USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 712 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 25 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 21:sc= 0.408 USER MOD Single : A 7 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 102:sc= 1.2 USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= -0.235 (180deg=-0.278) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.0453 (180deg=-0.478) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.31 F(o=-2.1,f=-1.3) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.672 K(o=-0.67,f=-3.8!) USER MOD Single : A 34 HIS : no HE2:sc= -0.34 K(o=-0.34,f=-4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -2.11 X(o=-2.1,f=-2.5!) USER MOD Single : A 44 LYS NZ :NH3+ -133:sc= -0.285 (180deg=-1.25!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 49 SER OG : rot 53:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.0187 (180deg=-0.191) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 84:sc= 0.376 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 GLN : amide:sc=-0.000964 X(o=-0.00096,f=-0.051) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 127 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.270 -7.450 8.263 1.00 4.32 N ATOM 2 CA THR A 5 -9.149 -6.686 7.747 1.00 42.30 C ATOM 3 C THR A 5 -8.472 -7.425 6.597 1.00 0.11 C ATOM 4 O THR A 5 -7.932 -6.805 5.681 1.00 72.20 O ATOM 5 CB THR A 5 -8.137 -6.416 8.861 1.00 72.00 C ATOM 6 OG1 THR A 5 -8.799 -6.133 10.082 1.00 62.10 O ATOM 7 CG2 THR A 5 -7.211 -5.258 8.561 1.00 61.10 C ATOM 0 HA THR A 5 -9.529 -5.736 7.371 1.00 42.30 H new ATOM 0 HB THR A 5 -7.541 -7.325 8.936 1.00 72.00 H new ATOM 0 HG1 THR A 5 -9.715 -6.480 10.046 1.00 62.10 H new ATOM 0 HG21 THR A 5 -6.519 -5.121 9.392 1.00 61.10 H new ATOM 0 HG22 THR A 5 -6.649 -5.468 7.651 1.00 61.10 H new ATOM 0 HG23 THR A 5 -7.797 -4.349 8.424 1.00 61.10 H new ATOM 15 N LEU A 6 -8.506 -8.752 6.652 1.00 22.40 N ATOM 16 CA LEU A 6 -7.895 -9.576 5.615 1.00 23.20 C ATOM 17 C LEU A 6 -8.528 -9.296 4.256 1.00 1.11 C ATOM 18 O LEU A 6 -7.831 -9.005 3.283 1.00 44.20 O ATOM 19 CB LEU A 6 -8.038 -11.050 5.962 1.00 61.10 C ATOM 20 CG LEU A 6 -6.925 -11.620 6.844 1.00 61.30 C ATOM 21 CD1 LEU A 6 -5.609 -11.660 6.084 1.00 33.40 C ATOM 22 CD2 LEU A 6 -6.783 -10.800 8.117 1.00 1.44 C ATOM 0 H LEU A 6 -8.950 -9.280 7.403 1.00 22.40 H new ATOM 0 HA LEU A 6 -6.836 -9.324 5.560 1.00 23.20 H new ATOM 0 HB2 LEU A 6 -8.992 -11.197 6.468 1.00 61.10 H new ATOM 0 HB3 LEU A 6 -8.076 -11.623 5.036 1.00 61.10 H new ATOM 0 HG LEU A 6 -7.192 -12.640 7.120 1.00 61.30 H new ATOM 0 HD11 LEU A 6 -4.830 -12.068 6.727 1.00 33.40 H new ATOM 0 HD12 LEU A 6 -5.718 -12.290 5.201 1.00 33.40 H new ATOM 0 HD13 LEU A 6 -5.335 -10.650 5.778 1.00 33.40 H new ATOM 0 HD21 LEU A 6 -5.987 -11.219 8.733 1.00 1.44 H new ATOM 0 HD22 LEU A 6 -6.539 -9.769 7.860 1.00 1.44 H new ATOM 0 HD23 LEU A 6 -7.721 -10.823 8.671 1.00 1.44 H new ATOM 34 N GLN A 7 -9.852 -9.387 4.195 1.00 44.20 N ATOM 35 CA GLN A 7 -10.580 -9.144 2.955 1.00 14.10 C ATOM 36 C GLN A 7 -10.330 -7.725 2.450 1.00 72.20 C ATOM 37 O GLN A 7 -10.110 -7.509 1.258 1.00 42.10 O ATOM 38 CB GLN A 7 -12.070 -9.373 3.164 1.00 41.40 C ATOM 39 CG GLN A 7 -12.510 -10.800 2.898 1.00 1.45 C ATOM 40 CD GLN A 7 -12.960 -11.010 1.466 1.00 5.25 C ATOM 41 OE1 GLN A 7 -14.160 -11.090 1.184 1.00 63.00 O ATOM 42 NE2 GLN A 7 -12.000 -11.110 0.552 1.00 2.45 N ATOM 0 H GLN A 7 -10.443 -9.627 4.990 1.00 44.20 H new ATOM 0 HA GLN A 7 -10.218 -9.845 2.203 1.00 14.10 H new ATOM 0 HB2 GLN A 7 -12.329 -9.107 4.189 1.00 41.40 H new ATOM 0 HB3 GLN A 7 -12.627 -8.702 2.510 1.00 41.40 H new ATOM 0 HG2 GLN A 7 -11.686 -11.478 3.120 1.00 1.45 H new ATOM 0 HG3 GLN A 7 -13.326 -11.057 3.574 1.00 1.45 H new ATOM 0 HE21 GLN A 7 -11.021 -11.038 0.830 1.00 2.45 H new ATOM 0 HE22 GLN A 7 -12.242 -11.259 -0.428 1.00 2.45 H new ATOM 51 N LYS A 8 -10.370 -6.763 3.366 1.00 1.12 N ATOM 52 CA LYS A 8 -10.150 -5.365 3.014 1.00 53.20 C ATOM 53 C LYS A 8 -8.750 -5.156 2.456 1.00 54.20 C ATOM 54 O LYS A 8 -8.540 -4.330 1.568 1.00 35.10 O ATOM 55 CB LYS A 8 -10.360 -4.470 4.236 1.00 35.00 C ATOM 56 CG LYS A 8 -11.810 -4.054 4.440 1.00 63.30 C ATOM 57 CD LYS A 8 -11.910 -2.685 5.093 1.00 53.40 C ATOM 58 CE LYS A 8 -13.210 -2.530 5.865 1.00 20.30 C ATOM 59 NZ LYS A 8 -13.330 -1.180 6.481 1.00 52.20 N ATOM 0 H LYS A 8 -10.552 -6.926 4.356 1.00 1.12 H new ATOM 0 HA LYS A 8 -10.872 -5.095 2.244 1.00 53.20 H new ATOM 0 HB2 LYS A 8 -10.012 -4.995 5.126 1.00 35.00 H new ATOM 0 HB3 LYS A 8 -9.745 -3.576 4.132 1.00 35.00 H new ATOM 0 HG2 LYS A 8 -12.324 -4.038 3.479 1.00 63.30 H new ATOM 0 HG3 LYS A 8 -12.318 -4.792 5.061 1.00 63.30 H new ATOM 0 HD2 LYS A 8 -11.066 -2.540 5.767 1.00 53.40 H new ATOM 0 HD3 LYS A 8 -11.845 -1.911 4.329 1.00 53.40 H new ATOM 0 HE2 LYS A 8 -14.053 -2.700 5.195 1.00 20.30 H new ATOM 0 HE3 LYS A 8 -13.263 -3.291 6.644 1.00 20.30 H new ATOM 0 HZ1 LYS A 8 -14.230 -1.113 6.999 1.00 52.20 H new ATOM 0 HZ2 LYS A 8 -12.540 -1.027 7.139 1.00 52.20 H new ATOM 0 HZ3 LYS A 8 -13.305 -0.455 5.736 1.00 52.20 H new ATOM 73 N ALA A 9 -7.792 -5.911 2.984 1.00 73.40 N ATOM 74 CA ALA A 9 -6.407 -5.809 2.539 1.00 32.20 C ATOM 75 C ALA A 9 -6.247 -6.343 1.120 1.00 31.30 C ATOM 76 O ALA A 9 -5.541 -5.755 0.300 1.00 72.10 O ATOM 77 CB ALA A 9 -5.491 -6.559 3.494 1.00 31.40 C ATOM 0 H ALA A 9 -7.949 -6.600 3.720 1.00 73.40 H new ATOM 0 HA ALA A 9 -6.127 -4.756 2.536 1.00 32.20 H new ATOM 0 HB1 ALA A 9 -4.460 -6.475 3.150 1.00 31.40 H new ATOM 0 HB2 ALA A 9 -5.577 -6.130 4.492 1.00 31.40 H new ATOM 0 HB3 ALA A 9 -5.779 -7.610 3.524 1.00 31.40 H new ATOM 83 N ILE A 10 -6.905 -7.462 0.836 1.00 44.40 N ATOM 84 CA ILE A 10 -6.835 -8.076 -0.485 1.00 33.10 C ATOM 85 C ILE A 10 -7.718 -7.334 -1.483 1.00 12.50 C ATOM 86 O ILE A 10 -7.297 -7.041 -2.602 1.00 4.01 O ATOM 87 CB ILE A 10 -7.262 -9.555 -0.441 1.00 1.12 C ATOM 88 CG1 ILE A 10 -6.536 -10.280 0.689 1.00 20.40 C ATOM 89 CG2 ILE A 10 -6.985 -10.220 -1.778 1.00 24.40 C ATOM 90 CD1 ILE A 10 -7.170 -11.600 1.059 1.00 44.20 C ATOM 0 H ILE A 10 -7.493 -7.962 1.503 1.00 44.40 H new ATOM 0 HA ILE A 10 -5.795 -8.015 -0.807 1.00 33.10 H new ATOM 0 HB ILE A 10 -8.333 -9.609 -0.248 1.00 1.12 H new ATOM 0 HG12 ILE A 10 -5.501 -10.452 0.394 1.00 20.40 H new ATOM 0 HG13 ILE A 10 -6.514 -9.637 1.569 1.00 20.40 H new ATOM 0 HG21 ILE A 10 -7.291 -11.265 -1.735 1.00 24.40 H new ATOM 0 HG22 ILE A 10 -7.546 -9.710 -2.561 1.00 24.40 H new ATOM 0 HG23 ILE A 10 -5.919 -10.163 -1.999 1.00 24.40 H new ATOM 0 HD11 ILE A 10 -6.604 -12.061 1.868 1.00 44.20 H new ATOM 0 HD12 ILE A 10 -8.197 -11.432 1.384 1.00 44.20 H new ATOM 0 HD13 ILE A 10 -7.168 -12.260 0.192 1.00 44.20 H new ATOM 102 N ASP A 11 -8.944 -7.031 -1.069 1.00 75.40 N ATOM 103 CA ASP A 11 -9.887 -6.323 -1.927 1.00 14.20 C ATOM 104 C ASP A 11 -9.335 -4.960 -2.334 1.00 53.40 C ATOM 105 O ASP A 11 -9.596 -4.477 -3.435 1.00 1.40 O ATOM 106 CB ASP A 11 -11.220 -6.149 -1.212 1.00 12.40 C ATOM 107 CG ASP A 11 -12.140 -7.346 -1.397 1.00 61.10 C ATOM 108 OD1 ASP A 11 -11.620 -8.483 -1.442 1.00 3.54 O ATOM 109 OD2 ASP A 11 -13.370 -7.146 -1.496 1.00 10.10 O ATOM 0 H ASP A 11 -9.308 -7.265 -0.145 1.00 75.40 H new ATOM 0 HA ASP A 11 -10.038 -6.918 -2.828 1.00 14.20 H new ATOM 0 HB2 ASP A 11 -11.041 -5.994 -0.148 1.00 12.40 H new ATOM 0 HB3 ASP A 11 -11.715 -5.253 -1.586 1.00 12.40 H new ATOM 114 N LEU A 12 -8.569 -4.347 -1.437 1.00 15.10 N ATOM 115 CA LEU A 12 -7.979 -3.040 -1.703 1.00 63.50 C ATOM 116 C LEU A 12 -6.891 -3.141 -2.767 1.00 40.00 C ATOM 117 O LEU A 12 -6.924 -2.430 -3.772 1.00 42.30 O ATOM 118 CB LEU A 12 -7.397 -2.449 -0.417 1.00 35.20 C ATOM 119 CG LEU A 12 -8.387 -1.655 0.436 1.00 4.53 C ATOM 120 CD1 LEU A 12 -7.865 -1.502 1.856 1.00 21.30 C ATOM 121 CD2 LEU A 12 -8.652 -0.292 -0.187 1.00 54.00 C ATOM 0 H LEU A 12 -8.343 -4.734 -0.521 1.00 15.10 H new ATOM 0 HA LEU A 12 -8.765 -2.383 -2.074 1.00 63.50 H new ATOM 0 HB2 LEU A 12 -6.990 -3.261 0.186 1.00 35.20 H new ATOM 0 HB3 LEU A 12 -6.563 -1.798 -0.679 1.00 35.20 H new ATOM 0 HG LEU A 12 -9.328 -2.204 0.474 1.00 4.53 H new ATOM 0 HD11 LEU A 12 -8.583 -0.934 2.448 1.00 21.30 H new ATOM 0 HD12 LEU A 12 -7.726 -2.487 2.301 1.00 21.30 H new ATOM 0 HD13 LEU A 12 -6.911 -0.974 1.838 1.00 21.30 H new ATOM 0 HD21 LEU A 12 -9.359 0.260 0.433 1.00 54.00 H new ATOM 0 HD22 LEU A 12 -7.717 0.265 -0.255 1.00 54.00 H new ATOM 0 HD23 LEU A 12 -9.070 -0.423 -1.185 1.00 54.00 H new ATOM 133 N VAL A 13 -5.929 -4.029 -2.541 1.00 73.50 N ATOM 134 CA VAL A 13 -4.832 -4.223 -3.480 1.00 32.50 C ATOM 135 C VAL A 13 -5.344 -4.725 -4.826 1.00 55.40 C ATOM 136 O VAL A 13 -4.807 -4.374 -5.877 1.00 70.40 O ATOM 137 CB VAL A 13 -3.792 -5.219 -2.929 1.00 3.04 C ATOM 138 CG1 VAL A 13 -4.418 -6.589 -2.716 1.00 65.20 C ATOM 139 CG2 VAL A 13 -2.593 -5.311 -3.860 1.00 13.00 C ATOM 0 H VAL A 13 -5.887 -4.626 -1.715 1.00 73.50 H new ATOM 0 HA VAL A 13 -4.355 -3.253 -3.617 1.00 32.50 H new ATOM 0 HB VAL A 13 -3.445 -4.852 -1.963 1.00 3.04 H new ATOM 0 HG11 VAL A 13 -3.666 -7.276 -2.327 1.00 65.20 H new ATOM 0 HG12 VAL A 13 -5.239 -6.507 -2.003 1.00 65.20 H new ATOM 0 HG13 VAL A 13 -4.798 -6.967 -3.665 1.00 65.20 H new ATOM 0 HG21 VAL A 13 -1.870 -6.019 -3.454 1.00 13.00 H new ATOM 0 HG22 VAL A 13 -2.921 -5.651 -4.843 1.00 13.00 H new ATOM 0 HG23 VAL A 13 -2.127 -4.330 -3.952 1.00 13.00 H new ATOM 149 N THR A 14 -6.387 -5.548 -4.787 1.00 62.10 N ATOM 150 CA THR A 14 -6.973 -6.098 -6.004 1.00 64.00 C ATOM 151 C THR A 14 -7.481 -4.984 -6.913 1.00 50.50 C ATOM 152 O THR A 14 -7.307 -5.034 -8.131 1.00 75.00 O ATOM 153 CB THR A 14 -8.117 -7.054 -5.659 1.00 11.30 C ATOM 154 OG1 THR A 14 -7.658 -8.104 -4.825 1.00 74.30 O ATOM 155 CG2 THR A 14 -8.761 -7.683 -6.876 1.00 41.50 C ATOM 0 H THR A 14 -6.844 -5.849 -3.926 1.00 62.10 H new ATOM 0 HA THR A 14 -6.197 -6.650 -6.534 1.00 64.00 H new ATOM 0 HB THR A 14 -8.862 -6.441 -5.151 1.00 11.30 H new ATOM 0 HG1 THR A 14 -7.921 -7.925 -3.898 1.00 74.30 H