.00 23.23 H new ATOM 0 HG3 LYS A 66 -7.240 0.836 -12.203 1.00 23.23 H new ATOM 0 HD2 LYS A 66 -6.967 3.091 -13.222 1.00 73.51 H new ATOM 0 HD3 LYS A 66 -6.746 2.358 -14.799 1.00 73.51 H new ATOM 0 HE2 LYS A 66 -9.071 3.173 -14.470 1.00 21.32 H new ATOM 0 HE3 LYS A 66 -9.016 1.446 -14.764 1.00 21.32 H new ATOM 0 HZ1 LYS A 66 -10.507 2.130 -12.925 1.00 2.43 H new ATOM 0 HZ2 LYS A 66 -9.326 1.004 -12.456 1.00 2.43 H new ATOM 0 HZ3 LYS A 66 -9.148 2.641 -12.044 1.00 2.43 H new ATOM 1033 N MET A 67 -2.534 0.215 -11.232 1.00 60.23 N ATOM 1034 CA MET A 67 -1.062 0.182 -11.129 1.00 72.34 C ATOM 1035 C MET A 67 -0.512 -1.260 -11.156 1.00 31.31 C ATOM 1036 O MET A 67 0.616 -1.501 -11.598 1.00 65.11 O ATOM 1037 CB MET A 67 -0.606 0.897 -9.848 1.00 13.24 C ATOM 1038 CG MET A 67 -0.830 2.404 -9.872 1.00 23.41 C ATOM 1039 SD MET A 67 0.112 3.225 -11.176 1.00 31.11 S ATOM 1040 CE MET A 67 -0.370 4.936 -10.930 1.00 52.20 C ATOM 0 H MET A 67 -2.996 0.690 -10.457 1.00 60.23 H new ATOM 0 HA MET A 67 -0.661 0.702 -11.999 1.00 72.34 H new ATOM 0 HB2 MET A 67 -1.139 0.473 -8.997 1.00 13.24 H new ATOM 0 HB3 MET A 67 0.454 0.699 -9.690 1.00 13.24 H new ATOM 0 HG2 MET A 67 -1.892 2.608 -10.012 1.00 23.41 H new ATOM 0 HG3 MET A 67 -0.550 2.825 -8.906 1.00 23.41 H new ATOM 0 HE1 MET A 67 0.409 5.593 -11.317 1.00 52.20 H new ATOM 0 HE2 MET A 67 -1.304 5.131 -11.458 1.00 52.20 H new ATOM 0 HE3 MET A 67 -0.509 5.125 -9.866 1.00 52.20 H new ATOM 1050 N GLY A 68 -1.315 -2.208 -10.677 1.00 24.13 N ATOM 1051 CA GLY A 68 -0.936 -3.618 -10.723 1.00 0.44 C ATOM 1052 C GLY A 68 0.037 -4.031 -9.619 1.00 63.14 C ATOM 1053 O GLY A 68 0.103 -3.396 -8.565 1.00 53.13 O ATOM 0 H GLY A 68 -2.226 -2.027 -10.255 1.00 24.13 H new ATOM 0 HA2 GLY A 68 -1.836 -4.229 -10.649 1.00 0.44 H new ATOM 0 HA3 GLY A 68 -0.484 -3.832 -11.692 1.00 0.44 H new ATOM 1057 N TRP A 69 0.796 -5.096 -9.868 1.00 15.13 N ATOM 1058 CA TRP A 69 1.739 -5.634 -8.877 1.00 62.21 C ATOM 1059 C TRP A 69 3.073 -4.866 -8.880 1.00 23.20 C ATOM 1060 O TRP A 69 3.778 -4.823 -9.891 1.00 55.24 O ATOM 1061 CB TRP A 69 2.005 -7.122 -9.158 1.00 75.21 C ATOM 1062 CG TRP A 69 0.777 -7.987 -9.075 1.00 61.11 C ATOM 1063 CD1 TRP A 69 -0.129 -8.231 -10.069 1.00 21.30 C ATOM 1064 CD2 TRP A 69 0.327 -8.728 -7.933 1.00 12.24 C ATOM 1065 NE1 TRP A 69 -1.112 -9.074 -9.613 1.00 11.32 N ATOM 1066 CE2 TRP A 69 -0.855 -9.394 -8.306 1.00 73.21 C ATOM 1067 CE3 TRP A 69 0.810 -8.890 -6.634 1.00 41.23 C ATOM 1068 CZ2 TRP A 69 -1.559 -10.211 -7.426 1.00 4.11 C ATOM 1069 CZ3 TRP A 69 0.111 -9.700 -5.759 1.00 30.12 C ATOM 1070 CH2 TRP A 69 -1.062 -10.352 -6.159 1.00 53.04 C ATOM 0 H TRP A 69 0.780 -5.609 -10.750 1.00 15.13 H new ATOM 0 HA TRP A 69 1.283 -5.516 -7.894 1.00 62.21 H new ATOM 0 HB2 TRP A 69 2.441 -7.222 -10.152 1.00 75.21 H new ATOM 0 HB3 TRP A 69 2.745 -7.489 -8.447 1.00 75.21 H new ATOM 0 HD1 TRP A 69 -0.079 -7.821 -11.067 1.00 21.30 H new ATOM 0 HE1 TRP A 69 -1.906 -9.408 -10.159 1.00 11.32 H new ATOM 0 HE3 TRP A 69 1.714 -8.391 -6.318 1.00 41.23 H new ATOM 0 HZ2 TRP A 69 -2.464 -10.715 -7.732 1.00 4.11 H new ATOM 0 HZ3 TRP A 69 0.475 -9.832 -4.751 1.00 30.12 H new ATOM 0 HH2 TRP A 69 -1.585 -10.979 -5.453 1.00 53.04 H new ATOM 1081 N LYS A 70 3.409 -4.266 -7.741 1.00 53.11 N ATOM 1082 CA LYS A 70 4.692 -3.576 -7.559 1.00 63.32 C ATOM 1083 C LYS A 70 5.569 -4.349 -6.560 1.00 32.20 C ATOM 1084 O LYS A 70 5.044 -5.022 -5.668 1.00 35.34 O ATOM 1085 CB LYS A 70 4.446 -2.145 -7.061 1.00 22.42 C ATOM 1086 CG LYS A 70 3.613 -1.288 -8.012 1.00 34.44 C ATOM 1087 CD LYS A 70 4.282 -1.137 -9.380 1.00 51.55 C ATOM 1088 CE LYS A 70 3.481 -0.241 -10.318 1.00 30.44 C ATOM 1089 NZ LYS A 70 4.148 -0.083 -11.640 1.00 42.42 N ATOM 0 H LYS A 70 2.806 -4.242 -6.919 1.00 53.11 H new ATOM 0 HA LYS A 70 5.214 -3.531 -8.515 1.00 63.32 H new ATOM 0 HB2 LYS A 70 3.944 -2.189 -6.095 1.00 22.42 H new ATOM 0 HB3 LYS A 70 5.408 -1.658 -6.898 1.00 22.42 H new ATOM 0 HG2 LYS A 70 2.628 -1.738 -8.137 1.00 34.44 H new ATOM 0 HG3 LYS A 70 3.460 -0.302 -7.572 1.00 34.44 H new ATOM 0 HD2 LYS A 70 5.282 -0.722 -9.250 1.00 51.55 H new ATOM 0 HD3 LYS A 70 4.402 -2.121 -9.834 1.00 51.55 H new ATOM 0 HE2 LYS A 70 2.486 -0.663 -10.461 1.00 30.44 H new ATOM 0 HE3 LYS A 70 3.348 0.739 -9.859 1.00 30.44 H new ATOM 0 HZ1 LYS A 70 3.572 0.533 -12.248 1.00 42.42 H new ATOM 0 HZ2 LYS A 70 5.087 0.343 -11.506 1.00 42.42 H new ATOM 0 HZ3 LYS A 70 4.252 -1.015 -12.090 1.00 42.42 H new ATOM 1103 N SER A 71 6.898 -4.264 -6.688 1.00 75.34 N ATOM 1104 CA SER A 71 7.782 -5.082 -5.828 1.00 72.40 C ATOM 1105 C SER A 71 9.270 -4.691 -5.885 1.00 15.54 C ATOM 1106 O SER A 71 10.106 -5.382 -5.300 1.00 52.34 O ATOM 1107 CB SER A 71 7.647 -6.563 -6.203 1.00 20.12 C ATOM 1108 OG SER A 71 7.934 -6.781 -7.580 1.00 33.20 O ATOM 0 H SER A 71 7.380 -3.660 -7.354 1.00 75.34 H new ATOM 0 HA SER A 71 7.449 -4.894 -4.807 1.00 72.40 H new ATOM 0 HB2 SER A 71 8.325 -7.158 -5.590 1.00 20.12 H new ATOM 0 HB3 SER A 71 6.636 -6.904 -5.983 1.00 20.12 H new ATOM 0 HG SER A 71 7.841 -7.734 -7.787 1.00 33.20 H new ATOM 1114 N LYS A 72 9.618 -3.605 -6.569 1.00 55.24 N ATOM 1115 CA LYS A 72 11.029 -3.209 -6.696 1.00 21.41 C ATOM 1116 C LYS A 72 11.274 -1.770 -6.224 1.00 72.33 C ATOM 1117 O LYS A 72 10.379 -0.922 -6.262 1.00 24.11 O ATOM 1118 CB LYS A 72 11.513 -3.396 -8.144 1.00 4.40 C ATOM 1119 CG LYS A 72 11.619 -4.864 -8.565 1.00 52.43 C ATOM 1120 CD LYS A 72 12.556 -5.639 -7.638 1.00 32.35 C ATOM 1121 CE LYS A 72 12.594 -7.129 -7.966 1.00 31.24 C ATOM 1122 