USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 954 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 Single : A 1 MET CE :methyl -152:sc= -0.375 (180deg=-1.3!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.812 K(o=-0.81,f=-4.4!) USER MOD Single : A 7 TYR OH : rot -126:sc= 1.18 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 11 GLN : amide:sc= -2.64! K(o=-2.6!,f=-0.077) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.3) USER MOD Single : A 29 ASN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc=-0.00845 (180deg=-0.131) USER MOD Single : A 40 LYS NZ :NH3+ 140:sc= -0.23 (180deg=-0.639) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -106:sc= 1.19 (180deg=0.42) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= 0.861 (180deg=0.529) USER MOD Single : A 55 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.012) USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.04) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00572 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 75 THR OG1 : rot 71:sc= 0.654 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -164:sc= -0.55 (180deg=-0.873) USER MOD Single : A 84 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 85 TYR OH : rot -151:sc= 1.1 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -1.04 K(o=-1,f=0.1) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.015) USER MOD Single : A 114 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.130 -19.523 12.387 1.00 34.21 N ATOM 2 CA MET A 1 2.381 -19.173 11.672 1.00 73.30 C ATOM 3 C MET A 1 2.541 -17.657 11.585 1.00 23.03 C ATOM 4 O MET A 1 3.594 -17.113 11.917 1.00 14.11 O ATOM 5 CB MET A 1 2.375 -19.803 10.271 1.00 62.44 C ATOM 6 CG MET A 1 3.644 -19.564 9.463 1.00 22.35 C ATOM 7 SD MET A 1 3.637 -17.986 8.590 1.00 21.54 S ATOM 8 CE MET A 1 2.206 -18.192 7.527 1.00 22.33 C ATOM 0 H1 MET A 1 1.037 -20.558 12.437 1.00 34.21 H new ATOM 0 H2 MET A 1 1.159 -19.131 13.350 1.00 34.21 H new ATOM 0 H3 MET A 1 0.316 -19.126 11.876 1.00 34.21 H new ATOM 0 HA MET A 1 3.230 -19.569 12.229 1.00 73.30 H new ATOM 0 HB2 MET A 1 2.220 -20.877 10.371 1.00 62.44 H new ATOM 0 HB3 MET A 1 1.525 -19.409 9.713 1.00 62.44 H new ATOM 0 HG2 MET A 1 4.505 -19.600 10.130 1.00 22.35 H new ATOM 0 HG3 MET A 1 3.766 -20.372 8.741 1.00 22.35 H new ATOM 0 HE1 MET A 1 2.334 -17.594 6.625 1.00 22.33 H new ATOM 0 HE2 MET A 1 2.103 -19.242 7.254 1.00 22.33 H new ATOM 0 HE3 MET A 1 1.310 -17.865 8.055 1.00 22.33 H new ATOM 20 N ALA A 2 1.490 -16.977 11.150 1.00 34.43 N ATOM 21 CA ALA A 2 1.507 -15.526 11.044 1.00 64.30 C ATOM 22 C ALA A 2 0.348 -14.928 11.831 1.00 31.03 C ATOM 23 O ALA A 2 -0.172 -13.867 11.489 1.00 1.40 O ATOM 24 CB ALA A 2 1.429 -15.109 9.583 1.00 23.54 C ATOM 0 H ALA A 2 0.612 -17.409 10.864 1.00 34.43 H new ATOM 0 HA ALA A 2 2.440 -15.151 11.464 1.00 64.30 H new ATOM 0 HB1 ALA A 2 1.442 -14.021 9.514 1.00 23.54 H new ATOM 0 HB2 ALA A 2 2.283 -15.517 9.042 1.00 23.54 H new ATOM 0 HB3 ALA A 2 0.506 -15.489 9.145 1.00 23.54 H new ATOM 30 N GLU A 3 -0.028 -15.601 12.912 1.00 54.11 N ATOM 31 CA GLU A 3 -1.200 -15.211 13.685 1.00 15.54 C ATOM 32 C GLU A 3 -0.825 -14.283 14.837 1.00 11.33 C ATOM 33 O GLU A 3 -1.648 -13.984 15.702 1.00 4.52 O ATOM 34 CB GLU A 3 -1.903 -16.453 14.231 1.00 2.02 C ATOM 35 CG GLU A 3 -2.282 -17.461 13.160 1.00 42.01 C ATOM 36 CD GLU A 3 -3.172 -16.865 12.092 1.00 42.42 C ATOM 37 OE1 GLU A 3 -4.367 -16.642 12.373 1.00 22.33 O ATOM 38 OE2 GLU A 3 -2.682 -16.620 10.968 1.00 2.44 O ATOM 0 H GLU A 3 0.462 -16.420 13.273 1.00 54.11 H new ATOM 0 HA GLU A 3 -1.874 -14.671 13.020 1.00 15.54 H new ATOM 0 HB2 GLU A 3 -1.252 -16.937 14.959 1.00 2.02 H new ATOM 0 HB3 GLU A 3 -2.803 -16.146 14.763 1.00 2.02 H new ATOM 0 HG2 GLU A 3 -1.376 -17.852 12.697 1.00 42.01 H new ATOM 0 HG3 GLU A 3 -2.792 -18.305 13.624 1.00 42.01 H new ATOM 45 N LYS A 4 0.420 -13.829 14.846 1.00 14.11 N ATOM 46 CA LYS A 4 0.892 -12.926 15.890 1.00 15.01 C ATOM 47 C LYS A 4 1.758 -11.812 15.308 1.00 12.04 C ATOM 48 O LYS A 4 1.664 -10.659 15.730 1.00 30.55 O ATOM 49 CB LYS A 4 1.666 -13.700 16.965 1.00 64.10 C ATOM 50 CG LYS A 4 2.847 -14.494 16.430 1.00 24.23 C ATOM 51 CD LYS A 4 3.565 -15.239 17.541 1.00 11.22 C ATOM 52 CE LYS A 4 4.769 -15.993 17.009 1.00 24.23 C ATOM 53 NZ LYS A 4 5.462 -16.753 18.078 1.00 74.23 N ATOM 0 H LYS A 4 1.121 -14.069 14.145 1.00 14.11 H new ATOM 0 HA LYS A 4 0.018 -12.467 16.353 1.00 15.01 H new ATOM 0 HB2 LYS A 4 2.025 -12.996 17.716 1.00 64.10 H new ATOM 0 HB3 LYS A 4 0.982 -14.382 17.469 1.00 64.10 H new ATOM 0 HG2 LYS A 4 2.499 -15.204 15.680 1.00 24.23 H new ATOM 0 HG3 LYS A 4 3.544 -13.820 15.932 1.00 24.23 H new ATOM 0 HD2 LYS A 4 3.885 -14.533 18.308 1.00 11.22 H new ATOM 0 HD3 LYS A 4 2.877 -15.937 18.017 1.00 11.22 H new ATOM 0 HE2 LYS A 4 4.450 -16.679 16.224 1.00 24.23 H new ATOM 0 HE3 LYS A 4 5.466 -15.289 16.554 1.00 24.23 H new ATOM 0 HZ1 LYS A 4 6.279 -17.254 17.674 1.00 74.23 H new ATOM 0 HZ2 LYS A 4 5.789 -16.096 18.815 1.00 74.23 H new ATOM 0 HZ3 LYS A 4 4.805 -17.442 18.496 1.00 74.23 H new ATOM 67 N ASN A 5 2.595 -12.160 14.338 1.00 35.41 N ATOM 68 CA ASN A 5 3.452 -11.187 13.673 1.00 23.52 C ATOM 69 C ASN A 5 3.894 -11.746 12.326 1.00 32.24 C ATOM 70 O ASN A 5 3.664 -12.928 12.047 1.00 54.03 O ATOM 71 CB ASN A 5 4.678 -10.851 14.536 1.00 11.41 C ATOM 72 CG ASN A 5 5.433 -9.637 14.020 1.00 50.34 C ATOM 73 OD1 ASN A 5 4.840 -8.733 13.432 1.00 5.53 O ATOM 74 ND2 ASN A 5 6.742 -9.621 14.199 1.00 65.00 N ATOM 0 H ASN A 5 2.698 -13.114 13.993 1.00 35.41 H new ATOM 0 HA ASN A 5 2.888 -10.267 13.522 1.00 23.52 H new ATOM 0 HB2 ASN A 5 4.358 -10.668 15.562 1.00 11.41 H new ATOM 0 HB3 ASN A 5 5.349 -11.710 14.560 1.00 11.41 H new ATOM 0 HD21 ASN A 5 7.296 -8.841 13.845 1.00 65.00 H new ATOM 0 HD22 ASN A 5 7.199 -10.389 14.692 1.00 65.00 H new ATOM 81 N ALA A 6 4.529 -10.904 11.509 1.00 24.24 N ATOM 82 CA ALA A 6 4.950 -11.280 10.161 1.00 4.32 C ATOM 83 C ALA A 6 3.747 -11.706 9.330 1.00 31.01 C ATOM 84 O ALA A 6 3.635 -12.859 8.910 1.00 53.44 O ATOM 85 CB ALA A 6 6.007 -12.376 10.201 1.00 42.32 C ATOM 0 H ALA A 6 4.765 -9.945 11.764 1.00 24.24 H new ATOM 0 HA ALA A 6 5.401 -10.408 9.687 1.00 4.32 H new ATOM 0 HB1 ALA A 6 6.301 -12.635 9.184 1.00 42.32 H new ATOM 0 HB2 ALA A 6 6.878 -12.021 10.751 1.00 42.32 H new ATOM 0 HB3 ALA A 6 5.599 -13.257 10.696 1.00 42.32 H new ATOM 91 N TYR A 7 2.841 -10.759 9.124 1.00 32.31 N ATOM 92 CA TYR A 7 1.596 -11.016 8.413 1.00 65.15 C ATOM 93 C TYR A 7 1.834 -11.087 6.910 1.00 5.43 C ATOM 94 O TYR A 7 2.960 -10.947 6.432 1.00 22.24 O ATOM 95 CB TYR A 7 0.582 -9.894 8.669 1.00 25.23 C ATOM 96 CG TYR A 7 0.387 -9.493 10.117 1.00 43.53 C ATOM 97 CD1 TYR A 7 -0.488 -10.182 10.946 1.00 22.10 C ATOM 98 CD2 TYR A 7 1.056 -8.393 10.640 1.00 3.31 C ATOM 99 CE1 TYR A 7 -0.694 -9.781 12.255 1.00 73.13 C ATOM 100 CE2 TYR A 7 0.862 -7.992 11.946 1.00 35.42 C ATOM 101 CZ TYR A 7 -0.013 -8.687 12.749 1.00 23.24 C ATOM 102 OH TYR A 7 -0.219 -8.274 14.044 1.00 20.42 O ATOM 0 H TYR A 7 2.948 -9.796 9.443 1.00 32.31 H new ATOM 0 HA TYR A 7 1.210 -11.967 8.779 1.00 65.15 H new ATOM 0 HB2 TYR A 7 0.895 -9.014 8.108 1.00 25.23 H new ATOM 0 HB3 TYR A 7 -0.382 -10.203 8.265 1.00 25.23 H new ATOM 0 HD1 TYR A 7 -1.016 -11.043 10.564 1.00 22.10 H new ATOM 0 HD2 TYR A 7 1.741 -7.842 10.013 1.00 3.31 H new ATOM 0 HE1 TYR A 7 -1.384 -10.321 12.886 1.00 73.13 H new ATOM 0 HE2 TYR A 7 1.394 -7.137 12.336 1.00 35.42 H new ATOM 0 HH TYR A 7 -0.465 -7.325 14.050 1.00 20.42 H new ATOM 112 N THR A 8 0.757 -11.295 6.171 1.00 42.05 N ATOM 113 CA THR A 8 0.785 -11.141 4.733 1.00 45.33 C ATOM 114 C THR A 8 0.677 -9.661 4.385 1.00 63.42 C ATOM 115 O THR A 8 0.381 -8.835 5.253 1.00 11.14 O ATOM 116 CB THR A 8 -0.363 -11.915 4.066 1.00 45.10 C ATOM 117 OG1 THR A 8 -1.592 -11.650 4.758 1.00 71.22 O ATOM 118 CG2 THR A 8 -0.083 -13.410 4.059 1.00 10.11 C ATOM 0 H THR A 8 -0.149 -11.572 6.549 1.00 42.05 H new ATOM 0 HA THR A 8 1.726 -11.546 4.360 1.00 45.33 H new ATOM 0 HB THR A 8 -0.448 -11.581 3.032 1.00 45.10 H new ATOM 0 HG1 THR A 8 -2.322 -12.144 4.329 1.00 71.22 H new ATOM 0 HG21 THR A 8 -0.911 -13.933 3.581 1.00 10.11 H new ATOM 0 HG22 THR A 8 0.836 -13.605 3.507 1.00 10.11 H new ATOM 0 HG23 THR A 8 0.027 -13.764 5.084 1.00 10.11 H new ATOM 126 N VAL A 9 0.898 -9.322 3.123 1.00 42.31 N ATOM 127 CA VAL A 9 0.855 -7.932 2.697 1.00 60.53 C ATOM 128 C VAL A 9 -0.566 -7.373 2.829 1.00 41.42 C ATOM 129 O VAL A 9 -0.758 -6.167 3.002 1.00 13.12 O ATOM 130 CB VAL A 9 1.374 -7.770 1.247 1.00 63.30 C ATOM 131 CG1 VAL A 9 0.460 -8.457 0.246 1.00 24.01 C ATOM 132 CG2 VAL A 9 1.561 -6.303 0.892 1.00 71.24 C ATOM 0 H VAL A 9 1.108 -9.988 2.379 1.00 42.31 H new ATOM 0 HA VAL A 9 1.515 -7.361 3.351 1.00 60.53 H new ATOM 0 HB VAL A 9 2.347 -8.258 1.194 1.00 63.30 H new ATOM 0 HG11 VAL A 9 0.856 -8.322 -0.761 1.00 24.01 H new ATOM 0 HG12 VAL A 9 0.405 -9.521 0.475 1.00 24.01 H new ATOM 0 HG13 VAL A 9 -0.537 -8.021 0.305 1.00 24.01 H new ATOM 0 HG21 VAL A 9 1.926 -6.220 -0.132 1.00 71.24 H new ATOM 0 HG22 VAL A 9 0.607 -5.783 0.980 1.00 71.24 H new ATOM 0 HG23 VAL A 9 2.284 -5.853 1.573 1.00 71.24 H new ATOM 142 N ALA A 10 -1.554 -8.263 2.770 1.00 31.24 N ATOM 143 CA ALA A 10 -2.945 -7.880 2.958 1.00 44.35 C ATOM 144 C ALA A 10 -3.232 -7.592 4.428 1.00 22.25 C ATOM 145 O ALA A 10 -3.801 -6.554 4.767 1.00 61.43 O ATOM 146 CB ALA A 10 -3.871 -8.972 2.439 1.00 53.22 C ATOM 0 H ALA A 10 -1.413 -9.257 2.593 1.00 31.24 H new ATOM 0 HA ALA A 10 -3.129 -6.969 2.389 1.00 44.35 H new ATOM 0 HB1 ALA A 10 -4.908 -8.670 2.587 1.00 53.22 H new ATOM 0 HB2 ALA A 10 -3.687 -9.130 1.376 1.00 53.22 H new ATOM 0 HB3 ALA A 10 -3.682 -9.898 2.982 1.00 53.22 H new ATOM 152 N GLN A 11 -2.816 -8.507 5.302 1.00 42.43 N ATOM 153 CA GLN A 11 -3.054 -8.372 6.738 1.00 63.42 C ATOM 154 C GLN A 11 -2.283 -7.195 7.326 1.00 70.10 C ATOM 155 O GLN A 11 -2.643 -6.675 8.382 1.00 64.30 O ATOM 156 CB GLN A 11 -2.667 -9.655 7.473 1.00 41.41 C ATOM 157 CG GLN A 11 -3.613 -10.822 7.238 1.00 62.42 C ATOM 158 CD GLN A 11 -4.838 -10.807 8.139 1.00 54.30 C ATOM 159 OE1 GLN A 11 -5.353 -11.862 8.509 1.00 30.21 O ATOM 160 NE2 GLN A 11 -5.328 -9.627 8.488 1.00 42.43 N ATOM 0 H GLN A 11 -2.310 -9.353 5.039 1.00 42.43 H new ATOM 0 HA GLN A 11 -4.120 -8.187 6.872 1.00 63.42 H new ATOM 0 HB2 GLN A 11 -1.664 -9.948 7.164 1.00 41.41 H new ATOM 0 HB3 GLN A 11 -2.623 -9.448 8.542 1.00 41.41 H new ATOM 0 HG2 GLN A 11 -3.938 -10.811 6.198 1.00 62.42 H new ATOM 0 HG3 GLN A 11 -3.071 -11.755 7.393 1.00 62.42 H new ATOM 0 HE21 GLN A 11 -4.877 -8.771 8.164 1.00 42.43 H new ATOM 0 HE22 GLN A 11 -6.156 -9.574 9.081 1.00 42.43 H new ATOM 169 N LEU A 12 -1.217 -6.781 6.648 1.00 53.21 N ATOM 170 CA LEU A 12 -0.445 -5.623 7.075 1.00 74.31 C ATOM 171 C LEU A 12 -1.317 -4.372 7.059 1.00 70.31 C ATOM 172 O LEU A 12 -1.126 -3.454 7.856 1.00 35.12 O ATOM 173 CB LEU A 12 0.774 -5.424 6.169 1.00 42.24 C ATOM 174 CG LEU A 12 1.709 -4.283 6.582 1.00 10.01 C ATOM 175 CD1 LEU A 12 2.303 -4.549 7.956 1.00 31.51 C ATOM 176 CD2 LEU A 12 2.812 -4.097 5.554 1.00 1.11 C ATOM 0 H LEU A 12 -0.870 -7.231 5.801 1.00 53.21 H new ATOM 0 HA LEU A 12 -0.097 -5.799 8.093 1.00 74.31 H new ATOM 0 HB2 LEU A 12 1.346 -6.352 6.146 1.00 42.24 H new ATOM 0 HB3 LEU A 12 0.426 -5.239 5.153 1.00 42.24 H new ATOM 0 HG LEU A 12 1.125 -3.364 6.631 1.00 10.01 H new ATOM 0 HD11 LEU A 12 2.964 -3.728 8.232 1.00 31.51 H new ATOM 0 HD12 LEU A 12 1.501 -4.631 8.689 1.00 31.51 H new ATOM 0 HD13 LEU A 12 2.870 -5.479 7.933 1.00 31.51 H new ATOM 0 HD21 LEU A 12 3.466 -3.282 5.865 1.00 1.11 H new ATOM 0 HD22 LEU A 12 3.392 -5.016 5.472 1.00 1.11 H new ATOM 0 HD23 LEU A 12 2.371 -3.859 4.586 1.00 1.11 H new ATOM 188 N ALA A 13 -2.286 -4.352 6.148 1.00 11.12 N ATOM 189 CA ALA A 13 -3.223 -3.243 6.050 1.00 11.50 C ATOM 190 C ALA A 13 -4.121 -3.191 7.280 1.00 21.43 C ATOM 191 O ALA A 13 -4.389 -2.116 7.817 1.00 54.43 O ATOM 192 CB ALA A 13 -4.056 -3.365 4.785 1.00 21.34 C ATOM 0 H ALA A 13 -2.441 -5.095 5.466 1.00 11.12 H new ATOM 0 HA ALA A 13 -2.655 -2.314 6.002 1.00 11.50 H new ATOM 0 HB1 ALA A 13 -4.752 -2.528 4.726 1.00 21.34 H new ATOM 0 HB2 ALA A 13 -3.400 -3.353 3.915 1.00 21.34 H new ATOM 0 HB3 ALA A 13 -4.614 -4.301 4.806 1.00 21.34 H new ATOM 198 N ASP A 14 -4.569 -4.364 7.723 1.00 44.14 N ATOM 199 CA ASP A 14 -5.397 -4.474 8.923 1.00 34.44 C ATOM 200 C ASP A 14 -4.627 -3.974 10.139 1.00 61.52 C ATOM 201 O ASP A 14 -5.162 -3.263 10.987 1.00 23.50 O ATOM 202 CB ASP A 14 -5.831 -5.928 9.160 1.00 22.10 C ATOM 203 CG ASP A 14 -6.700 -6.486 8.051 1.00 61.15 C ATOM 204 OD1 ASP A 14 -6.151 -7.052 7.085 1.00 45.13 O ATOM 205 OD2 ASP A 14 -7.941 -6.384 8.151 1.00 1.51 O ATOM 0 H ASP A 14 -4.372 -5.255 7.267 1.00 44.14 H new ATOM 0 HA ASP A 14 -6.286 -3.862 8.775 1.00 34.44 H new ATOM 0 HB2 ASP A 14 -4.943 -6.552 9.264 1.00 22.10 H new ATOM 0 HB3 ASP A 14 -6.375 -5.988 10.103 1.00 22.10 H new ATOM 210 N GLU A 15 -3.361 -4.350 10.204 1.00 2.40 N ATOM 211 CA GLU A 15 -2.486 -3.944 11.294 1.00 40.21 C ATOM 212 C GLU A 15 -2.242 -2.436 11.264 1.00 41.15 C ATOM 213 O GLU A 15 -2.295 -1.766 12.294 1.00 41.32 O ATOM 214 CB GLU A 15 -1.161 -4.709 11.185 1.00 72.20 C ATOM 215 CG GLU A 15 -0.095 -4.286 12.185 1.00 31.41 C ATOM 216 CD GLU A 15 -0.520 -4.460 13.627 1.00 64.33 C ATOM 217 OE1 GLU A 15 -0.915 -5.581 14.011 1.00 44.21 O ATOM 218 OE2 GLU A 15 -0.417 -3.482 14.400 1.00 