new ATOM 0 HG21 THR A 14 -9.564 -8.349 -6.560 1.00 41.50 H new ATOM 0 HG22 THR A 14 -9.169 -6.901 -7.516 1.00 41.50 H new ATOM 0 HG23 THR A 14 -8.014 -8.252 -7.430 1.00 41.50 H new ATOM 163 N LYS A 15 -8.110 -3.978 -6.313 1.00 64.30 N ATOM 164 CA LYS A 15 -8.643 -2.851 -7.069 1.00 14.20 C ATOM 165 C LYS A 15 -7.515 -1.980 -7.613 1.00 3.31 C ATOM 166 O LYS A 15 -7.642 -1.376 -8.678 1.00 13.10 O ATOM 167 CB LYS A 15 -9.571 -2.012 -6.188 1.00 44.20 C ATOM 168 CG LYS A 15 -10.910 -2.665 -5.930 1.00 31.20 C ATOM 169 CD LYS A 15 -11.930 -2.295 -7.002 1.00 33.20 C ATOM 170 CE LYS A 15 -12.800 -1.130 -6.565 1.00 43.30 C ATOM 171 NZ LYS A 15 -12.000 0.107 -6.337 1.00 22.20 N ATOM 0 H LYS A 15 -8.263 -3.921 -5.306 1.00 64.30 H new ATOM 0 HA LYS A 15 -9.212 -3.246 -7.911 1.00 14.20 H new ATOM 0 HB2 LYS A 15 -9.079 -1.821 -5.234 1.00 44.20 H new ATOM 0 HB3 LYS A 15 -9.733 -1.044 -6.663 1.00 44.20 H new ATOM 0 HG2 LYS A 15 -10.788 -3.748 -5.901 1.00 31.20 H new ATOM 0 HG3 LYS A 15 -11.282 -2.360 -4.952 1.00 31.20 H new ATOM 0 HD2 LYS A 15 -11.411 -2.037 -7.925 1.00 33.20 H new ATOM 0 HD3 LYS A 15 -12.559 -3.158 -7.220 1.00 33.20 H new ATOM 0 HE2 LYS A 15 -13.557 -0.938 -7.325 1.00 43.30 H new ATOM 0 HE3 LYS A 15 -13.328 -1.395 -5.649 1.00 43.30 H new ATOM 0 HZ1 LYS A 15 -12.639 0.899 -6.123 1.00 22.20 H new ATOM 0 HZ2 LYS A 15 -11.352 -0.041 -5.537 1.00 22.20 H new ATOM 0 HZ3 LYS A 15 -11.450 0.327 -7.192 1.00 22.20 H new ATOM 185 N ALA A 16 -6.411 -1.921 -6.875 1.00 23.00 N ATOM 186 CA ALA A 16 -5.260 -1.125 -7.284 1.00 13.30 C ATOM 187 C ALA A 16 -4.586 -1.727 -8.512 1.00 70.20 C ATOM 188 O ALA A 16 -4.176 -1.007 -9.422 1.00 21.50 O ATOM 189 CB ALA A 16 -4.267 -1.008 -6.138 1.00 33.20 C ATOM 0 H ALA A 16 -6.289 -2.415 -5.991 1.00 23.00 H new ATOM 0 HA ALA A 16 -5.613 -0.128 -7.548 1.00 13.30 H new ATOM 0 HB1 ALA A 16 -3.412 -0.411 -6.457 1.00 33.20 H new ATOM 0 HB2 ALA A 16 -4.749 -0.527 -5.287 1.00 33.20 H new ATOM 0 HB3 ALA A 16 -3.927 -2.002 -5.848 1.00 33.20 H new ATOM 195 N THR A 17 -4.476 -3.051 -8.531 1.00 13.50 N ATOM 196 CA THR A 17 -3.851 -3.750 -9.648 1.00 13.20 C ATOM 197 C THR A 17 -4.616 -3.498 -10.940 1.00 4.32 C ATOM 198 O THR A 17 -4.027 -3.144 -11.960 1.00 13.50 O ATOM 199 CB THR A 17 -3.786 -5.252 -9.365 1.00 41.00 C ATOM 200 OG1 THR A 17 -3.863 -5.503 -7.973 1.00 41.50 O ATOM 201 CG2 THR A 17 -2.520 -5.903 -9.879 1.00 71.20 C ATOM 0 H THR A 17 -4.811 -3.661 -7.786 1.00 13.50 H new ATOM 0 HA THR A 17 -2.838 -3.366 -9.765 1.00 13.20 H new ATOM 0 HB THR A 17 -4.637 -5.683 -9.892 1.00 41.00 H new ATOM 0 HG1 THR A 17 -3.822 -6.469 -7.812 1.00 41.50 H new ATOM 0 HG21 THR A 17 -2.538 -6.968 -9.646 1.00 71.20 H new ATOM 0 HG22 THR A 17 -2.455 -5.769 -10.959 1.00 71.20 H new ATOM 0 HG23 THR A 17 -1.655 -5.442 -9.403 1.00 71.20 H new ATOM 209 N GLU A 18 -5.931 -3.682 -10.890 1.00 70.20 N ATOM 210 CA GLU A 18 -6.777 -3.474 -12.060 1.00 10.00 C ATOM 211 C GLU A 18 -6.675 -2.035 -12.560 1.00 32.20 C ATOM 212 O GLU A 18 -6.671 -1.783 -13.760 1.00 63.20 O ATOM 213 CB GLU A 18 -8.232 -3.809 -11.730 1.00 73.30 C ATOM 214 CG GLU A 18 -8.791 -3.009 -10.560 1.00 24.30 C ATOM 215 CD GLU A 18 -10.270 -3.235 -10.360 1.00 53.20 C ATOM 216 OE1 GLU A 18 -10.670 -4.392 -10.100 1.00 32.20 O ATOM 217 OE2 GLU A 18 -11.040 -2.256 -10.460 1.00 12.30 O ATOM 0 H GLU A 18 -6.434 -3.975 -10.052 1.00 70.20 H new ATOM 0 HA GLU A 18 -6.428 -4.139 -12.850 1.00 10.00 H new ATOM 0 HB2 GLU A 18 -8.847 -3.626 -12.611 1.00 73.30 H new ATOM 0 HB3 GLU A 18 -8.309 -4.872 -11.502 1.00 73.30 H new ATOM 0 HG2 GLU A 18 -8.258 -3.283 -9.649 1.00 24.30 H new ATOM 0 HG3 GLU A 18 -8.608 -1.948 -10.729 1.00 24.30 H new ATOM 224 N GLU A 19 -6.592 -1.096 -11.620 1.00 4.53 N ATOM 225 CA GLU A 19 -6.490 0.318 -11.960 1.00 42.10 C ATOM 226 C GLU A 19 -5.209 0.597 -12.740 1.00 64.10 C ATOM 227 O GLU A 19 -5.235 1.253 -13.780 1.00 52.10 O ATOM 228 CB GLU A 19 -6.529 1.176 -10.700 1.00 2.13 C ATOM 229 CG GLU A 19 -7.912 1.280 -10.080 1.00 53.10 C ATOM 230 CD GLU A 19 -8.851 2.154 -10.880 1.00 70.40 C ATOM 231 OE1 GLU A 19 -8.578 2.369 -12.080 1.00 14.20 O ATOM 232 OE2 GLU A 19 -9.860 2.625 -10.320 1.00 42.40 O ATOM 0 H GLU A 19 -6.594 -1.290 -10.619 1.00 4.53 H new ATOM 0 HA GLU A 19 -7.343 0.575 -12.588 1.00 42.10 H new ATOM 0 HB2 GLU A 19 -5.840 0.759 -9.965 1.00 2.13 H new ATOM 0 HB3 GLU A 19 -6.171 2.177 -10.941 1.00 2.13 H new ATOM 0 HG2 GLU A 19 -8.341 0.282 -9.990 1.00 53.10 H new ATOM 0 HG3 GLU A 19 -7.823 1.680 -9.070 1.00 53.10 H new ATOM 239 N ASP A 20 -4.090 0.095 -12.230 1.00 4.21 N ATOM 240 CA ASP A 20 -2.798 0.290 -12.880 1.00 31.50 C ATOM 241 C ASP A 20 -2.822 -0.236 -14.310 1.00 22.00 C ATOM 242 O ASP A 20 -2.118 0.276 -15.180 1.00 31.30 O ATOM 243 CB ASP A 20 -1.694 -0.411 -12.090 1.00 61.00 C ATOM 244 CG ASP A 20 -0.307 0.015 -12.520 1.00 72.50 C ATOM 245 OD1 ASP A 20 -0.132 1.203 -12.870 1.00 43.50 O ATOM 246 OD2 ASP A 20 0.605 -0.838 -12.520 1.00 61.40 O ATOM 0 H ASP A 20 -4.051 -0.450 -11.369 1.00 4.21 H new ATOM 0 HA ASP A 20 -2.594 1.360 -12.907 1.00 31.50 H new ATOM 0 HB2 ASP A 20 -1.822 -0.199 -11.029 1.00 61.00 H new ATOM 0 HB3 ASP A 20 -1.793 -1.489 -12.214 1.00 61.00 H new ATOM 251 N LYS A 21 -3.636 -1.259 -14.550 1.00 5.03 N ATOM 252 CA LYS A 21 -3.753 -1.854 -15.870 1.00 63.30 C ATOM 253 C LYS A 21 -4.612 -0.985 -16.790 1.00 13.20 C ATOM 254 O LYS A 21 -4.461 -1.018 -18.010 1.00 62.20 O ATOM 255 CB LYS A 21 -4.352 -3.258 -15.770 1.00 51.30 C ATOM 256 CG LYS A 21 -3.313 -4.350 -15.590 1.00 62.30 C ATOM 257 CD LYS A 21 -3.836 -5.469 -14.700 1.00 75.00 C ATOM 258 CE LYS A 21 -2.779 -6.537 -14.470 1.00 45.30 C ATOM 259 NZ LYS A 21 -1.565 -5.983 -13.810 1.00 34.20 N ATOM 0 H LYS A 21 -4.226 -1.693 -13.840 1.00 5.03 H new ATOM 0 HA LYS A 21 -2.753 -1.923 -16.297 1.00 63.30 H new ATOM 0 HB2 LYS A 21 -5.048 -3.288 -14.932 1.00 51.30 H new ATOM 0 HB3 LYS A 21 -4.930 -3.463 -16.671 1.00 51.30 H new ATOM 0 HG2 LYS A 21 -3.036 -4.756 -16.563 1.00 62.30 H new ATOM 0 HG3 LYS A 21 -2.409 -3.926 -15.152 1.00 62.30 H new ATOM 0 HD2 LYS A 21 -4.152 -5.056 -13.742 1.00 75.00 H new ATOM 0 HD3 LYS A 21 -4.716 -5.919 -15.159 1.00 75.00 H new ATOM 0 HE2 LYS A 21 -3.196 -7.334 -13.854 1.00 45.30 H new ATOM 0 HE3 LYS A 21 -2.501 -6.984 -15.424 1.00 45.30 H new ATOM 0 HZ1 LYS A 21 -0.991 -6.762 -13.428 1.00 34.20 H new ATOM 0 HZ2 LYS A 21 -1.005 -5.449 -14.505 1.00 34.20 H new ATOM 0 HZ3 LYS A 21 -1.849 -5.350 -13.035 1.00 34.20 H new ATOM 273 N ALA A 22 -5.514 -0.211 -16.190 1.00 70.30 N ATOM 274 CA ALA A 22 -6.395 0.663 -16.960 1.00 24.00 C ATOM 275 C ALA A 22 -5.851 2.088 -17.010 1.00 51.20 C ATOM 276 O ALA A 22 -6.613 3.048 -17.130 1.00 51.30 O ATOM 277 CB ALA A 22 -7.794 0.653 -16.360 1.00 52.40 C ATOM 0 H ALA A 22 -5.653 -0.171 -15.180 1.00 70.30 H new ATOM 0 HA ALA A 22 -6.442 0.285 -17.981 1.00 24.00 H new ATOM 0 HB1 ALA A 22 -8.444 1.308 -16.941 1.00 52.40 H new ATOM 0 HB2 ALA A 22 -8.191 -0.362 -16.379 1.00 52.40 H new ATOM 0 HB3 ALA A 22 -7.751 1.006 -15.330 1.00 52.40 H new ATOM 283 N LYS A 23 -4.531 2.218 -16.930 1.00 73.40 N ATOM 284 CA LYS A 23 -3.887 3.527 -16.970 1.00 55.40 C ATOM 285 C LYS A 23 -4.398 4.425 -15.850 1.00 51.40 C ATOM 286 O LYS A 23 -4.456 5.646 -15.990 1.00 52.30 O ATOM 287 CB LYS A 23 -4.131 4.195 -18.320 1.00 51.20 C ATOM 288 CG LYS A 23 -3.925 3.265 -19.510 1.00 72.40 C ATOM 289 CD LYS A 23 -3.796 4.039 -20.810 1.00 64.10 C ATOM 290 CE LYS A 23 -2.340 4.232 -21.200 1.00 12.40 C ATOM 291 NZ LYS A 23 -2.136 5.482 -21.980 1.00 45.40 N ATOM 0 H LYS A 23 -3.886 1.433 -16.837 1.00 73.40 H new ATOM 0 HA LYS A 23 -2.816 3.378 -16.830 1.00 55.40 H new ATOM 0 HB2 LYS A 23 -5.150 4.582 -18.345 1.00 51.20 H new ATOM 0 HB3 LYS A 23 -3.462 5.050 -18.418 1.00 51.20 H new ATOM 0 HG2 LYS A 23 -3.028 2.665 -19.353 1.00 72.40 H new ATOM 0 HG3 LYS A 23 -4.764 2.572 -19.580 1.00 72.40 H new ATOM 0 HD2 LYS A 23 -4.319 3.508 -21.605 1.00 64.10 H new ATOM 0 HD3 LYS A 23 -4.278 5.011 -20.705 1.00 64.10 H new ATOM 0 HE2 LYS A 23 -1.724 4.260 -20.301 1.00 12.40 H new ATOM 0 HE3 LYS A 23 -2.006 3.378 -21.789 1.00 12.40 H new ATOM 0 HZ1 LYS A 23 -1.130 5.577 -22.227 1.00 45.40 H new ATOM 0 HZ2 LYS A 23 -2.704 5.445 -22.850 1.00 45.40 H new ATOM 0 HZ3 LYS A 23 -2.431 6.300 -21.409 1.00 45.40 H new ATOM 305 N ASN A 24 -4.768 3.813 -14.730 1.00 22.30 N ATOM 306 CA ASN A 24 -5.273 4.560 -13.580 1.00 42.30 C ATOM 307 C ASN A 24 -4.271 4.534 -12.430 1.00 72.20 C ATOM 308 O ASN A 24 -4.408 3.748 -11.490 1.00 23.30 O ATOM 309 CB ASN A 24 -6.613 3.984 -13.120 1.00 72.30 C ATOM 310 CG ASN A 24 -7.794 4.667 -13.780 1.00 30.20 C ATOM 311 OD1 ASN A 24 -8.908 4.750 -13.060 1.00 15.50 O flip ATOM 312 ND2 ASN A 24 -7.707 5.115 -14.920 1.00 70.40 N flip ATOM 0 H ASN A 24 -4.728 2.803 -14.593 1.00 22.30 H new ATOM 0 HA ASN A 24 -5.418 5.596 -13.886 1.00 42.30 H new ATOM 0 HB2 ASN A 24 -6.643 2.918 -13.343 1.00 72.30 H new ATOM 0 HB3 ASN A 24 -6.697 4.086 -12.038 1.00 72.30 H new ATOM 0 HD21 ASN A 24 -6.832 5.029 -15.436 1.00 70.40 H new ATOM 0 HD22 ASN A 24 -8.510 5.573 -15.351 1.00 70.40 H new ATOM 319 N TYR A 25 -3.264 5.397 -12.510 1.00 11.30 N ATOM 320 CA TYR A 25 -2.238 5.473 -11.480 1.00 75.00 C ATOM 321 C TYR A 25 -2.799 6.082 -10.200 1.00 74.50 C ATOM 322 O TYR A 25 -2.456 5.657 -9.097 1.00 10.10 O ATOM 323 CB TYR A 25 -1.048 6.300 -11.970 1.00 63.10 C ATOM 324 CG TYR A 25 -0.622 5.969 -13.380 1.00 2.51 C ATOM 325 CD1 TYR A 25 0.275 4.939 -13.630 1.00 71.10 C ATOM 326 CD2 TYR A 25 -1.116 6.688 -14.460 1.00 65.40 C ATOM 327 CE1 TYR A 25 0.667 4.634 -14.920 1.00 23.30 C ATOM 328 CE2 TYR A 25 -0.730 6.389 -15.760 1.00 41.40 C ATOM 329 CZ TYR A 25 0.162 5.362 -15.980 1.00 33.40 C ATOM 330 OH TYR A 25 0.550 5.061 -17.270 1.00 15.20 O ATOM 0 H TYR A 25 -3.138 6.054 -13.280 1.00 11.30 H new ATOM 0 HA TYR A 25 -1.901 4.459 -11.265 1.00 75.00 H new ATOM 0 HB2 TYR A 25 -1.304 7.358 -11.916 1.00 63.10 H new ATOM 0 HB3 TYR A 25 -0.205 6.142 -11.298 1.00 63.10 H new ATOM 0 HD1 TYR A 25 0.672 