NZ LYS A 72 13.173 -7.401 -9.309 1.00 41.13 N ATOM 0 H LYS A 72 8.958 -2.987 -7.040 1.00 55.24 H new ATOM 0 HA LYS A 72 11.608 -3.862 -6.043 1.00 21.41 H new ATOM 0 HB2 LYS A 72 10.828 -2.881 -8.818 1.00 4.40 H new ATOM 0 HB3 LYS A 72 12.488 -2.922 -8.257 1.00 4.40 H new ATOM 0 HG2 LYS A 72 10.630 -5.321 -8.551 1.00 52.43 H new ATOM 0 HG3 LYS A 72 11.984 -4.926 -9.590 1.00 52.43 H new ATOM 0 HD2 LYS A 72 13.562 -5.227 -7.715 1.00 32.35 H new ATOM 0 HD3 LYS A 72 12.234 -5.505 -6.605 1.00 32.35 H new ATOM 0 HE2 LYS A 72 13.180 -7.650 -7.209 1.00 31.24 H new ATOM 0 HE3 LYS A 72 11.583 -7.534 -7.921 1.00 31.24 H new ATOM 0 HZ1 LYS A 72 13.208 -8.428 -9.470 1.00 41.13 H new ATOM 0 HZ2 LYS A 72 12.581 -6.956 -10.039 1.00 41.13 H new ATOM 0 HZ3 LYS A 72 14.135 -7.010 -9.358 1.00 41.13 H new ATOM 1136 N ALA A 73 12.500 -1.512 -5.765 1.00 71.12 N ATOM 1137 CA ALA A 73 12.889 -0.187 -5.277 1.00 44.04 C ATOM 1138 C ALA A 73 12.727 0.877 -6.369 1.00 41.24 C ATOM 1139 O ALA A 73 13.574 1.016 -7.254 1.00 31.32 O ATOM 1140 CB ALA A 73 14.324 -0.216 -4.768 1.00 74.52 C ATOM 0 H ALA A 73 13.245 -2.208 -5.721 1.00 71.12 H new ATOM 0 HA ALA A 73 12.227 0.079 -4.453 1.00 44.04 H new ATOM 0 HB1 ALA A 73 14.602 0.774 -4.408 1.00 74.52 H new ATOM 0 HB2 ALA A 73 14.407 -0.935 -3.953 1.00 74.52 H new ATOM 0 HB3 ALA A 73 14.992 -0.508 -5.579 1.00 74.52 H new ATOM 1146 N GLY A 74 11.629 1.619 -6.298 1.00 74.31 N ATOM 1147 CA GLY A 74 11.308 2.602 -7.324 1.00 72.14 C ATOM 1148 C GLY A 74 9.818 2.647 -7.644 1.00 4.24 C ATOM 1149 O GLY A 74 9.326 3.631 -8.202 1.00 62.44 O ATOM 0 H GLY A 74 10.947 1.559 -5.542 1.00 74.31 H new ATOM 0 HA2 GLY A 74 11.635 3.588 -6.993 1.00 72.14 H new ATOM 0 HA3 GLY A 74 11.864 2.370 -8.232 1.00 72.14 H new ATOM 1153 N ASP A 75 9.106 1.575 -7.297 1.00 12.43 N ATOM 1154 CA ASP A 75 7.656 1.506 -7.491 1.00 21.32 C ATOM 1155 C ASP A 75 6.905 2.325 -6.426 1.00 54.01 C ATOM 1156 O ASP A 75 7.215 2.248 -5.237 1.00 71.20 O ATOM 1157 CB ASP A 75 7.184 0.048 -7.435 1.00 13.31 C ATOM 1158 CG ASP A 75 7.694 -0.797 -8.589 1.00 60.02 C ATOM 1159 OD1 ASP A 75 7.737 -0.291 -9.727 1.00 5.14 O ATOM 1160 OD2 ASP A 75 8.026 -1.985 -8.368 1.00 11.23 O ATOM 0 H ASP A 75 9.511 0.738 -6.878 1.00 12.43 H new ATOM 0 HA ASP A 75 7.435 1.929 -8.471 1.00 21.32 H new ATOM 0 HB2 ASP A 75 7.513 -0.397 -6.496 1.00 13.31 H new ATOM 0 HB3 ASP A 75 6.094 0.027 -7.433 1.00 13.31 H new ATOM 1165 N THR A 76 5.918 3.107 -6.854 1.00 54.23 N ATOM 1166 CA THR A 76 5.077 3.880 -5.924 1.00 71.14 C ATOM 1167 C THR A 76 3.590 3.786 -6.293 1.00 44.30 C ATOM 1168 O THR A 76 3.234 3.622 -7.459 1.00 74.54 O ATOM 1169 CB THR A 76 5.482 5.378 -5.874 1.00 20.15 C ATOM 1170 OG1 THR A 76 5.464 5.943 -7.192 1.00 65.45 O ATOM 1171 CG2 THR A 76 6.864 5.567 -5.252 1.00 55.10 C ATOM 0 H THR A 76 5.675 3.227 -7.837 1.00 54.23 H new ATOM 0 HA THR A 76 5.237 3.437 -4.941 1.00 71.14 H new ATOM 0 HB THR A 76 4.754 5.893 -5.247 1.00 20.15 H new ATOM 0 HG1 THR A 76 5.719 6.888 -7.146 1.00 65.45 H new ATOM 0 HG21 THR A 76 7.113 6.628 -5.234 1.00 55.10 H new ATOM 0 HG22 THR A 76 6.861 5.178 -4.234 1.00 55.10 H new ATOM 0 HG23 THR A 76 7.606 5.030 -5.843 1.00 55.10 H new ATOM 1179 N ILE A 77 2.726 3.882 -5.283 1.00 41.34 N ATOM 1180 CA ILE A 77 1.271 3.833 -5.480 1.00 24.04 C ATOM 1181 C ILE A 77 0.621 5.167 -5.075 1.00 54.03 C ATOM 1182 O ILE A 77 0.830 5.653 -3.963 1.00 71.13 O ATOM 1183 CB ILE A 77 0.631 2.682 -4.656 1.00 5.23 C ATOM 1184 CG1 ILE A 77 1.247 1.324 -5.041 1.00 12.11 C ATOM 1185 CG2 ILE A 77 -0.885 2.657 -4.842 1.00 14.03 C ATOM 1186 CD1 ILE A 77 1.023 0.937 -6.491 1.00 11.20 C ATOM 0 H ILE A 77 3.009 3.995 -4.310 1.00 41.34 H new ATOM 0 HA ILE A 77 1.093 3.651 -6.540 1.00 24.04 H new ATOM 0 HB ILE A 77 0.842 2.866 -3.602 1.00 5.23 H new ATOM 0 HG12 ILE A 77 2.319 1.353 -4.844 1.00 12.11 H new ATOM 0 HG13 ILE A 77 0.826 0.550 -4.399 1.00 12.11 H new ATOM 0 HG21 ILE A 77 -1.310 1.843 -4.255 1.00 14.03 H new ATOM 0 HG22 ILE A 77 -1.308 3.604 -4.508 1.00 14.03 H new ATOM 0 HG23 ILE A 77 -1.120 2.506 -5.896 1.00 14.03 H new ATOM 0 HD11 ILE A 77 1.486 -0.031 -6.685 1.00 11.20 H new ATOM 0 HD12 ILE A 77 -0.047 0.874 -6.690 1.00 11.20 H new ATOM 0 HD13 ILE A 77 1.469 1.689 -7.141 1.00 11.20 H new ATOM 1198 N VAL A 78 -0.174 5.747 -5.975 1.00 51.33 N ATOM 1199 CA VAL A 78 -0.807 7.051 -5.733 1.00 3.05 C ATOM 1200 C VAL A 78 -2.343 6.940 -5.665 1.00 15.42 C ATOM 1201 O VAL A 78 -2.993 6.541 -6.632 1.00 21.24 O ATOM 1202 CB VAL A 78 -0.422 8.067 -6.841 1.00 51.13 C ATOM 1203 CG1 VAL A 78 -1.024 9.443 -6.555 1.00 64.51 C ATOM 1204 CG2 VAL A 78 1.096 8.160 -6.991 1.00 42.44 C ATOM 0 H VAL A 78 -0.397 5.336 -6.881 1.00 51.33 H new ATOM 0 HA VAL A 78 -0.440 7.403 -4.769 1.00 3.05 H new ATOM 0 HB VAL A 78 -0.835 7.708 -7.784 1.00 51.13 H new ATOM 0 HG11 VAL A 78 -0.739 10.136 -7.346 1.00 64.51 H new ATOM 0 HG12 VAL A 78 -2.110 9.364 -6.516 1.00 64.51 H new ATOM 0 HG13 VAL A 78 -0.652 9.811 -5.599 1.00 64.51 H new ATOM 0 HG21 VAL A 78 1.341 8.878 -7.773 1.00 42.44 H new ATOM 0 HG22 VAL A 78 1.535 8.486 -6.048 1.00 42.44 H new ATOM 0 HG23 VAL A 78 1.496 7.182 -7.258 1.00 42.44 H new ATOM 1214 N CYS A 79 -2.914 7.298 -4.512 1.00 60.31 N ATOM 1215 CA CYS A 79 -4.375 7.309 -4.330 1.00 33.34 C ATOM 1216 C CYS A 79 -4.878 8.705 -3.929 1.00 32.11 C ATOM 1217 O CYS A 79 -5.218 8.944 -2.765 1.00 31.30 O ATOM 1218 CB CYS A 79 -4.800 6.279 -3.274 1.00 2.30 C ATOM 1219 SG CYS A 79 -4.476 4.564 -3.737 1.00 64.53 S ATOM 0 H CYS A 79 -2.389 7.585 -3.686 