45.13 O ATOM 0 H GLU A 15 -2.911 -4.943 9.507 1.00 2.40 H new ATOM 0 HA GLU A 15 -2.964 -4.181 12.244 1.00 40.21 H new ATOM 0 HB2 GLU A 15 -1.360 -5.773 11.316 1.00 72.20 H new ATOM 0 HB3 GLU A 15 -0.765 -4.580 10.178 1.00 72.20 H new ATOM 0 HG2 GLU A 15 0.810 -4.868 12.008 1.00 31.41 H new ATOM 0 HG3 GLU A 15 0.160 -3.240 12.013 1.00 31.41 H new ATOM 225 N TYR A 16 -1.992 -1.906 10.076 1.00 4.23 N ATOM 226 CA TYR A 16 -1.652 -0.497 9.924 1.00 64.33 C ATOM 227 C TYR A 16 -2.853 0.418 10.172 1.00 10.02 C ATOM 228 O TYR A 16 -2.743 1.419 10.890 1.00 1.34 O ATOM 229 CB TYR A 16 -1.077 -0.234 8.529 1.00 25.32 C ATOM 230 CG TYR A 16 -0.745 1.219 8.274 1.00 4.31 C ATOM 231 CD1 TYR A 16 0.425 1.784 8.769 1.00 54.41 C ATOM 232 CD2 TYR A 16 -1.601 2.030 7.537 1.00 1.33 C ATOM 233 CE1 TYR A 16 0.728 3.113 8.538 1.00 35.14 C ATOM 234 CE2 TYR A 16 -1.303 3.357 7.303 1.00 32.10 C ATOM 235 CZ TYR A 16 -0.139 3.894 7.804 1.00 32.34 C ATOM 236 OH TYR A 16 0.157 5.217 7.571 1.00 1.35 O ATOM 0 H TYR A 16 -2.018 -2.430 9.201 1.00 4.23 H new ATOM 0 HA TYR A 16 -0.900 -0.266 10.678 1.00 64.33 H new ATOM 0 HB2 TYR A 16 -0.175 -0.832 8.398 1.00 25.32 H new ATOM 0 HB3 TYR A 16 -1.794 -0.571 7.780 1.00 25.32 H new ATOM 0 HD1 TYR A 16 1.108 1.175 9.343 1.00 54.41 H new ATOM 0 HD2 TYR A 16 -2.515 1.614 7.141 1.00 1.33 H new ATOM 0 HE1 TYR A 16 1.640 3.538 8.931 1.00 35.14 H new ATOM 0 HE2 TYR A 16 -1.981 3.972 6.729 1.00 32.10 H new ATOM 0 HH TYR A 16 -0.558 5.623 7.037 1.00 1.35 H new ATOM 246 N PHE A 17 -3.999 0.090 9.580 1.00 12.43 N ATOM 247 CA PHE A 17 -5.153 0.985 9.637 1.00 11.43 C ATOM 248 C PHE A 17 -5.683 1.079 11.066 1.00 44.30 C ATOM 249 O PHE A 17 -6.183 2.120 11.483 1.00 20.33 O ATOM 250 CB PHE A 17 -6.266 0.535 8.668 1.00 1.31 C ATOM 251 CG PHE A 17 -7.360 -0.291 9.292 1.00 34.54 C ATOM 252 CD1 PHE A 17 -7.202 -1.647 9.489 1.00 41.01 C ATOM 253 CD2 PHE A 17 -8.552 0.304 9.680 1.00 14.02 C ATOM 254 CE1 PHE A 17 -8.206 -2.400 10.066 1.00 44.40 C ATOM 255 CE2 PHE A 17 -9.559 -0.443 10.256 1.00 12.12 C ATOM 256 CZ PHE A 17 -9.386 -1.798 10.448 1.00 13.11 C ATOM 0 H PHE A 17 -4.153 -0.775 9.063 1.00 12.43 H new ATOM 0 HA PHE A 17 -4.825 1.975 9.321 1.00 11.43 H new ATOM 0 HB2 PHE A 17 -6.713 1.421 8.216 1.00 1.31 H new ATOM 0 HB3 PHE A 17 -5.813 -0.040 7.861 1.00 1.31 H new ATOM 0 HD1 PHE A 17 -6.282 -2.126 9.188 1.00 41.01 H new ATOM 0 HD2 PHE A 17 -8.693 1.364 9.529 1.00 14.02 H new ATOM 0 HE1 PHE A 17 -8.067 -3.460 10.218 1.00 44.40 H new ATOM 0 HE2 PHE A 17 -10.481 0.032 10.556 1.00 12.12 H new ATOM 0 HZ PHE A 17 -10.173 -2.386 10.897 1.00 13.11 H new ATOM 266 N GLU A 18 -5.526 0.000 11.823 1.00 21.21 N ATOM 267 CA GLU A 18 -6.008 -0.058 13.196 1.00 22.02 C ATOM 268 C GLU A 18 -5.276 0.954 14.072 1.00 35.53 C ATOM 269 O GLU A 18 -5.774 1.370 15.117 1.00 3.04 O ATOM 270 CB GLU A 18 -5.814 -1.471 13.749 1.00 54.31 C ATOM 271 CG GLU A 18 -7.054 -2.050 14.410 1.00 1.12 C ATOM 272 CD GLU A 18 -7.506 -1.254 15.617 1.00 61.01 C ATOM 273 OE1 GLU A 18 -6.924 -1.441 16.706 1.00 1.23 O ATOM 274 OE2 GLU A 18 -8.445 -0.445 15.485 1.00 4.31 O ATOM 0 H GLU A 18 -5.065 -0.853 11.505 1.00 21.21 H new ATOM 0 HA GLU A 18 -7.069 0.192 13.204 1.00 22.02 H new ATOM 0 HB2 GLU A 18 -5.507 -2.129 12.937 1.00 54.31 H new ATOM 0 HB3 GLU A 18 -5.000 -1.458 14.474 1.00 54.31 H new ATOM 0 HG2 GLU A 18 -7.864 -2.087 13.682 1.00 1.12 H new ATOM 0 HG3 GLU A 18 -6.851 -3.077 14.714 1.00 1.12 H new ATOM 281 N ARG A 19 -4.091 1.358 13.641 1.00 13.02 N ATOM 282 CA ARG A 19 -3.267 2.250 14.442 1.00 64.41 C ATOM 283 C ARG A 19 -3.397 3.694 13.964 1.00 20.20 C ATOM 284 O ARG A 19 -3.587 4.607 14.765 1.00 1.30 O ATOM 285 CB ARG A 19 -1.796 1.822 14.390 1.00 24.01 C ATOM 286 CG ARG A 19 -1.579 0.315 14.441 1.00 53.35 C ATOM 287 CD ARG A 19 -2.297 -0.334 15.617 1.00 53.53 C ATOM 288 NE ARG A 19 -2.054 -1.776 15.666 1.00 42.51 N ATOM 289 CZ ARG A 19 -2.629 -2.615 16.525 1.00 72.44 C ATOM 290 NH1 ARG A 19 -3.552 -2.189 17.379 1.00 54.31 N ATOM 291 NH2 ARG A 19 -2.296 -3.894 16.503 1.00 72.13 N ATOM 0 H ARG A 19 -3.681 1.085 12.748 1.00 13.02 H new ATOM 0 HA ARG A 19 -3.620 2.189 15.471 1.00 64.41 H new ATOM 0 HB2 ARG A 19 -1.349 2.211 13.475 1.00 24.01 H new ATOM 0 HB3 ARG A 19 -1.266 2.282 15.224 1.00 24.01 H new ATOM 0 HG2 ARG A 19 -1.932 -0.132 13.512 1.00 53.35 H new ATOM 0 HG3 ARG A 19 -0.511 0.106 14.510 1.00 53.35 H new ATOM 0 HD2 ARG A 19 -1.961 0.124 16.547 1.00 53.53 H new ATOM 0 HD3 ARG A 19 -3.368 -0.147 15.538 1.00 53.53 H new ATOM 0 HE ARG A 19 -1.396 -2.167 14.992 1.00 42.51 H new ATOM 0 HH11 ARG A 19 -3.829 -1.207 17.383 1.00 54.31 H new ATOM 0 HH12 ARG A 19 -3.984 -2.843 18.031 1.00 54.31 H new ATOM 0 HH21 ARG A 19 -1.605 -4.230 15.832 1.00 72.13 H new ATOM 0 HH22 ARG A 19 -2.730 -4.545 17.157 1.00 72.13 H new ATOM 305 N MET A 20 -3.304 3.895 12.654 1.00 64.11 N ATOM 306 CA MET A 20 -3.265 5.247 12.090 1.00 62.13 C ATOM 307 C MET A 20 -4.652 5.744 11.684 1.00 53.02 C ATOM 308 O MET A 20 -4.921 6.943 11.702 1.00 44.40 O ATOM 309 CB MET A 20 -2.331 5.283 10.877 1.00 30.33 C ATOM 310 CG MET A 20 -0.897 4.879 11.187 1.00 34.35 C ATOM 311 SD MET A 20 -0.086 5.994 12.346 1.00 30.35 S ATOM 312 CE MET A 20 1.540 5.247 12.453 1.00 24.51 C ATOM 0 H MET A 20 -3.254 3.146 11.963 1.00 64.11 H new ATOM 0 HA MET A 20 -2.890 5.911 12.869 1.00 62.13 H new ATOM 0 HB2 MET A 20 -2.726 4.620 10.108 1.00 30.33 H new ATOM 0 HB3 MET A 20 -2.332 6.290 10.461 1.00 30.33 H new ATOM 0 HG2 MET A 20 -0.891 3.869 11.598 1.00 34.35 H new ATOM 0 HG3 MET A 20 -0.325 4.849 10.259 1.00 34.35 H new ATOM 0 HE1 MET A 20 2.162 5.825 13.136 1.00 24.51 H new ATOM 0 HE2 MET A 20 1.448 4.226 12.823 1.00 24.51 H new ATOM 0 HE3 MET A 20 2.001 5.235 11.465 1.00 24.51 H new ATOM 322 N ILE A 21 -5.533 4.818 11.342 1.00 52.30 N ATOM 323 CA ILE A 21 -6.867 5.157 10.856 1.00 71.41 C ATOM 324 C ILE A 21 -7.884 4.895 11.966 1.00 74.30 C ATOM 325 O ILE A 21 -9.046 4.572 11.727 1.00 24.03 O ATOM 326 CB ILE A 21 -7.197 4.345 9.579 1.00 23.31 C ATOM 327 CG1 ILE A 21 -6.020 4.420 8.599 1.00 31.35 C ATOM 328 CG2 ILE A 21 -8.461 4.867 8.911 1.00 25.24 C ATOM 329 CD1 ILE A 21 -6.269 3.713 7.284 1.00 21.10 C ATOM 0 H ILE A 21 -5.349 3.816 11.392 1.00 52.30 H new ATOM 0 HA ILE A 21 -6.907 6.213 10.589 1.00 71.41 H new ATOM 0 HB ILE A 21 -7.367 3.307 9.866 1.00 23.31 H new ATOM 0 HG12 ILE A 21 -5.793 5.467 8.400 1.00 31.35 H new ATOM 0 HG13 ILE A 21 -5.139 3.987 9.072 1.00 31.35 H new ATOM 0 HG21 ILE A 21 -8.669 4.279 8.017 1.00 25.24 H new ATOM 0 HG22 ILE A 21 -9.299 4.785 9.603 1.00 25.24 H new ATOM 0 HG23 ILE A 21 -8.321 5.912 8.634 1.00 25.24 H new ATOM 0 HD11 ILE A 21 -5.391 3.811 6.646 1.00 21.10 H new ATOM 0 HD12 ILE A 21 -6.466 2.657 7.470 1.00 21.10 H new ATOM 0 HD13 ILE A 21 -7.130 4.161 6.788 1.00 21.10 H new ATOM 341 N ALA A 22 -7.424 5.044 13.198 1.00 51.43 N ATOM 342 CA ALA A 22 -8.283 4.892 14.360 1.00 13.34 C ATOM 343 C ALA A 22 -8.458 6.220 15.088 1.00 64.31 C ATOM 344 O ALA A 22 -8.997 6.269 16.195 1.00 63.10 O ATOM 345 CB ALA A 22 -7.715 3.844 15.297 1.00 73.40 C ATOM 0 H ALA A 22 -6.455 5.271 13.419 1.00 51.43 H new ATOM 0 HA ALA A 22 -9.265 4.564 14.019 1.00 13.34 H new ATOM 0 HB1 ALA A 22 -8.367 3.739 16.164 1.00 73.40 H new ATOM 0 HB2 ALA A 22 -7.647 2.889 14.776 1.00 73.40 H new ATOM 0 HB3 ALA A 22 -6.722 4.150 15.625 1.00 73.40 H new ATOM 351 N GLY A 23 -8.000 7.296 14.458 1.00 65.34 N ATOM 352 CA GLY A 23 -8.152 8.620 15.032 1.00 54.15 C ATOM 353 C GLY A 23 -9.384 9.317 14.500 1.00 61.24 C ATOM 354 O GLY A 23 -10.505 9.015 14.914 1.00 20.02 O ATOM 0 H GLY A 23 -7.524 7.274 13.556 1.00 65.34 H new ATOM 0 HA2 GLY A 23 -8.217 8.542 16.117 1.00 54.15 H new ATOM 0 HA3 GLY A 23 -7.269 9.218 14.808 1.00 54.15 H new ATOM 358 N ARG A 24 -9.187 10.235 13.570 1.00 22.32 N ATOM 359 CA ARG A 24 -10.301 10.889 12.912 1.00 51.25 C ATOM 360 C ARG A 24 -10.191 10.668 11.410 1.00 32.41 C ATOM 361 O ARG A 24 -9.502 11.404 10.703 1.00 52.40 O ATOM 362 CB ARG A 24 -10.345 12.387 13.254 1.00 30.44 C ATOM 363 CG ARG A 24 -11.611 13.101 12.778 1.00 71.20 C ATOM 364 CD ARG A 24 -11.515 13.532 11.321 1.00 72.20 C ATOM 365 NE ARG A 24 -12.808 13.923 10.764 1.00 64.44 N ATOM 366 CZ ARG A 24 -13.033 14.078 9.457 1.00 23.21 C ATOM 367 NH1 ARG A 24 -12.046 13.905 8.584 1.00 12.11 N ATOM 368 NH2 ARG A 24 -14.241 14.405 9.020 1.00 34.10 N ATOM 0 H ARG A 24 -8.267 10.543 13.255 1.00 22.32 H new ATOM 0 HA ARG A 24 -11.235 10.454 13.269 1.00 51.25 H new ATOM 0 HB2 ARG A 24 -10.259 12.504 14.334 1.00 30.44 H new ATOM 0 HB3 ARG A 24 -9.477 12.875 12.811 1.00 30.44 H new ATOM 0 HG2 ARG A 24 -12.468 12.439 12.904 1.00 71.20 H new ATOM 0 HG3 ARG A 24 -11.789 13.976 13.403 1.00 71.20 H new ATOM 0 HD2 ARG A 24 -10.820 14.368 11.238 1.00 72.20 H new ATOM 0 HD3 ARG A 24 -11.102 12.714 10.731 1.00 72.20 H new ATOM 0 HE ARG A 24 -13.581 14.087 11.409 1.00 64.44 H new ATOM 0 HH11 ARG A 24 -11.114 13.653 8.912 1.00 12.11 H new ATOM 0 HH12 ARG A 24 -12.221 14.024 7.586 1.00 12.11 H new ATOM 0 HH21 ARG A 24 -15.004 14.539 9.683 1.00 34.10 H new ATOM 0 HH22 ARG A 24 -14.407 14.522 8.020 1.00 34.10 H new ATOM 382 N TRP A 25 -10.843 9.622 10.942 1.00 3.25 N ATOM 383 CA TRP A 25 -10.827 9.281 9.532 1.00 1.23 C ATOM 384 C TRP A 25 -12.217 9.475 8.928 1.00 13.13 C ATOM 385 O TRP A 25 -12.355 10.079 7.865 1.00 22.51 O ATOM 386 CB TRP A 25 -10.319 7.839 9.349 1.00 71.31 C ATOM 387 CG TRP A 25 -11.231 6.769 9.870 1.00 12.33 C ATOM 388 CD1 TRP A 25 -11.968 5.915 9.119 1.00 51.03 C ATOM 389 CD2 TRP A 25 -11.523 6.449 11.239 1.00 45.23 C ATOM 390 NE1 TRP A 25 -12.683 5.069 9.926 1.00 5.00 N ATOM 391 CE2 TRP A 25 -12.434 5.379 11.230 1.00 5.42 C ATOM 392 CE3 TRP A 25 -11.100 6.954 12.469 1.00 35.24 C ATOM 393 CZ2 TRP A 25 -12.929 4.806 12.396 1.00 4.02 C ATOM 394 CZ3 TRP A 25 -11.595 6.386 13.627 1.00 10.51 C ATOM 395 CH2 TRP A 25 -12.501 5.323 13.582 1.00 11.30 C ATOM 0 H TRP A 25 -11.394 8.989 11.522 1.00 3.25 H new ATOM 0 HA TRP A 25 -10.144 9.945 9.003 1.00 1.23 H new ATOM 0 HB2 TRP A 25 -10.149 7.663 8.287 1.00 71.31 H new ATOM 0 HB3 TRP A 25 -9.354 7.745 9.847 1.00 71.31 H new ATOM 0 HD1 TRP A 25 -11.989 5.903 8.039 1.00 51.03 H new ATOM 0 HE1 TRP A 25 -13.303 4.326 9.603 1.00 5.00 H new ATOM 0 HE3 TRP A 25 -10.398 7.774 12.515 1.00 35.24 H new ATOM 0 HZ2 TRP A 25 -13.627 3.982 12.363 1.00 4.02 H new ATOM 0 HZ3 TRP A 25 -11.276 6.771 14.584 1.00 10.51 H new ATOM 0 HH2 TRP A 25 -12.870 4.903 14.506 1.00 11.30 H new ATOM 406 N LYS A 26 -13.233 8.990 9.648 1.00 60.22 N ATOM 407 CA LYS A 26 -14.637 9.114 9.254 1.00 40.23 C ATOM 408 C LYS A 26 -14.968 8.279 8.019 1.00 12.51 C ATOM 409 O LYS A 26 -14.160 8.155 7.098 1.00 33.25 O ATOM 410 CB LYS A 26 -15.024 10.580 9.038 1.00 2.14 C ATOM 411 CG LYS A 26 -16.106 11.051 9.994 1.00 3.21 C ATOM 412 CD LYS A 26 -15.734 10.741 11.435 1.00 34.53 C ATOM 413 CE LYS A 26 -16.880 11.020 12.389 1.00 4.42 C ATOM 414 NZ LYS A 26 -16.555 10.581 13.772 1.00 74.33 N ATOM 0 H LYS A 26 -13.101 8.495 10.530 1.00 60.22 H new ATOM 0 HA LYS A 26 -15.231 8.719 10.079 1.00 40.23 H new ATOM 0 HB2 LYS A 26 -14.140 11.206 9.160 1.00 2.14 H new ATOM 0 HB3 LYS A 26 -15.369 10.712 8.013 1.00 2.14 H new ATOM 0 HG2 LYS A 26 -16.258 12.124 9.877 1.00 3.21 H new ATOM 0 HG3 LYS A 26 -17.051 10.567 9.746 1.00 3.21 H new ATOM 0 HD2 LYS A 26 -15.440 9.694 11.517 1.00 34.53 H new ATOM 0 HD3 LYS A 26 -14.869 11.338 11.723 1.00 34.53 H new ATOM 0 HE2 LYS A 26 -17.105 12.087 12.388 1.00 4.42 H new ATOM 0 HE3 LYS A 26 -17.776 10.505 12.044 1.00 4.42 H new ATOM 0 HZ1 LYS A 26 -17.359 10.786 14.399 1.00 74.33 H new ATOM 0 HZ2 LYS A 26 -16.365 9.559 13.776 1.00 74.33 H new ATOM 0 HZ3 LYS A 26 -15.714 11.091 14.110 1.00 74.33 H new ATOM 428 N HIS A 27 -16.170 7.708 8.026 1.00 43.13 N ATOM 429 CA HIS A 27 -16.641 6.839 6.946 1.00 23.34 C ATOM 430 C HIS A 27 -15.612 5.736 6.664 1.00 34.22 C ATOM 431 O HIS A 27 -15.006 5.701 5.592 1.00 62.22 O ATOM 432 CB HIS A 27 -16.907 7.666 5.680 1.00 3.03 C ATOM 433 CG HIS A 27 -18.135 7.257 4.921 1.00 1.33 C ATOM 434 ND1 HIS A 27 -18.693 8.034 3.929 1.00 15.42 N ATOM 435 CD2 HIS A 27 -18.912 6.150 5.005 1.00 51.12 C ATOM 436 CE1 HIS A 27 -19.756 7.428 3.439 1.00 24.42 C ATOM 437 NE2 HIS A 27 -19.913 6.281 4.072 1.00 23.15 N ATOM 0 H HIS A 27 -16.846 7.833 8.779 1.00 43.13 H new ATOM 0 HA HIS A 27 -17.574 6.368 7.254 1.00 23.34 H new ATOM 0 HB2 HIS A 27 -16.999 8.716 5.959 1.00 3.03 H new ATOM 0 HB3 HIS A 27 -16.043 7.586 5.020 1.00 3.03 H new ATOM 0 HD2 HIS A 27 -18.771 5.319 5.680 1.00 51.12 H new ATOM 0 HE1 HIS A 27 -20.391 7.807 2.652 1.00 24.42 H new ATOM 0 HE2 HIS A 27 -20.655 5.603 3.898 1.00 23.15 H new ATOM 446 N PRO A 28 -15.416 4.817 7.634 1.00 64.05 N ATOM 447 CA PRO A 28 -14.348 3.800 7.593 1.00 25.13 C ATOM 448 C PRO A 28 -14.331 2.979 6.304 1.00 44.35 C ATOM 449 O PRO A 28 -13.271 2.543 5.850 1.00 41.33 O ATOM 450 CB PRO A 28 -14.665 2.886 8.790 1.00 42.43 C ATOM 451 CG PRO A 28 -16.046 3.247 9.220 1.00 15.14 C ATOM 452 CD PRO A 28 -16.228 4.689 8.854 1.00 73.15 C ATOM 0 HA PRO A 28 -13.366 4.272 7.633 1.00 25.13 H new ATOM 0 HB2 PRO A 28 -14.606 1.835 8.507 1.00 42.43 H new ATOM 0 HB3 PRO A 28 -13.951 3.039 9.599 1.00 42.43 H new ATOM 0 HG2 PRO A 28 -16.786 2.621 8.721 1.00 15.14 H new ATOM 0 HG3 PRO A 28 -16.173 3.097 10.292 1.00 15.14 H new ATOM 0 HD2 PRO A 28 -17.275 4.931 8.671 1.00 73.15 H new ATOM 0 HD3 PRO A 28 -15.880 5.354 9.644 1.00 73.15 H new ATOM 460 