4.368 -12.804 1.00 71.10 H new ATOM 0 HD2 TYR A 25 -1.813 7.494 -14.286 1.00 65.40 H new ATOM 0 HE1 TYR A 25 1.365 3.830 -15.099 1.00 23.30 H new ATOM 0 HE2 TYR A 25 -1.125 6.956 -16.590 1.00 41.40 H new ATOM 0 HH TYR A 25 0.102 5.667 -17.896 1.00 15.20 H new ATOM 340 N GLU A 26 -3.664 7.079 -10.350 1.00 11.30 N ATOM 341 CA GLU A 26 -4.273 7.747 -9.211 1.00 60.40 C ATOM 342 C GLU A 26 -5.110 6.770 -8.392 1.00 25.40 C ATOM 343 O GLU A 26 -4.849 6.552 -7.209 1.00 24.40 O ATOM 344 CB GLU A 26 -5.143 8.915 -9.679 1.00 1.13 C ATOM 345 CG GLU A 26 -4.409 9.902 -10.570 1.00 40.30 C ATOM 346 CD GLU A 26 -5.317 10.993 -11.100 1.00 53.10 C ATOM 347 OE1 GLU A 26 -5.549 11.980 -10.370 1.00 62.20 O ATOM 348 OE2 GLU A 26 -5.795 10.860 -12.250 1.00 53.30 O ATOM 0 H GLU A 26 -3.959 7.443 -11.256 1.00 11.30 H new ATOM 0 HA GLU A 26 -3.473 8.132 -8.579 1.00 60.40 H new ATOM 0 HB2 GLU A 26 -6.004 8.522 -10.219 1.00 1.13 H new ATOM 0 HB3 GLU A 26 -5.528 9.443 -8.806 1.00 1.13 H new ATOM 0 HG2 GLU A 26 -3.592 10.355 -10.009 1.00 40.30 H new ATOM 0 HG3 GLU A 26 -3.962 9.367 -11.408 1.00 40.30 H new ATOM 355 N GLU A 27 -6.119 6.185 -9.030 1.00 65.40 N ATOM 356 CA GLU A 27 -6.996 5.231 -8.361 1.00 11.40 C ATOM 357 C GLU A 27 -6.215 4.006 -7.895 1.00 4.43 C ATOM 358 O GLU A 27 -6.560 3.383 -6.890 1.00 33.30 O ATOM 359 CB GLU A 27 -8.127 4.803 -9.297 1.00 53.30 C ATOM 360 CG GLU A 27 -9.359 5.689 -9.208 1.00 42.20 C ATOM 361 CD GLU A 27 -9.977 5.966 -10.560 1.00 73.30 C ATOM 362 OE1 GLU A 27 -10.700 5.091 -11.070 1.00 52.30 O ATOM 363 OE2 GLU A 27 -9.731 7.059 -11.110 1.00 25.40 O ATOM 0 H GLU A 27 -6.349 6.355 -10.009 1.00 65.40 H new ATOM 0 HA GLU A 27 -7.423 5.721 -7.486 1.00 11.40 H new ATOM 0 HB2 GLU A 27 -7.760 4.808 -10.323 1.00 53.30 H new ATOM 0 HB3 GLU A 27 -8.411 3.776 -9.065 1.00 53.30 H new ATOM 0 HG2 GLU A 27 -10.099 5.212 -8.566 1.00 42.20 H new ATOM 0 HG3 GLU A 27 -9.089 6.634 -8.736 1.00 42.20 H new ATOM 370 N ALA A 28 -5.163 3.665 -8.631 1.00 22.20 N ATOM 371 CA ALA A 28 -4.334 2.513 -8.293 1.00 55.40 C ATOM 372 C ALA A 28 -3.472 2.796 -7.068 1.00 14.10 C ATOM 373 O ALA A 28 -3.155 1.890 -6.298 1.00 2.22 O ATOM 374 CB ALA A 28 -3.461 2.127 -9.477 1.00 51.20 C ATOM 0 H ALA A 28 -4.864 4.170 -9.465 1.00 22.20 H new ATOM 0 HA ALA A 28 -4.994 1.679 -8.054 1.00 55.40 H new ATOM 0 HB1 ALA A 28 -2.847 1.266 -9.211 1.00 51.20 H new ATOM 0 HB2 ALA A 28 -4.093 1.873 -10.328 1.00 51.20 H new ATOM 0 HB3 ALA A 28 -2.816 2.965 -9.742 1.00 51.20 H new ATOM 380 N LEU A 29 -3.095 4.059 -6.894 1.00 34.50 N ATOM 381 CA LEU A 29 -2.268 4.460 -5.761 1.00 1.23 C ATOM 382 C LEU A 29 -3.074 4.449 -4.466 1.00 0.04 C ATOM 383 O LEU A 29 -2.641 3.890 -3.459 1.00 31.10 O ATOM 384 CB LEU A 29 -1.679 5.853 -6.001 1.00 34.40 C ATOM 385 CG LEU A 29 -0.588 6.280 -5.016 1.00 62.10 C ATOM 386 CD1 LEU A 29 -1.192 6.621 -3.663 1.00 14.50 C ATOM 387 CD2 LEU A 29 0.462 5.187 -4.874 1.00 55.30 C ATOM 0 H LEU A 29 -3.349 4.821 -7.522 1.00 34.50 H new ATOM 0 HA LEU A 29 -1.454 3.741 -5.664 1.00 1.23 H new ATOM 0 HB2 LEU A 29 -1.268 5.887 -7.010 1.00 34.40 H new ATOM 0 HB3 LEU A 29 -2.487 6.583 -5.961 1.00 34.40 H new ATOM 0 HG LEU A 29 -0.102 7.173 -5.409 1.00 62.10 H new ATOM 0 HD11 LEU A 29 -0.401 6.922 -2.977 1.00 14.50 H new ATOM 0 HD12 LEU A 29 -1.903 7.439 -3.778 1.00 14.50 H new ATOM 0 HD13 LEU A 29 -1.706 5.747 -3.263 1.00 14.50 H new ATOM 0 HD21 LEU A 29 1.229 5.509 -4.170 1.00 55.30 H new ATOM 0 HD22 LEU A 29 -0.009 4.276 -4.506 1.00 55.30 H new ATOM 0 HD23 LEU A 29 0.919 4.993 -5.844 1.00 55.30 H new ATOM 399 N ARG A 30 -4.247 5.072 -4.500 1.00 44.50 N ATOM 400 CA ARG A 30 -5.113 5.134 -3.327 1.00 0.11 C ATOM 401 C ARG A 30 -5.487 3.734 -2.851 1.00 64.50 C ATOM 402 O ARG A 30 -5.590 3.482 -1.651 1.00 55.20 O ATOM 403 CB ARG A 30 -6.378 5.934 -3.642 1.00 35.10 C ATOM 404 CG ARG A 30 -7.042 5.532 -4.950 1.00 34.40 C ATOM 405 CD ARG A 30 -8.442 6.112 -5.065 1.00 22.40 C ATOM 406 NE ARG A 30 -9.367 5.186 -5.713 1.00 33.00 N ATOM 407 CZ ARG A 30 -10.690 5.298 -5.655 1.00 23.30 C ATOM 408 NH1 ARG A 30 -11.250 6.295 -4.980 1.00 43.20 N ATOM 409 NH2 ARG A 30 -11.460 4.412 -6.274 1.00 50.30 N ATOM 0 H ARG A 30 -4.620 5.541 -5.326 1.00 44.50 H new ATOM 0 HA ARG A 30 -4.565 5.634 -2.529 1.00 0.11 H new ATOM 0 HB2 ARG A 30 -7.091 5.806 -2.828 1.00 35.10 H new ATOM 0 HB3 ARG A 30 -6.127 6.994 -3.682 1.00 35.10 H new ATOM 0 HG2 ARG A 30 -6.435 5.875 -5.788 1.00 34.40 H new ATOM 0 HG3 ARG A 30 -7.091 4.445 -5.016 1.00 34.40 H new ATOM 0 HD2 ARG A 30 -8.814 6.360 -4.071 1.00 22.40 H new ATOM 0 HD3 ARG A 30 -8.404 7.042 -5.632 1.00 22.40 H new ATOM 0 HE ARG A 30 -8.974 4.407 -6.242 1.00 33.00 H new ATOM 0 HH11 ARG A 30 -10.664 6.980 -4.503 1.00 43.20 H new ATOM 0 HH12 ARG A 30 -12.266 6.376 -4.939 1.00 43.20 H new ATOM 0 HH21 ARG A 30 -11.037 3.644 -6.795 1.00 50.30 H new ATOM 0 HH22 ARG A 30 -12.475 4.499 -6.229 1.00 50.30 H new ATOM 423 N LEU A 31 -5.689 2.826 -3.800 1.00 44.40 N ATOM 424 CA LEU A 31 -6.052 1.451 -3.478 1.00 71.20 C ATOM 425 C LEU A 31 -4.842 0.676 -2.965 1.00 12.30 C ATOM 426 O LEU A 31 -4.974 -0.227 -2.139 1.00 3.41 O ATOM 427 CB LEU A 31 -6.638 0.753 -4.708 1.00 72.10 C ATOM 428 CG LEU A 31 -8.164 0.780 -4.801 1.00 63.10 C ATOM 429 CD1 LEU A 31 -8.786 0.208 -3.536 1.00 41.30 C ATOM 430 CD2 LEU A 31 -8.658 2.198 -5.046 1.00 73.40 C ATOM 0 H LEU A 31 -5.607 3.018 -4.798 1.00 44.40 H new ATOM 0 HA LEU A 31 -6.806 1.475 -2.691 1.00 71.20 H new ATOM 0 HB2 LEU A 31 -6.226 1.220 -5.603 1.00 72.10 H new ATOM 0 HB3 LEU A 31 -6.307 -0.286 -4.710 1.00 72.10 H new ATOM 0 HG LEU A 31 -8.469 0.160 -5.644 1.00 63.10 H new ATOM 0 HD11 LEU A 31 -9.872 0.235 -3.620 1.00 41.30 H new ATOM 0 HD12 LEU A 31 -8.458 -0.823 -3.403 1.00 41.30 H new ATOM 0 HD13 LEU A 31 -8.474 0.801 -2.677 1.00 41.30 H new ATOM 0 HD21 LEU A 31 -9.746 2.198 -5.109 1.00 73.40 H new ATOM 0 HD22 LEU A 31 -8.342 2.840 -4.224 1.00 73.40 H new ATOM 0 HD23 LEU A 31 -8.240 2.573 -5.980 1.00 73.40 H new ATOM 442 N TYR A 32 -3.662 1.035 -3.461 1.00 0.22 N ATOM 443 CA TYR A 32 -2.428 0.373 -3.053 1.00 23.40 C ATOM 444 C TYR A 32 -2.058 0.746 -1.621 1.00 61.30 C ATOM 445 O TYR A 32 -1.867 -0.125 -0.772 1.00 2.21 O ATOM 446 CB TYR A 32 -1.287 0.747 -4.001 1.00 31.20 C ATOM 447 CG TYR A 32 -1.131 -0.202 -5.167 1.00 60.50 C ATOM 448 CD1 TYR A 32 -1.177 -1.578 -4.978 1.00 65.10 C ATOM 449 CD2 TYR A 32 -0.939 0.277 -6.457 1.00 4.32 C ATOM 450 CE1 TYR A 32 -1.035 -2.449 -6.042 1.00 1.11 C ATOM 451 CE2 TYR A 32 -0.796 -0.588 -7.525 1.00 24.40 C ATOM 452 CZ TYR A 32 -0.845 -1.949 -7.313 1.00 32.30 C ATOM 453 OH TYR A 32 -0.704 -2.813 -8.374 1.00 45.40 O ATOM 0 H TYR A 32 -3.534 1.780 -4.146 1.00 0.22 H new ATOM 0 HA TYR A 32 -2.591 -0.704 -3.098 1.00 23.40 H new ATOM 0 HB2 TYR A 32 -1.459 1.753 -4.383 1.00 31.20 H new ATOM 0 HB3 TYR A 32 -0.354 0.775 -3.439 1.00 31.20 H new ATOM 0 HD1 TYR A 32 -1.326 -1.973 -3.984 1.00 65.10 H new ATOM 0 HD2 TYR A 32 -0.901 1.343 -6.628 1.00 4.32 H new ATOM 0 HE1 TYR A 32 -1.073 -3.516 -5.879 1.00 1.11 H new ATOM 0 HE2 TYR A 32 -0.646 -0.199 -8.521 1.00 24.40 H new ATOM 0 HH TYR A 32 -0.579 -2.300 -9.199 1.00 45.40 H new ATOM 463 N GLN A 33 -1.959 2.045 -1.360 1.00 23.00 N ATOM 464 CA GLN A 33 -1.612 2.534 -0.030 1.00 65.00 C ATOM 465 C GLN A 33 -2.633 2.069 1.004 1.00 45.40 C ATOM 466 O GLN A 33 -2.295 1.845 2.167 1.00 13.20 O ATOM 467 CB GLN A 33 -1.528 4.061 -0.030 1.00 31.30 C ATOM 468 CG GLN A 33 -2.852 4.743 -0.334 1.00 14.20 C ATOM 469 CD GLN A 33 -2.858 6.206 0.064 1.00 34.00 C ATOM 470 OE1 GLN A 33 -2.777 6.541 1.246 1.00 45.40 O ATOM 471 NE2 GLN A 33 -2.955 7.088 -0.925 1.00 72.50 N ATOM 0 H GLN A 33 -2.114 2.778 -2.052 1.00 23.00 H new ATOM 0 HA GLN A 33 -0.638 2.124 0.237 1.00 65.00 H new ATOM 0 HB2 GLN A 33 -1.171 4.397 0.944 1.00 31.30 H new ATOM 0 HB3 GLN A 33 -0.789 4.376 -0.767 1.00 31.30 H new ATOM 0 HG2 GLN A 33 -3.063 4.659 -1.400 1.00 14.20 H new ATOM 0 HG3 GLN A 33 -3.653 4.224 0.192 1.00 14.20 H new ATOM 0 HE21 GLN A 33 -3.020 6.766 -1.891 1.00 72.50 H new ATOM 0 HE22 GLN A 33 -2.964 8.087 -0.718 1.00 72.50 H new ATOM 480 N HIS A 34 -3.882 1.927 0.573 1.00 2.35 N ATOM 481 CA HIS A 34 -4.952 1.489 1.462 1.00 11.50 C ATOM 482 C HIS A 34 -4.832 -0.001 1.764 1.00 42.20 C ATOM 483 O HIS A 34 -5.126 -0.445 2.874 1.00 14.10 O ATOM 484 CB HIS A 34 -6.316 1.787 0.837 1.00 40.10 C ATOM 485 CG HIS A 34 -6.861 3.132 1.203 1.00 15.20 C ATOM 486 ND1 HIS A 34 -6.365 4.311 0.686 1.00 14.10 N ATOM 487 CD2 HIS A 34 -7.866 3.484 2.040 1.00 40.40 C ATOM 488 CE1 HIS A 34 -7.041 5.329 1.190 1.00 45.10 C ATOM 489 NE2 HIS A 34 -7.957 4.854 2.013 1.00 41.20 N ATOM 0 H HIS A 34 -4.178 2.109 -0.386 1.00 2.35 H new ATOM 0 HA HIS A 34 -4.861 2.039 2.399 1.00 11.50 H new ATOM 0 HB2 HIS A 34 -6.232 1.721 -0.248 1.00 40.10 H new ATOM 0 HB3 HIS A 34 -7.025 1.020 1.149 1.00 40.10 H new ATOM 0 HD1 HIS A 34 -5.597 4.385 0.019 1.00 14.10 H new ATOM 0 HD2 HIS A 34 -8.481 2.812 2.620 1.00 40.40 H new ATOM 0 HE1 HIS A 34 -6.872 6.372 0.966 1.00 45.10 H new ATOM 498 N ALA A 35 -4.398 -0.768 0.769 1.00 75.30 N ATOM 499 CA ALA A 35 -4.240 -2.209 0.929 1.00 75.00 C ATOM 500 C ALA A 35 -3.037 -2.535 1.808 1.00 4.45 C ATOM 501 O ALA A 35 -3.162 -3.237 2.811 1.00 21.30 O ATOM 502 CB ALA A 35 -4.099 -2.877 -0.431 1.00 1.54 C ATOM 0 H ALA A 35 -4.150 -0.416 -0.156 1.00 75.30 H new ATOM 0 HA ALA A 35 -5.132 -2.596 1.422 1.00 75.00 H new ATOM 0 HB1 ALA A 35 -3.982 -3.952 -0.298 1.00 1.54 H new ATOM 0 HB2 ALA A 35 -4.990 -2.680 -1.027 1.00 1.54 H new ATOM 0 HB3 ALA A 35 -3.224 -2.477 -0.944 1.00 1.54 H new ATOM 508 N VAL A 36 -1.873 -2.020 1.425 1.00 52.30 N ATOM 509 CA VAL A 36 -0.648 -2.257 2.178 1.00 10.20 C ATOM 510 C VAL A 36 -0.774 -1.743 3.608 1.00 14.30 C ATOM 511 O VAL A 36 -0.336 -2.397 4.555 1.00 51.20 O ATOM 512 CB VAL A 36 0.564 -1.582 1.508 1.00 34.20 C ATOM 513 CG1 VAL A 36 1.855 -2.001 2.193 1.00 33.10 C ATOM 514 CG2 VAL A 36 0.606 -1.914 0.024 1.00 25.30 C ATOM 0 H VAL A 36 -1.753 -1.436 0.597 1.00 