1.00 60.31 H new ATOM 0 HA CYS A 79 -4.825 7.043 -5.286 1.00 33.34 H new ATOM 0 HB2 CYS A 79 -4.279 6.496 -2.341 1.00 2.30 H new ATOM 0 HB3 CYS A 79 -5.866 6.395 -3.078 1.00 2.30 H new ATOM 0 HG CYS A 79 -4.250 3.861 -2.667 1.00 64.53 H new ATOM 1225 N LEU A 80 -4.933 9.616 -4.904 1.00 13.42 N ATOM 1226 CA LEU A 80 -5.326 11.015 -4.658 1.00 33.55 C ATOM 1227 C LEU A 80 -6.707 11.147 -3.968 1.00 33.12 C ATOM 1228 O LEU A 80 -6.818 11.836 -2.955 1.00 34.12 O ATOM 1229 CB LEU A 80 -5.309 11.815 -5.973 1.00 61.34 C ATOM 1230 CG LEU A 80 -3.948 11.885 -6.686 1.00 4.01 C ATOM 1231 CD1 LEU A 80 -4.066 12.629 -8.014 1.00 41.30 C ATOM 1232 CD2 LEU A 80 -2.900 12.542 -5.787 1.00 20.24 C ATOM 0 H LEU A 80 -4.710 9.413 -5.878 1.00 13.42 H new ATOM 0 HA LEU A 80 -4.590 11.428 -3.968 1.00 33.55 H new ATOM 0 HB2 LEU A 80 -6.035 11.374 -6.656 1.00 61.34 H new ATOM 0 HB3 LEU A 80 -5.643 12.831 -5.764 1.00 61.34 H new ATOM 0 HG LEU A 80 -3.624 10.866 -6.898 1.00 4.01 H new ATOM 0 HD11 LEU A 80 -3.090 12.665 -8.499 1.00 41.30 H new ATOM 0 HD12 LEU A 80 -4.773 12.110 -8.660 1.00 41.30 H new ATOM 0 HD13 LEU A 80 -4.418 13.644 -7.832 1.00 41.30 H new ATOM 0 HD21 LEU A 80 -1.945 12.581 -6.311 1.00 20.24 H new ATOM 0 HD22 LEU A 80 -3.219 13.554 -5.536 1.00 20.24 H new ATOM 0 HD23 LEU A 80 -2.789 11.960 -4.872 1.00 20.24 H new ATOM 1244 N PRO A 81 -7.779 10.487 -4.482 1.00 22.20 N ATOM 1245 CA PRO A 81 -9.123 10.585 -3.872 1.00 32.04 C ATOM 1246 C PRO A 81 -9.156 10.165 -2.387 1.00 61.32 C ATOM 1247 O PRO A 81 -10.112 10.464 -1.668 1.00 14.01 O ATOM 1248 CB PRO A 81 -9.977 9.627 -4.719 1.00 24.24 C ATOM 1249 CG PRO A 81 -9.252 9.515 -6.019 1.00 15.31 C ATOM 1250 CD PRO A 81 -7.789 9.623 -5.681 1.00 74.25 C ATOM 0 HA PRO A 81 -9.479 11.615 -3.871 1.00 32.04 H new ATOM 0 HB2 PRO A 81 -10.076 8.655 -4.237 1.00 24.24 H new ATOM 0 HB3 PRO A 81 -10.985 10.017 -4.861 1.00 24.24 H new ATOM 0 HG2 PRO A 81 -9.471 8.566 -6.509 1.00 15.31 H new ATOM 0 HG3 PRO A 81 -9.555 10.306 -6.705 1.00 15.31 H new ATOM 0 HD2 PRO A 81 -7.350 8.646 -5.476 1.00 74.25 H new ATOM 0 HD3 PRO A 81 -7.219 10.064 -6.499 1.00 74.25 H new ATOM 1258 N HIS A 82 -8.120 9.452 -1.934 1.00 3.42 N ATOM 1259 CA HIS A 82 -8.038 8.998 -0.536 1.00 15.31 C ATOM 1260 C HIS A 82 -6.866 9.665 0.214 1.00 62.24 C ATOM 1261 O HIS A 82 -6.701 9.458 1.416 1.00 44.32 O ATOM 1262 CB HIS A 82 -7.890 7.467 -0.477 1.00 73.25 C ATOM 1263 CG HIS A 82 -9.036 6.707 -1.083 1.00 11.12 C ATOM 1264 ND1 HIS A 82 -9.044 5.337 -1.198 1.00 35.02 N ATOM 1265 CD2 HIS A 82 -10.212 7.127 -1.609 1.00 42.34 C ATOM 1266 CE1 HIS A 82 -10.164 4.949 -1.769 1.00 14.21 C ATOM 1267 NE2 HIS A 82 -10.892 6.011 -2.025 1.00 64.21 N ATOM 0 H HIS A 82 -7.326 9.175 -2.512 1.00 3.42 H new ATOM 0 HA HIS A 82 -8.965 9.292 -0.043 1.00 15.31 H new ATOM 0 HB2 HIS A 82 -6.971 7.183 -0.990 1.00 73.25 H new ATOM 0 HB3 HIS A 82 -7.780 7.165 0.565 1.00 73.25 H new ATOM 0 HD1 HIS A 82 -8.296 4.716 -0.888 1.00 35.02 H new ATOM 0 HD2 HIS A 82 -10.551 8.150 -1.686 1.00 42.34 H new ATOM 0 HE1 HIS A 82 -10.438 3.928 -1.990 1.00 14.21 H new ATOM 1276 N LYS A 83 -6.065 10.464 -0.504 1.00 2.45 N ATOM 1277 CA LYS A 83 -4.888 11.145 0.072 1.00 14.31 C ATOM 1278 C LYS A 83 -3.846 10.140 0.609 1.00 61.25 C ATOM 1279 O LYS A 83 -3.101 10.438 1.549 1.00 30.04 O ATOM 1280 CB LYS A 83 -5.317 12.114 1.189 1.00 73.12 C ATOM 1281 CG LYS A 83 -6.233 13.241 0.712 1.00 13.35 C ATOM 1282 CD LYS A 83 -6.658 14.148 1.865 1.00 74.31 C ATOM 1283 CE LYS A 83 -7.568 15.280 1.394 1.00 1.42 C ATOM 1284 NZ LYS A 83 -6.870 16.214 0.473 1.00 72.02 N ATOM 0 H LYS A 83 -6.210 10.658 -1.495 1.00 2.45 H new ATOM 0 HA LYS A 83 -4.417 11.712 -0.731 1.00 14.31 H new ATOM 0 HB2 LYS A 83 -5.827 11.550 1.970 1.00 73.12 H new ATOM 0 HB3 LYS A 83 -4.426 12.550 1.641 1.00 73.12 H new ATOM 0 HG2 LYS A 83 -5.719 13.832 -0.046 1.00 13.35 H new ATOM 0 HG3 LYS A 83 -7.118 12.815 0.238 1.00 13.35 H new ATOM 0 HD2 LYS A 83 -7.176 13.557 2.620 1.00 74.31 H new ATOM 0 HD3 LYS A 83 -5.772 14.569 2.341 1.00 74.31 H new ATOM 0 HE2 LYS A 83 -8.438 14.859 0.891 1.00 1.42 H new ATOM 0 HE3 LYS A 83 -7.936 15.832 2.259 1.00 1.42 H new ATOM 0 HZ1 LYS A 83 -7.464 17.052 0.313 1.00 72.02 H new ATOM 0 HZ2 LYS A 83 -5.965 16.506 0.895 1.00 72.02 H new ATOM 0 HZ3 LYS A 83 -6.691 15.738 -0.434 1.00 72.02 H new ATOM 1298 N VAL A 84 -3.776 8.964 -0.015 1.00 64.42 N ATOM 1299 CA VAL A 84 -2.842 7.907 0.406 1.00 61.34 C ATOM 1300 C VAL A 84 -1.716 7.713 -0.625 1.00 24.22 C ATOM 1301 O VAL A 84 -1.957 7.728 -1.835 1.00 42.15 O ATOM 1302 CB VAL A 84 -3.578 6.556 0.619 1.00 50.12 C ATOM 1303 CG1 VAL A 84 -2.601 5.453 1.036 1.00 63.24 C ATOM 1304 CG2 VAL A 84 -4.694 6.709 1.652 1.00 4.31 C ATOM 0 H VAL A 84 -4.355 8.714 -0.817 1.00 64.42 H new ATOM 0 HA VAL A 84 -2.407 8.228 1.352 1.00 61.34 H new ATOM 0 HB VAL A 84 -4.025 6.264 -0.331 1.00 50.12 H new ATOM 0 HG11 VAL A 84 -3.145 4.519 1.178 1.00 63.24 H new ATOM 0 HG12 VAL A 84 -1.849 5.320 0.258 1.00 63.24 H new ATOM 0 HG13 VAL A 84 -2.112 5.733 1.969 1.00 63.24 H new ATOM 0 HG21 VAL A 84 -5.198 5.752 1.788 1.00 4.31 H new ATOM 0 HG22 VAL A 84 -4.269 7.033 2.602 1.00 4.31 H new ATOM 0 HG23 VAL A 84 -5.412 7.451 1.304 1.00 4.31 H new ATOM 1314 N PHE A 85 -0.488 7.526 -0.142 1.00 34.23 N ATOM 1315 CA PHE A 85 0.676 7.344 -1.019 1.00 44.14 C ATOM 1316 C PHE A 85 1.617 6.252 -0.480 1.00 23.15 C ATOM 1317 O PHE A 85 1.962 6.245 0.699 1.00 0.34 O ATOM 1318 CB PHE A 85 1.439 8.670 -1.166 1.00 54.54 C ATOM 1319 CG PHE A 85 2.671 8.576 -2.037 1.00 70.35 C ATOM 1320 CD1 PHE A 85 2.562 8.586 -3.420 1.00 52.13 C ATOM 1321 CD2 PHE A 85 3.938 8.471 -1.471 1.00 71.20 C ATOM 1322 CE1 PHE A 85 3.686 8.498 -4.219 1.00 72.44 C ATOM 1323 CE2 PHE A 85 5.063 8.382 -2.269 1.00 11.21 C ATOM 1324 CZ PHE A 85 4.937 8.395 -3.644 1.00 33.15 C ATOM 0 H PHE A 85 -0.270 7.496 0.854 1.00 34.23 H new ATOM 0 HA PHE A 85 0.314 7.026 -1.997 1.00 44.14 H new ATOM 0 HB2 PHE A 85 0.767 9.420 -1.584 1.00 54.54 H new ATOM 0 HB3 PHE A 85 1.732 9.021 -0.176 1.00 54.54 H new ATOM 0 HD1 PHE A 85 1.587 8.664 -3.878 1.00 52.13 H new ATOM 0 HD2 PHE A 85 4.043 8.459 -0.396 1.00 71.20 H new ATOM 0 HE1 PHE A 85 3.586 8.510 -5.294 1.00 72.44 H new ATOM 0 HE2 PHE A 85 6.041 8.302 -1.817 1.00 11.21 H new ATOM 0 HZ PHE A 85 5.815 8.325 -4.268 1.00 33.15 H new ATOM 1334 N VAL A 86 2.039 5.339 -1.350 1.00 42.01 N ATOM 1335 CA VAL A 86 2.939 4.245 -0.953 1.00 22.51 C ATOM 1336 C VAL A 86 4.243 4.276 -1.768 1.00 75.01 C ATOM 1337 O VAL A 86 4.209 4.432 -2.985 1.00 62.50 O ATOM 1338 CB VAL A 86 2.257 2.864 -1.145 1.00 43.43 C ATOM 1339 CG1 VAL A 86 3.161 1.729 -0.665 1.00 12.00 C ATOM 1340 CG2 VAL A 86 0.901 2.823 -0.433 1.00 71.51 C ATOM 0 H VAL A 86 1.776 5.329 -2.335 1.00 42.01 H new ATOM 0 HA VAL A 86 3.171 4.389 0.102 1.00 22.51 H new ATOM 0 HB VAL A 86 2.085 2.722 -2.212 1.00 43.43 H new ATOM 0 HG11 VAL A 86 2.656 0.774 -0.812 1.00 12.00 H new ATOM 0 HG12 VAL A 86 4.091 1.739 -1.234 1.00 12.00 H new ATOM 0 HG13 VAL A 86 3.382 1.863 0.394 1.00 12.00 H new ATOM 0 HG21 VAL A 86 0.442 1.846 -0.581 1.00 71.51 H new ATOM 0 HG22 VAL A 86 1.044 2.998 0.633 1.00 71.51 H new ATOM 0 HG23 VAL A 86 0.251 3.596 -0.844 1.00 71.51 H new ATOM 1350 N GLU A 87 5.387 4.125 -1.099 1.00 72.12 N ATOM 1351 CA GLU A 87 6.688 4.092 -1.785 1.00 64.35 C ATOM 1352 C GLU A 87 7.466 2.803 -1.468 1.00 64.20 C ATOM 1353 O GLU A 87 7.667 2.452 -0.304 1.00 2.30 O ATOM 1354 CB GLU A 87 7.531 5.326 -1.406 1.00 62.22 C ATOM 1355 CG GLU A 87 7.715 5.513 0.097 1.00 1.24 C ATOM 1356 CD GLU A 87 8.724 6.600 0.452 1.00 54.14 C ATOM 1357 OE1 GLU A 87 8.412 7.796 0.280 1.00 33.51 O ATOM 1358 OE2 GLU A 87 9.839 6.261 0.918 1.00 4.24 O ATOM 0 H GLU A 87 5.444 4.024 -0.086 1.00 72.12 H new ATOM 0 HA GLU A 87 6.492 4.109 -2.857 1.00 64.35 H new ATOM 0 HB2 GLU A 87 8.512 5.241 -1.874 1.00 62.22 H new ATOM 0 HB3 GLU A 87 7.057 6.217 -1.818 1.00 62.22 H new ATOM 0 HG2 GLU A 87 6.753 5.760 0.546 1.00 1.24 H new ATOM 0 HG3 GLU A 87 8.039 4.569 0.536 1.00 1.24 H new ATOM 1365 N ILE A 88 7.889 2.089 -2.509 1.00 14.21 N ATOM 1366 CA ILE A 88 8.727 0.897 -2.340 1.00 65.03 C ATOM 1367 C ILE A 88 10.210 1.258 -2.498 1.00 40.32 C ATOM 1368 O ILE A 88 10.654 1.686 -3.568 1.00 62.21 O ATOM 1369 CB ILE A 88 8.351 -0.216 -3.350 1.00 71.53 C ATOM 1370 CG1 ILE A 88 6.866 -0.591 -3.196 1.00 62.32 C ATOM 1371 CG2 ILE A 88 9.248 -1.445 -3.157 1.00 42.05 C ATOM 1372 CD1 ILE A 88 6.404 -1.669 -4.151 1.00 14.45 C ATOM 0 H ILE A 88 7.667 2.312 -3.479 1.00 14.21 H new ATOM 0 HA ILE A 88 8.551 0.516 -1.334 1.00 65.03 H new ATOM 0 HB ILE A 88 8.509 0.160 -4.361 1.00 71.53 H new ATOM 0 HG12 ILE A 88 6.690 -0.925 -2.174 1.00 62.32 H new ATOM 0 HG13 ILE A 88 6.258 0.301 -3.349 1.00 62.32 H new ATOM 0 HG21 ILE A 88 8.969 -2.216 -3.875 1.00 42.05 H new ATOM 0 HG22 ILE A 88 10.289 -1.164 -3.313 1.00 42.05 H new ATOM 0 HG23 ILE A 88 9.124 -1.830 -2.145 1.00 42.05 H new ATOM 0 HD11 ILE A 88 5.348 -1.878 -3.981 1.00 14.45 H new ATOM 0 HD12 ILE A 88 6.546 -1.331 -5.177 1.00 14.45 H new ATOM 0 HD13 ILE A 88 6.985 -2.576 -3.984 1.00 14.45 H new ATOM 1384 N LYS A 89 10.976 1.078 -1.428 1.00 10.30 N ATOM 1385 CA LYS A 89 12.369 1.525 -1.389 1.00 64.21 C ATOM 1386 C LYS A 89 13.320 0.398 -0.965 1.00 22.33 C ATOM 1387 O LYS A 89 12.904 -0.598 -0.373 1.00 51.34 O ATOM 1388 CB LYS A 89 12.480 2.714 -0.427 1.00 11.44 C ATOM 1389 CG LYS A 89 12.081 2.378 1.011 1.00 71.21 C ATOM 1390 CD LYS A 89 11.693 3.623 1.806 1.00 31.53 C ATOM 1391 CE LYS A 89 12.790 4.677 1.793 1.00 64.45 C ATOM 1392 NZ LYS A 89 12.350 5.935 2.452 1.00 21.30 N ATOM 0 H LYS A 89 10.657 0.624 -0.572 1.00 10.30 H new ATOM 0 HA LYS A 89 12.666 1.828 -2.393 1.00 64.21 H new ATOM 0 HB2 LYS A 89 13.506 3.082 -0.434 1.00 11.44 H new ATOM 0 HB3 LYS A 89 11.849 3.525 -0.790 1.00 11.44 H new ATOM 0 HG2 LYS A 89 11.244 1.680 1.001 1.00 71.21 H new ATOM 0 HG3 LYS A 89 12.910 1.875 1.508 1.00 71.21 H new ATOM 0 HD2 LYS A 89 10.779 4.047 1.391 1.00 31.53 H new ATOM 0 HD3 LYS A 89 11.474 3.341 2.836 1.00 31.53 H new ATOM 0 HE2 LYS A 89 13.673 4.290 2.301 1.00 64.45 H new ATOM 0 HE3 LYS A 89 13.081 4.887 0.764 1.00 64.45 H new ATOM 0 HZ1 LYS A 89 13.068 6.673 2.306 1.00 21.30 H new ATOM 0 HZ2 LYS A 89 11.447 6.245 2.040 1.00 21.30 H new ATOM 0 HZ3 LYS A 89 12.227 5.768 3.471 1.00 21.30 H new ATOM 1406 N SER A 90 14.601 0.562 -1.275 1.00 62.21 N ATOM 1407 CA SER A 90 15.621 -0.442 -0.940 1.00 51.12 C ATOM 1408 C SER A 90 16.194 -0.223 0.464 1.00 44.25 C ATOM 1409 O SER A 90 16.275 0.908 0.949 1.00 34.31 O ATOM 1410 CB SER A 90 16.757 -0.407 -1.970 1.00 24.12 C ATOM 1411 OG SER A 90 17.856 -1.210 -1.566 1.00 42.13 O ATOM 0 H SER A 90 14.965 1.382 -1.760 1.00 62.21 H new ATOM 0 HA SER A 90 15.137 -1.418 -0.959 1.00 51.12 H new ATOM 0 HB2 SER A 90 16.386 -0.756 -2.933 1.00 24.12 H new ATOM 0 HB3 SER A 90 17.090 0.621 -2.110 1.00 24.12 H new ATOM 0 HG SER A 90 18.691 -0.800 -1.874 1.00 42.13 H new ATOM 1417 N THR A 91 16.591 -1.315 1.110 1.00 51.03 N ATOM 1418 CA THR A 91 17.207 -1.255 2.444 1.00 