N ASN A 29 -15.506 2.771 5.717 1.00 30.21 N ATOM 461 CA ASN A 29 -15.624 1.987 4.495 1.00 23.21 C ATOM 462 C ASN A 29 -14.907 2.666 3.329 1.00 45.40 C ATOM 463 O ASN A 29 -14.321 1.998 2.476 1.00 15.30 O ATOM 464 CB ASN A 29 -17.102 1.765 4.154 1.00 51.41 C ATOM 465 CG ASN A 29 -17.299 1.166 2.777 1.00 23.25 C ATOM 466 OD1 ASN A 29 -17.256 -0.050 2.602 1.00 61.14 O ATOM 467 ND2 ASN A 29 -17.539 2.019 1.795 1.00 54.31 N ATOM 0 H ASN A 29 -16.391 3.136 6.070 1.00 30.21 H new ATOM 0 HA ASN A 29 -15.147 1.022 4.664 1.00 23.21 H new ATOM 0 HB2 ASN A 29 -17.548 1.107 4.900 1.00 51.41 H new ATOM 0 HB3 ASN A 29 -17.631 2.716 4.211 1.00 51.41 H new ATOM 0 HD21 ASN A 29 -17.697 1.675 0.848 1.00 54.31 H new ATOM 0 HD22 ASN A 29 -17.566 3.021 1.985 1.00 54.31 H new ATOM 474 N ILE A 30 -14.936 3.993 3.312 1.00 63.53 N ATOM 475 CA ILE A 30 -14.329 4.758 2.229 1.00 23.42 C ATOM 476 C ILE A 30 -12.824 4.520 2.174 1.00 32.32 C ATOM 477 O ILE A 30 -12.279 4.181 1.122 1.00 11.04 O ATOM 478 CB ILE A 30 -14.617 6.271 2.374 1.00 2.11 C ATOM 479 CG1 ILE A 30 -16.115 6.544 2.196 1.00 52.40 C ATOM 480 CG2 ILE A 30 -13.805 7.084 1.374 1.00 32.32 C ATOM 481 CD1 ILE A 30 -16.668 6.085 0.861 1.00 42.32 C ATOM 0 H ILE A 30 -15.374 4.562 4.036 1.00 63.53 H new ATOM 0 HA ILE A 30 -14.777 4.412 1.297 1.00 23.42 H new ATOM 0 HB ILE A 30 -14.319 6.579 3.376 1.00 2.11 H new ATOM 0 HG12 ILE A 30 -16.663 6.046 2.996 1.00 52.40 H new ATOM 0 HG13 ILE A 30 -16.295 7.614 2.305 1.00 52.40 H new ATOM 0 HG21 ILE A 30 -14.028 8.143 1.500 1.00 32.32 H new ATOM 0 HG22 ILE A 30 -12.742 6.914 1.545 1.00 32.32 H new ATOM 0 HG23 ILE A 30 -14.063 6.777 0.361 1.00 32.32 H new ATOM 0 HD11 ILE A 30 -17.733 6.313 0.811 1.00 42.32 H new ATOM 0 HD12 ILE A 30 -16.148 6.602 0.055 1.00 42.32 H new ATOM 0 HD13 ILE A 30 -16.521 5.010 0.757 1.00 42.32 H new ATOM 493 N VAL A 31 -12.161 4.674 3.313 1.00 42.34 N ATOM 494 CA VAL A 31 -10.722 4.484 3.377 1.00 65.41 C ATOM 495 C VAL A 31 -10.365 3.005 3.226 1.00 2.32 C ATOM 496 O VAL A 31 -9.360 2.667 2.604 1.00 14.42 O ATOM 497 CB VAL A 31 -10.122 5.061 4.684 1.00 52.41 C ATOM 498 CG1 VAL A 31 -10.654 4.344 5.914 1.00 51.21 C ATOM 499 CG2 VAL A 31 -8.604 5.014 4.647 1.00 53.02 C ATOM 0 H VAL A 31 -12.596 4.929 4.200 1.00 42.34 H new ATOM 0 HA VAL A 31 -10.283 5.035 2.545 1.00 65.41 H new ATOM 0 HB VAL A 31 -10.434 6.103 4.754 1.00 52.41 H new ATOM 0 HG11 VAL A 31 -10.209 4.778 6.809 1.00 51.21 H new ATOM 0 HG12 VAL A 31 -11.738 4.453 5.958 1.00 51.21 H new ATOM 0 HG13 VAL A 31 -10.397 3.286 5.858 1.00 51.21 H new ATOM 0 HG21 VAL A 31 -8.205 5.424 5.575 1.00 53.02 H new ATOM 0 HG22 VAL A 31 -8.275 3.981 4.535 1.00 53.02 H new ATOM 0 HG23 VAL A 31 -8.242 5.603 3.804 1.00 53.02 H new ATOM 509 N ARG A 32 -11.215 2.127 3.759 1.00 11.21 N ATOM 510 CA ARG A 32 -10.998 0.687 3.645 1.00 13.50 C ATOM 511 C ARG A 32 -10.957 0.273 2.179 1.00 22.41 C ATOM 512 O ARG A 32 -10.084 -0.489 1.765 1.00 24.11 O ATOM 513 CB ARG A 32 -12.108 -0.089 4.366 1.00 2.22 C ATOM 514 CG ARG A 32 -11.853 -1.590 4.457 1.00 63.53 C ATOM 515 CD ARG A 32 -10.715 -1.910 5.418 1.00 44.44 C ATOM 516 NE ARG A 32 -10.323 -3.321 5.370 1.00 24.23 N ATOM 517 CZ ARG A 32 -9.932 -4.024 6.433 1.00 42.30 C ATOM 518 NH1 ARG A 32 -10.009 -3.497 7.647 1.00 1.11 N ATOM 519 NH2 ARG A 32 -9.491 -5.264 6.284 1.00 54.03 N ATOM 0 H ARG A 32 -12.057 2.388 4.272 1.00 11.21 H new ATOM 0 HA ARG A 32 -10.042 0.451 4.113 1.00 13.50 H new ATOM 0 HB2 ARG A 32 -12.223 0.312 5.373 1.00 2.22 H new ATOM 0 HB3 ARG A 32 -13.051 0.079 3.847 1.00 2.22 H new ATOM 0 HG2 ARG A 32 -12.761 -2.094 4.787 1.00 63.53 H new ATOM 0 HG3 ARG A 32 -11.614 -1.979 3.467 1.00 63.53 H new ATOM 0 HD2 ARG A 32 -9.853 -1.288 5.176 1.00 44.44 H new ATOM 0 HD3 ARG A 32 -11.018 -1.654 6.433 1.00 44.44 H new ATOM 0 HE ARG A 32 -10.351 -3.795 4.467 1.00 24.23 H new ATOM 0 HH11 ARG A 32 -10.368 -2.550 7.770 1.00 1.11 H new ATOM 0 HH12 ARG A 32 -9.709 -4.038 8.458 1.00 1.11 H new ATOM 0 HH21 ARG A 32 -9.450 -5.683 5.355 1.00 54.03 H new ATOM 0 HH22 ARG A 32 -9.192 -5.800 7.099 1.00 54.03 H new ATOM 533 N SER A 33 -11.899 0.798 1.402 1.00 75.15 N ATOM 534 CA SER A 33 -11.987 0.503 -0.022 1.00 0.11 C ATOM 535 C SER A 33 -10.671 0.831 -0.725 1.00 34.23 C ATOM 536 O SER A 33 -10.112 -0.005 -1.439 1.00 3.12 O ATOM 537 CB SER A 33 -13.140 1.302 -0.644 1.00 2.40 C ATOM 538 OG SER A 33 -13.332 0.975 -2.011 1.00 1.23 O ATOM 0 H SER A 33 -12.619 1.437 1.740 1.00 75.15 H new ATOM 0 HA SER A 33 -12.181 -0.562 -0.149 1.00 0.11 H new ATOM 0 HB2 SER A 33 -14.058 1.105 -0.091 1.00 2.40 H new ATOM 0 HB3 SER A 33 -12.935 2.368 -0.551 1.00 2.40 H new ATOM 0 HG SER A 33 -14.075 1.502 -2.372 1.00 1.23 H new ATOM 544 N ARG A 34 -10.160 2.038 -0.490 1.00 11.23 N ATOM 545 CA ARG A 34 -8.916 2.481 -1.115 1.00 75.33 C ATOM 546 C ARG A 34 -7.764 1.548 -0.755 1.00 44.33 C ATOM 547 O ARG A 34 -6.962 1.179 -1.606 1.00 14.12 O ATOM 548 CB ARG A 34 -8.572 3.919 -0.700 1.00 21.34 C ATOM 549 CG ARG A 34 -9.222 4.997 -1.558 1.00 44.32 C ATOM 550 CD ARG A 34 -10.741 4.968 -1.480 1.00 21.25 C ATOM 551 NE ARG A 34 -11.343 6.089 -2.203 1.00 75.24 N ATOM 552 CZ ARG A 34 -12.653 6.331 -2.267 1.00 12.41 C ATOM 553 NH1 ARG A 34 -13.517 5.523 -1.660 1.00 23.25 N ATOM 554 NH2 ARG A 34 -13.103 7.388 -2.933 1.00 44.11 N ATOM 0 H ARG A 34 -10.588 2.726 0.129 1.00 11.23 H new ATOM 0 HA ARG A 34 -9.064 2.456 -2.195 1.00 75.33 H new ATOM 0 HB2 ARG A 34 -8.874 4.067 0.337 1.00 21.34 H new ATOM 0 HB3 ARG A 34 -7.490 4.046 -0.738 1.00 21.34 H new ATOM 0 HG2 ARG A 34 -8.864 5.976 -1.239 1.00 44.32 H new ATOM 0 HG3 ARG A 34 -8.912 4.867 -2.595 1.00 44.32 H new ATOM 0 HD2 ARG A 34 -11.108 4.029 -1.894 1.00 21.25 H new ATOM 0 HD3 ARG A 34 -11.052 5.000 -0.436 1.00 21.25 H new ATOM 0 HE ARG A 34 -10.717 6.729 -2.692 1.00 75.24 H new ATOM 0 HH11 ARG A 34 -13.179 4.712 -1.141 1.00 23.25 H new ATOM 0 HH12 ARG A 34 -14.518 5.714 -1.713 1.00 23.25 H new ATOM 0 HH21 ARG A 34 -12.446 8.016 -3.397 1.00 44.11 H new ATOM 0 HH22 ARG A 34 -14.105 7.572 -2.981 1.00 44.11 H new ATOM 568 N ILE A 35 -7.702 1.146 0.502 1.00 24.14 N ATOM 569 CA ILE A 35 -6.629 0.278 0.965 1.00 40.41 C ATOM 570 C ILE A 35 -6.653 -1.074 0.249 1.00 45.20 C ATOM 571 O ILE A 35 -5.611 -1.590 -0.162 1.00 70.33 O ATOM 572 CB ILE A 35 -6.715 0.042 2.487 1.00 31.11 C ATOM 573 CG1 ILE A 35 -6.636 1.370 3.238 1.00 11.03 C ATOM 574 CG2 ILE A 35 -5.604 -0.888 2.947 1.00 53.01 C ATOM 575 CD1 ILE A 35 -6.813 1.234 4.734 1.00 21.44 C ATOM 0 H ILE A 35 -8.379 1.405 1.220 1.00 24.14 H new ATOM 0 HA ILE A 35 -5.694 0.787 0.733 1.00 40.41 H new ATOM 0 HB ILE A 35 -7.674 -0.427 2.707 1.00 31.11 H new ATOM 0 HG12 ILE A 35 -5.671 1.835 3.036 1.00 11.03 H new ATOM 0 HG13 ILE A 35 -7.401 2.043 2.850 1.00 11.03 H new ATOM 0 HG21 ILE A 35 -5.681 -1.043 4.023 1.00 53.01 H new ATOM 0 HG22 ILE A 35 -5.696 -1.846 2.435 1.00 53.01 H new ATOM 0 HG23 ILE A 35 -4.637 -0.443 2.713 1.00 53.01 H new ATOM 0 HD11 ILE A 35 -6.745 2.217 5.199 1.00 21.44 H new ATOM 0 HD12 ILE A 35 -7.789 0.799 4.947 1.00 21.44 H new ATOM 0 HD13 ILE A 35 -6.032 0.588 5.135 1.00 21.44 H new ATOM 587 N GLU A 36 -7.843 -1.624 0.073 1.00 44.00 N ATOM 588 CA GLU A 36 -7.982 -2.998 -0.391 1.00 25.52 C ATOM 589 C GLU A 36 -7.977 -3.124 -1.915 1.00 32.22 C ATOM 590 O GLU A 36 -7.470 -4.106 -2.443 1.00 24.24 O ATOM 591 CB GLU A 36 -9.259 -3.615 0.175 1.00 61.50 C ATOM 592 CG GLU A 36 -9.345 -3.519 1.687 1.00 74.11 C ATOM 593 CD GLU A 36 -10.513 -4.287 2.260 1.00 71.10 C ATOM 594 OE1 GLU A 36 -11.654 -4.090 1.790 1.00 11.01 O ATOM 595 OE2 GLU A 36 -10.295 -5.077 3.202 1.00 71.40 O ATOM 0 H GLU A 36 -8.726 -1.143 0.243 1.00 44.00 H new ATOM 0 HA GLU A 36 -7.108 -3.539 -0.027 1.00 25.52 H new ATOM 0 HB2 GLU A 36 -10.123 -3.116 -0.265 1.00 61.50 H new ATOM 0 HB3 GLU A 36 -9.311 -4.663 -0.120 1.00 61.50 H new ATOM 0 HG2 GLU A 36 -8.420 -3.896 2.123 1.00 74.11 H new ATOM 0 HG3 GLU A 36 -9.429 -2.471 1.975 1.00 74.11 H new ATOM 602 N LYS A 37 -8.546 -2.161 -2.633 1.00 71.52 N ATOM 603 CA LYS A 37 -8.618 -2.291 -4.089 1.00 1.24 C ATOM 604 C LYS A 37 -7.696 -1.311 -4.815 1.00 34.51 C ATOM 605 O LYS A 37 -7.587 -1.352 -6.042 1.00 4.24 O ATOM 606 CB LYS A 37 -10.070 -2.170 -4.586 1.00 22.11 C ATOM 607 CG LYS A 37 -10.776 -0.858 -4.252 1.00 63.34 C ATOM 608 CD LYS A 37 -10.385 0.277 -5.193 1.00 15.22 C ATOM 609 CE LYS A 37 -10.728 -0.042 -6.644 1.00 22.24 C ATOM 610 NZ LYS A 37 -12.177 -0.329 -6.835 1.00 11.22 N ATOM 0 H LYS A 37 -8.952 -1.308 -2.250 1.00 71.52 H new ATOM 0 HA LYS A 37 -8.258 -3.291 -4.333 1.00 1.24 H new ATOM 0 HB2 LYS A 37 -10.076 -2.300 -5.668 1.00 22.11 H new ATOM 0 HB3 LYS A 37 -10.649 -2.991 -4.163 1.00 22.11 H new ATOM 0 HG2 LYS A 37 -11.855 -1.008 -4.299 1.00 63.34 H new ATOM 0 HG3 LYS A 37 -10.538 -0.573 -3.227 1.00 63.34 H new ATOM 0 HD2 LYS A 37 -10.897 1.191 -4.892 1.00 15.22 H new ATOM 0 HD3 LYS A 37 -9.315 0.468 -5.107 1.00 15.22 H new ATOM 0 HE2 LYS A 37 -10.441 0.799 -7.276 1.00 22.24 H new ATOM 0 HE3 LYS A 37 -10.144 -0.902 -6.972 1.00 22.24 H new ATOM 0 HZ1 LYS A 37 -12.388 -0.389 -7.852 1.00 11.22 H new ATOM 0 HZ2 LYS A 37 -12.415 -1.232 -6.378 1.00 11.22 H new ATOM 0 HZ3 LYS A 37 -12.741 0.434 -6.409 1.00 11.22 H new ATOM 624 N ASP A 38 -7.031 -0.436 -4.075 1.00 71.31 N ATOM 625 CA ASP A 38 -6.100 0.509 -4.691 1.00 53.14 C ATOM 626 C ASP A 38 -4.682 0.246 -4.192 1.00 3.51 C ATOM 627 O ASP A 38 -3.765 0.026 -4.982 1.00 34.02 O ATOM 628 CB ASP A 38 -6.509 1.959 -4.390 1.00 23.23 C ATOM 629 CG ASP A 38 -5.852 2.968 -5.311 1.00 43.42 C ATOM 630 OD1 ASP A 38 -4.700 2.748 -5.721 1.00 32.20 O ATOM 631 OD2 ASP A 38 -6.515 3.964 -5.665 1.00 31.31 O ATOM 0 H ASP A 38 -7.114 -0.357 -3.061 1.00 71.31 H new ATOM 0 HA ASP A 38 -6.130 0.366 -5.771 1.00 53.14 H new ATOM 0 HB2 ASP A 38 -7.592 2.050 -4.476 1.00 23.23 H new ATOM 0 HB3 ASP A 38 -6.250 2.196 -3.358 1.00 23.23 H new ATOM 636 N ILE A 39 -4.521 0.247 -2.875 1.00 30.14 N ATOM 637 CA ILE A 39 -3.219 0.024 -2.256 1.00 70.02 C ATOM 638 C ILE A 39 -2.784 -1.441 -2.391 1.00 10.54 C ATOM 639 O ILE A 39 -1.627 -1.727 -2.711 1.00 60.14 O ATOM 640 CB ILE A 39 -3.238 0.439 -0.766 1.00 42.13 C ATOM 641 CG1 ILE A 39 -3.666 1.906 -0.637 1.00 1.24 C ATOM 642 CG2 ILE A 39 -1.876 0.224 -0.125 1.00 12.24 C ATOM 643 CD1 ILE A 39 -3.749 2.400 0.793 1.00 4.11 C ATOM 0 H ILE A 39 -5.280 0.401 -2.211 1.00 30.14 H new ATOM 0 HA ILE A 39 -2.495 0.646 -2.782 1.00 70.02 H new ATOM 0 HB ILE A 39 -3.959 -0.188 -0.241 1.00 42.13 H new ATOM 0 HG12 ILE A 39 -2.960 2.529 -1.186 1.00 1.24 H new ATOM 0 HG13 ILE A 39 -4.639 2.033 -1.112 1.00 1.24 H new ATOM 0 HG21 ILE A 39 -1.915 0.523 0.922 1.00 12.24 H new ATOM 0 HG22 ILE A 39 -1.605 -0.830 -0.191 1.00 12.24 H new ATOM 0 HG23 ILE A 39 -1.130 0.824 -0.646 1.00 12.24 H new ATOM 0 HD11 ILE A 39 -4.058 3.445 0.799 1.00 4.11 H new ATOM 0 HD12 ILE A 39 -4.477 1.803 1.342 1.00 4.11 H new ATOM 0 HD13 ILE A 39 -2.772 2.307 1.267 1.00 4.11 H new ATOM 655 N LYS A 40 -3.704 -2.365 -2.123 1.00 61.33 N ATOM 656 CA LYS A 40 -3.457 -3.797 -2.332 1.00 51.40 C ATOM 657 C LYS A 40 -4.386 -4.379 -3.403 1.00 15.04 C ATOM 658 O LYS A 40 -5.154 -5.294 -3.119 1.00 1.34 O ATOM 659 CB LYS A 40 -3.663 -4.572 -1.023 1.00 3.30 C ATOM 660 CG LYS A 40 -2.419 -4.692 -0.162 1.00 54.54 C ATOM 661 CD LYS A 40 -1.877 -3.340 0.250 1.00 52.54 C ATOM 662 CE LYS A 40 -0.577 -3.490 1.007 1.00 42.04 C ATOM 663 NZ LYS A 40 0.059 -2.179 1.294 1.00 40.05 N ATOM 0 H LYS A 40 -4.632 -2.150 -1.759 1.00 61.33 H new ATOM 0 HA LYS A 40 -2.425 -3.900 -2.668 1.00 51.40 H new ATOM 0 HB2 LYS A 40 -4.445 -4.081 -0.444 1.00 3.30 H new ATOM 0 HB3 LYS A 40 -4.023 -5.573 -1.261 1.00 3.30 H new ATOM 0 HG2 LYS A 40 -2.651 -5.276 0.729 1.00 54.54 H new ATOM 0 HG3 LYS A 40 -1.651 -5.238 -0.710 1.00 54.54 H new ATOM 0 HD2 LYS A 40 -1.719 -2.722 -0.634 1.00 52.54 H new ATOM 0 HD3 LYS A 40 -2.608 -2.825 0.873 1.00 52.54 H new ATOM 0 HE2 LYS A 40 -0.763 -4.015 1.944 1.00 42.04 H new ATOM 0 HE3 LYS A 40 0.110 -4.106 0.427 1.00 42.04 H new ATOM 0 HZ1 LYS A 40 0.460 -2.190 2.253 1.00 40.05 H new ATOM 0 HZ2 LYS A 40 0.817 -2.002 0.604 1.00 40.05 H new ATOM 0 HZ3 LYS A 40 -0.654 -1.425 1.226 1.00 40.05 H new ATOM 677 N PRO A 41 -4.298 -3.905 -4.660 1.00 12.41 N ATOM 678 CA PRO A 41 -5.258 -4.280 -5.703 1.00 14.33 C ATOM 679 C PRO A 41 -5.107 -5.728 -6.166 1.00 13.15 C ATOM 680 O PRO A 41 -6.095 -6.402 -6.463 1.00 4.52 O ATOM 681 CB PRO A 41 -4.936 -3.318 -6.847 1.00 41.53 C ATOM 682 CG PRO A 41 -3.504 -2.962 -6.657 1.00 33.11 C ATOM 683 CD PRO A 41 -3.255 -2.996 -5.173 1.00 61.11 C ATOM 0 HA PRO A 41 -6.284 -4.213 -5.341 1.00 14.33 H new ATOM 0 HB2 PRO A 41 -5.101 -3.788 -7.817 1.00 41.53 H new ATOM 0 HB3 PRO A 41 -5.571 -2.433 -6.810 1.00 41.53 H new ATOM 0 HG2 PRO A 41 -2.855 -3.667 -7.177 1.00 33.11 H new ATOM 0 HG3 PRO A 41 -3.291 -1.974 -7.065 1.00 33.11 H new ATOM 0 HD2 PRO A 41 -2.255 -3.365 -4.944 1.00 61.11 H new ATOM 0 HD3 PRO A 41 -3.337 -2.003 -4.731 1.00 61.11 H new ATOM 691 N ALA A 42 -3.871 -6.204 -6.230 1.00 65.40 N ATOM 692 CA ALA A 42 -3.609 -7.557 -6.695 1.00 50.41 C ATOM 693 C ALA A 42 -2.644 -8.284 -5.772 1.00 73.24 C ATOM 694 O ALA A 42 -2.306 -9.446 -5.997 1.00 40.42 O ATOM 695 CB ALA A 42 -3.068 -7.527 -8.114 1.00 5.22 C ATOM 0 H ALA A 42 -3.039 -5.676 -5.967 1.00 65.40 H new ATOM 0 HA ALA A 42 -4.551 -8.105 -6.686 1.00 50.41 H new ATOM 0 HB1 ALA A 42 -2.876 -8.545 -8.452 1.00 5.22 H new ATOM 0 HB2 ALA A 42 -3.800 -7.059 -8.772 1.00 5.22 H new ATOM 0 HB3 ALA A 42 -2.140 -6.955 -8.138 1.00 5.22 H new ATOM 701 N ILE A 43 -2.214 -7.602 -4.727 1.00 54.15 N ATOM 702 CA ILE A 43 -1.261 -8.169 -3.794 1.00 50.35 C ATOM 703 C ILE A 43 -1.912 -8.405 -2.438 1.00 51.12 C ATOM 704 O ILE A 43 -2.088 -7.480 -1.646 1.00 51.14 O ATOM 705 CB ILE A 43 -0.014 -7.275 -3.629 1.00 23.04 C ATOM 706 CG1 ILE A 43 -0.425 -5.804 -3.511 1.00 4.43 C ATOM 707 CG2 ILE A 43 0.933 -7.473 -4.803 1.00 53.41 C ATOM 708 CD1 ILE A 43 0.679 -4.899 -3.007 1.00 71.14 C ATOM 0 H ILE A 43 -2.511 -6.652 -4.503 1.00 54.15 H new ATOM 0 HA ILE A 43 -0.937 -9.124 -4.208 1.00 50.35 H new ATOM 0 HB ILE A 43 0.504 -7.561 -2.714 1.00 23.04 H new ATOM 0 HG12 ILE A 43 -0.755 -5.449 -4.487 1.00 4.43 H new ATOM 0 HG13 ILE A 43 -1.280 -5.728 -2.839 1.00 4.43 H new ATOM 0 HG21 ILE A 43 1.809 -6.837 -4.675 1.00 53.41 H new ATOM 0 HG22 ILE A 43 1.245 -8.516 -4.847 1.00 53.41 H new ATOM 0 HG23 ILE A 43 0.424 -7.208 -5.730 1.00 53.41 H new ATOM 0 HD11 ILE A 43 0.312 -3.874 -2.950 1.00 71.14 H new ATOM 0 HD12 ILE A 43 0.994 -5.227 -2.016 1.00 71.14 H new ATOM 0 HD13 ILE A 43 1.527 -4.944 -3.691 1.00 71.14 H new ATOM 720 N GLY A 44 -2.297 -9.645 -2.196 1.00 23.40 N ATOM 721 CA GLY A 44 -2.883 -10.010 -0.923 1.00 62.44 C ATOM 722 C GLY A 44 -2.451 -11.391 -0.484 1.00 24.35 C ATOM 723 O GLY A 44 -2.119 -11.610 0.680 1.00 63.11 O ATOM 0 H GLY A 44 -2.214 -10.412 -2.863 1.00 23.40 H new ATOM 0 HA2 GLY A 44 -2.594 -9.281 -0.167 1.00 62.44 H new ATOM 0 HA3 GLY A 44 -3.970 -9.976 -0.999 1.00 62.44 H new ATOM 727 N SER A 45 -2.425 -12.317 -1.436 1.00 70.44 N ATOM 728 CA SER A 45 -2.066 -13.703 -1.167 1.00 24.51 C ATOM 729 C SER A 45 -0.543 -13.887 -1.125 1.00 10.44 C ATOM 730 O SER A 45 -0.018 -14.932 -1.506 1.00 63.21 O ATOM 731 CB SER A 45 -2.680 -14.591 -2.248 1.00 5.43 C ATOM 732 OG SER A 45 -4.058 -14.289 -2.418 1.00 3.43 O ATOM 0 H SER A 45 -2.651 -12.128 -2.412 1.00 70.44 H new ATOM 0 HA SER A 45 -2.455 -13.986 -0.189 1.00 24.51 H new ATOM 0 HB2 SER A 45 -2.151 -14.446 -3.190 1.00 5.43 H new ATOM 0 HB3 SER A 45 -2.563 -15.640 -1.975 1.00 5.43 H new ATOM 0 HG SER A 45 -4.436 -14.865 -3.115 1.00 3.43 H new ATOM 738 N LEU A 46 0.150 -12.863 -0.646 1.00 12.45 N ATOM 739 CA LEU A 46 1.600 -12.901 -0.491 1.00 73.42 C ATOM 740 C LEU A 46 1.988 -12.161 0.782 1.00 2.44 C ATOM 741 O LEU A 46 1.192 -11.390 1.316 1.00 0.21 O ATOM 742 CB LEU A 46 2.316 -12.290 -1.708 1.00 31.23 C ATOM 743 CG LEU A 46 1.805 -10.925 -2.184 1.00 33.05 C ATOM 744 CD1 LEU A 46 2.931 -10.150 -2.850 1.00 51.10 C ATOM 745 CD2 LEU A 46 0.654 -11.097 -3.164 1.00 33.35 C ATOM 0 H LEU A 46 -0.275 -11.983 -0.354 1.00 12.45 H new ATOM 0 HA LEU A 46 1.914 -13.943 -0.421 1.00 73.42 H new ATOM 0 HB2 LEU A 46 3.375 -12.194 -1.469 1.00 31.23 H new ATOM 0 HB3 LEU A 46 2.239 -12.992 -2.538 1.00 31.23 H new ATOM 0 HG LEU A 46 1.448 -10.370 -1.316 1.00 33.05 H new ATOM 0 HD11 LEU A 46 2.558 -9.182 -3.185 1.00 51.10 H new ATOM 0 HD12 LEU A 46 3.741 -10.000 -2.136 1.00 51.10 H new ATOM 0 HD13 LEU A 46 3.302 -10.712 -3.707 1.00 51.10 H new ATOM 0 HD21 LEU A 46 0.305 -10.117 -3.491 1.00 33.35 H new ATOM 0 HD22 LEU A 46 0.994 -11.668 -4.028 1.00 33.35 H new ATOM 0 HD23 LEU A 46 -0.163 -11.629 -2.676 1.00 33.35 H new ATOM 757 N LYS A 47 3.194 -12.399 1.275 1.00 53.04 N ATOM 758 CA LYS A 47 3.634 -11.777 2.518 1.00 54.01 C ATOM 759 C LYS A 47 4.299 -10.433 2.268 1.00 54.52 C ATOM 760 O LYS A 47 4.445 -9.999 1.124 1.00 4.32 O ATOM 761 CB LYS A 47 4.588 -12.686 3.287 1.00 73.54 C ATOM 762 CG LYS A 47 3.913 -13.897 3.904 1.00 55.31 C ATOM 763 CD LYS A 47 4.615 -14.309 5.185 1.00 12.43 C ATOM 764 CE LYS A 47 6.077 -14.650 4.946 1.00 21.25 C ATOM 765 NZ LYS A 47 6.830 -14.780 6.220 1.00 44.33 N ATOM 0 H LYS A 47 3.882 -13.013 0.839 1.00 53.04 H new ATOM 0 HA LYS A 47 2.740 -11.615 3.121 1.00 54.01 H new ATOM 0 HB2 LYS A 47 5.376 -13.024 2.614 1.00 73.54 H new ATOM 0 HB3 LYS A 47 5.069 -12.108 4.076 1.00 73.54 H new ATOM 0 HG2 LYS A 47 2.868 -13.669 4.113 1.00 55.31 H new ATOM 0 HG3 LYS A 47 3.923 -14.725 3.196 1.00 55.31 H new ATOM 0 HD2 LYS A 47 4.545 -13.501 5.913 1.00 12.43 H new ATOM 0 HD3 LYS A 47 4.107 -15.172 5.616 1.00 12.43 H new ATOM 0 HE2 LYS A 47 6.146 -15.583 4.387 1.00 21.25 H new ATOM 0 HE3 LYS A 47 6.535 -13.875 4.331 1.00 21.25 H new ATOM 0 HZ1 LYS A 47 7.440 -13.948 6.349 1.00 44.33 H new ATOM 0 HZ2 LYS A 47 6.161 -14.845 7.014 1.00 44.33 H new ATOM 0 HZ3 LYS A 47 7.417 -15.638 6.190 1.00 44.33 H new ATOM 779 N VAL A 48 4.716 -9.791 3.352 1.00 21.22 N ATOM 780 CA VAL A 48 5.303 -8.459 3.282 1.00 35.02 C ATOM 781 C VAL A 48 6.771 -8.550 2.882 1.00 43.11 C ATOM 782 O VAL A 48 7.298 -7.683 2.188 1.00 35.34 O ATOM 783 CB VAL A 48 5.182 -7.720 4.633 1.00 24.43 C ATOM 784 CG1 VAL A 48 5.568 -6.257 4.486 1.00 33.34 C ATOM 785 CG2 VAL A 48 3.775 -7.849 5.191 1.00 3.31 C ATOM 0 H VAL A 48 4.658 -10.174 4.296 1.00 21.22 H new ATOM 0 HA VAL A 48 4.753 -7.894 2.529 1.00 35.02 H new ATOM 0 HB VAL A 48 5.873 -8.184 5.336 1.00 24.43 H new ATOM 0 HG11 VAL A 48 5.475 -5.757 5.450 1.00 33.34 H new ATOM 0 HG12 VAL A 48 6.599 -6.186 4.138 1.00 33.34 H new ATOM 0 HG13 VAL A 48 4.908 -5.777 3.764 1.00 33.34 H new ATOM 0 HG21 VAL A 48 3.711 -7.322 6.143 1.00 3.31 H new ATOM 0 HG22 VAL A 48 3.064 -7.416 4.488 1.00 3.31 H new ATOM 0 HG23 VAL A 48 3.539 -8.902 5.343 1.00 3.31 H new ATOM 795 N GLU A 49 7.423 -9.615 3.318 1.00 13.32 N ATOM 796 CA GLU A 49 8.816 -9.855 2.978 1.00 14.40 C ATOM 797 C GLU A 49 8.926 -10.351 1.542 1.00 21.41 C ATOM 798 O GLU A 49 10.008 -10.359 0.948 1.00 65.35 O ATOM 799 CB GLU A 49 9.435 -10.896 3.922 1.00 45.34 C ATOM 800 CG GLU A 49 9.076 -10.705 5.391 1.00 25.33 C ATOM 801 CD GLU A 49 7.839 -11.481 5.801 1.00 4.12 C ATOM 802 OE1 GLU A 49 6.737 -11.167 5.306 1.00 34.43 O ATOM 803 OE2 GLU A 49 7.969 -12.426 6.609 1.00 25.02 O ATOM 0 H GLU A 49 7.007 -10.332 3.912 1.00 13.32 H new ATOM 0 HA GLU A 49 9.357 -8.915 3.084 1.00 14.40 H new ATOM 0 HB2 GLU A 49 9.114 -11.889 3.608 1.00 45.34 H new ATOM 0 HB3 GLU A 49 10.520 -10.863 3.818 1.00 45.34 H new ATOM 0 HG2 GLU A 49 9.917 -11.019 6.009 1.00 25.33 H new ATOM 0 HG3 GLU A 49 8.915 -9.645 5.586 1.00 25.33 H new ATOM 810 N ASP A 50 7.795 -10.762 0.984 1.00 34.40 N ATOM 811 CA ASP A 50 7.781 -11.389 -0.327 1.00 52.54 C ATOM 812 C ASP A 50 7.194 -10.463 -1.389 1.00 22.50 C ATOM 813 O ASP A 50 7.307 -10.728 -2.587 1.00 65.55 O ATOM 814 CB ASP A 50 6.998 -12.698 -0.269 1.00 72.45 C ATOM 815 CG ASP A 50 7.224 -13.554 -1.493 1.00 0.00 C ATOM 816 OD1 ASP A 50 8.347 -14.084 -1.647 1.00 51.21 O ATOM 817 OD2 ASP A 50 6.287 -13.708 -2.299 1.00 43.35 O ATOM 0 H ASP A 50 6.877 -10.672 1.420 1.00 34.40 H new ATOM 0 HA ASP A 50 8.812 -11.599 -0.611 1.00 52.54 H new ATOM 0 HB2 ASP A 50 7.291 -13.255 0.621 1.00 72.45 H new ATOM 0 HB3 ASP A 50 5.935 -12.479 -0.172 1.00 72.45 H new ATOM 822 N VAL A 51 6.577 -9.368 -0.961 1.00 20.10 N ATOM 823 CA VAL A 51 6.040 -8.401 -1.906 1.00 21.35 C ATOM 824 C VAL A 51 7.173 -7.556 -2.492 1.00 15.11 C ATOM 825 O VAL A 51 7.501 -6.475 -2.009 1.00 12.13 O ATOM 826 CB VAL A 51 4.922 -7.512 -1.289 1.00 42.52 C ATOM 827 CG1 VAL A 51 5.402 -6.779 -0.044 1.00 64.24 C ATOM 828 CG2 VAL A 51 4.383 -6.528 -2.320 1.00 64.12 C ATOM 0 H VAL A 51 6.438 -9.131 0.021 1.00 20.10 H new ATOM 0 HA VAL A 51 5.564 -8.959 -2.712 1.00 21.35 H new ATOM 0 HB VAL A 51 4.112 -8.174 -0.985 1.00 42.52 H new ATOM 0 HG11 VAL A 51 4.591 -6.170 0.355 1.00 64.24 H new ATOM 0 HG12 VAL A 51 5.715 -7.504 0.707 1.00 64.24 H new ATOM 0 HG13 VAL A 51 6.245 -6.137 -0.302 1.00 64.24 H new ATOM 0 HG21 VAL A 51 3.603 -5.917 -1.867 1.00 64.12 H new ATOM 0 HG22 VAL A 51 5.192 -5.885 -2.667 1.00 64.12 H new ATOM 0 HG23 VAL A 51 3.968 -7.077 -3.165 1.00 64.12 H new ATOM 838 N LYS A 52 7.802 -8.102 -3.524 1.00 3.53 N ATOM 839 CA LYS A 52 8.945 -7.464 -4.162 1.00 3.41 C ATOM 840 C LYS A 52 8.527 -6.171 -4.865 1.00 22.11 C ATOM 841 O LYS A 52 7.363 -6.025 -5.256 1.00 74.03 O ATOM 842 CB LYS A 52 9.585 -8.436 -5.160 1.00 23.11 C ATOM 843 CG LYS A 52 9.839 -9.824 -4.588 1.00 41.40 C ATOM 844 CD LYS A 52 10.694 -9.769 -3.332 1.00 40.11 C ATOM 845 CE LYS A 52 10.822 -11.138 -2.688 1.00 42.44 C ATOM 846 NZ LYS A 52 11.571 -11.082 -1.404 1.00 51.42 N ATOM 0 H LYS A 52 7.536 -8.994 -3.940 1.00 3.53 H new ATOM 0 HA LYS A 52 9.675 -7.205 -3.395 1.00 3.41 H new ATOM 0 HB2 LYS A 52 8.937 -8.525 -6.032 1.00 23.11 H new ATOM 0 HB3 LYS A 52 10.530 -8.017 -5.506 1.00 23.11 H new ATOM 0 HG2 LYS A 52 8.887 -10.303 -4.359 1.00 41.40 H new ATOM 0 HG3 LYS A 52 10.334 -10.441 -5.338 1.00 41.40 H new ATOM 0 HD2 LYS A 52 11.685 -9.388 -3.581 1.00 40.11 H new ATOM 0 HD3 LYS A 52 10.254 -9.070 -2.621 1.00 40.11 H new ATOM 0 HE2 LYS A 52 9.828 -11.549 -2.510 1.00 42.44 H new ATOM 0 HE3 LYS A 52 11.330 -11.816 -3.375 1.00 42.44 H new ATOM 0 HZ1 LYS A 52 11.987 -12.014 -1.204 1.00 51.42 H new ATOM 0 HZ2 LYS A 52 12.329 -10.373 -1.475 1.00 51.42 H new ATOM 0 HZ3 LYS A 52 10.922 -10.820 -0.635 1.00 51.42 H new ATOM 860 N PRO A 53 9.479 -5.231 -5.039 1.00 52.14 N ATOM 861 CA PRO A 53 9.220 -3.897 -5.612 1.00 74.30 C ATOM 862 C PRO A 53 8.420 -3.924 -6.914 1.00 54.14 C ATOM 863 O PRO A 53 7.605 -3.041 -7.162 1.00 75.01 O ATOM 864 CB PRO A 53 10.623 -3.349 -5.874 1.00 40.01 C ATOM 865 CG PRO A 53 11.485 -4.024 -4.868 1.00 1.31 C ATOM 866 CD PRO A 53 10.904 -5.398 -4.679 1.00 53.40 C ATOM 0 HA PRO A 53 8.612 -3.296 -4.935 1.00 74.30 H new ATOM 0 HB2 PRO A 53 10.951 -3.570 -6.889 1.00 40.01 H new ATOM 0 HB3 PRO A 53 10.653 -2.266 -5.758 1.00 40.01 H new ATOM 0 HG2 PRO A 53 12.517 -4.081 -5.214 1.00 1.31 H new ATOM 0 HG3 PRO A 53 11.494 -3.472 -3.928 1.00 1.31 H new ATOM 0 HD2 PRO A 53 11.395 -6.131 -5.319 1.00 53.40 H new ATOM 0 HD3 PRO A 53 11.019 -5.743 -3.652 1.00 53.40 H new ATOM 874 N ARG A 54 8.647 -4.948 -7.729 1.00 21.22 N ATOM 875 CA ARG A 54 7.993 -5.061 -9.031 1.00 25.54 C ATOM 876 C ARG A 54 6.472 -5.009 -8.893 1.00 15.41 C ATOM 877 O ARG A 54 5.780 -4.438 -9.734 1.00 60.51 O ATOM 878 CB ARG A 54 8.398 -6.369 -9.697 1.00 11.43 C ATOM 879 CG ARG A 54 8.060 -6.445 -11.173 1.00 45.32 C ATOM 880 CD ARG A 54 8.399 -7.814 -11.724 1.00 34.40 C ATOM 881 NE ARG A 54 8.389 -7.849 -13.181 1.00 24.04 N ATOM 882 CZ ARG A 54 9.058 -8.749 -13.895 1.00 12.14 C ATOM 883 NH1 ARG A 54 9.722 -9.724 -13.283 1.00 42.40 N ATOM 884 NH2 ARG A 54 9.043 -8.685 -15.219 1.00 42.11 N ATOM 0 H ARG A 54 9.282 -5.716 -7.511 1.00 21.22 H new ATOM 0 HA ARG A 54 8.311 -4.218 -9.644 1.00 25.54 H new ATOM 0 HB2 ARG A 54 9.472 -6.509 -9.574 1.00 11.43 H new ATOM 0 HB3 ARG A 54 7.908 -7.194 -9.180 1.00 11.43 H new ATOM 0 HG2 ARG A 54 7.000 -6.239 -11.321 1.00 45.32 H new ATOM 0 HG3 ARG A 54 8.612 -5.680 -11.719 1.00 45.32 H new ATOM 0 HD2 ARG A 54 9.383 -8.113 -11.364 1.00 34.40 H new ATOM 0 HD3 ARG A 54 7.684 -8.543 -11.342 1.00 34.40 H new ATOM 0 HE ARG A 54 7.841 -7.147 -13.678 1.00 24.04 H new ATOM 0 HH11 ARG A 54 9.719 -9.782 -12.265 1.00 42.40 H new ATOM 0 HH12 ARG A 54 10.235 -10.414 -13.832 1.00 42.40 H new ATOM 0 HH21 ARG A 54 8.519 -7.946 -15.688 1.00 42.11 H new ATOM 0 HH22 ARG A 54 9.556 -9.374 -15.769 1.00 42.11 H new ATOM 898 N HIS A 55 5.965 -5.595 -7.815 1.00 65.32 N ATOM 899 CA HIS A 55 4.531 -5.622 -7.552 1.00 21.10 C ATOM 900 C HIS A 55 3.999 -4.215 -7.326 1.00 55.45 C ATOM 901 O HIS A 55 2.875 -3.893 -7.702 1.00 64.43 O ATOM 902 CB HIS A 55 4.223 -6.502 -6.338 1.00 50.45 C ATOM 903 CG HIS A 55 4.472 -7.955 -6.583 1.00 34.32 C ATOM 904 ND1 HIS A 55 5.193 -8.758 -5.724 1.00 1.14 N ATOM 905 CD2 HIS A 55 4.075 -8.752 -7.597 1.00 34.44 C ATOM 906 CE1 HIS A 55 5.228 -9.989 -6.207 1.00 62.02 C ATOM 907 NE2 HIS A 55 4.558 -10.008 -7.340 1.00 55.40 N ATOM 0 H HIS A 55 6.530 -6.061 -7.105 1.00 65.32 H new ATOM 0 HA HIS A 55 4.035 -6.045 -8.426 1.00 21.10 H new ATOM 0 HB2 HIS A 55 4.832 -6.173 -5.496 1.00 50.45 H new ATOM 0 HB3 HIS A 55 3.181 -6.362 -6.052 1.00 50.45 H new ATOM 0 HD2 HIS A 55 3.486 -8.455 -8.452 1.00 34.44 H new ATOM 0 HE1 HIS A 55 5.722 -10.834 -5.750 1.00 62.02 H new ATOM 0 HE2 HIS A 55 4.420 -10.827 -7.932 1.00 55.40 H new ATOM 916 N ILE A 56 4.826 -3.390 -6.702 1.00 20.20 N ATOM 917 CA ILE A 56 4.465 -2.014 -6.389 1.00 65.45 C ATOM 918 C ILE A 56 4.262 -1.202 -7.669 1.00 42.31 C ATOM 919 O ILE A 56 3.427 -0.303 -7.718 1.00 5.33 O ATOM 920 CB ILE A 56 5.544 -1.339 -5.509 1.00 54.42 C ATOM 921 CG1 ILE A 56 5.791 -2.164 -4.239 1.00 1.34 C ATOM 922 CG2 ILE A 56 5.142 0.085 -5.151 1.00 25.33 C ATOM 923 CD1 ILE A 56 4.558 -2.357 -3.380 1.00 20.30 C ATOM 0 H ILE A 56 5.764 -3.653 -6.399 1.00 20.20 H new ATOM 0 HA ILE A 56 3.528 -2.040 -5.832 1.00 65.45 H new ATOM 0 HB ILE A 56 6.471 -1.294 -6.081 1.00 54.42 H new ATOM 0 HG12 ILE A 56 6.180 -3.142 -4.523 1.00 1.34 H new ATOM 0 HG13 ILE A 56 6.562 -1.675 -3.644 1.00 1.34 H new ATOM 0 HG21 ILE A 56 5.917 0.537 -4.532 1.00 25.33 H new ATOM 0 HG22 ILE A 56 5.019 0.669 -6.063 1.00 25.33 H new ATOM 0 HG23 ILE A 56 4.201 0.070 -4.601 1.00 25.33 H new ATOM 0 HD11 ILE A 56 4.815 -2.950 -2.502 1.00 20.30 H new ATOM 0 HD12 ILE A 56 4.179 -1.385 -3.063 1.00 20.30 H new ATOM 0 HD13 ILE A 56 3.791 -2.875 -3.956 1.00 20.30 H new ATOM 935 N ASP A 57 5.010 -1.529 -8.711 1.00 51.12 N ATOM 936 CA ASP A 57 4.844 -0.845 -9.989 1.00 44.21 C ATOM 937 C ASP A 57 3.475 -1.170 -10.572 1.00 53.44 C ATOM 938 O ASP A 57 2.782 -0.295 -11.092 1.00 13.24 O ATOM 939 CB ASP A 57 5.946 -1.238 -10.976 1.00 44.13 C