52.30 H new ATOM 0 HA VAL A 36 -0.491 -3.336 2.194 1.00 10.20 H new ATOM 0 HB VAL A 36 0.460 -0.502 1.612 1.00 34.20 H new ATOM 0 HG11 VAL A 36 2.700 -1.514 1.706 1.00 33.10 H new ATOM 0 HG12 VAL A 36 1.822 -1.707 3.242 1.00 33.10 H new ATOM 0 HG13 VAL A 36 1.970 -3.083 2.123 1.00 33.10 H new ATOM 0 HG21 VAL A 36 1.468 -1.429 -0.433 1.00 25.30 H new ATOM 0 HG22 VAL A 36 0.686 -2.993 -0.105 1.00 25.30 H new ATOM 0 HG23 VAL A 36 -0.306 -1.558 -0.454 1.00 25.30 H new ATOM 524 N GLU A 37 -1.376 -0.568 3.759 1.00 52.10 N ATOM 525 CA GLU A 37 -1.561 0.034 5.074 1.00 74.40 C ATOM 526 C GLU A 37 -2.395 -0.871 5.975 1.00 63.20 C ATOM 527 O GLU A 37 -2.116 -1.007 7.166 1.00 11.30 O ATOM 528 CB GLU A 37 -2.233 1.402 4.943 1.00 31.20 C ATOM 529 CG GLU A 37 -2.426 2.115 6.271 1.00 14.10 C ATOM 530 CD GLU A 37 -3.708 1.708 6.970 1.00 64.30 C ATOM 531 OE1 GLU A 37 -4.788 1.854 6.361 1.00 42.50 O ATOM 532 OE2 GLU A 37 -3.632 1.244 8.127 1.00 22.10 O ATOM 0 H GLU A 37 -1.744 -0.013 2.986 1.00 52.10 H new ATOM 0 HA GLU A 37 -0.578 0.162 5.528 1.00 74.40 H new ATOM 0 HB2 GLU A 37 -1.632 2.031 4.286 1.00 31.20 H new ATOM 0 HB3 GLU A 37 -3.204 1.276 4.463 1.00 31.20 H new ATOM 0 HG2 GLU A 37 -1.578 1.900 6.921 1.00 14.10 H new ATOM 0 HG3 GLU A 37 -2.434 3.192 6.103 1.00 14.10 H new ATOM 539 N TYR A 38 -3.421 -1.489 5.397 1.00 12.40 N ATOM 540 CA TYR A 38 -4.296 -2.381 6.148 1.00 1.11 C ATOM 541 C TYR A 38 -3.599 -3.705 6.443 1.00 74.00 C ATOM 542 O TYR A 38 -3.853 -4.336 7.469 1.00 74.20 O ATOM 543 CB TYR A 38 -5.589 -2.634 5.370 1.00 44.10 C ATOM 544 CG TYR A 38 -6.689 -1.646 5.685 1.00 62.10 C ATOM 545 CD1 TYR A 38 -6.521 -0.289 5.440 1.00 64.10 C ATOM 546 CD2 TYR A 38 -7.896 -2.070 6.228 1.00 32.20 C ATOM 547 CE1 TYR A 38 -7.525 0.617 5.726 1.00 12.40 C ATOM 548 CE2 TYR A 38 -8.904 -1.170 6.516 1.00 22.20 C ATOM 549 CZ TYR A 38 -8.713 0.172 6.264 1.00 43.10 C ATOM 550 OH TYR A 38 -9.715 1.071 6.550 1.00 31.20 O ATOM 0 H TYR A 38 -3.666 -1.388 4.412 1.00 12.40 H new ATOM 0 HA TYR A 38 -4.538 -1.900 7.096 1.00 1.11 H new ATOM 0 HB2 TYR A 38 -5.374 -2.597 4.302 1.00 44.10 H new ATOM 0 HB3 TYR A 38 -5.943 -3.641 5.589 1.00 44.10 H new ATOM 0 HD1 TYR A 38 -5.591 0.064 5.019 1.00 64.10 H new ATOM 0 HD2 TYR A 38 -8.049 -3.120 6.428 1.00 32.20 H new ATOM 0 HE1 TYR A 38 -7.379 1.669 5.529 1.00 12.40 H new ATOM 0 HE2 TYR A 38 -9.837 -1.516 6.936 1.00 22.20 H new ATOM 0 HH TYR A 38 -10.486 0.594 6.923 1.00 31.20 H new ATOM 560 N PHE A 39 -2.720 -4.120 5.537 1.00 3.40 N ATOM 561 CA PHE A 39 -1.986 -5.370 5.700 1.00 62.40 C ATOM 562 C PHE A 39 -1.021 -5.284 6.878 1.00 23.30 C ATOM 563 O PHE A 39 -0.972 -6.180 7.720 1.00 44.20 O ATOM 564 CB PHE A 39 -1.219 -5.706 4.420 1.00 22.10 C ATOM 565 CG PHE A 39 -1.992 -6.574 3.468 1.00 12.00 C ATOM 566 CD1 PHE A 39 -2.562 -7.761 3.899 1.00 13.10 C ATOM 567 CD2 PHE A 39 -2.148 -6.202 2.142 1.00 42.40 C ATOM 568 CE1 PHE A 39 -3.273 -8.561 3.025 1.00 54.10 C ATOM 569 CE2 PHE A 39 -2.859 -6.998 1.264 1.00 44.30 C ATOM 570 CZ PHE A 39 -3.422 -8.179 1.706 1.00 62.00 C ATOM 0 H PHE A 39 -2.498 -3.609 4.682 1.00 3.40 H new ATOM 0 HA PHE A 39 -2.707 -6.162 5.901 1.00 62.40 H new ATOM 0 HB2 PHE A 39 -0.947 -4.779 3.915 1.00 22.10 H new ATOM 0 HB3 PHE A 39 -0.289 -6.209 4.685 1.00 22.10 H new ATOM 0 HD1 PHE A 39 -2.449 -8.064 4.929 1.00 13.10 H new ATOM 0 HD2 PHE A 39 -1.709 -5.280 1.791 1.00 42.40 H new ATOM 0 HE1 PHE A 39 -3.712 -9.484 3.373 1.00 54.10 H new ATOM 0 HE2 PHE A 39 -2.974 -6.697 0.233 1.00 44.30 H new ATOM 0 HZ PHE A 39 -3.978 -8.803 1.022 1.00 62.00 H new ATOM 580 N LEU A 40 -0.254 -4.199 6.930 1.00 45.30 N ATOM 581 CA LEU A 40 0.711 -3.996 8.005 1.00 15.40 C ATOM 582 C LEU A 40 0.016 -3.965 9.362 1.00 75.30 C ATOM 583 O LEU A 40 0.476 -4.585 10.321 1.00 1.43 O ATOM 584 CB LEU A 40 1.484 -2.695 7.785 1.00 0.44 C ATOM 585 CG LEU A 40 2.287 -2.630 6.485 1.00 33.10 C ATOM 586 CD1 LEU A 40 3.066 -1.326 6.402 1.00 53.10 C ATOM 587 CD2 LEU A 40 3.227 -3.822 6.380 1.00 62.30 C ATOM 0 H LEU A 40 -0.282 -3.448 6.241 1.00 45.30 H new ATOM 0 HA LEU A 40 1.410 -4.832 7.995 1.00 15.40 H new ATOM 0 HB2 LEU A 40 0.778 -1.864 7.800 1.00 0.44 H new ATOM 0 HB3 LEU A 40 2.166 -2.549 8.623 1.00 0.44 H new ATOM 0 HG LEU A 40 1.590 -2.666 5.648 1.00 33.10 H new ATOM 0 HD11 LEU A 40 3.631 -1.298 5.470 1.00 53.10 H new ATOM 0 HD12 LEU A 40 2.373 -0.485 6.431 1.00 53.10 H new ATOM 0 HD13 LEU A 40 3.753 -1.259 7.245 1.00 53.10 H new ATOM 0 HD21 LEU A 40 3.791 -3.760 5.449 1.00 62.30 H new ATOM 0 HD22 LEU A 40 3.917 -3.816 7.223 1.00 62.30 H new ATOM 0 HD23 LEU A 40 2.647 -4.745 6.392 1.00 62.30 H new ATOM 599 N HIS A 41 -1.095 -3.240 9.435 1.00 55.10 N ATOM 600 CA HIS A 41 -1.855 -3.128 10.675 1.00 55.10 C ATOM 601 C HIS A 41 -2.341 -4.496 11.141 1.00 74.30 C ATOM 602 O HIS A 41 -2.471 -4.745 12.340 1.00 64.50 O ATOM 603 CB HIS A 41 -3.046 -2.187 10.485 1.00 13.50 C ATOM 604 CG HIS A 41 -3.320 -1.320 11.674 1.00 13.40 C ATOM 605 ND1 HIS A 41 -3.080 -1.724 12.971 1.00 13.30 N ATOM 606 CD2 HIS A 41 -3.817 -0.063 11.760 1.00 2.25 C ATOM 607 CE1 HIS A 41 -3.418 -0.753 13.802 1.00 51.40 C ATOM 608 NE2 HIS A 41 -3.867 0.265 13.092 1.00 10.10 N ATOM 0 H HIS A 41 -1.489 -2.721 8.650 1.00 55.10 H new ATOM 0 HA HIS A 41 -1.196 -2.718 11.440 1.00 55.10 H new ATOM 0 HB2 HIS A 41 -2.862 -1.553 9.618 1.00 13.50 H new ATOM 0 HB3 HIS A 41 -3.934 -2.779 10.265 1.00 13.50 H new ATOM 0 HD1 HIS A 41 -2.701 -2.630 13.246 1.00 13.30 H new ATOM 0 HD2 HIS A 41 -4.118 0.565 10.934 1.00 2.25 H new ATOM 0 HE1 HIS A 41 -3.340 -0.787 14.879 1.00 51.40 H new ATOM 617 N ALA A 42 -2.609 -5.380 10.185 1.00 53.20 N ATOM 618 CA ALA A 42 -3.081 -6.723 10.498 1.00 33.30 C ATOM 619 C ALA A 42 -1.963 -7.576 11.087 1.00 1.21 C ATOM 620 O ALA A 42 -2.201 -8.422 11.949 1.00 3.13 O ATOM 621 CB ALA A 42 -3.651 -7.385 9.252 1.00 61.10 C ATOM 0 H ALA A 42 -2.507 -5.190 9.188 1.00 53.20 H new ATOM 0 HA ALA A 42 -3.870 -6.639 11.246 1.00 33.30 H new ATOM 0 HB1 ALA A 42 -4.000 -8.387 9.500 1.00 61.10 H new ATOM 0 HB2 ALA A 42 -4.485 -6.793 8.875 1.00 61.10 H new ATOM 0 HB3 ALA A 42 -2.877 -7.449 8.487 1.00 61.10 H new ATOM 627 N ILE A 43 -0.741 -7.347 10.616 1.00 33.30 N ATOM 628 CA ILE A 43 0.415 -8.095 11.097 1.00 71.50 C ATOM 629 C ILE A 43 0.750 -7.720 12.537 1.00 4.00 C ATOM 630 O ILE A 43 0.930 -8.589 13.390 1.00 64.20 O ATOM 631 CB ILE A 43 1.653 -7.848 10.212 1.00 14.30 C ATOM 632 CG1 ILE A 43 1.308 -8.071 8.738 1.00 65.30 C ATOM 633 CG2 ILE A 43 2.798 -8.757 10.635 1.00 3.40 C ATOM 634 CD1 ILE A 43 2.119 -7.212 7.792 1.00 15.40 C ATOM 0 H ILE A 43 -0.526 -6.650 9.903 1.00 33.30 H new ATOM 0 HA ILE A 43 0.151 -9.151 11.051 1.00 71.50 H new ATOM 0 HB ILE A 43 1.969 -6.813 10.340 1.00 14.30 H new ATOM 0 HG12 ILE A 43 1.467 -9.120 8.490 1.00 65.30 H new ATOM 0 HG13 ILE A 43 0.249 -7.865 8.586 1.00 65.30 H new ATOM 0 HG21 ILE A 43 3.664 -8.570 10.000 1.00 3.40 H new ATOM 0 HG22 ILE A 43 3.059 -8.554 11.674 1.00 3.40 H new ATOM 0 HG23 ILE A 43 2.492 -9.798 10.534 1.00 3.40 H new ATOM 0 HD11 ILE A 43 1.822 -7.422 6.764 1.00 15.40 H new ATOM 0 HD12 ILE A 43 1.941 -6.160 8.013 1.00 15.40 H new ATOM 0 HD13 ILE A 43 3.179 -7.435 7.916 1.00 15.40 H new ATOM 646 N LYS A 44 0.833 -6.420 12.800 1.00 42.20 N ATOM 647 CA LYS A 44 1.147 -5.929 14.137 1.00 21.10 C ATOM 648 C LYS A 44 0.100 -6.391 15.146 1.00 70.30 C ATOM 649 O LYS A 44 0.411 -6.627 16.314 1.00 41.30 O ATOM 650 CB LYS A 44 1.232 -4.402 14.136 1.00 34.50 C ATOM 651 CG LYS A 44 0.037 -3.726 13.485 1.00 30.30 C ATOM 652 CD LYS A 44 0.028 -2.230 13.754 1.00 11.10 C ATOM 653 CE LYS A 44 -0.257 -1.929 15.216 1.00 1.01 C ATOM 654 NZ LYS A 44 0.993 -1.670 15.984 1.00 61.30 N ATOM 0 H LYS A 44 0.687 -5.688 12.105 1.00 42.20 H new ATOM 0 HA LYS A 44 2.114 -6.339 14.430 1.00 21.10 H new ATOM 0 HB2 LYS A 44 1.322 -4.051 15.164 1.00 34.50 H new ATOM 0 HB3 LYS A 44 2.140 -4.097 13.615 1.00 34.50 H new ATOM 0 HG2 LYS A 44 0.059 -3.903 12.410 1.00 30.30 H new ATOM 0 HG3 LYS A 44 -0.884 -4.170 13.863 1.00 30.30 H new ATOM 0 HD2 LYS A 44 0.991 -1.803 13.475 1.00 11.10 H new ATOM 0 HD3 LYS A 44 -0.726 -1.751 13.129 1.00 11.10 H new ATOM 0 HE2 LYS A 44 -0.913 -1.061 15.287 1.00 1.01 H new ATOM 0 HE3 LYS A 44 -0.790 -2.769 15.662 1.00 1.01 H new ATOM 0 HZ1 LYS A 44 0.974 -2.212 16.871 1.00 61.30 H new ATOM 0 HZ2 LYS A 44 1.815 -1.962 15.418 1.00 61.30 H new ATOM 0 HZ3 LYS A 44 1.064 -0.655 16.200 1.00 61.30 H new ATOM 668 N TYR A 45 -1.140 -6.518 14.688 1.00 33.10 N ATOM 669 CA TYR A 45 -2.233 -6.952 15.550 1.00 71.20 C ATOM 670 C TYR A 45 -2.229 -8.469 15.713 1.00 30.50 C ATOM 671 O TYR A 45 -2.218 -8.983 16.831 1.00 40.20 O ATOM 672 CB TYR A 45 -3.576 -6.492 14.978 1.00 52.30 C ATOM 673 CG TYR A 45 -4.051 -5.169 15.537 1.00 43.10 C ATOM 674 CD1 TYR A 45 -3.171 -4.107 15.704 1.00 65.30 C ATOM 675 CD2 TYR A 45 -5.379 -4.983 15.897 1.00 5.31 C ATOM 676 CE1 TYR A 45 -3.601 -2.898 16.214 1.00 63.40 C ATOM 677 CE2 TYR A 45 -5.818 -3.776 16.408 1.00 2.34 C ATOM 678 CZ TYR A 45 -4.925 -2.737 16.565 1.00 34.20 C ATOM 679 OH TYR A 45 -5.357 -1.534 17.073 1.00 73.40 O ATOM 0 H TYR A 45 -1.414 -6.327 13.724 1.00 33.10 H new ATOM 0 HA TYR A 45 -2.090 -6.499 16.531 1.00 71.20 H new ATOM 0 HB2 TYR A 45 -3.491 -6.410 13.894 1.00 52.30 H new ATOM 0 HB3 TYR A 45 -4.328 -7.254 15.182 1.00 52.30 H new ATOM 0 HD1 TYR A 45 -2.133 -4.229 15.430 1.00 65.30 H new ATOM 0 HD2 TYR A 45 -6.081 -5.795 15.776 1.00 5.31 H new ATOM 0 HE1 TYR A 45 -2.904 -2.082 16.337 1.00 63.40 H new ATOM 0 HE2 TYR A 45 -6.855 -3.647 16.683 1.00 2.34 H new ATOM 0 HH TYR A 45 -6.316 -1.587 17.268 1.00 73.40 H new ATOM 689 N GLU A 46 -2.238 -9.180 14.590 1.00 53.40 N ATOM 690 CA GLU A 46 -2.235 -10.630 14.608 1.00 24.50 C ATOM 691 C GLU A 46 -1.289 -11.190 13.549 1.00 32.20 C ATOM 692 O GLU A 46 -1.077 -10.570 12.506 1.00 63.10 O ATOM 693 CB GLU A 46 -3.649 -11.170 14.378 1.00 3.13 C ATOM 694 CG GLU A 46 -4.445 -11.360 15.659 1.00 71.30 C ATOM 695 CD GLU A 46 -5.911 -11.010 15.491 1.00 12.10 C ATOM 