61.12 C ATOM 1419 C THR A 91 18.728 -1.077 2.347 1.00 71.54 C ATOM 1420 O THR A 91 19.391 -0.719 3.322 1.00 51.24 O ATOM 1421 CB THR A 91 16.910 -2.535 3.267 1.00 23.41 C ATOM 1422 OG1 THR A 91 17.497 -3.688 2.636 1.00 73.31 O ATOM 1423 CG2 THR A 91 15.407 -2.756 3.423 1.00 44.22 C ATOM 0 H THR A 91 16.499 -2.259 0.735 1.00 51.03 H new ATOM 0 HA THR A 91 16.770 -0.393 2.949 1.00 61.12 H new ATOM 0 HB THR A 91 17.349 -2.398 4.255 1.00 23.41 H new ATOM 0 HG1 THR A 91 16.973 -3.930 1.844 1.00 73.31 H new ATOM 0 HG21 THR A 91 15.231 -3.661 4.004 1.00 44.22 H new ATOM 0 HG22 THR A 91 14.965 -1.902 3.937 1.00 44.22 H new ATOM 0 HG23 THR A 91 14.951 -2.863 2.439 1.00 44.22 H new ATOM 1431 N GLN A 92 19.270 -1.325 1.157 1.00 2.42 N ATOM 1432 CA GLN A 92 20.719 -1.279 0.917 1.00 1.44 C ATOM 1433 C GLN A 92 21.119 -0.048 0.087 1.00 40.42 C ATOM 1434 O GLN A 92 20.276 0.780 -0.254 1.00 20.41 O ATOM 1435 CB GLN A 92 21.141 -2.566 0.198 1.00 3.00 C ATOM 1436 CG GLN A 92 20.961 -3.823 1.046 1.00 35.24 C ATOM 1437 CD GLN A 92 20.904 -5.092 0.216 1.00 75.24 C ATOM 1438 OE1 GLN A 92 19.828 -5.553 -0.155 1.00 13.45 O ATOM 1439 NE2 GLN A 92 22.050 -5.662 -0.089 1.00 4.04 N ATOM 0 H GLN A 92 18.722 -1.564 0.330 1.00 2.42 H new ATOM 0 HA GLN A 92 21.230 -1.200 1.876 1.00 1.44 H new ATOM 0 HB2 GLN A 92 20.559 -2.669 -0.718 1.00 3.00 H new ATOM 0 HB3 GLN A 92 22.187 -2.482 -0.096 1.00 3.00 H new ATOM 0 HG2 GLN A 92 21.784 -3.897 1.757 1.00 35.24 H new ATOM 0 HG3 GLN A 92 20.044 -3.734 1.628 1.00 35.24 H new ATOM 0 HE21 GLN A 92 22.926 -5.252 0.236 1.00 4.04 H new ATOM 0 HE22 GLN A 92 22.063 -6.514 -0.650 1.00 4.04 H new ATOM 1448 N LYS A 93 22.410 0.076 -0.222 1.00 73.34 N ATOM 1449 CA LYS A 93 22.907 1.184 -1.050 1.00 62.25 C ATOM 1450 C LYS A 93 22.734 0.897 -2.549 1.00 65.32 C ATOM 1451 O LYS A 93 23.203 -0.126 -3.056 1.00 33.32 O ATOM 1452 CB LYS A 93 24.384 1.457 -0.742 1.00 51.00 C ATOM 1453 CG LYS A 93 24.631 1.992 0.665 1.00 53.00 C ATOM 1454 CD LYS A 93 26.120 2.185 0.932 1.00 55.42 C ATOM 1455 CE LYS A 93 26.372 2.791 2.307 1.00 40.11 C ATOM 1456 NZ LYS A 93 27.823 2.885 2.620 1.00 42.23 N ATOM 0 H LYS A 93 23.133 -0.574 0.086 1.00 73.34 H new ATOM 0 HA LYS A 93 22.315 2.066 -0.805 1.00 62.25 H new ATOM 0 HB2 LYS A 93 24.950 0.535 -0.874 1.00 51.00 H new ATOM 0 HB3 LYS A 93 24.770 2.174 -1.466 1.00 51.00 H new ATOM 0 HG2 LYS A 93 24.111 2.941 0.792 1.00 53.00 H new ATOM 0 HG3 LYS A 93 24.215 1.300 1.397 1.00 53.00 H new ATOM 0 HD2 LYS A 93 26.630 1.225 0.858 1.00 55.42 H new ATOM 0 HD3 LYS A 93 26.546 2.832 0.165 1.00 55.42 H new ATOM 0 HE2 LYS A 93 25.927 3.785 2.352 1.00 40.11 H new ATOM 0 HE3 LYS A 93 25.876 2.185 3.066 1.00 40.11 H new ATOM 0 HZ1 LYS A 93 27.948 3.303 3.564 1.00 42.23 H new ATOM 0 HZ2 LYS A 93 28.244 1.934 2.603 1.00 42.23 H new ATOM 0 HZ3 LYS A 93 28.293 3.484 1.911 1.00 42.23 H new ATOM 1470 N ASP A 94 22.072 1.812 -3.255 1.00 22.44 N ATOM 1471 CA ASP A 94 21.823 1.661 -4.694 1.00 42.13 C ATOM 1472 C ASP A 94 21.450 3.006 -5.345 1.00 10.31 C ATOM 1473 O ASP A 94 21.246 4.009 -4.657 1.00 0.10 O ATOM 1474 CB ASP A 94 20.718 0.622 -4.931 1.00 63.00 C ATOM 1475 CG ASP A 94 19.415 1.004 -4.257 1.00 24.13 C ATOM 1476 OD1 ASP A 94 19.334 0.926 -3.016 1.00 21.20 O ATOM 1477 OD2 ASP A 94 18.474 1.417 -4.956 1.00 32.01 O ATOM 0 H ASP A 94 21.695 2.671 -2.855 1.00 22.44 H new ATOM 0 HA ASP A 94 22.744 1.313 -5.162 1.00 42.13 H new ATOM 0 HB2 ASP A 94 20.551 0.510 -6.002 1.00 63.00 H new ATOM 0 HB3 ASP A 94 21.047 -0.347 -4.557 1.00 63.00 H new ATOM 1482 N SER A 95 21.355 3.019 -6.673 1.00 43.55 N ATOM 1483 CA SER A 95 21.098 4.258 -7.430 1.00 70.13 C ATOM 1484 C SER A 95 19.593 4.527 -7.618 1.00 13.44 C ATOM 1485 O SER A 95 18.917 3.823 -8.373 1.00 24.23 O ATOM 1486 CB SER A 95 21.778 4.183 -8.806 1.00 70.33 C ATOM 1487 OG SER A 95 21.295 3.080 -9.561 1.00 64.13 O ATOM 0 H SER A 95 21.451 2.187 -7.255 1.00 43.55 H new ATOM 0 HA SER A 95 21.513 5.081 -6.849 1.00 70.13 H new ATOM 0 HB2 SER A 95 21.598 5.108 -9.354 1.00 70.33 H new ATOM 0 HB3 SER A 95 22.857 4.094 -8.677 1.00 70.33 H new ATOM 0 HG SER A 95 20.341 2.952 -9.379 1.00 64.13 H new ATOM 1493 N LYS A 96 19.077 5.553 -6.940 1.00 10.32 N ATOM 1494 CA LYS A 96 17.668 5.966 -7.084 1.00 0.41 C ATOM 1495 C LYS A 96 17.520 7.493 -7.052 1.00 71.13 C ATOM 1496 O LYS A 96 18.467 8.218 -6.734 1.00 32.34 O ATOM 1497 CB LYS A 96 16.797 5.366 -5.969 1.00 14.25 C ATOM 1498 CG LYS A 96 16.685 3.847 -6.002 1.00 64.21 C ATOM 1499 CD LYS A 96 15.788 3.319 -4.883 1.00 24.21 C ATOM 1500 CE LYS A 96 16.276 3.757 -3.505 1.00 43.11 C ATOM 1501 NZ LYS A 96 17.694 3.382 -3.268 1.00 34.43 N ATOM 0 H LYS A 96 19.611 6.120 -6.281 1.00 10.32 H new ATOM 0 HA LYS A 96 17.333 5.593 -8.052 1.00 0.41 H new ATOM 0 HB2 LYS A 96 17.206 5.666 -5.004 1.00 14.25 H new ATOM 0 HB3 LYS A 96 15.796 5.793 -6.038 1.00 14.25 H new ATOM 0 HG2 LYS A 96 16.286 3.533 -6.966 1.00 64.21 H new ATOM 0 HG3 LYS A 96 17.678 3.407 -5.910 1.00 64.21 H new ATOM 0 HD2 LYS A 96 14.769 3.675 -5.037 1.00 24.21 H new ATOM 0 HD3 LYS A 96 15.756 2.230 -4.927 1.00 24.21 H new ATOM 0 HE2 LYS A 96 16.166 4.837 -3.409 1.00 43.11 H new ATOM 0 HE3 LYS A 96 15.649 3.303 -2.738 1.00 43.11 H new ATOM 0 HZ1 LYS A 96 17.748 2.713 -2.473 1.00 34.43 H new ATOM 0 HZ2 LYS A 96 18.083 2.936 -4.123 1.00 34.43 H new ATOM 0 HZ3 LYS A 96 18.245 4.234 -3.041 1.00 34.43 H new ATOM 1515 N ASP A 97 16.318 7.972 -7.378 1.00 14.41 N ATOM 1516 CA ASP A 97 15.990 9.399 -7.297 1.00 53.14 C ATOM 1517 C ASP A 97 15.198 