ATOM 940 CG ASP A 57 5.884 -0.434 -12.264 1.00 3.43 C ATOM 941 OD1 ASP A 57 6.266 0.758 -12.245 1.00 54.41 O ATOM 942 OD2 ASP A 57 5.471 -0.989 -13.304 1.00 13.14 O ATOM 0 H ASP A 57 5.729 -2.253 -8.701 1.00 51.12 H new ATOM 0 HA ASP A 57 4.918 0.229 -9.816 1.00 44.21 H new ATOM 0 HB2 ASP A 57 6.919 -1.093 -10.507 1.00 44.13 H new ATOM 0 HB3 ASP A 57 5.860 -2.299 -11.209 1.00 44.13 H new ATOM 947 N ASP A 58 3.075 -2.433 -10.437 1.00 31.42 N ATOM 948 CA ASP A 58 1.783 -2.897 -10.938 1.00 2.42 C ATOM 949 C ASP A 58 0.622 -2.175 -10.265 1.00 61.51 C ATOM 950 O ASP A 58 -0.379 -1.860 -10.914 1.00 42.23 O ATOM 951 CB ASP A 58 1.624 -4.408 -10.753 1.00 60.33 C ATOM 952 CG ASP A 58 2.332 -5.204 -11.828 1.00 14.02 C ATOM 953 OD1 ASP A 58 1.899 -5.139 -13.000 1.00 23.24 O ATOM 954 OD2 ASP A 58 3.314 -5.903 -11.512 1.00 54.34 O ATOM 0 H ASP A 58 3.631 -3.157 -9.982 1.00 31.42 H new ATOM 0 HA ASP A 58 1.761 -2.667 -12.003 1.00 2.42 H new ATOM 0 HB2 ASP A 58 2.016 -4.694 -9.777 1.00 60.33 H new ATOM 0 HB3 ASP A 58 0.564 -4.661 -10.757 1.00 60.33 H new ATOM 959 N VAL A 59 0.746 -1.908 -8.969 1.00 25.15 N ATOM 960 CA VAL A 59 -0.320 -1.225 -8.245 1.00 32.24 C ATOM 961 C VAL A 59 -0.395 0.241 -8.673 1.00 52.24 C ATOM 962 O VAL A 59 -1.479 0.819 -8.746 1.00 62.41 O ATOM 963 CB VAL A 59 -0.168 -1.332 -6.702 1.00 73.34 C ATOM 964 CG1 VAL A 59 0.117 -2.766 -6.287 1.00 75.23 C ATOM 965 CG2 VAL A 59 0.902 -0.398 -6.161 1.00 30.31 C ATOM 0 H VAL A 59 1.561 -2.150 -8.405 1.00 25.15 H new ATOM 0 HA VAL A 59 -1.251 -1.729 -8.504 1.00 32.24 H new ATOM 0 HB VAL A 59 -1.118 -1.021 -6.267 1.00 73.34 H new ATOM 0 HG11 VAL A 59 0.220 -2.818 -5.203 1.00 75.23 H new ATOM 0 HG12 VAL A 59 -0.706 -3.407 -6.604 1.00 75.23 H new ATOM 0 HG13 VAL A 59 1.042 -3.103 -6.755 1.00 75.23 H new ATOM 0 HG21 VAL A 59 0.970 -0.510 -5.079 1.00 30.31 H new ATOM 0 HG22 VAL A 59 1.863 -0.645 -6.612 1.00 30.31 H new ATOM 0 HG23 VAL A 59 0.642 0.632 -6.403 1.00 30.31 H new ATOM 975 N LEU A 60 0.761 0.821 -8.996 1.00 71.33 N ATOM 976 CA LEU A 60 0.822 2.194 -9.479 1.00 31.12 C ATOM 977 C LEU A 60 0.150 2.305 -10.840 1.00 0.44 C ATOM 978 O LEU A 60 -0.608 3.239 -11.091 1.00 4.44 O ATOM 979 CB LEU A 60 2.273 2.673 -9.570 1.00 34.11 C ATOM 980 CG LEU A 60 3.007 2.777 -8.234 1.00 55.04 C ATOM 981 CD1 LEU A 60 4.445 3.218 -8.454 1.00 44.31 C ATOM 982 CD2 LEU A 60 2.282 3.742 -7.304 1.00 61.11 C ATOM 0 H LEU A 60 1.667 0.358 -8.931 1.00 71.33 H new ATOM 0 HA LEU A 60 0.292 2.829 -8.769 1.00 31.12 H new ATOM 0 HB2 LEU A 60 2.824 1.991 -10.217 1.00 34.11 H new ATOM 0 HB3 LEU A 60 2.287 3.651 -10.051 1.00 34.11 H new ATOM 0 HG LEU A 60 3.019 1.794 -7.764 1.00 55.04 H new ATOM 0 HD11 LEU A 60 4.955 3.288 -7.493 1.00 44.31 H new ATOM 0 HD12 LEU A 60 4.956 2.491 -9.085 1.00 44.31 H new ATOM 0 HD13 LEU A 60 4.456 4.193 -8.942 1.00 44.31 H new ATOM 0 HD21 LEU A 60 2.817 3.805 -6.356 1.00 61.11 H new ATOM 0 HD22 LEU A 60 2.241 4.729 -7.764 1.00 61.11 H new ATOM 0 HD23 LEU A 60 1.269 3.383 -7.125 1.00 61.11 H new ATOM 994 N LYS A 61 0.436 1.340 -11.712 1.00 34.32 N ATOM 995 CA LYS A 61 -0.201 1.263 -13.025 1.00 20.21 C ATOM 996 C LYS A 61 -1.711 1.316 -12.877 1.00 40.22 C ATOM 997 O LYS A 61 -2.385 2.144 -13.489 1.00 60.02 O ATOM 998 CB LYS A 61 0.183 -0.039 -13.719 1.00 63.22 C ATOM 999 CG LYS A 61 1.662 -0.165 -14.001 1.00 62.53 C ATOM 1000 CD LYS A 61 2.097 -1.617 -14.048 1.00 62.14 C ATOM 1001 CE LYS A 61 1.326 -2.416 -15.083 1.00 42.40 C ATOM 1002 NZ LYS A 61 1.903 -3.775 -15.265 1.00 54.32 N ATOM 0 H LYS A 61 1.110 0.596 -11.531 1.00 34.32 H new ATOM 0 HA LYS A 61 0.138 2.109 -13.622 1.00 20.21 H new ATOM 0 HB2 LYS A 61 -0.132 -0.878 -13.098 1.00 63.22 H new ATOM 0 HB3 LYS A 61 -0.365 -0.115 -14.658 1.00 63.22 H new ATOM 0 HG2 LYS A 61 1.895 0.317 -14.951 1.00 62.53 H new ATOM 0 HG3 LYS A 61 2.226 0.360 -13.231 1.00 62.53 H new ATOM 0 HD2 LYS A 61 3.162 -1.668 -14.273 1.00 62.14 H new ATOM 0 HD3 LYS A 61 1.957 -2.068 -13.066 1.00 62.14 H new ATOM 0 HE2 LYS A 61 0.284 -2.501 -14.776 1.00 42.40 H new ATOM 0 HE3 LYS A 61 1.336 -1.885 -16.035 1.00 42.40 H new ATOM 0 HZ1 LYS A 61 1.595 -4.163 -16.179 1.00 54.32 H new ATOM 0 HZ2 LYS A 61 2.941 -3.717 -15.246 1.00 54.32 H new ATOM 0 HZ3 LYS A 61 1.577 -4.396 -14.497 1.00 54.32 H new ATOM 1016 N ALA A 62 -2.223 0.419 -12.046 1.00 14.00 N ATOM 1017 CA ALA A 62 -3.656 0.324 -11.787 1.00 54.34 C ATOM 1018 C ALA A 62 -4.262 1.669 -11.381 1.00 20.23 C ATOM 1019 O ALA A 62 -5.212 2.138 -12.011 1.00 44.23 O ATOM 1020 CB ALA A 62 -3.926 -0.720 -10.717 1.00 14.10 C ATOM 0 H ALA A 62 -1.661 -0.261 -11.534 1.00 14.00 H new ATOM 0 HA ALA A 62 -4.136 0.022 -12.718 1.00 54.34 H new ATOM 0 HB1 ALA A 62 -4.998 -0.782 -10.532 1.00 14.10 H new ATOM 0 HB2 ALA A 62 -3.559 -1.690 -11.054 1.00 14.10 H new ATOM 0 HB3 ALA A 62 -3.415 -0.438 -9.797 1.00 14.10 H new ATOM 1026 N VAL A 63 -3.702 2.308 -10.356 1.00 23.24 N ATOM 1027 CA VAL A 63 -4.262 3.566 -9.854 1.00 71.15 C ATOM 1028 C VAL A 63 -4.069 4.706 -10.858 1.00 54.42 C ATOM 1029 O VAL A 63 -4.789 5.700 -10.829 1.00 72.31 O ATOM 1030 CB VAL A 63 -3.691 3.944 -8.460 1.00 25.21 C ATOM 1031 CG1 VAL A 63 -2.177 4.005 -8.464 1.00 43.52 C ATOM 1032 CG2 VAL A 63 -4.275 5.258 -7.961 1.00 4.44 C ATOM 0 H VAL A 63 -2.872 1.983 -9.861 1.00 23.24 H new ATOM 0 HA VAL A 63 -5.333 3.408 -9.731 1.00 71.15 H new ATOM 0 HB VAL A 63 -3.988 3.152 -7.773 1.00 25.21 H new ATOM 0 HG11 VAL A 63 -1.821 4.273 -7.469 1.00 43.52 H new ATOM 0 HG12 VAL A 63 -1.774 3.031 -8.744 1.00 43.52 H new ATOM 0 HG13 VAL A 63 -1.845 4.755 -9.182 1.00 43.52 H new ATOM 0 HG21 VAL A 63 -3.855 5.495 -6.983 1.00 4.44 H new ATOM 0 HG22 VAL A 63 -4.030 6.055 -8.663 1.00 4.44 H new ATOM 0 HG23 VAL A 63 -5.358 5.167 -7.879 1.00 4.44 H new ATOM 1042 N MET A 64 -3.118 4.554 -11.768 1.00 62.20 N ATOM 1043 CA MET A 64 -2.927 5.539 -12.822 1.00 22.33 C ATOM 1044 C MET A 64 -3.972 5.374 -13.922 1.00 24.41 C ATOM 1045 O MET A 64 -4.467 6.360 -14.467 1.00 41.10 O ATOM 1046 CB MET A 64 -1.522 5.444 -13.425 1.00 43.23 C ATOM 1047 CG MET A 64 -0.423 5.930 -12.495 1.00 33.42 C ATOM 1048 SD MET A 64 1.216 5.829 -13.242 1.00 70.44 S ATOM 1049 CE MET A 64 2.236 6.433 -11.897 1.00 42.35 C ATOM 0 H MET A 64 -2.472 3.765 -11.798 1.00 62.20 H new ATOM 0 HA MET A 64 -3.045 6.523 -12.369 1.00 22.33 H new ATOM 0 HB2 MET A 64 -1.323 4.408 -13.698 1.00 43.23 H new ATOM 0 HB3 MET A 64 -1.491 6.027 -14.345 1.00 43.23 H new ATOM 0 HG2 MET A 64 -0.625 6.962 -12.209 1.00 33.42 H new ATOM 0 HG3 MET A 64 -0.438 5.337 -11.580 1.00 33.42 H new ATOM 0 HE1 MET A 64 3.282 6.431 -12.204 1.00 42.35 H new ATOM 0 HE2 MET A 64 1.935 7.449 -11.640 1.00 42.35 H new ATOM 0 HE3 MET A 64 2.112 5.787 -11.028 1.00 42.35 H new ATOM 1059 N LYS A 65 -4.321 4.131 -14.239 1.00 52.32 N ATOM 1060 CA LYS A 65 -5.214 3.863 -15.358 1.00 54.32 C ATOM 1061 C LYS A 65 -6.684 4.051 -14.980 1.00 25.04 C ATOM 1062 O LYS A 65 -7.455 4.638 -15.739 1.00 15.44 O ATOM 1063 CB LYS A 65 -4.947 2.462 -15.938 1.00 23.12 C ATOM 1064 CG LYS A 65 -5.212 1.287 -15.000 1.00 12.01 C ATOM 1065 CD LYS A 65 -6.654 0.810 -15.072 1.00 73.30 C ATOM 1066 CE LYS A 65 -7.025 0.333 -16.466 1.00 32.32 C ATOM 1067 NZ LYS A 65 -8.478 0.045 -16.580 1.00 3.51 N ATOM 0 H LYS A 65 -4.001 3.300 -13.741 1.00 52.32 H new ATOM 0 HA LYS A 65 -5.001 4.597 -16.135 1.00 54.32 H new ATOM 0 HB2 LYS A 65 -5.563 2.336 -16.829 1.00 23.12 H new ATOM 0 HB3 LYS A 65 -3.907 2.416 -16.260 1.00 23.12 H new ATOM 0 HG2 LYS A 65 -4.545 0.463 -15.255 1.00 12.01 H new ATOM 0 HG3 LYS A 65 -4.979 1.581 -13.977 1.00 12.01 H new ATOM 0 HD2 LYS A 65 -6.804 -0.001 -14.359 1.00 73.30 H new ATOM 0 HD3 LYS A 65 -7.320 1.621 -14.777 1.00 73.30 H new ATOM 0 HE2 LYS A 65 -6.746 1.092 -17.197 1.00 32.32 H new ATOM 0 HE3 LYS A 65 -6.456 -0.565 -16.707 1.00 32.32 H new ATOM 0 HZ1 LYS A 65 -8.693 -0.278 -17.545 1.00 3.51 H new ATOM 0 HZ2 LYS A 65 -8.739 -0.697 -15.900 1.00 3.51 H new ATOM 0 HZ3 LYS A 65 -9.020 0.908 -16.375 1.00 3.51 H new ATOM 1081 N ARG A 66 -7.074 3.567 -13.811 1.00 61.51 N ATOM 1082 CA ARG A 66 -8.462 3.701 -13.365 1.00 14.25 C ATOM 1083 C ARG A 66 -8.594 4.775 -12.297 1.00 73.34 C ATOM 1084 O ARG A 66 -9.627 4.893 -11.639 1.00 63.42 O ATOM 1085 CB ARG A 66 -9.037 2.355 -12.887 1.00 24.52 C ATOM 1086 CG ARG A 66 -8.170 1.584 -11.899 1.00 73.40 C ATOM 1087 CD ARG A 66 -8.278 2.116 -10.481 1.00 14.45 C ATOM 1088 NE ARG A 66 -7.358 1.422 -9.581 1.00 44.32 N ATOM 1089 CZ ARG A 66 -6.792 1.983 -8.516 1.00 64.21 C ATOM 1090 NH1 ARG A 66 -7.138 3.209 -8.147 1.00 72.03 N ATOM 1091 NH2 ARG A 66 -5.890 1.310 -7.813 1.00 24.12 N ATOM 0 H ARG A 66 -6.460 3.082 -13.156 1.00 61.51 H new ATOM 0 HA ARG A 66 -9.054 4.016 -14.224 1.00 14.25 H new ATOM 0 HB2 ARG A 66 -10.008 2.538 -12.426 1.00 24.52 H new ATOM 0 HB3 ARG A 66 -9.212 1.725 -13.759 1.00 24.52 H new ATOM 0 HG2 ARG A 66 -8.460 0.533 -11.911 1.00 73.40 H new ATOM 0 HG3 ARG A 66 -7.130 1.631 -12.222 1.00 73.40 H new ATOM 0 HD2 ARG A 66 -8.061 3.184 -10.474 1.00 14.45 H new ATOM 0 HD3 ARG A 66 -9.300 1.996 -10.122 1.00 14.45 H new ATOM 0 HE ARG A 66 -7.136 0.447 -9.782 1.00 44.32 H new ATOM 0 HH11 ARG A 66 -7.839 3.723 -8.680 1.00 72.03 H new ATOM 0 HH12 ARG A 66 -6.703 3.638 -7.330 1.00 72.03 H new ATOM 0 HH21 ARG A 66 -5.631 0.363 -8.089 1.00 24.12 H new ATOM 0 HH22 ARG A 66 -5.456 1.740 -6.996 1.00 24.12 H new ATOM 1105 N GLY A 67 -7.540 5.553 -12.132 1.00 40.33 N ATOM 1106 CA GLY A 67 -7.575 6.666 -11.212 1.00 4.44 C ATOM 1107 C GLY A 67 -6.829 7.862 -11.764 1.00 4.03 C ATOM 1108 O GLY A 67 -6.974 8.199 -12.940 1.00 12.10 O ATOM 0 H GLY A 67 -6.654 5.432 -12.623 1.00 40.33 H new ATOM 0 HA2 GLY A 67 -8.610 6.942 -11.011 1.00 4.44 H new ATOM 0 HA3 GLY A 67 -7.134 6.368 -10.261 1.00 4.44 H new ATOM 1112 N ALA A 68 -6.016 8.485 -10.928 1.00 22.22 N ATOM 1113 CA ALA A 68 -5.239 9.643 -11.334 1.00 72.32 C ATOM 1114 C ALA A 68 -3.858 9.603 -10.691 1.00 53.24 C ATOM 1115 O ALA A 68 -3.715 9.148 -9.553 1.00 75.13 O ATOM 1116 CB ALA A 68 -5.970 10.926 -10.962 1.00 21.14 C ATOM 0 H ALA A 68 -5.877 8.205 -9.957 1.00 22.22 H new ATOM 0 HA ALA A 68 -5.114 9.621 -12.417 1.00 72.32 H new ATOM 0 HB1 ALA A 68 -5.376 11.786 -11.272 1.00 21.14 H new ATOM 0 HB2 ALA A 68 -6.937 10.953 -11.464 1.00 21.14 H new ATOM 0 HB3 ALA A 68 -6.121 10.959 -9.883 1.00 21.14 H new ATOM 1122 N PRO A 69 -2.824 10.076 -11.412 1.00 24.15 N ATOM 1123 CA PRO A 69 -1.437 10.072 -10.927 1.00 62.24 C ATOM 1124 C PRO A 69 -1.272 10.836 -9.615 1.00 11.31 C ATOM 1125 O PRO A 69 -0.383 10.534 -8.820 1.00 34.43 O ATOM 1126 CB PRO A 69 -0.650 10.762 -12.052 1.00 65.40 C ATOM 1127 CG PRO A 69 -1.676 11.465 -12.874 1.00 50.21 C ATOM 1128 CD PRO A 69 -2.921 10.639 -12.767 1.00 50.53 C ATOM 0 HA PRO A 69 -1.093 9.060 -10.711 1.00 62.24 H new ATOM 0 HB2 PRO A 69 0.080 11.464 -11.649 1.00 65.40 H new ATOM 0 HB3 PRO A 69 -0.098 10.036 -12.649 1.00 65.40 H new ATOM 0 HG2 PRO A 69 -1.845 12.477 -12.506 1.00 50.21 H new ATOM 0 HG3 PRO A 69 -1.353 11.553 -13.911 1.00 50.21 H new ATOM 0 HD2 PRO A 69 -3.819 11.244 -12.890 1.00 50.53 H new ATOM 0 HD3 PRO A 69 -2.955 9.859 -13.527 1.00 50.53 H new ATOM 1136 N SER A 70 -2.145 11.812 -9.394 1.00 70.54 N ATOM 1137 CA SER A 70 -2.128 12.608 -8.174 1.00 23.54 C ATOM 1138 C SER A 70 -2.277 11.716 -6.940 1.00 25.21 C ATOM 1139 O SER A 70 -1.642 11.949 -5.911 1.00 42.44 O ATOM 1140 CB SER A 70 -3.259 13.634 -8.221 1.00 32.32 C ATOM 1141 OG SER A 70 -3.296 14.280 -9.483 1.00 14.10 O ATOM 0 H SER A 70 -2.880 12.072 -10.051 1.00 70.54 H new ATOM 0 HA SER A 70 -1.170 13.124 -8.105 1.00 23.54 H new ATOM 0 HB2 SER A 70 -4.212 13.141 -8.031 1.00 32.32 H new ATOM 0 HB3 SER A 70 -3.120 14.373 -7.432 1.00 32.32 H new ATOM 0 HG SER A 70 -4.027 14.932 -9.495 1.00 14.10 H new ATOM 1147 N ILE A 71 -3.109 10.687 -7.062 1.00 24.34 N ATOM 1148 CA ILE A 71 -3.354 9.765 -5.961 1.00 53.22 C ATOM 1149 C ILE A 71 -2.170 8.815 -5.790 1.00 73.51 C ATOM 1150 O ILE A 71 -1.745 8.539 -4.672 1.00 0.24 O ATOM 1151 CB ILE A 71 -4.665 8.950 -6.164 1.00 43.30 C ATOM 1152 CG1 ILE A 71 -5.904 9.855 -6.074 1.00 73.03 C ATOM 1153 CG2 ILE A 71 -4.771 7.830 -5.137 1.00 75.10 C ATOM 1154 CD1 ILE A 71 -6.132 10.721 -7.294 1.00 33.02 C ATOM 0 H ILE A 71 -3.626 10.471 -7.915 1.00 24.34 H new ATOM 0 HA ILE A 71 -3.472 10.363 -5.057 1.00 53.22 H new ATOM 0 HB ILE A 71 -4.626 8.514 -7.162 1.00 43.30 H new ATOM 0 HG12 ILE A 71 -6.784 9.232 -5.916 1.00 73.03 H new ATOM 0 HG13 ILE A 71 -5.807 10.498 -5.199 1.00 73.03 H new ATOM 0 HG21 ILE A 71 -5.695 7.274 -5.299 1.00 75.10 H new ATOM 0 HG22 ILE A 71 -3.920 7.157 -5.243 1.00 75.10 H new ATOM 0 HG23 ILE A 71 -4.774 8.256 -4.134 1.00 75.10 H new ATOM 0 HD11 ILE A 71 -7.026 11.328 -7.148 1.00 33.02 H new ATOM 0 HD12 ILE A 71 -5.271 11.373 -7.443 1.00 33.02 H new ATOM 0 HD13 ILE A 71 -6.263 10.087 -8.171 1.00 33.02 H new ATOM 1166 N ALA A 72 -1.618 8.358 -6.911 1.00 0.14 N ATOM 1167 CA ALA A 72 -0.523 7.388 -6.902 1.00 72.43 C ATOM 1168 C ALA A 72 0.652 7.857 -6.041 1.00 10.24 C ATOM 1169 O ALA A 72 1.213 7.079 -5.265 1.00 24.44 O ATOM 1170 CB ALA A 72 -0.055 7.121 -8.321 1.00 12.40 C ATOM 0 H ALA A 72 -1.913 8.646 -7.844 1.00 0.14 H new ATOM 0 HA ALA A 72 -0.904 6.466 -6.462 1.00 72.43 H new ATOM 0 HB1 ALA A 72 0.760 6.398 -8.305 1.00 12.40 H new ATOM 0 HB2 ALA A 72 -0.882 6.722 -8.908 1.00 12.40 H new ATOM 0 HB3 ALA A 72 0.294 8.051 -8.770 1.00 12.40 H new ATOM 1176 N ASN A 73 1.013 9.129 -6.183 1.00 64.13 N ATOM 