696 OE1 GLU A 46 -6.447 -11.210 14.382 1.00 50.40 O ATOM 697 OE2 GLU A 46 -6.522 -10.530 16.468 1.00 43.10 O ATOM 0 H GLU A 46 -2.247 -8.770 13.656 1.00 53.40 H new ATOM 0 HA GLU A 46 -1.885 -10.951 15.589 1.00 24.50 H new ATOM 0 HB2 GLU A 46 -4.188 -10.485 13.724 1.00 3.13 H new ATOM 0 HB3 GLU A 46 -3.584 -12.125 13.856 1.00 3.13 H new ATOM 0 HG2 GLU A 46 -4.358 -12.396 15.987 1.00 71.30 H new ATOM 0 HG3 GLU A 46 -4.015 -10.740 16.445 1.00 71.30 H new ATOM 704 N ALA A 47 -0.723 -12.360 13.825 1.00 31.30 N ATOM 705 CA ALA A 47 0.200 -13.000 12.895 1.00 53.40 C ATOM 706 C ALA A 47 0.336 -14.490 13.194 1.00 74.40 C ATOM 707 O ALA A 47 -0.162 -14.980 14.209 1.00 63.50 O ATOM 708 CB ALA A 47 1.561 -12.320 12.954 1.00 74.50 C ATOM 0 H ALA A 47 -0.887 -12.884 14.685 1.00 31.30 H new ATOM 0 HA ALA A 47 -0.204 -12.895 11.888 1.00 53.40 H new ATOM 0 HB1 ALA A 47 2.241 -12.807 12.255 1.00 74.50 H new ATOM 0 HB2 ALA A 47 1.455 -11.269 12.685 1.00 74.50 H new ATOM 0 HB3 ALA A 47 1.963 -12.397 13.964 1.00 74.50 H new ATOM 714 N HIS A 48 1.014 -15.210 12.305 1.00 61.20 N ATOM 715 CA HIS A 48 1.216 -16.640 12.473 1.00 60.50 C ATOM 716 C HIS A 48 2.633 -16.940 12.952 1.00 51.30 C ATOM 717 O HIS A 48 2.828 -17.610 13.966 1.00 14.40 O ATOM 718 CB HIS A 48 0.945 -17.370 11.158 1.00 63.40 C ATOM 719 CG HIS A 48 -0.481 -17.290 10.710 1.00 41.40 C ATOM 720 ND1 HIS A 48 -0.881 -17.560 9.417 1.00 25.30 N ATOM 721 CD2 HIS A 48 -1.607 -16.970 11.390 1.00 71.00 C ATOM 722 CE1 HIS A 48 -2.190 -17.400 9.322 1.00 45.30 C ATOM 723 NE2 HIS A 48 -2.654 -17.040 10.505 1.00 21.00 N ATOM 0 H HIS A 48 1.433 -14.822 11.460 1.00 61.20 H new ATOM 0 HA HIS A 48 0.516 -16.993 13.230 1.00 60.50 H new ATOM 0 HB2 HIS A 48 1.585 -16.951 10.381 1.00 63.40 H new ATOM 0 HB3 HIS A 48 1.224 -18.418 11.270 1.00 63.40 H new ATOM 0 HD2 HIS A 48 -1.670 -16.708 12.436 1.00 71.00 H new ATOM 0 HE1 HIS A 48 -2.780 -17.540 8.428 1.00 45.30 H new ATOM 0 HE2 HIS A 48 -3.631 -16.846 10.725 1.00 21.00 H new ATOM 732 N SER A 49 3.618 -16.440 12.216 1.00 31.30 N ATOM 733 CA SER A 49 5.018 -16.650 12.565 1.00 53.40 C ATOM 734 C SER A 49 5.936 -15.840 11.651 1.00 30.30 C ATOM 735 O SER A 49 5.470 -15.080 10.805 1.00 15.20 O ATOM 736 CB SER A 49 5.368 -18.130 12.476 1.00 2.25 C ATOM 737 OG SER A 49 5.185 -18.780 13.725 1.00 34.20 O ATOM 0 H SER A 49 3.473 -15.885 11.372 1.00 31.30 H new ATOM 0 HA SER A 49 5.166 -16.310 13.590 1.00 53.40 H new ATOM 0 HB2 SER A 49 4.745 -18.608 11.720 1.00 2.25 H new ATOM 0 HB3 SER A 49 6.403 -18.242 12.154 1.00 2.25 H new ATOM 0 HG SER A 49 4.281 -18.599 14.058 1.00 34.20 H new ATOM 743 N ASP A 50 7.241 -16.020 11.828 1.00 25.00 N ATOM 744 CA ASP A 50 8.224 -15.310 11.019 1.00 22.10 C ATOM 745 C ASP A 50 8.071 -15.660 9.543 1.00 12.50 C ATOM 746 O ASP A 50 8.188 -14.790 8.674 1.00 52.30 O ATOM 747 CB ASP A 50 9.641 -15.640 11.490 1.00 14.50 C ATOM 748 CG ASP A 50 10.138 -14.680 12.554 1.00 73.00 C ATOM 749 OD1 ASP A 50 10.434 -13.520 12.211 1.00 1.20 O ATOM 750 OD2 ASP A 50 10.231 -15.090 13.729 1.00 12.40 O ATOM 0 H ASP A 50 7.641 -16.650 12.523 1.00 25.00 H new ATOM 0 HA ASP A 50 8.050 -14.241 11.140 1.00 22.10 H new ATOM 0 HB2 ASP A 50 9.662 -16.656 11.884 1.00 14.50 H new ATOM 0 HB3 ASP A 50 10.319 -15.615 10.637 1.00 14.50 H new ATOM 755 N LYS A 51 7.807 -16.930 9.267 1.00 44.10 N ATOM 756 CA LYS A 51 7.637 -17.400 7.895 1.00 42.10 C ATOM 757 C LYS A 51 6.475 -16.680 7.217 1.00 41.20 C ATOM 758 O LYS A 51 6.653 -16.020 6.193 1.00 62.50 O ATOM 759 CB LYS A 51 7.401 -18.910 7.873 1.00 30.50 C ATOM 760 CG LYS A 51 7.710 -19.550 6.532 1.00 65.10 C ATOM 761 CD LYS A 51 9.121 -20.120 6.498 1.00 35.20 C ATOM 762 CE LYS A 51 9.283 -21.140 5.389 1.00 35.10 C ATOM 763 NZ LYS A 51 8.560 -22.410 5.695 1.00 52.10 N ATOM 0 H LYS A 51 7.705 -17.656 9.976 1.00 44.10 H new ATOM 0 HA LYS A 51 8.551 -17.178 7.345 1.00 42.10 H new ATOM 0 HB2 LYS A 51 8.017 -19.378 8.641 1.00 30.50 H new ATOM 0 HB3 LYS A 51 6.362 -19.111 8.132 1.00 30.50 H new ATOM 0 HG2 LYS A 51 6.991 -20.344 6.332 1.00 65.10 H new ATOM 0 HG3 LYS A 51 7.596 -18.810 5.740 1.00 65.10 H new ATOM 0 HD2 LYS A 51 9.838 -19.311 6.357 1.00 35.20 H new ATOM 0 HD3 LYS A 51 9.350 -20.585 7.457 1.00 35.20 H new ATOM 0 HE2 LYS A 51 8.907 -20.724 4.454 1.00 35.10 H new ATOM 0 HE3 LYS A 51 10.342 -21.351 5.241 1.00 35.10 H new ATOM 0 HZ1 LYS A 51 8.916 -23.169 5.079 1.00 52.10 H new ATOM 0 HZ2 LYS A 51 8.718 -22.668 6.690 1.00 52.10 H new ATOM 0 HZ3 LYS A 51 7.542 -22.278 5.529 1.00 52.10 H new ATOM 777 N ALA A 52 5.286 -16.810 7.795 1.00 72.40 N ATOM 778 CA ALA A 52 4.094 -16.170 7.246 1.00 54.30 C ATOM 779 C ALA A 52 4.254 -14.660 7.197 1.00 62.10 C ATOM 780 O ALA A 52 3.902 -14.020 6.207 1.00 13.10 O ATOM 781 CB ALA A 52 2.870 -16.550 8.066 1.00 32.30 C ATOM 0 H ALA A 52 5.121 -17.352 8.643 1.00 72.40 H new ATOM 0 HA ALA A 52 3.958 -16.524 6.224 1.00 54.30 H new ATOM 0 HB1 ALA A 52 1.987 -16.067 7.647 1.00 32.30 H new ATOM 0 HB2 ALA A 52 2.737 -17.632 8.042 1.00 32.30 H new ATOM 0 HB3 ALA A 52 3.007 -16.224 9.097 1.00 32.30 H new ATOM 787 N LYS A 53 4.788 -14.090 8.274 1.00 62.30 N ATOM 788 CA LYS A 53 4.995 -12.650 8.354 1.00 13.40 C ATOM 789 C LYS A 53 5.928 -12.170 7.246 1.00 32.00 C ATOM 790 O LYS A 53 5.806 -11.050 6.761 1.00 13.20 O ATOM 791 CB LYS A 53 5.571 -12.270 9.720 1.00 72.50 C ATOM 792 CG LYS A 53 4.516 -12.120 10.803 1.00 70.30 C ATOM 793 CD LYS A 53 5.063 -11.380 12.012 1.00 53.30 C ATOM 794 CE LYS A 53 5.493 -12.340 13.107 1.00 55.10 C ATOM 795 NZ LYS A 53 6.217 -11.640 14.207 1.00 13.30 N ATOM 0 H LYS A 53 5.085 -14.605 9.103 1.00 62.30 H new ATOM 0 HA LYS A 53 4.028 -12.163 8.226 1.00 13.40 H new ATOM 0 HB2 LYS A 53 6.289 -13.030 10.027 1.00 72.50 H new ATOM 0 HB3 LYS A 53 6.119 -11.333 9.626 1.00 72.50 H new ATOM 0 HG2 LYS A 53 3.656 -11.582 10.403 1.00 70.30 H new ATOM 0 HG3 LYS A 53 4.162 -13.105 11.107 1.00 70.30 H new ATOM 0 HD2 LYS A 53 5.912 -10.767 11.711 1.00 53.30 H new ATOM 0 HD3 LYS A 53 4.302 -10.702 12.399 1.00 53.30 H new ATOM 0 HE2 LYS A 53 4.616 -12.844 13.513 1.00 55.10 H new ATOM 0 HE3 LYS A 53 6.136 -13.111 12.682 1.00 55.10 H new ATOM 0 HZ1 LYS A 53 6.494 -12.330 14.935 1.00 13.30 H new ATOM 0 HZ2 LYS A 53 7.068 -11.180 13.825 1.00 13.30 H new ATOM 0 HZ3 LYS A 53 5.595 -10.922 14.630 1.00 13.30 H new ATOM 809 N GLU A 54 6.859 -13.030 6.850 1.00 72.20 N ATOM 810 CA GLU A 54 7.813 -12.700 5.799 1.00 32.30 C ATOM 811 C GLU A 54 7.114 -12.580 4.448 1.00 54.40 C ATOM 812 O GLU A 54 7.339 -11.620 3.705 1.00 11.10 O ATOM 813 CB GLU A 54 8.914 -13.760 5.724 1.00 13.50 C ATOM 814 CG GLU A 54 10.099 -13.470 6.630 1.00 13.30 C ATOM 815 CD GLU A 54 11.146 -14.560 6.588 1.00 72.40 C ATOM 816 OE1 GLU A 54 10.826 -15.710 6.977 1.00 25.20 O ATOM 817 OE2 GLU A 54 12.287 -14.280 6.166 1.00 22.10 O ATOM 0 H GLU A 54 6.973 -13.964 7.243 1.00 72.20 H new ATOM 0 HA GLU A 54 8.263 -11.738 6.043 1.00 32.30 H new ATOM 0 HB2 GLU A 54 8.492 -14.729 5.990 1.00 13.50 H new ATOM 0 HB3 GLU A 54 9.264 -13.836 4.695 1.00 13.50 H new ATOM 0 HG2 GLU A 54 10.553 -12.524 6.336 1.00 13.30 H new ATOM 0 HG3 GLU A 54 9.747 -13.349 7.654 1.00 13.30 H new ATOM 824 N SER A 55 6.266 -13.550 4.138 1.00 53.50 N ATOM 825 CA SER A 55 5.534 -13.560 2.876 1.00 32.30 C ATOM 826 C SER A 55 4.648 -12.320 2.758 1.00 20.30 C ATOM 827 O SER A 55 4.508 -11.750 1.678 1.00 53.40 O ATOM 828 CB SER A 55 4.683 -14.820 2.760 1.00 15.50 C ATOM 829 OG SER A 55 5.454 -15.980 3.017 1.00 65.30 O ATOM 0 H SER A 55 6.066 -14.345 4.745 1.00 53.50 H new ATOM 0 HA SER A 55 6.260 -13.551 2.063 1.00 32.30 H new ATOM 0 HB2 SER A 55 3.852 -14.768 3.464 1.00 15.50 H new ATOM 0 HB3 SER A 55 4.251 -14.880 1.761 1.00 15.50 H new ATOM 0 HG SER A 55 4.886 -16.775 2.938 1.00 65.30 H new ATOM 835 N ILE A 56 4.053 -11.920 3.875 1.00 23.30 N ATOM 836 CA ILE A 56 3.181 -10.750 3.897 1.00 74.10 C ATOM 837 C ILE A 56 3.991 -9.462 3.823 1.00 53.30 C ATOM 838 O ILE A 56 3.532 -8.460 3.275 1.00 52.20 O ATOM 839 CB ILE A 56 2.308 -10.720 5.166 1.00 1.04 C ATOM 840 CG1 ILE A 56 1.614 -12.070 5.363 1.00 11.00 C ATOM 841 CG2 ILE A 56 1.282 -9.605 5.081 1.00 62.40 C ATOM 842 CD1 ILE A 56 1.115 -12.290 6.774 1.00 72.00 C ATOM 0 H ILE A 56 4.157 -12.387 4.776 1.00 23.30 H new ATOM 0 HA ILE A 56 2.534 -10.823 3.023 1.00 74.10 H new ATOM 0 HB ILE A 56 2.952 -10.529 6.025 1.00 1.04 H new ATOM 0 HG12 ILE A 56 0.773 -12.142 4.673 1.00 11.00 H new ATOM 0 HG13 ILE A 56 2.309 -12.869 5.103 1.00 11.00 H new ATOM 0 HG21 ILE A 56 0.675 -9.600 5.986 1.00 62.40 H new ATOM 0 HG22 ILE A 56 1.793 -8.647 4.981 1.00 62.40 H new ATOM 0 HG23 ILE A 56 0.640 -9.766 4.215 1.00 62.40 H new ATOM 0 HD11 ILE A 56 0.634 -13.266 6.842 1.00 72.00 H new ATOM 0 HD12 ILE A 56 1.955 -12.250 7.467 1.00 72.00 H new ATOM 0 HD13 ILE A 56 0.396 -11.512 7.031 1.00 72.00 H new ATOM 854 N ARG A 57 5.197 -9.493 4.379 1.00 75.30 N ATOM 855 CA ARG A 57 6.071 -8.326 4.376 1.00 1.50 C ATOM 856 C ARG A 57 6.615 -8.058 2.977 1.00 62.30 C ATOM 857 O ARG A 57 6.569 -6.929 2.488 1.00 3.42 O ATOM 858 CB ARG A 57 7.228 -8.525 5.358 1.00 21.40 C ATOM 859 CG ARG A 57 6.955 -7.961 6.742 1.00 52.20 C ATOM 860 CD ARG A 57 8.088 -8.274 7.705 1.00 11.50 C ATOM 861 NE ARG A 57 7.631 -8.320 9.092 1.00 24.30 N ATOM 862 CZ ARG A 57 8.443 -8.231 10.143 1.00 73.10 C ATOM 863 NH1 ARG A 57 9.751 -8.092 9.970 1.00 61.00 N ATOM 864 NH2 ARG A 57 7.945 -8.281 11.371 1.00 15.00 N ATOM 0 H ARG A 57 5.592 -10.314 4.838 1.00 75.30 H new ATOM 0 HA ARG A 57 5.484 -7.463 4.689 1.00 1.50 H new ATOM 0 HB2 ARG A 57 7.441 -9.591 5.445 1.00 21.40 H new ATOM 0 HB3 ARG A 57 8.123 -8.053 4.953 1.00 21.40 H new ATOM 0 HG2 ARG A 57 6.820 -6.881 6.676 1.00 52.20 H new ATOM 0 HG3 ARG A 57 6.024 -8.375 7.128 1.00 52.20 H new ATOM 0 HD2 ARG A 57 8.536 -9.232 7.439 1.00 11.50 H new ATOM 0 HD3 ARG A 57 8.868 -7.519 7.605 1.00 11.50 H new ATOM 0 HE ARG A 57 6.631 -8.427 9.265 1.00 24.30 H new ATOM 0 HH11 ARG A 57 10.139 -8.053 9.028 1.00 61.00 H new ATOM 0 HH12 ARG A 57 10.368 -8.024 10.779 1.00 61.00 H new ATOM 0 HH21 ARG A 57 6.940 -8.388 11.510 1.00 15.00 H new ATOM 0 HH22 ARG A 57 8.567 -8.213 12.177 1.00 15.00 H new ATOM 878 N ALA A 58 7.130 -9.103 2.337 1.00 74.10 N ATOM 879 CA ALA A 58 7.683 -8.980 0.994 1.00 1.43 C ATOM 880 C ALA A 58 6.633 -8.470 0.013 1.00 64.00 C ATOM 881 O ALA A 58 6.928 -7.652 -0.858 1.00 23.10 O ATOM 882 CB ALA A 58 8.238 -10.310 0.528 1.00 55.10 C ATOM 0 H ALA A 58 7.176 -10.044 2.727 1.00 74.10 H new ATOM 0 HA ALA A 58 8.495 -8.253 1.028 1.00 1.43 H new ATOM 0 HB1 ALA A 58 8.647 -10.202 -0.476 1.00 55.10 H new ATOM 0 HB2 ALA A 58 9.026 -10.634 1.208 1.00 55.10 H new ATOM 0 HB3 ALA A 58 7.441 -11.053 0.517 1.00 55.10 H new ATOM 888 N LYS A 59 5.406 -8.958 0.161 1.00 0.45 N ATOM 889 CA LYS A 59 4.311 -8.551 -0.712 1.00 22.10 C ATOM 890 C LYS A 59 3.926 -7.097 -0.458 1.00 42.00 C ATOM 891 O LYS A 59 3.491 -6.392 -1.369 1.00 31.20 O ATOM 892 CB LYS A 59 3.097 -9.458 -0.499 1.00 51.40 C ATOM 893 CG LYS A 59 3.088 -10.680 -1.397 1.00 42.40 C ATOM 894 CD LYS A 59 2.453 -11.870 -0.704 1.00 63.50 C ATOM 895 CE LYS A 59 1.982 -12.910 -1.707 1.00 64.40 C ATOM 896 NZ LYS A 59 3.122 -13.550 -2.420 1.00 65.20 N ATOM 0 H LYS A 59 5.145 -9.636 0.877 1.00 0.45 H new ATOM 0 HA LYS A 59 4.648 -8.644 -1.745 1.00 22.10 H new ATOM 0 HB2 LYS A 59 3.074 -9.782 0.542 1.00 51.40 H new ATOM 0 HB3 LYS A 59 2.188 -8.882 -0.674 1.00 51.40 H new ATOM 0 HG2 LYS A 59 2.542 -10.456 -2.313 1.00 42.40 H new ATOM 0 HG3 LYS A 59 4.109 -10.928 -1.687 1.00 42.40 H new ATOM 0 HD2 LYS A 59 3.172 -12.321 -0.021 1.00 63.50 H new ATOM 0 HD3 LYS A 59 1.609 -11.534 -0.102 1.00 63.50 H new ATOM 0 HE2 LYS A 59 1.401 -13.675 -1.191 1.00 64.40 H new ATOM 0 HE3 LYS A 59 1.318 -12.440 -2.432 1.00 64.40 H new ATOM 0 HZ1 LYS A 59 2.759 -14.253 -3.095 1.00 65.20 H new ATOM 0 HZ2 LYS A 59 3.662 -12.824 -2.933 1.00 65.20 H new ATOM 0 HZ3 LYS A 59 3.743 -14.020 -1.731 1.00 65.20 H new ATOM 910 N CYS A 60 4.089 -6.655 0.785 1.00 34.30 N ATOM 911 CA CYS A 60 3.758 -5.285 1.158 1.00 0.23 C ATOM 912 C CYS A 60 4.853 -4.321 0.714 1.00 55.30 C ATOM 913 O CYS A 60 4.571 -3.253 0.170 1.00 13.10 O ATOM 914 CB CYS A 60 3.554 -5.182 2.671 1.00 3.10 C ATOM 915 SG CYS A 60 2.028 -5.948 3.264 1.00 51.40 S ATOM 0 H CYS A 60 4.448 -7.226 1.550 1.00 34.30 H new ATOM 0 HA CYS A 60 2.831 -5.011 0.654 1.00 0.23 H new ATOM 0 HB2 CYS A 60 4.401 -5.649 3.174 1.00 3.10 H new ATOM 0 HB3 CYS A 60 3.554 -4.130 2.956 1.00 3.10 H new ATOM 0 HG CYS A 60 2.221 -7.222 3.437 1.00 51.40 H new ATOM 921 N VAL A 61 6.104 -4.705 0.950 1.00 64.40 N ATOM 922 CA VAL A 61 7.242 -3.874 0.574 1.00 0.34 C ATOM 923 C VAL A 61 7.247 -3.595 -0.926 1.00 71.20 C ATOM 924 O VAL A 61 7.579 -2.493 -1.361 1.00 72.00 O ATOM 925 CB VAL A 61 8.576 -4.538 0.965 1.00 23.10 C ATOM 926 CG1 VAL A 61 9.735 -3.577 0.744 1.00 22.40 C ATOM 927 CG2 VAL A 61 8.534 -5.015 2.411 1.00 53.40 C ATOM 0 H VAL A 61 6.355 -5.586 1.399 1.00 64.40 H new ATOM 0 HA VAL A 61 7.140 -2.934 1.116 1.00 0.34 H new ATOM 0 HB VAL A 61 8.729 -5.408 0.326 1.00 23.10 H new ATOM 0 HG11 VAL A 61 10.669 -4.063 1.025 1.00 22.40 H new ATOM 0 HG12 VAL A 61 9.776 -3.293 -0.307 1.00 22.40 H new ATOM 0 HG13 VAL A 61 9.591 -2.686 1.355 1.00 22.40 H new ATOM 0 HG21 VAL A 61 9.485 -5.481 2.668 1.00 53.40 H new ATOM 0 HG22 VAL A 61 8.357 -4.165 3.070 1.00 53.40 H new ATOM 0 HG23 VAL A 61 7.730 -5.741 2.531 1.00 53.40 H new ATOM 937 N GLN A 62 6.876 -4.602 -1.711 1.00 2.41 N ATOM 938 CA GLN A 62 6.837 -4.465 -3.162 1.00 22.20 C ATOM 939 C GLN A 62 5.672 -3.580 -3.593 1.00 55.40 C ATOM 940 O GLN A 62 5.794 -2.786 -4.526 1.00 40.10 O ATOM 941 CB GLN A 62 6.721 -5.840 -3.822 1.00 21.30 C ATOM 942 CG GLN A 62 7.203 -5.865 -5.263 1.00 52.30 C ATOM 943 CD GLN A 62 7.141 -7.251 -5.874 1.00 53.20 C ATOM 944 OE1 GLN A 62 7.687 -8.209 -5.325 1.00 42.40 O ATOM 945 NE2 GLN A 62 6.475 -7.365 -7.017 1.00 4.43 N ATOM 0 H GLN A 62 6.598 -5.521 -1.366 1.00 2.41 H new ATOM 0 HA GLN A 62 7.766 -3.994 -3.483 1.00 22.20 H new ATOM 0 HB2 GLN A 62 7.297 -6.562 -3.242 1.00 21.30 H new ATOM 0 HB3 GLN A 62 5.680 -6.163 -3.790 1.00 21.30 H new ATOM 0 HG2 GLN A 62 6.596 -5.182 -5.857 1.00 52.30 H new ATOM 0 HG3 GLN A 62 8.229 -5.499 -5.306 1.00 52.30 H new ATOM 0 HE21 GLN A 62 6.038 -6.544 -7.437 1.00 4.43 H new ATOM 0 HE22 GLN A 62 6.400 -8.273 -7.475 1.00 4.43 H new ATOM 954 N TYR A 63 4.542 -3.723 -2.907 1.00 53.20 N ATOM 955 CA TYR A 63 3.355 -2.937 -3.219 1.00 71.30 C ATOM 956 C TYR A 63 3.577 -1.464 -2.893 1.00 1.20 C ATOM 957 O TYR A 63 3.065 -0.581 -3.582 1.00 64.00 O ATOM 958 CB TYR A 63 2.148 -3.467 -2.442 1.00 64.50 C ATOM 959 CG TYR A 63 1.430 -4.602 -3.138 1.00 50.40 C ATOM 960 CD1 TYR A 63 1.135 -4.535 -4.494 1.00 51.30 C ATOM 961 CD2 TYR A 63 1.048 -5.739 -2.438 1.00 42.20 C ATOM 962 CE1 TYR A 63 0.479 -5.570 -5.133 1.00 73.20 C ATOM 963 CE2 TYR A 63 0.392 -6.779 -3.071 1.00 61.20 C ATOM 964 CZ TYR A 63 0.110 -6.689 -4.417 1.00 20.30 C ATOM 965 OH TYR A 63 -0.543 -7.721 -5.050 1.00 33.40 O ATOM 0 H TYR A 63 4.424 -4.376 -2.132 1.00 53.20 H new ATOM 0 HA TYR A 63 3.159 -3.029 -4.287 1.00 71.30 H new ATOM 0 HB2 TYR A 63 2.479 -3.805 -1.460 1.00 64.50 H new ATOM 0 HB3 TYR A 63 1.445 -2.650 -2.278 1.00 64.50 H new ATOM 0 HD1 TYR A 63 1.423 -3.660 -5.058 1.00 51.30 H new ATOM 0 HD2 TYR A 63 1.267 -5.812 -1.383 1.00 42.20 H new ATOM 0 HE1 TYR A 63 0.257 -5.503 -6.188 1.00 73.20 H new ATOM 0 HE2 TYR A 63 0.102 -7.657 -2.513 1.00 61.20 H new ATOM 0 HH TYR A 63 -0.731 -8.434 -4.404 1.00 33.40 H new ATOM 975 N LEU A 64 4.344 -1.205 -1.839 1.00 33.20 N ATOM 976 CA LEU A 64 4.634 0.161 -1.422 1.00 4.45 C ATOM 977 C LEU A 64 5.490 0.876 -2.462 1.00 15.30 C ATOM 978 O LEU A 64 5.261 2.046 -2.771 1.00 15.30 O ATOM 979 CB LEU A 64 5.348 0.163 -0.068 1.00 34.40 C ATOM 980 CG LEU A 64 5.345 1.507 0.663 1.00 23.00 C ATOM 981 CD1 LEU A 64 3.925 2.028 0.815 1.00 73.10 C ATOM 982 CD2 LEU A 64 6.015 1.373 2.022 1.00 54.20 C ATOM 0 H LEU A 64 4.776 -1.924 -1.258 1.00 33.20 H new ATOM 0 HA LEU A 64 3.688 0.694 -1.327 1.00 4.45 H new ATOM 0 HB2 LEU A 64 4.880 -0.583 0.574 1.00 34.40 H new ATOM 0 HB3 LEU A 64 6.381 -0.149 -0.219 1.00 34.40 H new ATOM 0 HG LEU A 64 5.911 2.225 0.070 1.00 23.00 H new ATOM 0 HD11 LEU A 64 3.942 2.985 1.337 1.00 73.10 H new ATOM 0 HD12 LEU A 64 3.479 2.161 -0.171 1.00 73.10 H new ATOM 0 HD13 LEU A 64 3.334 1.313 1.388 1.00 73.10 H new ATOM 0 HD21 LEU A 64 6.005 2.338 2.529 1.00 54.20 H new ATOM 0 HD22 LEU A 64 5.475 0.641 2.623 1.00 54.20 H new ATOM 0 HD23 LEU A 64 7.046 1.044 1.889 1.00 54.20 H new ATOM 994 N ASP A 65 6.477 0.166 -2.999 1.00 71.50 N ATOM 995 CA ASP A 65 7.367 0.733 -4.005 1.00 23.30 C ATOM 996 C ASP A 65 6.584 1.171 -5.239 1.00 1.05 C ATOM 997 O ASP A 65 6.836 2.238 -5.800 1.00 71.20 O ATOM 998 CB ASP A 65 8.437 -0.286 -4.402 1.00 51.40 C ATOM 999 CG ASP A 65 9.596 -0.317 -3.426 1.00 74.40 C ATOM 1000 OD1 ASP A 65 9.343 -0.318 -2.203 1.00 44.40 O ATOM 1001 OD2 ASP A 65 10.758 -0.340 -3.885 1.00 42.30 O ATOM 0 H ASP A 65 6.680 -0.803 -2.754 1.00 71.50 H new ATOM 0 HA ASP A 65 7.851 1.609 -3.573 1.00 23.30 H new ATOM 0 HB2 ASP A 65 7.987 -1.277 -4.459 1.00 51.40 H new ATOM 0 HB3 ASP A 65 8.810 -0.047 -5.398 1.00 51.40 H new ATOM 1006 N ARG A 66 5.633 0.342 -5.655 1.00 51.40 N ATOM 1007 CA ARG A 66 4.812 0.644 -6.822 1.00 43.30 C ATOM 1008 C ARG A 66 3.959 1.885 -6.579 1.00 14.10 C ATOM 1009 O ARG A 66 3.674 2.646 -7.505 1.00 14.10 O ATOM 1010 CB ARG A 66 3.915 -0.547 -7.163 1.00 2.51 C ATOM 1011 CG ARG A 66 4.584 -1.575 -8.060 1.00 45.20 C ATOM 1012 CD ARG A 66 3.714 -2.808 -8.240 1.00 23.30 C ATOM 1013 NE ARG A 66 2.957 -2.768 -9.489 1.00 62.50 N ATOM 1014 CZ ARG A 66 3.502 -2.939 -10.690 1.00 10.30 C ATOM 1015 NH1 ARG A 66 4.805 -3.162 -10.810 1.00 44.00 N ATOM 1016 NH2 ARG A 66 2.742 -2.886 -11.770 1.00 23.20 N ATOM 0 H ARG A 66 5.411 -0.544 -5.202 1.00 51.40 H new ATOM 0 HA ARG A 66 5.477 0.841 -7.663 1.00 43.30 H new ATOM 0 HB2 ARG A 66 3.603 -1.032 -6.238 1.00 2.51 H new ATOM 0 HB3 ARG A 66 3.012 -0.183 -7.653 1.00 2.51 H new ATOM 0 HG2 ARG A 66 4.792 -1.130 -9.033 1.00 45.20 H new ATOM 0 HG3 ARG A 66 5.543 -1.865 -7.631 1.00 45.20 H new ATOM 0 HD2 ARG A 66 4.341 -3.699 -8.225 1.00 23.30 H new ATOM 0 HD3 ARG A 66 3.024 -2.890 -7.400 1.00 23.30 H new ATOM 0 HE ARG A 66 1.952 -2.599 -9.437 1.00 62.50 H new ATOM 0 HH11 ARG A 66 5.394 -3.203 -9.978 1.00 44.00 H new ATOM 0 HH12 ARG A 66 5.217 -3.292 -11.734 1.00 44.00 H new ATOM 0 HH21 ARG A 66 1.741 -2.714 -11.681 1.00 23.20 H new ATOM 0 HH22 ARG A 66 3.157 -3.017 -12.693 1.00 23.20 H new ATOM 1030 N ALA A 67 3.554 2.084 -5.329 1.00 61.20 N ATOM 1031 CA ALA A 67 2.734 3.232 -4.965 1.00 53.50 C ATOM 1032 C ALA A 67 3.474 4.540 -5.223 1.00 1.14 C ATOM 1033 O ALA A 67 2.980 5.415 -5.934 1.00 23.40 O ATOM 1034 CB ALA A 67 2.315 3.140 -3.505 1.00 42.40 C ATOM 0 H ALA A 67 3.781 1.464 -4.551 1.00 61.20 H new ATOM 0 HA ALA A 67 1.841 3.221 -5.590 1.00 53.50 H new ATOM 0 HB1 ALA A 67 1.703 4.004 -3.247 1.00 42.40 H new ATOM 0 HB2 ALA A 67 1.739 2.228 -3.348 1.00 42.40 H new ATOM 0 HB3 ALA A 67 3.202 3.122 -2.872 1.00 42.40 H new ATOM 1040 N GLU A 68 4.663 4.666 -4.641 1.00 30.20 N ATOM 1041 CA GLU A 68 5.473 5.868 -4.809 1.00 51.40 C ATOM 1042 C GLU A 68 5.763 6.129 -6.284 1.00 55.00 C ATOM 1043 O GLU A 68 5.914 7.276 -6.703 1.00 61.00 O ATOM 1044 CB GLU A 68 6.786 5.735 -4.035 1.00 3.21 C ATOM 1045 CG GLU A 68 7.529 4.439 -4.315 1.00 3.31 C ATOM 1046 CD GLU A 68 8.924 4.427 -3.721 1.00 3.01 C ATOM 1047 OE1 GLU A 68 9.632 5.449 -3.847 1.00 13.30 O ATOM 1048 OE2 GLU A 68 9.309 3.396 -3.130 1.00 1.21 O ATOM 0 H GLU A 68 5.087 3.951 -4.049 1.00 30.20 H new ATOM 0 HA GLU A 68 4.909 6.713 -4.414 1.00 51.40 H new ATOM 0 HB2 GLU A 68 7.432 6.576 -4.286 1.00 3.21 H new ATOM 0 HB3 GLU A 68 6.577 5.801 -2.967 1.00 3.21 H new ATOM 0 HG2 GLU A 68 6.959 3.603 -3.911 1.00 3.31 H new ATOM 0 HG3 GLU A 68 7.596 4.288 -5.392 1.00 3.31 H new ATOM 1055 N LYS A 69 5.838 5.057 -7.066 1.00 51.20 N