9.712 -6.013 1.00 54.10 C ATOM 1518 O ASP A 97 14.049 9.282 -5.866 1.00 73.54 O ATOM 1519 CB ASP A 97 15.168 9.824 -8.521 1.00 55.22 C ATOM 1520 CG ASP A 97 15.879 9.519 -9.825 1.00 42.52 C ATOM 1521 OD1 ASP A 97 15.693 8.410 -10.364 1.00 75.12 O ATOM 1522 OD2 ASP A 97 16.628 10.387 -10.318 1.00 52.11 O ATOM 0 H ASP A 97 15.548 7.387 -7.704 1.00 14.41 H new ATOM 0 HA ASP A 97 16.926 9.957 -7.275 1.00 53.14 H new ATOM 0 HB2 ASP A 97 14.206 9.312 -8.506 1.00 55.22 H new ATOM 0 HB3 ASP A 97 14.961 10.893 -8.464 1.00 55.22 H new ATOM 1527 N PRO A 98 15.800 10.456 -5.058 1.00 41.40 N ATOM 1528 CA PRO A 98 15.118 10.856 -3.811 1.00 70.11 C ATOM 1529 C PRO A 98 13.973 11.855 -4.055 1.00 34.42 C ATOM 1530 O PRO A 98 13.076 12.009 -3.226 1.00 24.31 O ATOM 1531 CB PRO A 98 16.237 11.511 -2.975 1.00 51.31 C ATOM 1532 CG PRO A 98 17.515 11.110 -3.639 1.00 54.25 C ATOM 1533 CD PRO A 98 17.187 10.950 -5.097 1.00 74.21 C ATOM 0 HA PRO A 98 14.647 10.004 -3.321 1.00 70.11 H new ATOM 0 HB2 PRO A 98 16.128 12.595 -2.954 1.00 51.31 H new ATOM 0 HB3 PRO A 98 16.207 11.168 -1.941 1.00 51.31 H new ATOM 0 HG2 PRO A 98 18.286 11.867 -3.492 1.00 54.25 H new ATOM 0 HG3 PRO A 98 17.898 10.179 -3.220 1.00 54.25 H new ATOM 0 HD2 PRO A 98 17.267 11.893 -5.637 1.00 74.21 H new ATOM 0 HD3 PRO A 98 17.856 10.244 -5.589 1.00 74.21 H new ATOM 1541 N ASP A 99 14.018 12.525 -5.204 1.00 23.15 N ATOM 1542 CA ASP A 99 13.014 13.528 -5.570 1.00 43.23 C ATOM 1543 C ASP A 99 12.338 13.157 -6.903 1.00 62.03 C ATOM 1544 O ASP A 99 13.017 12.829 -7.877 1.00 21.01 O ATOM 1545 CB ASP A 99 13.689 14.899 -5.680 1.00 1.54 C ATOM 1546 CG ASP A 99 12.697 16.033 -5.864 1.00 4.33 C ATOM 1547 OD1 ASP A 99 12.340 16.340 -7.018 1.00 64.23 O ATOM 1548 OD2 ASP A 99 12.268 16.623 -4.854 1.00 43.01 O ATOM 0 H ASP A 99 14.746 12.391 -5.906 1.00 23.15 H new ATOM 0 HA ASP A 99 12.244 13.562 -4.799 1.00 43.23 H new ATOM 0 HB2 ASP A 99 14.279 15.081 -4.782 1.00 1.54 H new ATOM 0 HB3 ASP A 99 14.383 14.890 -6.520 1.00 1.54 H new ATOM 1553 N THR A 100 11.005 13.208 -6.948 1.00 72.45 N ATOM 1554 CA THR A 100 10.261 12.857 -8.172 1.00 32.13 C ATOM 1555 C THR A 100 8.905 13.569 -8.248 1.00 24.01 C ATOM 1556 O THR A 100 8.070 13.438 -7.350 1.00 63.42 O ATOM 1557 CB THR A 100 10.016 11.328 -8.285 1.00 21.21 C ATOM 1558 OG1 THR A 100 11.260 10.619 -8.397 1.00 43.13 O ATOM 1559 CG2 THR A 100 9.138 10.996 -9.490 1.00 62.10 C ATOM 0 H THR A 100 10.418 13.486 -6.162 1.00 72.45 H new ATOM 0 HA THR A 100 10.889 13.187 -8.999 1.00 32.13 H new ATOM 0 HB THR A 100 9.502 11.015 -7.376 1.00 21.21 H new ATOM 0 HG1 THR A 100 12.003 11.258 -8.389 1.00 43.13 H new ATOM 0 HG21 THR A 100 8.984 9.918 -9.542 1.00 62.10 H new ATOM 0 HG22 THR A 100 8.175 11.495 -9.387 1.00 62.10 H new ATOM 0 HG23 THR A 100 9.628 11.337 -10.402 1.00 62.10 H new ATOM 1567 N ASP A 101 8.695 14.315 -9.329 1.00 43.22 N ATOM 1568 CA ASP A 101 7.403 14.941 -9.612 1.00 11.33 C ATOM 1569 C ASP A 101 7.200 15.112 -11.124 1.00 34.51 C ATOM 1570 O ASP A 101 8.120 15.506 -11.844 1.00 13.10 O ATOM 1571 CB ASP A 101 7.293 16.302 -8.909 1.00 44.42 C ATOM 1572 CG ASP A 101 8.356 17.283 -9.373 1.00 13.22 C ATOM 1573 OD1 ASP A 101 8.123 17.998 -10.372 1.00 64.32 O ATOM 1574 OD2 ASP A 101 9.431 17.339 -8.748 1.00 10.13 O ATOM 0 H ASP A 101 9.410 14.503 -10.031 1.00 43.22 H new ATOM 0 HA ASP A 101 6.622 14.285 -9.228 1.00 11.33 H new ATOM 0 HB2 ASP A 101 6.306 16.725 -9.096 1.00 44.42 H new ATOM 0 HB3 ASP A 101 7.380 16.159 -7.832 1.00 44.42 H new ATOM 1579 N LEU A 102 6.003 14.792 -11.601 1.00 23.03 N ATOM 1580 CA LEU A 102 5.651 15.000 -13.009 1.00 5.20 C ATOM 1581 C LEU A 102 4.137 15.192 -13.176 1.00 63.42 C ATOM 1582 O LEU A 102 3.395 14.244 -13.450 1.00 45.22 O ATOM 1583 CB LEU A 102 6.143 13.823 -13.868 1.00 11.55 C ATOM 1584 CG LEU A 102 5.900 13.955 -15.385 1.00 74.10 C ATOM 1585 CD1 LEU A 102 6.638 15.170 -15.949 1.00 54.43 C ATOM 1586 CD2 LEU A 102 6.321 12.678 -16.113 1.00 30.31 C ATOM 0 H LEU A 102 5.256 14.387 -11.037 1.00 23.03 H new ATOM 0 HA LEU A 102 6.146 15.909 -13.350 1.00 5.20 H new ATOM 0 HB2 LEU A 102 7.212 13.696 -13.700 1.00 11.55 H new ATOM 0 HB3 LEU A 102 5.655 12.913 -13.518 1.00 11.55 H new ATOM 0 HG LEU A 102 4.832 14.102 -15.547 1.00 74.10 H new ATOM 0 HD11 LEU A 102 6.452 15.243 -17.021 1.00 54.43 H new ATOM 0 HD12 LEU A 102 6.280 16.074 -15.456 1.00 54.43 H new ATOM 0 HD13 LEU A 102 7.708 15.060 -15.773 1.00 54.43 H new ATOM 0 HD21 LEU A 102 6.141 12.792 -17.182 1.00 30.31 H new ATOM 0 HD22 LEU A 102 7.382 12.494 -15.941 1.00 30.31 H new ATOM 0 HD23 LEU A 102 5.741 11.836 -15.736 1.00 30.31 H new ATOM 1598 N ILE A 103 3.674 16.420 -12.972 1.00 13.30 N ATOM 1599 CA ILE A 103 2.259 16.756 -13.167 1.00 30.44 C ATOM 1600 C ILE A 103 1.979 17.077 -14.644 1.00 14.03 C ATOM 1601 O ILE A 103 2.362 18.132 -15.146 1.00 24.43 O ATOM 1602 CB ILE A 103 1.835 17.956 -12.275 1.00 15.42 C ATOM 1603 CG1 ILE A 103 2.150 17.661 -10.796 1.00 33.20 C ATOM 1604 CG2 ILE A 103 0.349 18.275 -12.458 1.00 70.31 C ATOM 1605 CD1 ILE A 103 1.802 18.795 -9.852 1.00 75.54 C ATOM 0 H ILE A 103 4.254 17.203 -12.671 1.00 13.30 H new ATOM 0 HA ILE A 103 1.670 15.887 -12.873 1.00 30.44 H new ATOM 0 HB ILE A 103 2.407 18.831 -12.584 1.00 15.42 H new ATOM 0 HG12 ILE A 103 1.605 16.768 -10.491 1.00 33.20 H new ATOM 0 HG13 ILE A 103 3.212 17.435 -10.700 1.00 33.20 H new ATOM 0 HG21 ILE A 103 0.077 19.118 -11.823 1.00 70.31 H new ATOM 0 HG22 ILE A 103 0.157 18.529 -13.501 1.00 70.31 H new ATOM 0 HG23 ILE A 103 -0.247 17.405 -12.181 1.00 70.31 H new ATOM 0 HD11 ILE A 103 2.054 18.509 -8.831 1.00 75.54 H new ATOM 0 HD12 ILE A 103 2.367 19.685 -10.129 1.00 75.54 H new ATOM 0 HD13 ILE A 103 0.735 19.008 -9.917 1.00 75.54 H new ATOM 1617 N VAL A 104 1.324 16.149 -15.341 1.00 11.13 N ATOM 1618 CA VAL A 104 1.101 16.277 -16.786 1.00 51.42 C ATOM 1619 C VAL A 104 -0.087 17.202 -17.126 1.00 35.11 C ATOM 1620 O VAL A 104 -1.123 17.181 -16.450 1.00 24.32 O ATOM 1621 CB VAL A 104 0.874 14.888 -17.440 1.00 41.02 C ATOM 1622 CG1 VAL A 104 2.111 14.002 -17.272 1.00 43.42 C ATOM 1623 CG2 VAL A 104 -0.368 14.203 -16.863 1.00 3.52 C ATOM 0 H VAL A 104 0.937 15.299 -14.931 1.00 11.13 H new ATOM 0 HA VAL A 104 2.005 16.730 -17.192 1.00 51.42 H new ATOM 0 HB VAL A 104 0.706 15.042 -18.506 1.00 41.02 H new ATOM 0 HG11 VAL A 104 1.931 13.033 -17.738 1.00 43.42 H new ATOM 0 HG12 VAL A 104 2.968 14.479 -17.748 1.00 43.42 H new ATOM 0 HG13 VAL A 104 2.317 13.862 -16.211 1.00 43.42 H new ATOM 0 HG21 VAL A 104 -0.502 13.232 -17.340 1.00 3.52 H new ATOM 0 HG22 VAL A 104 -0.242 14.066 -15.789 1.00 3.52 H new ATOM 0 HG23 VAL A 104 -1.245 14.823 -17.049 1.00 3.52 H new ATOM 1633 N PRO A 105 0.056 18.039 -18.177 1.00 14.12 N ATOM 1634 CA PRO A 105 -1.038 18.901 -18.666 1.00 70.20 C ATOM 1635 C PRO A 105 -2.247 18.086 -19.162 1.00 31.05 C ATOM 1636 O PRO A 105 -2.091 16.996 -19.726 1.00 15.02 O ATOM 1637 CB PRO A 105 -0.394 19.681 -19.828 1.00 22.33 C ATOM 1638 CG PRO A 105 1.077 19.577 -19.596 1.00 73.25 C ATOM 1639 CD PRO A 105 1.294 18.235 -18.953 1.00 11.21 C ATOM 0 HA PRO A 105 -1.433 19.542 -17.878 1.00 70.20 H new ATOM 0 HB2 PRO A 105 -0.673 19.255 -20.792 1.00 22.33 H new ATOM 0 HB3 PRO A 105 -0.720 20.721 -19.834 1.00 22.33 H new ATOM 0 HG2 PRO A 105 1.628 19.656 -20.533 1.00 73.25 H new ATOM 0 HG3 PRO A 105 1.429 20.382 -18.951 1.00 73.25 H new ATOM 0 HD2 PRO A 105 1.435 17.449 -19.695 1.00 11.21 H new ATOM 0 HD3 PRO A 105 2.177 18.231 -18.314 1.00 11.21 H new ATOM 1647 N ASN A 106 -3.450 18.615 -18.965 1.00 72.45 N ATOM 1648 CA ASN A 106 -4.673 17.888 -19.317 1.00 34.32 C ATOM 1649 C ASN A 106 -5.820 18.824 -19.737 1.00 1.42 C ATOM 1650 O ASN A 106 -5.762 20.040 -19.544 1.00 60.03 O ATOM 1651 CB ASN A 106 -5.107 17.001 -18.141 1.00 41.25 C ATOM 1652 CG ASN A 106 -5.140 17.752 -16.825 1.00 73.14 C ATOM 1653 OD1 ASN A 106 -6.156 18.323 -16.440 1.00 45.13 O ATOM 1654 ND2 ASN A 106 -4.022 17.768 -16.128 1.00 3.03 N ATOM 0 H ASN A 106 -3.608 19.540 -18.566 1.00 72.45 H new ATOM 0 HA ASN A 106 -4.444 17.266 -20.183 1.00 34.32 H new ATOM 0 HB2 ASN A 106 -6.096 16.591 -18.346 1.00 41.25 H new ATOM 0 HB3 ASN A 106 -4.423 16.157 -18.056 1.00 41.25 H new ATOM 0 HD21 ASN A 106 -3.983 18.266 -15.239 1.00 3.03 H new ATOM 0 HD22 ASN A 106 -3.196 17.283 -16.478 1.00 3.03 H new ATOM 1661 N LEU A 107 -6.857 18.228 -20.321 1.00 21.41 N ATOM 1662 CA LEU A 107 -8.031 18.962 -20.807 1.00 43.25 C ATOM 1663 C LEU A 107 -8.903 19.486 -19.652 1.00 35.42 C ATOM 1664 O LEU A 107 -9.238 18.747 -18.726 1.00 52.44 O ATOM 1665 CB LEU A 107 -8.844 18.039 -21.743 1.00 41.11 C ATOM 1666 CG LEU A 107 -10.220 18.558 -22.224 1.00 4.13 C ATOM 1667 CD1 LEU A 107 -10.546 18.005 -23.610 1.00 44.54 C ATOM 1668 CD2 LEU A 107 -11.332 18.170 -21.245 1.00 54.41 C ATOM 0 H LEU A 107 -6.910 17.221 -20.473 1.00 21.41 H new ATOM 0 HA LEU A 107 -7.692 19.839 -21.359 1.00 43.25 H new ATOM 0 HB2 LEU A 107 -8.236 17.829 -22.623 1.00 41.11 H new ATOM 0 HB3 LEU A 107 -9.001 17.090 -21.230 1.00 41.11 H new ATOM 0 HG LEU A 107 -10.163 19.645 -22.273 1.00 4.13 H new ATOM 0 HD11 LEU A 107 -11.517 18.380 -23.932 1.00 44.54 H new ATOM 0 HD12 LEU A 107 -9.781 18.323 -24.318 1.00 44.54 H new ATOM 0 HD13 LEU A 107 -10.573 16.916 -23.570 1.00 44.54 H new ATOM 0 HD21 LEU A 107 -12.287 18.549 -21.610 1.00 54.41 H new ATOM 0 HD22 LEU A 107 -11.380 17.084 -21.161 1.00 54.41 H new ATOM 0 HD23 LEU A 107 -11.121 18.601 -20.266 1.00 54.41 H new ATOM 1680 N GLU A 108 -9.260 20.768 -19.718 1.00 1.32 N ATOM 1681 CA GLU A 108 -10.170 21.371 -18.738 1.00 24.50 C ATOM 1682 C GLU A 108 -11.610 20.860 -18.927 1.00 34.34 C ATOM 1683 O GLU A 108 -12.202 21.006 -19.999 1.00 11.25 O ATOM 1684 CB GLU A 108 -10.140 22.906 -18.854 1.00 32.24 C ATOM 1685 CG GLU A 108 -10.436 23.431 -20.259 1.00 61.23 C ATOM 1686 CD GLU A 108 -10.630 24.938 -20.296 1.00 50.32 C ATOM 1687 OE1 GLU A 108 -9.639 25.672 -20.467 1.00 11.51 O ATOM 1688 OE2 GLU A 108 -11.784 25.395 -20.158 1.00 63.14 O ATOM 0 H GLU A 108 -8.934 21.411 -20.439 1.00 1.32 H new ATOM 0 HA GLU A 108 -9.831 21.079 -17.744 1.00 24.50 H new ATOM 0 HB2 GLU A 108 -10.868 23.327 -18.160 1.00 32.24 H new ATOM 0 HB3 GLU A 108 -9.159 23.264 -18.543 1.00 32.24 H new ATOM 0 HG2 GLU A 108 -9.616 23.158 -20.924 1.00 61.23 H new ATOM 0 HG3 GLU A 108 -11.333 22.944 -20.642 1.00 61.23 H new ATOM 1695 N HIS A 109 -12.171 20.255 -17.880 1.00 51.24 N ATOM 1696 CA HIS A 109 -13.534 19.713 -17.946 1.00 0.33 C ATOM 1697 C HIS A 109 -14.585 20.782 -17.597 1.00 63.41 C ATOM 1698 O HIS A 109 -14.784 21.126 -16.432 1.00 72.11 O ATOM 1699 CB HIS A 109 -13.678 18.479 -17.033 1.00 11.35 C ATOM 1700 CG HIS A 109 -13.126 18.652 -15.642 1.00 44.12 C ATOM 1701 ND1 HIS A 109 -11.929 18.103 -15.238 1.00 35.12 N ATOM 1702 CD2 HIS A 109 -13.621 19.296 -14.559 1.00 74.02 C ATOM 1703 CE1 HIS A 109 -11.710 18.399 -13.974 1.00 54.14 C ATOM 1704 NE2 HIS A 109 -12.720 19.124 -13.537 1.00 21.54 N ATOM 0 H HIS A 109 -11.709 20.127 -16.980 1.00 51.24 H new ATOM 0 HA HIS A 109 -13.715 19.400 -18.974 1.00 0.33 H new ATOM 0 HB2 HIS A 109 -14.734 18.221 -16.960 1.00 11.35 H new ATOM 0 HB3 HIS A 109 -13.176 17.635 -17.505 1.00 11.35 H new ATOM 0 HD2 HIS A 109 -14.551 19.843 -14.508 1.00 74.02 H new ATOM 0 HE1 HIS A 109 -10.850 18.099 -13.394 1.00 54.14 H new ATOM 0 HE2 HIS A 109 -12.817 19.497 -12.593 1.00 21.54 H new ATOM 1713 N HIS A 110 -15.246 21.320 -18.622 1.00 23.15 N ATOM 1714 CA HIS A 110 -16.317 22.309 -18.428 1.00 13.20 C ATOM 1715 C HIS A 110 -17.634 21.840 -19.068 1.00 25.32 C ATOM 1716 O HIS A 110 -17.635 21.200 -20.123 1.00 31.45 O ATOM 1717 CB HIS A 110 -15.899 23.686 -18.972 1.00 12.30 C ATOM 1718 CG HIS A 110 -15.376 23.668 -20.378 1.00 24.52 C ATOM 1719 ND1 HIS A 110 -14.052 23.887 -20.686 1.00 24.12 N ATOM 1720 CD2 HIS A 110 -16.005 23.476 -21.562 1.00 1.34 C ATOM 1721 CE1 HIS A 110 -13.888 23.828 -21.991 1.00 31.24 C ATOM 1722 NE2 HIS A 110 -15.055 23.582 -22.547 1.00 63.32 N ATOM 0 H HIS A 110 -15.061 21.090 -19.598 1.00 23.15 H new ATOM 0 HA HIS A 110 -16.487 22.407 -17.356 1.00 13.20 H new ATOM 0 HB2 HIS A 110 -16.757 24.356 -18.926 1.00 12.30 H new ATOM 0 HB3 HIS A 110 -15.133 24.103 -18.318 1.00 12.30 H new ATOM 0 HD1 HIS A 110 -13.312 24.067 -20.007 1.00 24.12 H new ATOM 0 HD2 HIS A 110 -17.057 23.277 -21.704 1.00 1.34 H new ATOM 0 HE1 HIS A 110 -12.954 23.959 -22.516 1.00 31.24 H new ATOM 1731 N HIS A 111 -18.750 22.185 -18.430 1.00 61.51 N ATOM 1732 CA HIS A 111 -20.071 21.679 -18.826 1.00 25.34 C ATOM 1733 C HIS A 111 -20.729 22.555 -19.904 1.00 10.42 C ATOM 1734 O HIS A 111 -20.671 23.785 -19.849 1.00 33.13 O ATOM 1735 CB HIS A 111 -20.983 21.600 -17.597 1.00 43.33 C ATOM 1736 CG HIS A 111 -20.426 20.762 -16.488 1.00 62.45 C ATOM 1737 ND1 HIS A 111 -20.861 19.484 -16.218 1.00 41.41 N ATOM 1738 CD2 HIS A 111 -19.462 21.025 -15.573 1.00 72.14 C ATOM 1739 CE1 HIS A 111 -20.197 19.002 -15.189 1.00 62.43 C ATOM 1740 NE2 HIS A 111 -19.341 19.914 -14.782 1.00 43.04 N ATOM 0 H HIS A 111 -18.770 22.818 -17.630 1.00 61.51 H new ATOM 0 HA HIS A 111 -19.928 20.686 -19.252 1.00 25.34 H new ATOM 0 HB2 HIS A 111 -21.163 22.608 -17.224 1.00 43.33 H new ATOM 0 HB3 HIS A 111 -21.949 21.194 -17.898 1.00 43.33 H new ATOM 0 HD2 HIS A 111 -18.895 21.940 -15.484 1.00 72.14 H new ATOM 0 HE1 HIS A 111 -20.332 18.023 -14.753 1.00 62.43 H new ATOM 0 HE2 HIS A 111 -18.691 19.810 -14.002 1.00 43.04 H new ATOM 1749 N HIS A 112 -21.356 21.910 -20.884 1.00 73.23 N ATOM 1750 CA HIS A 112 -22.077 22.612 -21.954 1.00 21.15 C ATOM 1751 C HIS A 112 -23.574 22.746 -21.621 1.00 15.24 C ATOM 1752 O HIS A 112 -24.223 21.774 -21.244 1.00 12.41 O ATOM 1753 CB HIS A 112 -21.916 21.862 -23.285 1.00 12.23 C ATOM 1754 CG HIS A 112 -20.508 21.821 -23.798 1.00 62.25 C ATOM 1755 ND1 HIS A 112 -20.134 22.376 -25.001 1.00 63.23 N ATOM 1756 CD2 HIS A 112 -19.383 21.276 -23.275 1.00 40.12 C ATOM 1757 CE1 HIS A 112 -18.848 22.174 -25.199 1.00 32.43 C ATOM 1758 NE2 HIS A 112 -18.368 21.512 -24.166 1.00 2.40 N ATOM 0 H HIS A 112 -21.382 20.893 -20.963 1.00 73.23 H new ATOM 0 HA HIS A 112 -21.649 23.611 -22.043 1.00 21.15 H new ATOM 0 HB2 HIS A 112 -22.276 20.841 -23.160 1.00 12.23 H new ATOM 0 HB3 HIS A 112 -22.551 22.334 -24.035 1.00 12.23 H new ATOM 0 HD2 HIS A 112 -19.301 20.754 -22.333 1.00 40.12 H new ATOM 0 HE1 HIS A 112 -18.283 22.496 -26.061 1.00 32.43 H new ATOM 0 HE2 HIS A 112 -17.397 21.222 -24.048 1.00 2.40 H new ATOM 1767 N HIS A 113 -24.110 23.958 -21.754 1.00 14.21 N ATOM 1768 CA HIS A 113 -25.547 24.204 -21.554 1.00 72.21 C ATOM 1769 C HIS A 113 -26.259 24.386 -22.902 1.00 22.35 C ATOM 1770 O HIS A 113 -27.360 23.868 -23.117 1.00 62.35 O ATOM 1771 CB HIS A 113 -25.758 25.442 -20.672 1.00 2.35 C ATOM 1772 CG HIS A 113 -25.226 25.283 -19.278 1.00 72.22 C ATOM 1773 ND1 HIS A 113 -26.035 25.217 -18.163 1.00 40.45 N ATOM 1774 CD2 HIS A 113 -23.954 25.187 -18.821 1.00 32.41 C ATOM 1775 CE1 HIS A 113 -25.287 25.089 -17.086 1.00 11.34 C ATOM 1776 NE2 HIS A 113 -24.022 25.067 -17.456 1.00 31.32 N ATOM 0 H HIS A 113 -23.574 24.790 -22.000 1.00 14.21 H new ATOM 0 HA HIS A 113 -25.976 23.337 -21.052 1.00 72.21 H new ATOM 0 HB2 HIS A 113 -25.274 26.299 -21.141 1.00 2.35 H new ATOM 0 HB3 HIS A 113 -26.824 25.665 -20.622 1.00 2.35 H new ATOM 0 HD2 HIS A 113 -23.055 25.202 -19.419 1.00 32.41 H new ATOM 0 HE1 HIS A 113 -25.649 25.015 -16.071 1.00 11.34 H new ATOM 0 HE2 HIS A 113 -23.223 24.976 -16.829 1.00 31.32 H new ATOM 1785 N HIS A 114 -25.617 25.127 -23.802 1.00 53.34 N ATOM 1786 CA HIS A 114 -26.130 25.342 -25.160 1.00 51.23 C ATOM 1787 C HIS A 114 -25.024 25.903 -26.080 1.00 32.13 C ATOM 1788 O HIS A 114 -24.320 25.103 -26.735 1.00 38.70 O ATOM 1789 CB HIS A 114 -27.347 26.290 -25.137 1.00 51.23 C ATOM 1790 CG HIS A 114 -27.974 26.501 -26.486 1.00 34.54 C ATOM 1791 ND1 HIS A 114 -27.975 27.715 -27.140 1.00 13.44 N ATOM 1792 CD2 HIS A 114 -28.626 25.640 -27.304 1.00 13.15 C ATOM 1793 CE1 HIS A 114 -28.594 27.591 -28.298 1.00 22.13 C ATOM 1794 NE2 HIS A 114 -28.999 26.343 -28.423 1.00 23.14 N ATOM 1795 OXT HIS A 114 -24.861 27.142 -26.142 1.00 38.70 O ATOM 0 H HIS A 114 -24.730 25.595 -23.615 1.00 53.34 H new ATOM 0 HA HIS A 114 -26.451 24.380 -25.559 1.00 51.23 H new ATOM 0 HB2 HIS A 114 -28.097 25.887 -24.456 1.00 51.23 H new ATOM 0 HB3 HIS A 114 -27.037 27.255 -24.735 1.00 51.23 H new ATOM 0 HD2 HIS A 114 -28.817 24.595 -27.112 1.00 13.15 H new ATOM 0 HE1 HIS A 114 -28.744 28.379 -29.021 1.00 22.13 H new ATOM 0 HE2 HIS A 114 -29.507 25.961 -29.221 1.00 23.14 H new TER 1804 HIS A 114