1177 CA ASN A 73 2.119 9.710 -5.419 1.00 3.23 C ATOM 1178 C ASN A 73 1.827 9.656 -3.928 1.00 3.32 C ATOM 1179 O ASN A 73 2.676 9.265 -3.124 1.00 41.41 O ATOM 1180 CB ASN A 73 2.355 11.163 -5.836 1.00 73.01 C ATOM 1181 CG ASN A 73 2.679 11.303 -7.308 1.00 70.34 C ATOM 1182 OD1 ASN A 73 3.294 10.424 -7.910 1.00 11.44 O ATOM 1183 ND2 ASN A 73 2.264 12.409 -7.899 1.00 25.34 N ATOM 0 H ASN A 73 0.556 9.781 -6.821 1.00 64.13 H new ATOM 0 HA ASN A 73 3.015 9.126 -5.630 1.00 3.23 H new ATOM 0 HB2 ASN A 73 1.467 11.752 -5.606 1.00 73.01 H new ATOM 0 HB3 ASN A 73 3.173 11.577 -5.247 1.00 73.01 H new ATOM 0 HD21 ASN A 73 2.451 12.558 -8.891 1.00 25.34 H new ATOM 0 HD22 ASN A 73 1.757 13.114 -7.364 1.00 25.34 H new ATOM 1190 N ASP A 74 0.616 10.047 -3.570 1.00 63.05 N ATOM 1191 CA ASP A 74 0.184 10.037 -2.175 1.00 44.15 C ATOM 1192 C ASP A 74 0.175 8.614 -1.620 1.00 43.21 C ATOM 1193 O ASP A 74 0.583 8.379 -0.481 1.00 22.05 O ATOM 1194 CB ASP A 74 -1.206 10.661 -2.046 1.00 73.35 C ATOM 1195 CG ASP A 74 -1.683 10.731 -0.606 1.00 1.13 C ATOM 1196 OD1 ASP A 74 -2.290 9.754 -0.127 1.00 42.24 O ATOM 1197 OD2 ASP A 74 -1.462 11.774 0.051 1.00 21.44 O ATOM 0 H ASP A 74 -0.091 10.377 -4.226 1.00 63.05 H new ATOM 0 HA ASP A 74 0.892 10.628 -1.594 1.00 44.15 H new ATOM 0 HB2 ASP A 74 -1.190 11.666 -2.469 1.00 73.35 H new ATOM 0 HB3 ASP A 74 -1.917 10.080 -2.633 1.00 73.35 H new ATOM 1202 N THR A 75 -0.277 7.669 -2.438 1.00 64.05 N ATOM 1203 CA THR A 75 -0.303 6.262 -2.055 1.00 31.05 C ATOM 1204 C THR A 75 1.106 5.752 -1.728 1.00 34.21 C ATOM 1205 O THR A 75 1.292 4.983 -0.784 1.00 42.33 O ATOM 1206 CB THR A 75 -0.925 5.397 -3.173 1.00 14.13 C ATOM 1207 OG1 THR A 75 -2.221 5.904 -3.508 1.00 34.11 O ATOM 1208 CG2 THR A 75 -1.051 3.943 -2.744 1.00 52.22 C ATOM 0 H THR A 75 -0.632 7.854 -3.376 1.00 64.05 H new ATOM 0 HA THR A 75 -0.920 6.179 -1.161 1.00 31.05 H new ATOM 0 HB THR A 75 -0.267 5.444 -4.041 1.00 14.13 H new ATOM 0 HG1 THR A 75 -2.126 6.759 -3.977 1.00 34.11 H new ATOM 0 HG21 THR A 75 -1.492 3.362 -3.554 1.00 52.22 H new ATOM 0 HG22 THR A 75 -0.063 3.546 -2.509 1.00 52.22 H new ATOM 0 HG23 THR A 75 -1.688 3.878 -1.862 1.00 52.22 H new ATOM 1216 N LEU A 76 2.097 6.200 -2.498 1.00 30.24 N ATOM 1217 CA LEU A 76 3.488 5.828 -2.251 1.00 3.25 C ATOM 1218 C LEU A 76 3.949 6.322 -0.882 1.00 35.24 C ATOM 1219 O LEU A 76 4.689 5.632 -0.176 1.00 21.31 O ATOM 1220 CB LEU A 76 4.401 6.388 -3.349 1.00 21.51 C ATOM 1221 CG LEU A 76 4.271 5.711 -4.715 1.00 70.21 C ATOM 1222 CD1 LEU A 76 5.131 6.424 -5.744 1.00 14.44 C ATOM 1223 CD2 LEU A 76 4.674 4.247 -4.616 1.00 22.22 C ATOM 0 H LEU A 76 1.962 6.820 -3.297 1.00 30.24 H new ATOM 0 HA LEU A 76 3.551 4.740 -2.265 1.00 3.25 H new ATOM 0 HB2 LEU A 76 4.190 7.451 -3.467 1.00 21.51 H new ATOM 0 HB3 LEU A 76 5.436 6.303 -3.017 1.00 21.51 H new ATOM 0 HG LEU A 76 3.230 5.768 -5.034 1.00 70.21 H new ATOM 0 HD11 LEU A 76 5.027 5.930 -6.710 1.00 14.44 H new ATOM 0 HD12 LEU A 76 4.809 7.462 -5.831 1.00 14.44 H new ATOM 0 HD13 LEU A 76 6.175 6.393 -5.431 1.00 14.44 H new ATOM 0 HD21 LEU A 76 4.577 3.776 -5.594 1.00 22.22 H new ATOM 0 HD22 LEU A 76 5.708 4.176 -4.280 1.00 22.22 H new ATOM 0 HD23 LEU A 76 4.025 3.738 -3.903 1.00 22.22 H new ATOM 1235 N ARG A 77 3.497 7.513 -0.506 1.00 62.14 N ATOM 1236 CA ARG A 77 3.825 8.074 0.798 1.00 24.45 C ATOM 1237 C ARG A 77 3.160 7.259 1.904 1.00 62.10 C ATOM 1238 O ARG A 77 3.732 7.054 2.979 1.00 3.43 O ATOM 1239 CB ARG A 77 3.377 9.533 0.875 1.00 63.11 C ATOM 1240 CG ARG A 77 3.838 10.241 2.133 1.00 3.42 C ATOM 1241 CD ARG A 77 3.391 11.691 2.154 1.00 11.24 C ATOM 1242 NE ARG A 77 4.066 12.445 3.208 1.00 54.14 N ATOM 1243 CZ ARG A 77 4.535 13.684 3.061 1.00 13.03 C ATOM 1244 NH1 ARG A 77 4.300 14.362 1.940 1.00 24.22 N ATOM 1245 NH2 ARG A 77 5.210 14.256 4.049 1.00 75.33 N ATOM 0 H ARG A 77 2.904 8.107 -1.085 1.00 62.14 H new ATOM 0 HA ARG A 77 4.906 8.034 0.934 1.00 24.45 H new ATOM 0 HB2 ARG A 77 3.759 10.068 0.006 1.00 63.11 H new ATOM 0 HB3 ARG A 77 2.289 9.574 0.822 1.00 63.11 H new ATOM 0 HG2 ARG A 77 3.442 9.725 3.008 1.00 3.42 H new ATOM 0 HG3 ARG A 77 4.925 10.194 2.200 1.00 3.42 H new ATOM 0 HD2 ARG A 77 3.598 12.150 1.187 1.00 11.24 H new ATOM 0 HD3 ARG A 77 2.313 11.738 2.305 1.00 11.24 H new ATOM 0 HE ARG A 77 4.186 11.994 4.115 1.00 54.14 H new ATOM 0 HH11 ARG A 77 3.759 13.934 1.189 1.00 24.22 H new ATOM 0 HH12 ARG A 77 4.661 15.310 1.832 1.00 24.22 H new ATOM 0 HH21 ARG A 77 5.369 13.748 4.919 1.00 75.33 H new ATOM 0 HH22 ARG A 77 5.570 15.204 3.939 1.00 75.33 H new ATOM 1259 N TRP A 78 1.948 6.799 1.625 1.00 34.31 N ATOM 1260 CA TRP A 78 1.196 5.971 2.560 1.00 71.11 C ATOM 1261 C TRP A 78 1.879 4.612 2.729 1.00 3.02 C ATOM 1262 O TRP A 78 1.964 4.078 3.837 1.00 23.23 O ATOM 1263 CB TRP A 78 -0.238 5.794 2.051 1.00 51.22 C ATOM 1264 CG TRP A 78 -1.212 5.335 3.094 1.00 1.35 C ATOM 1265 CD1 TRP A 78 -1.619 4.056 3.337 1.00 13.23 C ATOM 1266 CD2 TRP A 78 -1.921 6.165 4.023 1.00 12.54 C ATOM 1267 NE1 TRP A 78 -2.537 4.039 4.360 1.00 32.42 N ATOM 1268 CE2 TRP A 78 -2.735 5.321 4.799 1.00 73.23 C ATOM 1269 CE3 TRP A 78 -1.944 7.539 4.275 1.00 44.24 C ATOM 1270 CZ2 TRP A 78 -3.564 5.806 5.806 1.00 52.42 C ATOM 1271 CZ3 TRP A 78 -2.766 8.020 5.276 1.00 25.34 C ATOM 1272 CH2 TRP A 78 -3.565 7.157 6.032 1.00 34.41 C ATOM 0 H TRP A 78 1.460 6.987 0.749 1.00 34.31 H new ATOM 0 HA TRP A 78 1.167 6.462 3.533 1.00 71.11 H new ATOM 0 HB2 TRP A 78 -0.584 6.742 1.640 1.00 51.22 H new ATOM 0 HB3 TRP A 78 -0.234 5.074 1.233 1.00 51.22 H new ATOM 0 HD1 TRP A 78 -1.271 3.184 2.803 1.00 13.23 H new ATOM 0 HE1 TRP A 78 -2.996 3.207 4.732 1.00 32.42 H new ATOM 0 HE3 TRP A 78 -1.330 8.214 3.697 1.00 44.24 H new ATOM 0 HZ2 TRP A 78 -4.184 5.141 6.388 1.00 52.42 H new ATOM 0 HZ3 TRP A 78 -2.792 9.081 5.478 1.00 25.34 H new ATOM 0 HH2 TRP A 78 -4.195 7.563 6.809 1.00 34.41 H new ATOM 1283 N LEU A 79 2.380 4.071 1.620 1.00 20.31 N ATOM 1284 CA LEU A 79 3.113 2.808 1.631 1.00 62.52 C ATOM 1285 C LEU A 79 4.349 2.903 2.514 1.00 61.45 C ATOM 1286 O LEU A 79 4.653 1.980 3.269 1.00 32.41 O ATOM 1287 CB LEU A 79 3.528 2.418 0.209 1.00 22.43 C ATOM 1288 CG LEU A 79 2.375 2.106 -0.744 1.00 30.01 C ATOM 1289 CD1 LEU A 79 2.894 1.875 -2.154 1.00 34.15 C ATOM 1290 CD2 LEU A 79 1.600 0.892 -0.258 1.00 13.20 C ATOM 0 H LEU A 79 2.290 4.492 0.696 1.00 20.31 H new ATOM 0 HA LEU A 79 2.451 2.042 2.036 1.00 62.52 H new ATOM 0 HB2 LEU A 79 4.119 3.230 -0.215 1.00 22.43 H new ATOM 0 HB3 LEU A 79 4.179 1.545 0.264 1.00 22.43 H new ATOM 0 HG LEU A 79 1.702 2.963 -0.762 1.00 30.01 H new ATOM 0 HD11 LEU A 79 2.058 1.654 -2.818 1.00 34.15 H new ATOM 0 HD12 LEU A 79 3.408 2.770 -2.504 1.00 34.15 H new ATOM 0 HD13 LEU A 79 3.588 1.035 -2.153 1.00 34.15 H new ATOM 0 HD21 LEU A 79 0.782 0.683 -0.947 1.00 13.20 H new ATOM 0 HD22 LEU A 79 2.266 0.030 -0.212 1.00 13.20 H new ATOM 0 HD23 LEU A 79 1.196 1.092 0.734 1.00 13.20 H new ATOM 1302 N LYS A 80 5.053 4.024 2.410 1.00 53.14 N ATOM 1303 CA LYS A 80 6.239 4.278 3.200 1.00 12.23 C ATOM 1304 C LYS A 80 5.948 4.092 4.684 1.00 45.44 C ATOM 1305 O LYS A 80 6.612 3.312 5.368 1.00 31.11 O ATOM 1306 CB LYS A 80 6.678 5.704 2.938 1.00 3.31 C ATOM 1307 CG LYS A 80 8.006 6.068 3.548 1.00 24.13 C ATOM 1308 CD LYS A 80 8.197 7.567 3.520 1.00 23.23 C ATOM 1309 CE LYS A 80 8.008 8.139 2.122 1.00 61.21 C ATOM 1310 NZ LYS A 80 9.120 7.771 1.207 1.00 71.44 N ATOM 0 H LYS A 80 4.812 4.782 1.771 1.00 53.14 H new ATOM 0 HA LYS A 80 7.025 3.576 2.922 1.00 12.23 H new ATOM 0 HB2 LYS A 80 6.731 5.863 1.861 1.00 3.31 H new ATOM 0 HB3 LYS A 80 5.917 6.382 3.323 1.00 3.31 H new ATOM 0 HG2 LYS A 80 8.054 5.707 4.575 1.00 24.13 H new ATOM 0 HG3 LYS A 80 8.812 5.581 3.000 1.00 24.13 H new ATOM 0 HD2 LYS A 80 7.488 8.036 4.203 1.00 23.23 H new ATOM 0 HD3 LYS A 80 9.196 7.812 3.880 1.00 23.23 H new ATOM 0 HE2 LYS A 80 7.066 7.779 1.709 1.00 61.21 H new ATOM 0 HE3 LYS A 80 7.935 9.225 2.183 1.00 61.21 H new ATOM 0 HZ1 LYS A 80 8.947 8.183 0.268 1.00 71.44 H new ATOM 0 HZ2 LYS A 80 10.017 8.137 1.586 1.00 71.44 H new ATOM 0 HZ3 LYS A 80 9.175 6.736 1.126 1.00 71.44 H new ATOM 1324 N ARG A 81 4.948 4.825 5.162 1.00 23.44 N ATOM 1325 CA ARG A 81 4.501 4.726 6.550 1.00 41.35 C ATOM 1326 C ARG A 81 4.177 3.280 6.924 1.00 10.33 C ATOM 1327 O ARG A 81 4.574 2.794 7.986 1.00 25.12 O ATOM 1328 CB ARG A 81 3.249 5.579 6.765 1.00 71.23 C ATOM 1329 CG ARG A 81 3.434 7.062 6.496 1.00 3.31 C ATOM 1330 CD ARG A 81 2.097 7.787 6.555 1.00 2.44 C ATOM 1331 NE ARG A 81 2.235 9.236 6.413 1.00 10.03 N ATOM 1332 CZ ARG A 81 1.567 9.966 5.515 1.00 12.02 C ATOM 1333 NH1 ARG A 81 0.789 9.369 4.618 1.00 22.23 N ATOM 1334 NH2 ARG A 81 1.690 11.286 5.508 1.00 55.14 N ATOM 0 H ARG A 81 4.426 5.501 4.604 1.00 23.44 H new ATOM 0 HA ARG A 81 5.313 5.086 7.182 1.00 41.35 H new ATOM 0 HB2 ARG A 81 2.455 5.203 6.119 1.00 71.23 H new ATOM 0 HB3 ARG A 81 2.911 5.450 7.793 1.00 71.23 H new ATOM 0 HG2 ARG A 81 4.118 7.488 7.230 1.00 3.31 H new ATOM 0 HG3 ARG A 81 3.889 7.206 5.516 1.00 3.31 H new ATOM 0 HD2 ARG A 81 1.448 7.409 5.765 1.00 2.44 H new ATOM 0 HD3 ARG A 81 1.609 7.564 7.504 1.00 2.44 H new ATOM 0 HE ARG A 81 2.881 9.719 7.038 1.00 10.03 H new ATOM 0 HH11 ARG A 81 0.701 8.353 4.615 1.00 22.23 H new ATOM 0 HH12 ARG A 81 0.279 9.927 3.933 1.00 22.23 H new ATOM 0 HH21 ARG A 81 2.295 11.745 6.189 1.00 55.14 H new ATOM 0 HH22 ARG A 81 1.180 11.842 4.822 1.00 55.14 H new ATOM 1348 N MET A 82 3.456 2.603 6.035 1.00 54.52 N ATOM 1349 CA MET A 82 2.978 1.247 6.285 1.00 3.50 C ATOM 1350 C MET A 82 4.136 0.258 6.417 1.00 31.12 C ATOM 1351 O MET A 82 4.196 -0.515 7.375 1.00 4.11 O ATOM 1352 CB MET A 82 2.037 0.816 5.156 1.00 22.12 C ATOM 1353 CG MET A 82 1.395 -0.545 5.369 1.00 22.12 C ATOM 1354 SD MET A 82 0.229 -0.973 4.058 1.00 72.44 S ATOM 1355 CE MET A 82 -0.976 0.344 4.237 1.00 45.34 C ATOM 0 H MET A 82 3.188 2.977 5.125 1.00 54.52 H new ATOM 0 HA MET A 82 2.436 1.246 7.231 1.00 3.50 H new ATOM 0 HB2 MET A 82 1.251 1.563 5.047 1.00 22.12 H new ATOM 0 HB3 MET A 82 2.594 0.800 4.219 1.00 22.12 H new ATOM 0 HG2 MET A 82 2.174 -1.306 5.421 1.00 22.12 H new ATOM 0 HG3 MET A 82 0.877 -0.553 6.328 1.00 22.12 H new ATOM 0 HE1 MET A 82 -1.890 0.075 3.707 1.00 45.34 H new ATOM 0 HE2 MET A 82 -1.199 0.492 5.294 1.00 45.34 H new ATOM 0 HE3 MET A 82 -0.572 1.266 3.819 1.00 45.34 H new ATOM 1365 N PHE A 83 5.058 0.290 5.461 1.00 52.24 N ATOM 1366 CA PHE A 83 6.188 -0.632 5.472 1.00 72.10 C ATOM 1367 C PHE A 83 7.139 -0.327 6.624 1.00 64.54 C ATOM 1368 O PHE A 83 7.709 -1.239 7.219 1.00 72.22 O ATOM 1369 CB PHE A 83 6.942 -0.594 4.140 1.00 42.14 C ATOM 1370 CG PHE A 83 6.204 -1.257 3.007 1.00 33.21 C ATOM 1371 CD1 PHE A 83 5.997 -2.627 3.009 1.00 73.12 C ATOM 1372 CD2 PHE A 83 5.721 -0.513 1.944 1.00 72.01 C ATOM 1373 CE1 PHE A 83 5.321 -3.242 1.972 1.00 42.21 C ATOM 1374 CE2 PHE A 83 5.044 -1.122 0.903 1.00 64.52 C ATOM 1375 CZ PHE A 83 4.844 -2.490 0.917 1.00 4.23 C ATOM 0 H PHE A 83 5.046 0.939 4.674 1.00 52.24 H new ATOM 0 HA PHE A 83 5.788 -1.636 5.615 1.00 72.10 H new ATOM 0 HB2 PHE A 83 7.140 0.444 3.874 1.00 42.14 H new ATOM 0 HB3 PHE A 83 7.909 -1.081 4.266 1.00 42.14 H new ATOM 0 HD1 PHE A 83 6.368 -3.221 3.831 1.00 73.12 H new ATOM 0 HD2 PHE A 83 5.875 0.556 1.927 1.00 72.01 H new ATOM 0 HE1 PHE A 83 5.166 -4.311 1.987 1.00 42.21 H new ATOM 0 HE2 PHE A 83 4.672 -0.530 0.080 1.00 64.52 H new ATOM 0 HZ PHE A 83 4.316 -2.969 0.105 1.00 4.23 H new ATOM 1385 N ASN A 84 7.299 0.953 6.948 1.00 21.54 N ATOM 1386 CA ASN A 84 8.186 1.358 8.037 1.00 30.12 C ATOM 1387 C ASN A 84 7.694 0.800 9.371 1.00 0.43 C ATOM 1388 O ASN A 84 8.486 0.419 10.234 1.00 41.24 O ATOM 1389 CB ASN A 84 8.293 2.885 8.108 1.00 73.20 C ATOM 1390 CG ASN A 84 9.248 3.355 9.191 1.00 63.01 C ATOM 1391 OD1 ASN A 84 10.456 3.435 8.971 1.00 23.23 O ATOM 1392 ND2 ASN A 84 8.720 3.688 10.360 1.00 31.02 N ATOM 0 H ASN A 84 6.829 1.725 6.475 1.00 21.54 H new ATOM 0 HA ASN A 84 9.176 0.950 7.836 1.00 30.12 H new ATOM 0 HB2 ASN A 84 8.627 3.267 7.143 1.00 73.20 H new ATOM 0 HB3 ASN A 84 7.305 3.306 8.293 1.00 73.20 H new ATOM 0 HD21 ASN A 84 9.320 4.024 11.114 1.00 31.02 H new ATOM 0 HD22 ASN A 84 7.714 3.609 10.506 1.00 31.02 H new ATOM 1399 N TYR A 85 6.378 0.733 9.518 1.00 33.11 N ATOM 1400 CA TYR A 85 5.756 0.199 10.723 1.00 22.42 C ATOM 1401 C TYR A 85 6.018 -1.303 10.838 1.00 42.31 C ATOM 1402 O TYR A 85 6.175 -1.837 11.936 1.00 74.24 O ATOM 1403 CB TYR A 85 4.250 0.503 10.697 1.00 52.33 C ATOM 1404 CG TYR A 85 3.462 -0.034 11.872 1.00 61.12 C ATOM 1405 CD1 TYR A 85 3.818 0.267 13.181 1.00 14.14 C ATOM 1406 CD2 TYR A 85 2.347 -0.834 11.664 1.00 52.24 C ATOM 1407 CE1 TYR A 85 3.086 -0.220 14.248 1.00 5.04 C ATOM 1408 CE2 TYR A 85 1.611 -1.322 12.723 1.00 13.12 C ATOM 1409 CZ TYR A 85 1.984 -1.015 14.014 1.00 62.52 C ATOM 1410 OH TYR A 85 1.244 -1.498 15.073 1.00 4.24 O ATOM 0 H TYR A 85 5.714 1.045 8.810 1.00 33.11 H new ATOM 0 HA TYR A 85 6.192 0.676 11.600 1.00 22.42 H new ATOM 0 HB2 TYR A 85 4.115 1.584 10.653 1.00 52.33 H new ATOM 0 HB3 TYR A 85 3.829 0.092 9.780 1.00 52.33 H new ATOM 0 HD1 TYR A 85 4.680 0.891 13.368 1.00 14.14 H new ATOM 0 HD2 TYR A 85 2.051 -1.079 10.655 1.00 52.24 H new ATOM 0 HE1 TYR A 85 3.376 0.021 15.260 1.00 5.04 H new ATOM 0 HE2 TYR A 85 0.746 -1.942 12.542 1.00 13.12 H new ATOM 0 HH TYR A 85 0.832 -2.351 14.822 1.00 4.24 H new ATOM 1420 N ALA A 86 6.075 -1.979 9.704 1.00 65.13 N ATOM 1421 CA ALA A 