ATOM 1056 CA LYS A 69 6.109 5.171 -8.494 1.00 33.00 C ATOM 1057 C LYS A 69 4.904 5.744 -9.233 1.00 13.40 C ATOM 1058 O LYS A 69 5.052 6.422 -10.250 1.00 63.20 O ATOM 1059 CB LYS A 69 6.476 3.804 -9.076 1.00 24.40 C ATOM 1060 CG LYS A 69 7.214 3.886 -10.400 1.00 14.10 C ATOM 1061 CD LYS A 69 6.881 2.704 -11.290 1.00 52.10 C ATOM 1062 CE LYS A 69 7.718 2.714 -12.560 1.00 2.34 C ATOM 1063 NZ LYS A 69 9.037 2.051 -12.360 1.00 62.20 N ATOM 0 H LYS A 69 5.715 4.100 -6.735 1.00 51.20 H new ATOM 0 HA LYS A 69 6.950 5.852 -8.625 1.00 33.00 H new ATOM 0 HB2 LYS A 69 7.095 3.267 -8.357 1.00 24.40 H new ATOM 0 HB3 LYS A 69 5.566 3.220 -9.212 1.00 24.40 H new ATOM 0 HG2 LYS A 69 6.950 4.813 -10.909 1.00 14.10 H new ATOM 0 HG3 LYS A 69 8.288 3.916 -10.219 1.00 14.10 H new ATOM 0 HD2 LYS A 69 7.054 1.776 -10.745 1.00 52.10 H new ATOM 0 HD3 LYS A 69 5.823 2.728 -11.549 1.00 52.10 H new ATOM 0 HE2 LYS A 69 7.174 2.208 -13.357 1.00 2.34 H new ATOM 0 HE3 LYS A 69 7.874 3.743 -12.884 1.00 2.34 H new ATOM 0 HZ1 LYS A 69 9.578 2.078 -13.248 1.00 62.20 H new ATOM 0 HZ2 LYS A 69 9.567 2.549 -11.617 1.00 62.20 H new ATOM 0 HZ3 LYS A 69 8.889 1.062 -12.075 1.00 62.20 H new ATOM 1077 N LEU A 70 3.711 5.469 -8.715 1.00 65.10 N ATOM 1078 CA LEU A 70 2.481 5.958 -9.326 1.00 5.50 C ATOM 1079 C LEU A 70 2.257 7.430 -8.995 1.00 51.30 C ATOM 1080 O LEU A 70 2.015 8.246 -9.884 1.00 21.20 O ATOM 1081 CB LEU A 70 1.286 5.129 -8.850 1.00 41.10 C ATOM 1082 CG LEU A 70 1.364 3.636 -9.174 1.00 21.20 C ATOM 1083 CD1 LEU A 70 0.685 2.818 -8.086 1.00 24.00 C ATOM 1084 CD2 LEU A 70 0.733 3.352 -10.520 1.00 45.30 C ATOM 0 H LEU A 70 3.570 4.910 -7.873 1.00 65.10 H new ATOM 0 HA LEU A 70 2.577 5.858 -10.407 1.00 5.50 H new ATOM 0 HB2 LEU A 70 1.188 5.246 -7.771 1.00 41.10 H new ATOM 0 HB3 LEU A 70 0.379 5.536 -9.298 1.00 41.10 H new ATOM 0 HG LEU A 70 2.414 3.348 -9.217 1.00 21.20 H new ATOM 0 HD11 LEU A 70 0.750 1.758 -8.333 1.00 24.00 H new ATOM 0 HD12 LEU A 70 1.180 2.999 -7.132 1.00 24.00 H new ATOM 0 HD13 LEU A 70 -0.363 3.109 -8.012 1.00 24.00 H new ATOM 0 HD21 LEU A 70 0.797 2.285 -10.734 1.00 45.30 H new ATOM 0 HD22 LEU A 70 -0.314 3.656 -10.503 1.00 45.30 H new ATOM 0 HD23 LEU A 70 1.260 3.910 -11.294 1.00 45.30 H new ATOM 1096 N LYS A 71 2.341 7.762 -7.711 1.00 4.22 N ATOM 1097 CA LYS A 71 2.148 9.136 -7.263 1.00 65.00 C ATOM 1098 C LYS A 71 3.180 10.064 -7.896 1.00 31.10 C ATOM 1099 O LYS A 71 2.902 11.236 -8.151 1.00 14.10 O ATOM 1100 CB LYS A 71 2.240 9.215 -5.738 1.00 14.40 C ATOM 1101 CG LYS A 71 1.284 10.223 -5.123 1.00 11.40 C ATOM 1102 CD LYS A 71 1.735 10.643 -3.733 1.00 23.40 C ATOM 1103 CE LYS A 71 0.565 11.118 -2.887 1.00 54.20 C ATOM 1104 NZ LYS A 71 1.002 12.035 -1.798 1.00 1.33 N ATOM 0 H LYS A 71 2.541 7.098 -6.963 1.00 4.22 H new ATOM 0 HA LYS A 71 1.155 9.459 -7.577 1.00 65.00 H new ATOM 0 HB2 LYS A 71 2.036 8.230 -5.318 1.00 14.40 H new ATOM 0 HB3 LYS A 71 3.260 9.476 -5.457 1.00 14.40 H new ATOM 0 HG2 LYS A 71 1.217 11.101 -5.765 1.00 11.40 H new ATOM 0 HG3 LYS A 71 0.285 9.791 -5.067 1.00 11.40 H new ATOM 0 HD2 LYS A 71 2.225 9.804 -3.239 1.00 23.40 H new ATOM 0 HD3 LYS A 71 2.474 11.440 -3.815 1.00 23.40 H new ATOM 0 HE2 LYS A 71 -0.159 11.628 -3.523 1.00 54.20 H new ATOM 0 HE3 LYS A 71 0.057 10.256 -2.454 1.00 54.20 H new ATOM 0 HZ1 LYS A 71 0.174 12.336 -1.245 1.00 1.33 H new ATOM 0 HZ2 LYS A 71 1.673 11.541 -1.176 1.00 1.33 H new ATOM 0 HZ3 LYS A 71 1.464 12.870 -2.212 1.00 1.33 H new ATOM 1118 N ASP A 72 4.372 9.533 -8.146 1.00 13.10 N ATOM 1119 CA ASP A 72 5.446 10.313 -8.749 1.00 2.31 C ATOM 1120 C ASP A 72 5.231 10.465 -10.250 1.00 24.30 C ATOM 1121 O ASP A 72 5.613 11.474 -10.840 1.00 35.20 O ATOM 1122 CB ASP A 72 6.799 9.652 -8.480 1.00 43.10 C ATOM 1123 CG ASP A 72 7.961 10.599 -8.707 1.00 42.10 C ATOM 1124 OD1 ASP A 72 7.893 11.748 -8.223 1.00 52.10 O ATOM 1125 OD2 ASP A 72 8.939 10.191 -9.368 1.00 63.50 O ATOM 0 H ASP A 72 4.619 8.565 -7.940 1.00 13.10 H new ATOM 0 HA ASP A 72 5.438 11.305 -8.297 1.00 2.31 H new ATOM 0 HB2 ASP A 72 6.825 9.289 -7.452 1.00 43.10 H new ATOM 0 HB3 ASP A 72 6.911 8.783 -9.128 1.00 43.10 H new ATOM 1130 N TYR A 73 4.616 9.457 -10.860 1.00 52.50 N ATOM 1131 CA TYR A 73 4.350 9.478 -12.290 1.00 13.20 C ATOM 1132 C TYR A 73 3.460 10.661 -12.660 1.00 64.20 C ATOM 1133 O TYR A 73 3.707 11.351 -13.650 1.00 1.23 O ATOM 1134 CB TYR A 73 3.688 8.170 -12.730 1.00 41.20 C ATOM 1135 CG TYR A 73 3.409 8.097 -14.210 1.00 70.30 C ATOM 1136 CD1 TYR A 73 4.441 7.920 -15.120 1.00 15.20 C ATOM 1137 CD2 TYR A 73 2.113 8.205 -14.700 1.00 64.50 C ATOM 1138 CE1 TYR A 73 4.191 7.853 -16.480 1.00 4.10 C ATOM 1139 CE2 TYR A 73 1.854 8.139 -16.060 1.00 63.10 C ATOM 1140 CZ TYR A 73 2.896 7.963 -16.940 1.00 55.10 C ATOM 1141 OH TYR A 73 2.642 7.896 -18.290 1.00 21.40 O ATOM 0 H TYR A 73 4.293 8.615 -10.384 1.00 52.50 H new ATOM 0 HA TYR A 73 5.303 9.585 -12.808 1.00 13.20 H new ATOM 0 HB2 TYR A 73 4.331 7.336 -12.449 1.00 41.20 H new ATOM 0 HB3 TYR A 73 2.751 8.047 -12.187 1.00 41.20 H new ATOM 0 HD1 TYR A 73 5.456 7.833 -14.762 1.00 15.20 H new ATOM 0 HD2 TYR A 73 1.294 8.343 -14.010 1.00 64.50 H new ATOM 0 HE1 TYR A 73 5.005 7.715 -17.176 1.00 4.10 H new ATOM 0 HE2 TYR A 73 0.842 8.225 -16.426 1.00 63.10 H new ATOM 0 HH TYR A 73 1.679 7.990 -18.447 1.00 21.40 H new ATOM 1151 N LEU A 74 2.424 10.888 -11.860 1.00 54.00 N ATOM 1152 CA LEU A 74 1.497 11.987 -12.100 1.00 51.00 C ATOM 1153 C LEU A 74 2.020 13.285 -11.500 1.00 11.50 C ATOM 1154 O LEU A 74 1.910 14.352 -12.100 1.00 72.00 O ATOM 1155 CB LEU A 74 0.120 11.658 -11.520 1.00 25.50 C ATOM 1156 CG LEU A 74 -0.410 10.264 -11.860 1.00 54.30 C ATOM 1157 CD1 LEU A 74 -1.221 9.703 -10.710 1.00 44.00 C ATOM 1158 CD2 LEU A 74 -1.248 10.310 -13.130 1.00 4.22 C ATOM 0 H LEU A 74 2.205 10.324 -11.039 1.00 54.00 H new ATOM 0 HA LEU A 74 1.406 12.121 -13.178 1.00 51.00 H new ATOM 0 HB2 LEU A 74 0.166 11.758 -10.436 1.00 25.50 H new ATOM 0 HB3 LEU A 74 -0.595 12.399 -11.878 1.00 25.50 H new ATOM 0 HG LEU A 74 0.442 9.606 -12.030 1.00 54.30 H new ATOM 0 HD11 LEU A 74 -1.588 8.711 -10.973 1.00 44.00 H new ATOM 0 HD12 LEU A 74 -0.593 9.633 -9.822 1.00 44.00 H new ATOM 0 HD13 LEU A 74 -2.066 10.360 -10.506 1.00 44.00 H new ATOM 0 HD21 LEU A 74 -1.618 9.310 -13.358 1.00 4.22 H new ATOM 0 HD22 LEU A 74 -2.092 10.985 -12.985 1.00 4.22 H new ATOM 0 HD23 LEU A 74 -0.635 10.668 -13.957 1.00 4.22 H new ATOM 1170 N ARG A 75 2.590 13.185 -10.300 1.00 65.10 N ATOM 1171 CA ARG A 75 3.131 14.351 -9.616 1.00 14.40 C ATOM 1172 C ARG A 75 4.237 15.004 -10.430 1.00 44.10 C ATOM 1173 O ARG A 75 4.425 16.220 -10.390 1.00 32.30 O ATOM 1174 CB ARG A 75 3.669 13.953 -8.240 1.00 23.20 C ATOM 1175 CG ARG A 75 4.129 15.135 -7.402 1.00 21.00 C ATOM 1176 CD ARG A 75 3.048 15.582 -6.430 1.00 24.10 C ATOM 1177 NE ARG A 75 3.067 17.028 -6.219 1.00 62.10 N ATOM 1178 CZ ARG A 75 2.472 17.635 -5.195 1.00 11.10 C ATOM 1179 NH1 ARG A 75 1.812 16.927 -4.287 1.00 13.50 N ATOM 1180 NH2 ARG A 75 2.537 18.955 -5.078 1.00 71.30 N ATOM 0 H ARG A 75 2.687 12.310 -9.785 1.00 65.10 H new ATOM 0 HA ARG A 75 2.323 15.072 -9.495 1.00 14.40 H new ATOM 0 HB2 ARG A 75 2.892 13.414 -7.697 1.00 23.20 H new ATOM 0 HB3 ARG A 75 4.504 13.264 -8.371 1.00 23.20 H new ATOM 0 HG2 ARG A 75 5.028 14.862 -6.849 1.00 21.00 H new ATOM 0 HG3 ARG A 75 4.397 15.964 -8.057 1.00 21.00 H new ATOM 0 HD2 ARG A 75 2.071 15.284 -6.811 1.00 24.10 H new ATOM 0 HD3 ARG A 75 3.186 15.074 -5.475 1.00 24.10 H new ATOM 0 HE ARG A 75 3.565 17.606 -6.896 1.00 62.10 H new ATOM 0 HH11 ARG A 75 1.759 15.912 -4.372 1.00 13.50 H new ATOM 0 HH12 ARG A 75 1.358 17.398 -3.504 1.00 13.50 H new ATOM 0 HH21 ARG A 75 3.043 19.504 -5.773 1.00 71.30 H new ATOM 0 HH22 ARG A 75 2.081 19.421 -4.293 1.00 71.30 H new TER 1194 ARG A 75 ATOM 1195 N GLU B 115 9.858 -4.244 8.526 1.00 71.40 N ATOM 1196 CA GLU B 115 8.458 -3.835 8.505 1.00 63.00 C ATOM 1197 C GLU B 115 8.324 -2.341 8.779 1.00 61.40 C ATOM 1198 O GLU B 115 7.410 -1.686 8.277 1.00 72.30 O ATOM 1199 CB GLU B 115 7.657 -4.629 9.538 1.00 1.10 C ATOM 1200 CG GLU B 115 6.165 -4.666 9.254 1.00 3.43 C ATOM 1201 CD GLU B 115 5.329 -4.609 10.517 1.00 32.00 C ATOM 1202 OE1 GLU B 115 5.605 -5.395 11.448 1.00 5.52 O ATOM 1203 OE2 GLU B 115 4.398 -3.778 10.577 1.00 51.30 O ATOM 0 HA GLU B 115 8.060 -4.041 7.511 1.00 63.00 H new ATOM 0 HB2 GLU B 115 8.037 -5.650 9.573 1.00 1.10 H new ATOM 0 HB3 GLU B 115 7.820 -4.194 10.524 1.00 1.10 H new ATOM 0 HG2 GLU B 115 5.901 -3.827 8.610 1.00 3.43 H new ATOM 0 HG3 GLU B 115 5.926 -5.577 8.705 1.00 3.43 H new ATOM 1210 N ASP B 116 9.240 -1.807 9.580 1.00 63.30 N ATOM 1211 CA ASP B 116 9.224 -0.389 9.922 1.00 33.00 C ATOM 1212 C ASP B 116 9.602 0.467 8.717 1.00 14.10 C ATOM 1213 O ASP B 116 9.147 1.603 8.583 1.00 12.30 O ATOM 1214 CB ASP B 116 10.185 -0.112 11.080 1.00 55.10 C ATOM 1215 CG ASP B 116 9.669 0.966 12.013 1.00 15.10 C ATOM 1216 OD1 ASP B 116 8.659 0.719 12.706 1.00 20.10 O ATOM 1217 OD2 ASP B 116 10.275 2.057 12.053 1.00 62.00 O ATOM 0 H ASP B 116 10.003 -2.335 10.005 1.00 63.30 H new ATOM 0 HA ASP B 116 8.211 -0.126 10.227 1.00 33.00 H new ATOM 0 HB2 ASP B 116 10.345 -1.031 11.644 1.00 55.10 H new ATOM 0 HB3 ASP B 116 11.153 0.190 10.681 1.00 55.10 H new ATOM 1222 N GLN B 117 10.437 -0.086 7.843 1.00 51.20 N ATOM 1223 CA GLN B 117 10.876 0.628 6.649 1.00 71.00 C ATOM 1224 C GLN B 117 9.686 1.015 5.776 1.00 15.50 C ATOM 1225 O GLN B 117 9.448 2.196 5.523 1.00 51.20 O ATOM 1226 CB GLN B 117 11.853 -0.232 5.846 1.00 2.23 C ATOM 1227 CG GLN B 117 13.045 -0.717 6.656 1.00 11.00 C ATOM 1228 CD GLN B 117 14.247 0.197 6.527 1.00 4.32 C ATOM 1229 OE1 GLN B 117 14.793 0.375 5.438 1.00 41.30 O ATOM 1230 NE2 GLN B 117 14.668 0.783 7.643 1.00 32.40 N ATOM 0 H GLN B 117 10.823 -1.025 7.939 1.00 51.20 H new ATOM 0 HA GLN B 117 11.381 1.540 6.967 1.00 71.00 H new ATOM 0 HB2 GLN B 117 11.321 -1.095 5.446 1.00 2.23 H new ATOM 0 HB3 GLN B 117 12.214 0.343 4.993 1.00 2.23 H new ATOM 0 HG2 GLN B 117 12.761 -0.791 