86 6.407 -3.395 9.688 1.00 45.03 C ATOM 1422 C ALA A 86 7.896 -3.596 9.958 1.00 64.45 C ATOM 1423 O ALA A 86 8.291 -4.566 10.605 1.00 55.15 O ATOM 1424 CB ALA A 86 6.012 -4.019 8.359 1.00 41.42 C ATOM 0 H ALA A 86 5.897 -1.574 8.785 1.00 65.13 H new ATOM 0 HA ALA A 86 5.845 -3.892 10.479 1.00 45.03 H new ATOM 0 HB1 ALA A 86 6.268 -5.079 8.364 1.00 41.42 H new ATOM 0 HB2 ALA A 86 4.938 -3.905 8.208 1.00 41.42 H new ATOM 0 HB3 ALA A 86 6.546 -3.521 7.550 1.00 41.42 H new ATOM 1430 N ILE A 87 8.716 -2.672 9.468 1.00 30.10 N ATOM 1431 CA ILE A 87 10.157 -2.729 9.698 1.00 22.23 C ATOM 1432 C ILE A 87 10.473 -2.578 11.182 1.00 71.04 C ATOM 1433 O ILE A 87 11.234 -3.369 11.746 1.00 34.31 O ATOM 1434 CB ILE A 87 10.915 -1.642 8.900 1.00 61.42 C ATOM 1435 CG1 ILE A 87 10.744 -1.872 7.398 1.00 42.23 C ATOM 1436 CG2 ILE A 87 12.396 -1.635 9.273 1.00 31.30 C ATOM 1437 CD1 ILE A 87 11.427 -0.831 6.541 1.00 13.41 C ATOM 0 H ILE A 87 8.409 -1.875 8.910 1.00 30.10 H new ATOM 0 HA ILE A 87 10.493 -3.706 9.350 1.00 22.23 H new ATOM 0 HB ILE A 87 10.493 -0.670 9.155 1.00 61.42 H new ATOM 0 HG12 ILE A 87 11.139 -2.855 7.143 1.00 42.23 H new ATOM 0 HG13 ILE A 87 9.680 -1.884 7.160 1.00 42.23 H new ATOM 0 HG21 ILE A 87 12.912 -0.864 8.701 1.00 31.30 H new ATOM 0 HG22 ILE A 87 12.502 -1.429 10.338 1.00 31.30 H new ATOM 0 HG23 ILE A 87 12.833 -2.608 9.047 1.00 31.30 H new ATOM 0 HD11 ILE A 87 11.262 -1.061 5.488 1.00 13.41 H new ATOM 0 HD12 ILE A 87 11.016 0.153 6.767 1.00 13.41 H new ATOM 0 HD13 ILE A 87 12.497 -0.833 6.749 1.00 13.41 H new ATOM 1449 N LYS A 88 9.874 -1.576 11.821 1.00 54.31 N ATOM 1450 CA LYS A 88 10.129 -1.322 13.234 1.00 24.44 C ATOM 1451 C LYS A 88 9.631 -2.478 14.096 1.00 54.51 C ATOM 1452 O LYS A 88 10.179 -2.745 15.166 1.00 62.30 O ATOM 1453 CB LYS A 88 9.500 -0.004 13.692 1.00 12.40 C ATOM 1454 CG LYS A 88 7.985 0.032 13.617 1.00 3.31 C ATOM 1455 CD LYS A 88 7.434 1.298 14.248 1.00 11.50 C ATOM 1456 CE LYS A 88 7.979 2.542 13.566 1.00 22.44 C ATOM 1457 NZ LYS A 88 7.564 3.785 14.268 1.00 34.43 N ATOM 0 H LYS A 88 9.214 -0.932 11.386 1.00 54.31 H new ATOM 0 HA LYS A 88 11.209 -1.238 13.358 1.00 24.44 H new ATOM 0 HB2 LYS A 88 9.805 0.191 14.720 1.00 12.40 H new ATOM 0 HB3 LYS A 88 9.900 0.806 13.082 1.00 12.40 H new ATOM 0 HG2 LYS A 88 7.668 -0.026 12.576 1.00 3.31 H new ATOM 0 HG3 LYS A 88 7.572 -0.840 14.125 1.00 3.31 H new ATOM 0 HD2 LYS A 88 6.346 1.294 14.184 1.00 11.50 H new ATOM 0 HD3 LYS A 88 7.691 1.320 15.307 1.00 11.50 H new ATOM 0 HE2 LYS A 88 9.067 2.490 13.532 1.00 22.44 H new ATOM 0 HE3 LYS A 88 7.629 2.573 12.534 1.00 22.44 H new ATOM 0 HZ1 LYS A 88 7.956 4.611 13.772 1.00 34.43 H new ATOM 0 HZ2 LYS A 88 6.526 3.848 14.279 1.00 34.43 H new ATOM 0 HZ3 LYS A 88 7.920 3.767 15.245 1.00 34.43 H new ATOM 1471 N ARG A 89 8.608 -3.178 13.612 1.00 42.12 N ATOM 1472 CA ARG A 89 8.052 -4.317 14.335 1.00 44.53 C ATOM 1473 C ARG A 89 8.829 -5.599 14.012 1.00 71.44 C ATOM 1474 O ARG A 89 8.445 -6.696 14.427 1.00 0.33 O ATOM 1475 CB ARG A 89 6.567 -4.498 14.001 1.00 0.34 C ATOM 1476 CG ARG A 89 5.863 -5.468 14.938 1.00 55.45 C ATOM 1477 CD ARG A 89 4.388 -5.613 14.622 1.00 4.32 C ATOM 1478 NE ARG A 89 3.746 -6.585 15.508 1.00 34.44 N ATOM 1479 CZ ARG A 89 2.451 -6.585 15.803 1.00 74.04 C ATOM 1480 NH1 ARG A 89 1.661 -5.637 15.324 1.00 30.32 N ATOM 1481 NH2 ARG A 89 1.944 -7.524 16.587 1.00 14.51 N ATOM 0 H ARG A 89 8.148 -2.977 12.724 1.00 42.12 H new ATOM 0 HA ARG A 89 8.146 -4.117 15.402 1.00 44.53 H new ATOM 0 HB2 ARG A 89 6.069 -3.530 14.048 1.00 0.34 H new ATOM 0 HB3 ARG A 89 6.471 -4.857 12.976 1.00 0.34 H new ATOM 0 HG2 ARG A 89 6.343 -6.444 14.872 1.00 55.45 H new ATOM 0 HG3 ARG A 89 5.979 -5.124 15.966 1.00 55.45 H new ATOM 0 HD2 ARG A 89 3.896 -4.646 14.723 1.00 4.32 H new ATOM 0 HD3 ARG A 89 4.265 -5.927 13.585 1.00 4.32 H new ATOM 0 HE ARG A 89 4.331 -7.309 15.926 1.00 34.44 H new ATOM 0 HH11 ARG A 89 2.047 -4.905 14.727 1.00 30.32 H new ATOM 0 HH12 ARG A 89 0.667 -5.639 15.552 1.00 30.32 H new ATOM 0 HH21 ARG A 89 2.549 -8.252 16.968 1.00 14.51 H new ATOM 0 HH22 ARG A 89 0.949 -7.519 16.810 1.00 14.51 H new ATOM 1495 N HIS A 90 9.922 -5.449 13.264 1.00 35.44 N ATOM 1496 CA HIS A 90 10.824 -6.563 12.949 1.00 15.33 C ATOM 1497 C HIS A 90 10.179 -7.572 12.004 1.00 71.52 C ATOM 1498 O HIS A 90 10.462 -8.766 12.069 1.00 52.02 O ATOM 1499 CB HIS A 90 11.296 -7.265 14.228 1.00 50.31 C ATOM 1500 CG HIS A 90 12.234 -6.441 15.050 1.00 44.33 C ATOM 1501 ND1 HIS A 90 11.964 -6.045 16.342 1.00 21.11 N ATOM 1502 CD2 HIS A 90 13.456 -5.949 14.756 1.00 63.45 C ATOM 1503 CE1 HIS A 90 12.980 -5.341 16.805 1.00 65.24 C ATOM 1504 NE2 HIS A 90 13.899 -5.269 15.861 1.00 54.41 N ATOM 0 H HIS A 90 10.209 -4.557 12.860 1.00 35.44 H new ATOM 0 HA HIS A 90 11.688 -6.136 12.440 1.00 15.33 H new ATOM 0 HB2 HIS A 90 10.427 -7.523 14.833 1.00 50.31 H new ATOM 0 HB3 HIS A 90 11.787 -8.200 13.959 1.00 50.31 H new ATOM 0 HD2 HIS A 90 13.987 -6.069 13.823 1.00 63.45 H new ATOM 0 HE1 HIS A 90 13.048 -4.899 17.788 1.00 65.24 H new ATOM 0 HE2 HIS A 90 14.794 -4.786 15.940 1.00 54.41 H new ATOM 1513 N ILE A 91 9.333 -7.084 11.109 1.00 35.11 N ATOM 1514 CA ILE A 91 8.736 -7.939 10.092 1.00 50.34 C ATOM 1515 C ILE A 91 9.627 -7.962 8.857 1.00 34.32 C ATOM 1516 O ILE A 91 10.123 -9.014 8.449 1.00 4.15 O ATOM 1517 CB ILE A 91 7.318 -7.468 9.692 1.00 75.34 C ATOM 1518 CG1 ILE A 91 6.401 -7.438 10.917 1.00 14.33 C ATOM 1519 CG2 ILE A 91 6.742 -8.375 8.611 1.00 1.33 C ATOM 1520 CD1 ILE A 91 4.998 -6.950 10.616 1.00 34.02 C ATOM 0 H ILE A 91 9.045 -6.106 11.065 1.00 35.11 H new ATOM 0 HA ILE A 91 8.647 -8.939 10.516 1.00 50.34 H new ATOM 0 HB ILE A 91 7.387 -6.457 9.290 1.00 75.34 H new ATOM 0 HG12 ILE A 91 6.344 -8.440 11.342 1.00 14.33 H new ATOM 0 HG13 ILE A 91 6.845 -6.794 11.676 1.00 14.33 H new ATOM 0 HG21 ILE A 91 5.744 -8.030 8.341 1.00 1.33 H new ATOM 0 HG22 ILE A 91 7.386 -8.348 7.732 1.00 1.33 H new ATOM 0 HG23 ILE A 91 6.684 -9.397 8.986 1.00 1.33 H new ATOM 0 HD11 ILE A 91 4.406 -6.956 11.531 1.00 34.02 H new ATOM 0 HD12 ILE A 91 5.043 -5.936 10.220 1.00 34.02 H new ATOM 0 HD13 ILE A 91 4.534 -7.607 9.880 1.00 34.02 H new ATOM 1532 N ILE A 92 9.841 -6.788 8.280 1.00 62.42 N ATOM 1533 CA ILE A 92 10.690 -6.658 7.107 1.00 74.40 C ATOM 1534 C ILE A 92 11.891 -5.779 7.416 1.00 32.14 C ATOM 1535 O ILE A 92 11.961 -5.167 8.481 1.00 4.51 O ATOM 1536 CB ILE A 92 9.923 -6.077 5.902 1.00 40.32 C ATOM 1537 CG1 ILE A 92 9.205 -4.782 6.292 1.00 31.14 C ATOM 1538 CG2 ILE A 92 8.937 -7.098 5.366 1.00 15.51 C ATOM 1539 CD1 ILE A 92 8.489 -4.114 5.139 1.00 4.40 C ATOM 0 H ILE A 92 9.437 -5.911 8.607 1.00 62.42 H new ATOM 0 HA ILE A 92 11.027 -7.660 6.842 1.00 74.40 H new ATOM 0 HB ILE A 92 10.639 -5.842 5.115 1.00 40.32 H new ATOM 0 HG12 ILE A 92 8.483 -5.000 7.079 1.00 31.14 H new ATOM 0 HG13 ILE A 92 9.932 -4.085 6.710 1.00 31.14 H new ATOM 0 HG21 ILE A 92 8.402 -6.675 4.516 1.00 15.51 H new ATOM 0 HG22 ILE A 92 9.475 -7.991 5.049 1.00 15.51 H new ATOM 0 HG23 ILE A 92 8.225 -7.362 6.148 1.00 15.51 H new ATOM 0 HD11 ILE A 92 8.004 -3.203 5.490 1.00 4.40 H new ATOM 0 HD12 ILE A 92 9.209 -3.864 4.360 1.00 4.40 H new ATOM 0 HD13 ILE A 92 7.738 -4.793 4.735 1.00 4.40 H new ATOM 1551 N GLU A 93 12.832 -5.717 6.485 1.00 61.50 N ATOM 1552 CA GLU A 93 14.058 -4.960 6.692 1.00 41.53 C ATOM 1553 C GLU A 93 14.241 -3.901 5.601 1.00 1.51 C ATOM 1554 O GLU A 93 15.084 -3.012 5.717 1.00 22.05 O ATOM 1555 CB GLU A 93 15.244 -5.927 6.727 1.00 13.32 C ATOM 1556 CG GLU A 93 16.573 -5.282 7.074 1.00 55.42 C ATOM 1557 CD GLU A 93 17.657 -6.310 7.311 1.00 10.51 C ATOM 1558 OE1 GLU A 93 18.248 -6.797 6.328 1.00 61.41 O ATOM 1559 OE2 GLU A 93 17.912 -6.645 8.486 1.00 14.03 O ATOM 0 H GLU A 93 12.770 -6.182 5.579 1.00 61.50 H new ATOM 0 HA GLU A 93 13.998 -4.433 7.644 1.00 41.53 H new ATOM 0 HB2 GLU A 93 15.035 -6.712 7.454 1.00 13.32 H new ATOM 0 HB3 GLU A 93 15.332 -6.409 5.753 1.00 13.32 H new ATOM 0 HG2 GLU A 93 16.875 -4.616 6.265 1.00 55.42 H new ATOM 0 HG3 GLU A 93 16.455 -4.667 7.966 1.00 55.42 H new ATOM 1566 N TYR A 94 13.427 -3.982 4.555 1.00 42.42 N ATOM 1567 CA TYR A 94 13.542 -3.068 3.423 1.00 50.02 C ATOM 1568 C TYR A 94 12.183 -2.487 3.043 1.00 64.53 C ATOM 1569 O TYR A 94 11.144 -2.981 3.475 1.00 31.30 O ATOM 1570 CB TYR A 94 14.164 -3.778 2.214 1.00 34.10 C ATOM 1571 CG TYR A 94 15.631 -4.098 2.383 1.00 42.05 C ATOM 1572 CD1 TYR A 94 16.595 -3.117 2.189 1.00 45.25 C ATOM 1573 CD2 TYR A 94 16.053 -5.373 2.735 1.00 75.51 C ATOM 1574 CE1 TYR A 94 17.938 -3.399 2.341 1.00 63.13 C ATOM 1575 CE2 TYR A 94 17.395 -5.661 2.890 1.00 71.43 C ATOM 1576 CZ TYR A 94 18.333 -4.669 2.690 1.00 53.40 C ATOM 1577 OH TYR A 94 19.671 -4.950 2.844 1.00 13.35 O ATOM 0 H TYR A 94 12.680 -4.671 4.466 1.00 42.42 H new ATOM 0 HA TYR A 94 14.194 -2.249 3.726 1.00 50.02 H new ATOM 0 HB2 TYR A 94 13.619 -4.703 2.028 1.00 34.10 H new ATOM 0 HB3 TYR A 94 14.038 -3.151 1.332 1.00 34.10 H new ATOM 0 HD1 TYR A 94 16.289 -2.118 1.915 1.00 45.25 H new ATOM 0 HD2 TYR A 94 15.321 -6.152 2.890 1.00 75.51 H new ATOM 0 HE1 TYR A 94 18.675 -2.625 2.186 1.00 63.13 H new ATOM 0 HE2 TYR A 94 17.708 -6.657 3.166 1.00 71.43 H new ATOM 0 HH TYR A 94 19.781 -5.892 3.093 1.00 13.35 H new ATOM 1587 N ASN A 95 12.211 -1.429 2.241 1.00 75.53 N ATOM 1588 CA ASN A 95 10.995 -0.775 1.762 1.00 40.04 C ATOM 1589 C ASN A 95 10.821 -1.014 0.264 1.00 62.22 C ATOM 1590 O ASN A 95 11.302 -0.222 -0.544 1.00 54.21 O ATOM 1591 CB ASN A 95 11.041 0.739 2.007 1.00 73.50 C ATOM 1592 CG ASN A 95 11.341 1.121 3.440 1.00 64.40 C ATOM 1593 OD1 ASN A 95 12.502 1.235 3.831 1.00 62.40 O ATOM 1594 ND2 ASN A 95 10.299 1.354 4.225 1.00 33.52 N ATOM 0 H ASN A 95 13.073 -1.000 1.904 1.00 75.53 H new ATOM 0 HA ASN A 95 10.158 -1.203 2.314 1.00 40.04 H new ATOM 0 HB2 ASN A 95 11.798 1.179 1.358 1.00 73.50 H new ATOM 0 HB3 ASN A 95 10.083 1.173 1.719 1.00 73.50 H new ATOM 0 HD21 ASN A 95 10.444 1.640 5.193 1.00 33.52 H new ATOM 0 HD22 ASN A 95 9.352 1.248 3.861 1.00 33.52 H new ATOM 1601 N PRO A 96 10.167 -2.119 -0.137 1.00 13.54 N ATOM 1602 CA PRO A 96 9.998 -2.475 -1.557 1.00 0.13 C ATOM 1603 C PRO A 96 9.359 -1.350 -2.379 1.00 52.02 C ATOM 1604 O PRO A 96 9.651 -1.187 -3.561 1.00 24.31 O ATOM 1605 CB PRO A 96 9.074 -3.697 -1.516 1.00 23.52 C ATOM 1606 CG PRO A 96 9.266 -4.272 -0.154 1.00 70.42 C ATOM 1607 CD PRO A 96 9.530 -3.106 0.754 1.00 52.41 C ATOM 0 HA PRO A 96 10.958 -2.664 -2.038 1.00 0.13 H new ATOM 0 HB2 PRO A 96 8.035 -3.413 -1.683 1.00 23.52 H new ATOM 0 HB3 PRO A 96 9.336 -4.418 -2.291 1.00 23.52 H new ATOM 0 HG2 PRO A 96 8.381 -4.823 0.165 1.00 70.42 H new ATOM 0 HG3 PRO A 96 10.100 -4.974 -0.141 1.00 70.42 H new ATOM 0 HD2 PRO A 96 8.609 -2.719 1.190 1.00 52.41 H new ATOM 0 HD3 PRO A 96 10.183 -3.381 1.582 1.00 52.41 H new ATOM 1615 N ALA A 97 8.501 -0.561 -1.743 1.00 54.44 N ATOM 1616 CA ALA A 97 7.801 0.520 -2.433 1.00 13.41 C ATOM 1617 C ALA A 97 8.667 1.771 -2.570 1.00 65.04 C ATOM 1618 O ALA A 97 8.353 2.665 -3.353 1.00 32.02 O ATOM 1619 CB ALA A 97 6.513 0.859 -1.705 1.00 21.44 C ATOM 0 H ALA A 97 8.272 -0.648 -0.753 1.00 54.44 H new ATOM 0 HA ALA A 97 7.571 0.167 -3.438 1.00 13.41 H new ATOM 0 HB1 ALA A 97 6.001 1.666 -2.229 1.00 21.44 H new ATOM 0 HB2 ALA A 97 5.870 -0.020 -1.675 1.00 21.44 H new ATOM 0 HB3 ALA A 97 6.743 1.175 -0.687 1.00 21.44 H new ATOM 1625 N ALA A 98 9.762 1.826 -1.820 1.00 1.31 N ATOM 1626 CA ALA A 98 10.633 2.999 -1.822 1.00 41.21 C ATOM 1627 C ALA A 98 11.514 3.025 -3.066 1.00 64.25 C ATOM 1628 O ALA A 98 12.166 4.027 -3.354 1.00 52.34 O ATOM 1629 CB ALA A 98 11.492 3.028 -0.568 1.00 31.31 C ATOM 0 H ALA A 98 10.069 1.074 -1.203 1.00 1.31 H new ATOM 0 HA ALA A 98 10.000 3.886 -1.834 1.00 41.21 H new ATOM 0 HB1 ALA A 98 12.134 3.909 -0.587 1.00 31.31 H new ATOM 0 HB2 ALA A 98 10.850 3.066 0.312 1.00 31.31 H new ATOM 0 HB3 ALA A 98 12.109 2.130 -0.529 1.00 31.31 H new ATOM 1635 N ALA A 99 11.515 1.918 -3.804 1.00 73.33 N ATOM 1636 CA ALA A 99 12.317 1.799 -5.018 1.00 13.20 C ATOM 1637 C ALA A 99 11.734 2.645 -6.147 1.00 73.12 C ATOM 1638 O ALA A 99 12.351 2.810 -7.199 1.00 1.32 O ATOM 1639 CB ALA A 99 12.416 0.341 -5.443 1.00 50.35 C ATOM 0 H ALA A 99 10.967 1.087 -3.581 1.00 73.33 H new ATOM 0 HA ALA A 99 13.318 2.172 -4.802 1.00 13.20 H new ATOM 0 HB1 ALA A 99 13.017 0.266 -6.350 1.00 50.35 H new ATOM 0 HB2 ALA A 99 12.885 -0.239 -4.648 1.00 50.35 H new ATOM 0 HB3 ALA A 99 11.417 -0.050 -5.636 1.00 50.35 H new ATOM 1645 N PHE A 100 10.539 3.173 -5.922 1.00 72.05 N ATOM 1646 CA PHE A 100 9.884 4.025 -6.900 1.00 61.12 C ATOM 1647 C PHE A 100 9.703 5.423 -6.332 1.00 34.12 C ATOM 1648 O PHE A 100 9.161 5.593 -5.239 1.00 71.24 O ATOM 1649 CB PHE A 100 8.531 3.436 -7.300 1.00 54.33 C ATOM 1650 CG PHE A 100 8.638 2.080 -7.939 1.00 63.21 C ATOM 1651 CD1 PHE A 100 8.805 1.956 -9.308 1.00 3.35 C ATOM 1652 CD2 PHE A 100 8.588 0.933 -7.166 1.00 74.25 C ATOM 1653 CE1 PHE A 100 8.915 0.710 -9.896 1.00 73.32 C ATOM 1654 CE2 PHE A 100 8.698 -0.314 -7.747 1.00 61.24 C ATOM 1655 CZ PHE A 100 8.864 -0.425 -9.113 1.00 10.53 C ATOM 0 H PHE A 100 10.003 3.025 -5.067 1.00 72.05 H new ATOM 0 HA PHE A 100 10.511 4.084 -7.790 1.00 61.12 H new ATOM 0 HB2 PHE A 100 7.898 3.364 -6.415 1.00 54.33 H new ATOM 0 HB3 PHE A 100 8.036 4.118 -7.992 1.00 54.33 H new ATOM 0 HD1 PHE A 100 8.850 2.843 -9.923 1.00 3.35 H new ATOM 0 HD2 PHE A 100 8.462 1.015 -6.097 1.00 74.25 H new ATOM 0 HE1 PHE A 100 9.041 0.625 -10.965 1.00 73.32 H new ATOM 0 HE2 PHE A 100 8.654 -1.202 -7.134 1.00 61.24 H new ATOM 0 HZ PHE A 100 8.954 -1.400 -9.569 1.00 10.53 H new ATOM 1665 N ASP A 101 10.165 6.420 -7.069 1.00 32.35 N ATOM 1666 CA ASP A 101 10.087 7.801 -6.617 1.00 14.13 C ATOM 1667 C ASP A 101 8.917 8.522 -7.273 1.00 13.42 C ATOM 1668 O ASP A 101 8.808 8.551 -8.501 1.00 52.22 O ATOM 1669 CB ASP A 101 11.394 8.539 -6.919 1.00 42.23 C ATOM 1670 CG ASP A 101 11.312 10.011 -6.574 1.00 32.12 C ATOM 1671 OD1 ASP A 101 11.139 10.333 -5.383 1.00 50.35 O ATOM 1672 OD2 ASP A 101 11.402 10.850 -7.496 1.00 62.13 O ATOM 0 H ASP A 101 10.599 6.299 -7.984 1.00 32.35 H new ATOM 0 HA ASP A 101 9.927 7.794 -5.539 1.00 14.13 H new ATOM 0 HB2 ASP A 101 12.207 8.080 -6.356 1.00 42.23 H new ATOM 0 HB3 ASP A 101 11.636 8.428 -7.976 1.00 42.23 H new ATOM 1677 N PRO A 102 8.016 9.093 -6.458 1.00 73.10 N ATOM 1678 CA PRO A 102 6.873 9.866 -6.954 1.00 61.21 C ATOM 1679 C PRO A 102 7.299 11.204 -7.554 1.00 13.53 C ATOM 1680 O PRO A 102 6.664 11.715 -8.480 1.00 72.13 O ATOM 1681 CB PRO A 102 6.017 10.079 -5.703 1.00 3.54 C ATOM 1682 CG PRO A 102 6.969 9.988 -4.560 1.00 53.14 C ATOM 1683 CD PRO A 102 8.033 9.015 -4.983 1.00 43.21 C ATOM 0 HA PRO A 102 6.347 9.351 -7.758 1.00 61.21 H new ATOM 0 HB2 PRO A 102 5.520 11.049 -5.726 1.00 3.54 H new ATOM 0 HB3 PRO A 102 5.236 9.323 -5.626 1.00 3.54 H new ATOM 0 HG2 PRO A 102 7.400 10.963 -4.333 1.00 53.14 H new ATOM 0 HG3 PRO A 102 6.463 9.645 -3.657 1.00 53.14 H new ATOM 0 HD2 PRO A 102 9.008 9.288 -4.579 1.00 43.21 H new ATOM 0 HD3 PRO A 102 7.814 8.006 -4.633 1.00 43.21 H new ATOM 1691 N GLY A 103 8.377 11.768 -7.023 1.00 41.55 N ATOM 1692 CA GLY A 103 8.895 13.022 -7.530 1.00 71.41 C ATOM 1693 C GLY A 103 8.153 14.230 -6.995 1.00 12.20 C ATOM 1694 O GLY A 103 8.741 15.086 -6.332 1.00 64.42 O ATOM 0 H GLY A 103 8.905 11.374 -6.244 1.00 41.55 H new ATOM 0 HA2 GLY A 103 9.950 13.105 -7.268 1.00 71.41 H new ATOM 0 HA3 GLY A 103 8.836 13.019 -8.618 1.00 71.41 H new ATOM 1698 N ASP A 104 6.859 14.293 -7.271 1.00 73.04 N ATOM 1699 CA ASP A 104 6.042 15.428 -6.875 1.00 3.41 C ATOM 1700 C ASP A 104 4.969 14.979 -5.891 1.00 34.12 C ATOM 1701 O ASP A 104 4.589 13.809 -5.867 1.00 44.35 O ATOM 1702 CB ASP A 104 5.407 16.070 -8.111 1.00 61.01 C ATOM 1703 CG ASP A 104 4.637 17.331 -7.783 1.00 14.24 C ATOM 1704 OD1 ASP A 104 5.275 18.376 -7.542 1.00 35.51 O ATOM 1705 OD2 ASP A 104 3.395 17.285 -7.767 1.00 42.14 O ATOM 0 H ASP A 104 6.350 13.565 -7.772 1.00 73.04 H new ATOM 0 HA ASP A 104 6.672 16.170 -6.384 1.00 3.41 H new ATOM 0 HB2 ASP A 104 6.187 16.304 -8.836 1.00 61.01 H new ATOM 0 HB3 ASP A 104 4.737 15.353 -8.584 1.00 61.01 H new ATOM 1710 N ALA A 105 4.490 15.906 -5.079 1.00 63.23 N ATOM 1711 CA ALA A 105 3.523 15.579 -4.037 1.00 54.14 C ATOM 1712 C ALA A 105 2.148 16.173 -4.336 1.00 45.41 C ATOM 1713 O ALA A 105 1.229 16.079 -3.520 1.00 34.32 O ATOM 1714 CB ALA A 105 4.026 16.068 -2.686 1.00 12.23 C ATOM 0 H ALA A 105 4.753 16.891 -5.118 1.00 63.23 H new ATOM 0 HA ALA A 105 3.415 14.495 -4.011 1.00 54.14 H new ATOM 0 HB1 ALA A 105 3.297 15.819 -1.915 1.00 12.23 H new ATOM 0 HB2 ALA A 105 4.977 15.587 -2.456 1.00 12.23 H new ATOM 0 HB3 ALA A 105 4.165 17.149 -2.719 1.00 12.23 H new ATOM 1720 N GLY A 106 2.005 16.782 -5.504 1.00 31.42 N ATOM 1721 CA GLY A 106 0.749 17.407 -5.863 1.00 23.22 C ATOM 1722 C GLY A 106 0.817 18.913 -5.753 1.00 41.34 C ATOM 1723 O GLY A 106 1.169 19.594 -6.716 1.00 11.13 O ATOM 0 H GLY A 106 2.737 16.854 -6.210 1.00 31.42 H new ATOM 0 HA2 GLY A 106 0.484 17.129 -6.883 1.00 23.22 H new ATOM 0 HA3 GLY A 106 -0.042 17.031 -5.214 1.00 23.22 H new ATOM 1727 N GLY A 107 0.475 19.438 -4.583 1.00 32.23 N ATOM 1728 CA GLY A 107 0.550 20.870 -4.356 1.00 63.45 C ATOM 1729 C GLY A 107 -0.614 21.610 -4.980 1.00 1.43 C ATOM 1730 O GLY A 107 -0.588 22.835 -5.114 1.00 33.31 O ATOM 0 H GLY A 107 0.146 18.896 -3.784 1.00 32.23 H new ATOM 0 HA2 GLY A 107 0.570 21.066 -3.284 1.00 63.45 H new ATOM 0 HA3 GLY A 107 1.484 21.253 -4.767 1.00 63.45 H new ATOM 1734 N LYS A 108 -1.636 20.860 -5.354 1.00 35.23 N ATOM 1735 CA LYS A 108 -2.810 21.420 -6.004 1.00 53.41 C ATOM 1736 C LYS A 108 -4.041 20.582 -5.673 1.00 75.12 C ATOM 1737 O LYS A 108 -3.987 19.715 -4.799 1.00 13.21 O ATOM 1738 CB LYS A 108 -2.590 21.485 -7.519 1.00 21.45 C ATOM 1739 CG LYS A 108 -2.335 20.133 -8.156 1.00 31.02 C ATOM 1740 CD LYS A 108 -1.806 20.276 -9.567 1.00 1.31 C ATOM 1741 CE LYS A 108 -1.527 18.917 -10.171 1.00 52.13 C ATOM 1742 NZ LYS A 108 -0.663 19.009 -11.379 1.00 50.34 N ATOM 0 H LYS A 108 -1.677 19.850 -5.217 1.00 35.23 H new ATOM 0 HA LYS A 108 -2.973 22.433 -5.635 1.00 53.41 H new ATOM 0 HB2 LYS A 108 -3.465 21.937 -7.985 1.00 21.45 H new ATOM 0 HB3 LYS A 108 -1.744 22.140 -7.727 1.00 21.45 H new ATOM 0 HG2 LYS A 108 -1.619 19.575 -7.553 1.00 31.02 H new ATOM 0 HG3 LYS A 108 -3.259 19.556 -8.170 1.00 31.02 H new ATOM 0 HD2 LYS A 108 -2.531 20.811 -10.181 1.00 1.31 H new ATOM 0 HD3 LYS A 108 -0.893 20.871 -9.560 1.00 1.31 H new ATOM 0 HE2 LYS A 108 -1.044 18.282 -9.428 1.00 52.13 H new ATOM 0 HE3 LYS A 108 -2.470 18.438 -10.435 1.00 52.13 H new ATOM 0 HZ1 LYS A 108 -0.497 18.056 -11.761 1.00 50.34 H new ATOM 0 HZ2 LYS A 108 -1.134 19.593 -12.099 1.00 50.34 H new ATOM 0 HZ3 LYS A 108 0.247 19.443 -11.123 1.00 50.34 H new ATOM 1756 N LEU A 109 -5.135 20.832 -6.375 1.00 61.30 N ATOM 1757 CA LEU A 109 -6.396 20.154 -6.101 1.00 15.23 C ATOM 1758 C LEU A 109 -7.356 20.332 -7.269 1.00 72.44 C ATOM 1759 O LEU A 109 -7.016 20.976 -8.264 1.00 74.43 O ATOM 1760 CB LEU A 109 -7.050 20.675 -4.806 1.00 62.33 C ATOM 1761 CG LEU A 109 -7.575 22.118 -4.843 1.00 5.51 C ATOM 1762 CD1 LEU A 109 -8.559 22.345 -3.707 1.00 72.34 C ATOM 1763 CD2 LEU A 109 -6.433 23.118 -4.744 1.00 24.14 C ATOM 0 H LEU A 109 -5.177 21.502 -7.143 1.00 61.30 H new ATOM 0 HA LEU A 109 -6.177 19.094 -5.968 1.00 15.23 H new ATOM 0 HB2 LEU A 109 -7.880 20.015 -4.552 1.00 62.33 H new ATOM 0 HB3 LEU A 109 -6.322 20.596 -3.999 1.00 62.33 H new ATOM 0 HG LEU A 109 -8.082 22.269 -5.796 1.00 5.51 H new ATOM 0 HD11 LEU A 109 -8.925 23.371 -3.742 1.00 72.34 H new ATOM 0 HD12 LEU A 109 -9.398 21.657 -3.809 1.00 72.34 H new ATOM 0 HD13 LEU A 109 -8.061 22.170 -2.754 1.00 72.34 H new ATOM 0 HD21 LEU A 109 -6.833 24.131 -4.773 1.00 24.14 H new ATOM 0 HD22 LEU A 109 -5.897 22.966 -3.807 1.00 24.14 H new ATOM 0 HD23 LEU A 109 -5.750 22.974 -5.581 1.00 24.14 H new ATOM 1775 N GLU A 110 -8.552 19.770 -7.148 1.00 62.24 N ATOM 1776 CA GLU A 110 -9.541 19.859 -8.208 1.00 34.05 C ATOM 1777 C GLU A 110 -10.936 20.106 -7.640 1.00 53.54 C ATOM 1778 O GLU A 110 -11.360 19.441 -6.696 1.00 22.22 O ATOM 1779 CB GLU A 110 -9.553 18.571 -9.038 1.00 10.52 C ATOM 1780 CG GLU A 110 -9.961 17.341 -8.243 1.00 61.43 C ATOM 1781 CD GLU A 110 -10.317 16.166 -9.125 1.00 3.33 C ATOM 1782 OE1 GLU A 110 -11.004 16.369 -10.149 1.00 41.30 O ATOM 1783 OE2 GLU A 110 -9.919 15.029 -8.796 1.00 61.21 O ATOM 0 H GLU A 110 -8.858 19.249 -6.326 1.00 62.24 H new ATOM 0 HA GLU A 110 -9.267 20.700 -8.845 1.00 34.05 H new ATOM 0 HB2 GLU A 110 -10.238 18.695 -9.877 1.00 10.52 H new ATOM 0 HB3 GLU A 110 -8.560 18.410 -9.458 1.00 10.52 H new ATOM 0 HG2 GLU A 110 -9.145 17.057 -7.578 1.00 61.43 H new ATOM 0 HG3 GLU A 110 -10.815 17.588 -7.612 1.00 61.43 H new ATOM 1790 N HIS A 111 -11.632 21.085 -8.200 1.00 22.20 N ATOM 1791 CA HIS A 111 -13.045 21.289 -7.906 1.00 54.43 C ATOM 1792 C HIS A 111 -13.822 21.447 -9.207 1.00 13.00 C ATOM 1793 O HIS A 111 -14.605 20.572 -9.576 1.00 60.23 O ATOM 1794 CB HIS A 111 -13.266 22.507 -6.996 1.00 64.12 C ATOM 1795 CG HIS A 111 -13.222 22.188 -5.529 1.00 34.31 C ATOM 1796 ND1 HIS A 111 -13.366 23.141 -4.543 1.00 51.51 N ATOM 1797 CD2 HIS A 111 -13.056 21.009 -4.881 1.00 62.35 C ATOM 1798 CE1 HIS A 111 -13.290 22.563 -3.358 1.00 44.53 C ATOM 1799 NE2 HIS A 111 -13.103 21.270 -3.537 1.00 3.43 N ATOM 0 H HIS A 111 -11.240 21.753 -8.863 1.00 22.20 H new ATOM 0 HA HIS A 111 -13.410 20.413 -7.370 1.00 54.43 H new ATOM 0 HB2 HIS A 111 -12.506 23.256 -7.218 1.00 64.12 H new ATOM 0 HB3 HIS A 111 -14.232 22.954 -7.232 1.00 64.12 H new ATOM 0 HD2 HIS A 111 -12.913 20.042 -5.340 1.00 62.35 H new ATOM 0 HE1 HIS A 111 -13.368 23.064 -2.404 1.00 44.53 H new ATOM 0 HE2 HIS A 111 -13.009 20.577 -2.795 1.00 3.43 H new ATOM 1808 N HIS A 112 -13.570 22.556 -9.910 1.00 43.42 N ATOM 1809 CA HIS A 112 -14.237 22.854 -11.185 1.00 23.12 C ATOM 1810 C HIS A 112 -15.753 22.786 -11.030 1.00 30.44 C ATOM 1811 O HIS A 112 -16.467 22.415 -11.961 1.00 44.31 O ATOM 1812 CB HIS A 112 -13.793 21.876 -12.285 1.00 50.22 C ATOM 1813 CG HIS A 112 -12.324 21.898 -12.574 1.00 5.14 C ATOM 1814 ND1 HIS A 112 -11.620 20.783 -12.966 1.00 23.24 N ATOM 1815 CD2 HIS A 112 -11.427 22.910 -12.538 1.00 62.21 C ATOM 1816 CE1 HIS A 112 -10.356 21.107 -13.156 1.00 0.02 C ATOM 1817 NE2 HIS A 112 -10.209 22.393 -12.901 1.00 63.51 N ATOM 0 H HIS A 112 -12.903 23.269 -9.615 1.00 43.42 H new ATOM 0 HA HIS A 112 -13.950 23.865 -11.475 1.00 23.12 H new ATOM 0 HB2 HIS A 112 -14.079 20.865 -11.993 1.00 50.22 H new ATOM 0 HB3 HIS A 112 -14.335 22.108 -13.202 1.00 50.22 H new ATOM 0 HD2 HIS A 112 -11.632 23.937 -12.272 1.00 62.21 H new ATOM 0 HE1 HIS A 112 -9.572 20.433 -13.468 1.00 0.02 H new ATOM 0 HE2 HIS A 112 -9.335 22.916 -12.963 1.00 63.51 H new ATOM 1826 N HIS A 113 -16.243 23.179 -9.866 1.00 71.12 N ATOM 1827 CA HIS A 113 -17.645 22.991 -9.539 1.00 44.21 C ATOM 1828 C HIS A 113 -18.362 24.335 -9.453 1.00 4.25 C ATOM 1829 O HIS A 113 -19.238 24.534 -8.615 1.00 31.45 O ATOM 1830 CB HIS A 113 -17.775 22.223 -8.218 1.00 12.34 C ATOM 1831 CG HIS A 113 -19.107 21.561 -8.028 1.00 31.22 C ATOM 1832 ND1 HIS A 113 -19.374 20.282 -8.464 1.00 1.41 N ATOM 1833 CD2 HIS A 113 -20.250 22.006 -7.455 1.00 73.40 C ATOM 1834 CE1 HIS A 113 -20.620 19.972 -8.170 1.00 41.11 C ATOM 1835 NE2 HIS A 113 -21.173 21.000 -7.557 1.00 21.15 N ATOM 0 H HIS A 113 -15.692 23.629 -9.135 1.00 71.12 H new ATOM 0 HA HIS A 113 -18.115 22.408 -10.331 1.00 44.21 H new ATOM 0 HB2 HIS A 113 -16.994 21.465 -8.172 1.00 12.34 H new ATOM 0 HB3 HIS A 113 -17.601 22.911 -7.391 1.00 12.34 H new ATOM 0 HD2 HIS A 113 -20.405 22.974 -7.002 1.00 73.40 H new ATOM 0 HE1 HIS A 113 -21.107 19.034 -8.393 1.00 41.11 H new ATOM 0 HE2 HIS A 113 -22.133 21.039 -7.214 1.00 21.15 H new ATOM 1844 N HIS A 114 -17.988 25.261 -10.319 1.00 35.01 N ATOM 1845 CA HIS A 114 -18.669 26.546 -10.386 1.00 42.13 C ATOM 1846 C HIS A 114 -19.217 26.778 -11.787 1.00 4.20 C ATOM 1847 O HIS A 114 -18.524 27.291 -12.663 1.00 71.05 O ATOM 1848 CB HIS A 114 -17.736 27.694 -9.973 1.00 70.33 C ATOM 1849 CG HIS A 114 -17.350 27.668 -8.524 1.00 24.42 C ATOM 1850 ND1 HIS A 114 -16.116 28.066 -8.071 1.00 34.51 N ATOM 1851 CD2 HIS A 114 -18.054 27.316 -7.424 1.00 53.33 C ATOM 1852 CE1 HIS A 114 -16.075 27.958 -6.756 1.00 1.20 C ATOM 1853 NE2 HIS A 114 -17.240 27.506 -6.337 1.00 54.23 N ATOM 0 H HIS A 114 -17.221 25.150 -10.983 1.00 35.01 H new ATOM 0 HA HIS A 114 -19.501 26.526 -9.682 1.00 42.13 H new ATOM 0 HB2 HIS A 114 -16.832 27.652 -10.581 1.00 70.33 H new ATOM 0 HB3 HIS A 114 -18.224 28.644 -10.192 1.00 70.33 H new ATOM 0 HD2 HIS A 114 -19.071 26.952 -7.405 1.00 53.33 H new ATOM 0 HE1 HIS A 114 -15.229 28.199 -6.129 1.00 1.20 H new ATOM 0 HE2 HIS A 114 -17.494 27.327 -5.365 1.00 54.23 H new ATOM 1862 N HIS A 115 -20.455 26.355 -12.002 1.00 54.15 N ATOM 1863 CA HIS A 115 -21.106 26.514 -13.296 1.00 32.50 C ATOM 1864 C HIS A 115 -22.345 27.385 -13.166 1.00 65.41 C ATOM 1865 O HIS A 115 -23.205 27.136 -12.318 1.00 43.32 O ATOM 1866 CB HIS A 115 -21.490 25.154 -13.885 1.00 44.12 C ATOM 1867 CG HIS A 115 -20.314 24.305 -14.261 1.00 34.44 C ATOM 1868 ND1 HIS A 115 -19.928 23.193 -13.544 1.00 20.24 N ATOM 1869 CD2 HIS A 115 -19.437 24.413 -15.286 1.00 42.23 C ATOM 1870 CE1 HIS A 115 -18.865 22.654 -14.112 1.00 3.34 C ATOM 1871 NE2 HIS A 115 -18.546 23.375 -15.170 1.00 13.32 N ATOM 0 H HIS A 115 -21.031 25.898 -11.295 1.00 54.15 H new ATOM 0 HA HIS A 115 -20.399 26.999 -13.969 1.00 32.50 H new ATOM 0 HB2 HIS A 115 -22.100 24.614 -13.161 1.00 44.12 H new ATOM 0 HB3 HIS A 115 -22.109 25.312 -14.768 1.00 44.12 H new ATOM 0 HD2 HIS A 115 -19.438 25.174 -16.052 1.00 42.23 H new ATOM 0 HE1 HIS A 115 -18.345 21.772 -13.769 1.00 3.34 H new ATOM 0 HE2 HIS A 115 -17.765 23.191 -15.799 1.00 13.32 H new ATOM 1880 N HIS A 116 -22.432 28.400 -14.010 1.00 11.01 N ATOM 1881 CA HIS A 116 -23.564 29.326 -13.991 1.00 31.43 C ATOM 1882 C HIS A 116 -24.042 29.617 -15.412 1.00 53.20 C ATOM 1883 O HIS A 116 -23.253 29.569 -16.359 1.00 34.02 O ATOM 1884 CB HIS A 116 -23.189 30.634 -13.277 1.00 2.31 C ATOM 1885 CG HIS A 116 -22.053 31.381 -13.913 1.00 51.42 C ATOM 1886 ND1 HIS A 116 -22.229 32.492 -14.713 1.00 72.40 N ATOM 1887 CD2 HIS A 116 -20.717 31.164 -13.866 1.00 11.13 C ATOM 1888 CE1 HIS A 116 -21.052 32.920 -15.132 1.00 63.22 C ATOM 1889 NE2 HIS A 116 -20.123 32.133 -14.630 1.00 34.02 N ATOM 0 H HIS A 116 -21.732 28.608 -14.722 1.00 11.01 H new ATOM 0 HA HIS A 116 -24.377 28.855 -13.439 1.00 31.43 H new ATOM 0 HB2 HIS A 116 -24.064 31.283 -13.249 1.00 2.31 H new ATOM 0 HB3 HIS A 116 -22.926 30.408 -12.244 1.00 2.31 H new ATOM 0 HD2 HIS A 116 -20.214 30.375 -13.327 1.00 11.13 H new ATOM 0 HE1 HIS A 116 -20.881 33.770 -15.776 1.00 63.22 H new ATOM 0 HE2 HIS A 116 -19.120 32.230 -14.786 1.00 34.02 H new TER 1898 HIS A 116