7.706 1.00 11.00 H new ATOM 0 HG3 GLN B 117 13.319 -1.720 6.328 1.00 11.00 H new ATOM 0 HE21 GLN B 117 14.186 0.607 8.524 1.00 32.40 H new ATOM 0 HE22 GLN B 117 15.473 1.408 7.618 1.00 32.40 H new ATOM 1239 N LEU B 118 8.943 0.013 5.319 1.00 65.20 N ATOM 1240 CA LEU B 118 7.778 0.249 4.474 1.00 62.10 C ATOM 1241 C LEU B 118 6.629 0.844 5.283 1.00 31.20 C ATOM 1242 O LEU B 118 5.807 1.592 4.753 1.00 61.10 O ATOM 1243 CB LEU B 118 7.329 -1.055 3.811 1.00 43.30 C ATOM 1244 CG LEU B 118 6.784 -2.116 4.768 1.00 71.30 C ATOM 1245 CD1 LEU B 118 5.684 -2.924 4.098 1.00 42.40 C ATOM 1246 CD2 LEU B 118 7.904 -3.029 5.244 1.00 52.40 C ATOM 0 H LEU B 118 9.127 -0.970 5.519 1.00 65.20 H new ATOM 0 HA LEU B 118 8.061 0.963 3.700 1.00 62.10 H new ATOM 0 HB2 LEU B 118 6.560 -0.824 3.074 1.00 43.30 H new ATOM 0 HB3 LEU B 118 8.174 -1.478 3.268 1.00 43.30 H new ATOM 0 HG LEU B 118 6.359 -1.612 5.636 1.00 71.30 H new ATOM 0 HD11 LEU B 118 5.308 -3.674 4.794 1.00 42.40 H new ATOM 0 HD12 LEU B 118 4.871 -2.260 3.807 1.00 42.40 H new ATOM 0 HD13 LEU B 118 6.084 -3.418 3.213 1.00 42.40 H new ATOM 0 HD21 LEU B 118 7.499 -3.778 5.924 1.00 52.40 H new ATOM 0 HD22 LEU B 118 8.358 -3.525 4.386 1.00 52.40 H new ATOM 0 HD23 LEU B 118 8.659 -2.438 5.763 1.00 52.40 H new ATOM 1258 N SER B 119 6.578 0.508 6.568 1.00 22.20 N ATOM 1259 CA SER B 119 5.530 1.010 7.448 1.00 2.15 C ATOM 1260 C SER B 119 5.633 2.523 7.610 1.00 33.10 C ATOM 1261 O SER B 119 4.622 3.216 7.722 1.00 5.31 O ATOM 1262 CB SER B 119 5.616 0.332 8.817 1.00 71.40 C ATOM 1263 OG SER B 119 4.664 0.874 9.716 1.00 54.40 O ATOM 0 H SER B 119 7.250 -0.110 7.023 1.00 22.20 H new ATOM 0 HA SER B 119 4.567 0.776 6.994 1.00 2.15 H new ATOM 0 HB2 SER B 119 5.448 -0.739 8.707 1.00 71.40 H new ATOM 0 HB3 SER B 119 6.619 0.457 9.226 1.00 71.40 H new ATOM 0 HG SER B 119 4.739 0.423 10.583 1.00 54.40 H new ATOM 1269 N ARG B 120 6.862 3.029 7.621 1.00 72.30 N ATOM 1270 CA ARG B 120 7.097 4.461 7.769 1.00 33.20 C ATOM 1271 C ARG B 120 6.810 5.197 6.464 1.00 74.30 C ATOM 1272 O ARG B 120 6.082 6.190 6.448 1.00 14.40 O ATOM 1273 CB ARG B 120 8.540 4.719 8.207 1.00 65.10 C ATOM 1274 CG ARG B 120 8.685 5.891 9.164 1.00 32.40 C ATOM 1275 CD ARG B 120 8.598 5.439 10.613 1.00 32.40 C ATOM 1276 NE ARG B 120 9.506 6.191 11.476 1.00 65.40 N ATOM 1277 CZ ARG B 120 9.288 7.444 11.869 1.00 70.10 C ATOM 1278 NH1 ARG B 120 8.195 8.089 11.480 1.00 42.30 N ATOM 1279 NH2 ARG B 120 10.165 8.054 12.655 1.00 33.10 N ATOM 0 H ARG B 120 7.710 2.469 7.529 1.00 72.30 H new ATOM 0 HA ARG B 120 6.419 4.838 8.535 1.00 33.20 H new ATOM 0 HB2 ARG B 120 8.932 3.821 8.684 1.00 65.10 H new ATOM 0 HB3 ARG B 120 9.151 4.904 7.324 1.00 65.10 H new ATOM 0 HG2 ARG B 120 9.641 6.386 8.993 1.00 32.40 H new ATOM 0 HG3 ARG B 120 7.905 6.625 8.963 1.00 32.40 H new ATOM 0 HD2 ARG B 120 7.575 5.560 10.970 1.00 32.40 H new ATOM 0 HD3 ARG B 120 8.834 4.377 10.676 1.00 32.40 H new ATOM 0 HE ARG B 120 10.357 5.729 11.796 1.00 65.40 H new ATOM 0 HH11 ARG B 120 7.516 7.625 10.877 1.00 42.30 H new ATOM 0 HH12 ARG B 120 8.034 9.049 11.785 1.00 42.30 H new ATOM 0 HH21 ARG B 120 11.006 7.563 12.958 1.00 33.10 H new ATOM 0 HH22 ARG B 120 9.998 9.014 12.956 1.00 33.10 H new ATOM 1293 N ARG B 121 7.387 4.705 5.373 1.00 4.23 N ATOM 1294 CA ARG B 121 7.192 5.316 4.064 1.00 65.20 C ATOM 1295 C ARG B 121 5.719 5.298 3.668 1.00 51.10 C ATOM 1296 O ARG B 121 5.242 6.196 2.974 1.00 13.10 O ATOM 1297 CB ARG B 121 8.025 4.586 3.008 1.00 21.30 C ATOM 1298 CG ARG B 121 9.509 4.535 3.332 1.00 51.20 C ATOM 1299 CD ARG B 121 10.156 3.274 2.782 1.00 71.10 C ATOM 1300 NE ARG B 121 10.686 3.474 1.435 1.00 5.45 N ATOM 1301 CZ ARG B 121 11.419 2.572 0.786 1.00 20.40 C ATOM 1302 NH1 ARG B 121 11.711 1.409 1.355 1.00 22.10 N ATOM 1303 NH2 ARG B 121 11.861 2.834 -0.437 1.00 44.30 N ATOM 0 H ARG B 121 7.993 3.885 5.370 1.00 4.23 H new ATOM 0 HA ARG B 121 7.521 6.354 4.123 1.00 65.20 H new ATOM 0 HB2 ARG B 121 7.650 3.568 2.901 1.00 21.30 H new ATOM 0 HB3 ARG B 121 7.889 5.079 2.045 1.00 21.30 H new ATOM 0 HG2 ARG B 121 10.004 5.411 2.914 1.00 51.20 H new ATOM 0 HG3 ARG B 121 9.648 4.575 4.412 1.00 51.20 H new ATOM 0 HD2 ARG B 121 10.962 2.961 3.446 1.00 71.10 H new ATOM 0 HD3 ARG B 121 9.423 2.467 2.767 1.00 71.10 H new ATOM 0 HE ARG B 121 10.482 4.356 0.965 1.00 5.45 H new ATOM 0 HH11 ARG B 121 11.373 1.202 2.295 1.00 22.10 H new ATOM 0 HH12 ARG B 121 12.273 0.722 0.852 1.00 22.10 H new ATOM 0 HH21 ARG B 121 11.639 3.726 -0.879 1.00 44.30 H new ATOM 0 HH22 ARG B 121 12.423 2.144 -0.935 1.00 44.30 H new ATOM 1317 N LEU B 122 5.004 4.271 4.114 1.00 34.20 N ATOM 1318 CA LEU B 122 3.585 4.136 3.806 1.00 62.30 C ATOM 1319 C LEU B 122 2.770 5.208 4.522 1.00 44.30 C ATOM 1320 O LEU B 122 1.892 5.834 3.927 1.00 14.10 O ATOM 1321 CB LEU B 122 3.085 2.747 4.206 1.00 52.00 C ATOM 1322 CG LEU B 122 1.600 2.492 3.940 1.00 33.50 C ATOM 1323 CD1 LEU B 122 1.365 1.035 3.575 1.00 13.40 C ATOM 1324 CD2 LEU B 122 0.768 2.880 5.154 1.00 42.30 C ATOM 0 H LEU B 122 5.384 3.520 4.690 1.00 34.20 H new ATOM 0 HA LEU B 122 3.457 4.265 2.731 1.00 62.30 H new ATOM 0 HB2 LEU B 122 3.668 1.999 3.669 1.00 52.00 H new ATOM 0 HB3 LEU B 122 3.279 2.600 5.269 1.00 52.00 H new ATOM 0 HG LEU B 122 1.290 3.110 3.098 1.00 33.50 H new ATOM 0 HD11 LEU B 122 0.303 0.873 3.389 1.00 13.40 H new ATOM 0 HD12 LEU B 122 1.932 0.789 2.677 1.00 13.40 H new ATOM 0 HD13 LEU B 122 1.691 0.397 4.396 1.00 13.40 H new ATOM 0 HD21 LEU B 122 -0.286 2.692 4.948 1.00 42.30 H new ATOM 0 HD22 LEU B 122 1.081 2.288 6.014 1.00 42.30 H new ATOM 0 HD23 LEU B 122 0.912 3.938 5.371 1.00 42.30 H new ATOM 1336 N ALA B 123 3.065 5.415 5.801 1.00 62.30 N ATOM 1337 CA ALA B 123 2.360 6.411 6.597 1.00 73.10 C ATOM 1338 C ALA B 123 2.523 7.806 6.001 1.00 52.30 C ATOM 1339 O ALA B 123 1.634 8.649 6.118 1.00 0.31 O ATOM 1340 CB ALA B 123 2.858 6.388 8.034 1.00 32.00 C ATOM 0 H ALA B 123 3.788 4.905 6.308 1.00 62.30 H new ATOM 0 HA ALA B 123 1.299 6.162 6.588 1.00 73.10 H new ATOM 0 HB1 ALA B 123 2.322 7.137 8.617 1.00 32.00 H new ATOM 0 HB2 ALA B 123 2.684 5.402 8.464 1.00 32.00 H new ATOM 0 HB3 ALA B 123 3.925 6.609 8.053 1.00 32.00 H new ATOM 1346 N ALA B 124 3.664 8.041 5.362 1.00 61.30 N ATOM 1347 CA ALA B 124 3.944 9.333 4.748 1.00 73.30 C ATOM 1348 C ALA B 124 3.142 9.516 3.465 1.00 54.20 C ATOM 1349 O ALA B 124 2.734 10.627 3.129 1.00 4.10 O ATOM 1350 CB ALA B 124 5.432 9.472 4.467 1.00 71.20 C ATOM 0 H ALA B 124 4.410 7.353 5.256 1.00 61.30 H new ATOM 0 HA ALA B 124 3.643 10.113 5.448 1.00 73.30 H new ATOM 0 HB1 ALA B 124 5.627 10.442 4.008 1.00 71.20 H new ATOM 0 HB2 ALA B 124 5.988 9.394 5.402 1.00 71.20 H new ATOM 0 HB3 ALA B 124 5.750 8.680 3.789 1.00 71.20 H new ATOM 1356 N LEU B 125 2.920 8.417 2.750 1.00 0.33 N ATOM 1357 CA LEU B 125 2.166 8.456 1.503 1.00 55.30 C ATOM 1358 C LEU B 125 0.745 8.958 1.740 1.00 65.30 C ATOM 1359 O LEU B 125 0.301 9.917 1.109 1.00 1.12 O ATOM 1360 CB LEU B 125 2.128 7.068 0.861 1.00 12.40 C ATOM 1361 CG LEU B 125 2.172 7.059 -0.668 1.00 50.00 C ATOM 1362 CD1 LEU B 125 3.610 7.027 -1.161 1.00 1.43 C ATOM 1363 CD2 LEU B 125 1.392 5.873 -1.215 1.00 34.00 C ATOM 0 H LEU B 125 3.252 7.489 3.013 1.00 0.33 H new ATOM 0 HA LEU B 125 2.668 9.148 0.827 1.00 55.30 H new ATOM 0 HB2 LEU B 125 2.971 6.488 1.237 1.00 12.40 H new ATOM 0 HB3 LEU B 125 1.221 6.559 1.186 1.00 12.40 H new ATOM 0 HG LEU B 125 1.706 7.975 -1.032 1.00 50.00 H new ATOM 0 HD11 LEU B 125 3.621 7.021 -2.251 1.00 1.43 H new ATOM 0 HD12 LEU B 125 4.139 7.908 -0.798 1.00 1.43 H new ATOM 0 HD13 LEU B 125 4.103 6.129 -0.788 1.00 1.43 H new ATOM 0 HD21 LEU B 125 1.433 5.881 -2.304 1.00 34.00 H new ATOM 0 HD22 LEU B 125 1.829 4.947 -0.842 1.00 34.00 H new ATOM 0 HD23 LEU B 125 0.353 5.940 -0.891 1.00 34.00 H new ATOM 1375 N ARG B 126 0.037 8.304 2.655 1.00 12.10 N ATOM 1376 CA ARG B 126 -1.333 8.684 2.977 1.00 5.13 C ATOM 1377 C ARG B 126 -1.392 10.112 3.508 1.00 33.10 C ATOM 1378 O ARG B 126 -2.230 10.908 3.085 1.00 44.20 O ATOM 1379 CB ARG B 126 -1.923 7.720 4.008 1.00 52.10 C ATOM 1380 CG ARG B 126 -1.188 7.727 5.338 1.00 5.41 C ATOM 1381 CD ARG B 126 -1.693 6.628 6.259 1.00 63.30 C ATOM 1382 NE ARG B 126 -1.655 7.031 7.663 1.00 3.30 N ATOM 1383 CZ ARG B 126 -1.858 6.195 8.679 1.00 4.11 C ATOM 1384 NH1 ARG B 126 -2.114 4.913 8.453 1.00 41.20 N ATOM 1385 NH2 ARG B 126 -1.805 6.644 9.926 1.00 42.10 N ATOM 0 H ARG B 126 0.390 7.508 3.187 1.00 12.10 H new ATOM 0 HA ARG B 126 -1.922 8.632 2.061 1.00 5.13 H new ATOM 0 HB2 ARG B 126 -2.968 7.979 4.179 1.00 52.10 H new ATOM 0 HB3 ARG B 126 -1.907 6.710 3.599 1.00 52.10 H new ATOM 0 HG2 ARG B 126 -0.120 7.596 5.165 1.00 5.41 H new ATOM 0 HG3 ARG B 126 -1.317 8.696 5.821 1.00 5.41 H new ATOM 0 HD2 ARG B 126 -2.715 6.366 5.984 1.00 63.30 H new ATOM 0 HD3 ARG B 126 -1.086 5.733 6.122 1.00 63.30 H new ATOM 0 HE ARG B 126 -1.462 8.009 7.877 1.00 3.30 H new ATOM 0 HH11 ARG B 126 -2.156 4.562 7.496 1.00 41.20 H new ATOM 0 HH12 ARG B 126 -2.269 4.278 9.236 1.00 41.20 H new ATOM 0 HH21 ARG B 126 -1.609 7.629 10.106 1.00 42.10 H new ATOM 0 HH22 ARG B 126 -1.960 6.005 10.705 1.00 42.10 H new ATOM 1399 N ASN B 127 -0.496 10.430 4.436 1.00 61.20 N ATOM 1400 CA ASN B 127 -0.445 11.764 5.025 1.00 61.00 C ATOM 1401 C ASN B 127 0.378 12.711 4.158 1.00 15.40 C ATOM 1402 O ASN B 127 1.618 12.719 4.305 1.00 75.40 O ATOM 1403 CB ASN B 127 0.147 11.700 6.434 1.00 30.00 C ATOM 1404 CG ASN B 127 -0.472 12.721 7.368 1.00 63.00 C ATOM 1405 OD1 ASN B 127 -0.387 13.927 7.132 1.00 13.00 O ATOM 1406 ND2 ASN B 127 -1.098 12.243 8.437 1.00 30.00 N ATOM 1407 OXT ASN B 127 -0.225 13.435 3.338 1.00 37.60 O ATOM 0 H ASN B 127 0.205 9.783 4.797 1.00 61.20 H new ATOM 0 HA ASN B 127 -1.464 12.147 5.083 1.00 61.00 H new ATOM 0 HB2 ASN B 127 -0.002 10.701 6.843 1.00 30.00 H new ATOM 0 HB3 ASN B 127 1.223 11.866 6.381 1.00 30.00 H new ATOM 0 HD21 ASN B 127 -1.533 12.883 9.102 1.00 30.00 H new ATOM 0 HD22 ASN B 127 -1.144 11.236 8.593 1.00 30.00 H new TER 1414 ASN B 127