USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 HIS : no HD1:sc= -4.54! C(o=-11!,f=-17!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -6.52! C(o=-11!,f=-21!) USER MOD Set 2.1: A 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0567) USER MOD Set 2.2: A 78 TYR OH : rot 14:sc= 0.214 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -0.335 K(o=-2.1,f=-4!) USER MOD Set 3.2: A 21 ASN : amide:sc= -1.81 X(o=-2.1,f=-2.6!) USER MOD Single : A 6 MET CE :methyl -160:sc= -0.197 (180deg=-0.784) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 122:sc= 0.179 USER MOD Single : A 17 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.8!) USER MOD Single : A 19 LYS NZ :NH3+ -144:sc= 1.15 (180deg=-0.25) USER MOD Single : A 20 SER OG : rot 180:sc= 0.016 USER MOD Single : A 24 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.74 K(o=-1.7,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0.807 K(o=0.81,f=-4.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -169:sc= 0.973 USER MOD Single : A 58 LYS NZ :NH3+ -123:sc= 0.545 (180deg=-0.105) USER MOD Single : A 61 SER OG : rot -67:sc= 1.81 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.17 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00169 USER MOD Single : A 73 THR OG1 : rot -123:sc= 1.89 USER MOD Single : A 75 LYS NZ :NH3+ 136:sc= -3.18! (180deg=-5.78!) USER MOD Single : A 83 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.6) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -15:sc= 0.0543 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 151:sc= -2.8! (180deg=-4.44!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -113:sc= -1.14 (180deg=-1.73) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.614 -7.606 7.333 1.00 0.00 N ATOM 2 CA MET A 6 5.164 -7.523 7.331 1.00 0.00 C ATOM 3 C MET A 6 4.735 -6.084 7.075 1.00 0.00 C ATOM 4 O MET A 6 5.269 -5.153 7.680 1.00 0.00 O ATOM 5 CB MET A 6 4.599 -8.018 8.667 1.00 0.00 C ATOM 6 CG MET A 6 3.079 -8.071 8.703 1.00 0.00 C ATOM 7 SD MET A 6 2.437 -8.745 10.248 1.00 0.00 S ATOM 8 CE MET A 6 3.116 -10.405 10.212 1.00 0.00 C ATOM 0 HA MET A 6 4.772 -8.159 6.537 1.00 0.00 H new ATOM 0 HB2 MET A 6 4.994 -9.013 8.873 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.950 -7.364 9.465 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.682 -7.066 8.558 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.722 -8.678 7.871 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.545 -11.046 10.883 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.060 -10.799 9.197 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.157 -10.379 10.534 1.00 0.00 H new ATOM 17 N ILE A 7 3.780 -5.907 6.173 1.00 0.00 N ATOM 18 CA ILE A 7 3.299 -4.579 5.817 1.00 0.00 C ATOM 19 C ILE A 7 2.166 -4.183 6.761 1.00 0.00 C ATOM 20 O ILE A 7 1.652 -5.018 7.507 1.00 0.00 O ATOM 21 CB ILE A 7 2.781 -4.545 4.348 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.711 -5.328 3.427 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.652 -3.119 3.822 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.976 -6.190 2.413 1.00 0.00 C ATOM 0 H ILE A 7 3.322 -6.669 5.673 1.00 0.00 H new ATOM 0 HA ILE A 7 4.128 -3.877 5.906 1.00 0.00 H new ATOM 0 HB ILE A 7 1.793 -5.005 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.357 -4.629 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.357 -5.964 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.288 -3.142 2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.950 -2.564 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.626 -2.631 3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.700 -6.718 1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.350 -6.913 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.350 -5.557 1.783 1.00 0.00 H new ATOM 36 N GLN A 8 1.775 -2.925 6.719 1.00 0.00 N ATOM 37 CA GLN A 8 0.708 -2.428 7.589 1.00 0.00 C ATOM 38 C GLN A 8 -0.097 -1.347 6.862 1.00 0.00 C ATOM 39 O GLN A 8 0.394 -0.249 6.591 1.00 0.00 O ATOM 40 CB GLN A 8 1.285 -1.925 8.963 1.00 0.00 C ATOM 41 CG GLN A 8 2.024 -0.557 8.947 1.00 0.00 C ATOM 42 CD GLN A 8 2.555 -0.183 10.317 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.677 -0.539 10.681 1.00 0.00 O ATOM 44 NE2 GLN A 8 1.758 0.548 11.082 1.00 0.00 N ATOM 0 H GLN A 8 2.174 -2.223 6.096 1.00 0.00 H new ATOM 0 HA GLN A 8 0.028 -3.247 7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.462 -1.860 9.675 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.974 -2.680 9.341 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.850 -0.599 8.237 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.343 0.219 8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.836 0.822 10.743 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.066 0.837 12.010 1.00 0.00 H new ATOM 53 N VAL A 9 -1.321 -1.699 6.481 1.00 0.00 N ATOM 54 CA VAL A 9 -2.215 -0.756 5.820 1.00 0.00 C ATOM 55 C VAL A 9 -3.227 -0.165 6.796 1.00 0.00 C ATOM 56 O VAL A 9 -3.713 -0.847 7.697 1.00 0.00 O ATOM 57 CB VAL A 9 -2.972 -1.397 4.632 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.052 -1.558 3.436 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.557 -2.739 5.033 1.00 0.00 C ATOM 0 H VAL A 9 -1.716 -2.629 6.619 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.577 0.040 5.435 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.790 -0.733 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.603 -2.010 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.679 -0.581 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.213 -2.199 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.085 -3.174 4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.754 -3.408 5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.252 -2.600 5.861 1.00 0.00 H new ATOM 69 N TYR A 10 -3.550 1.101 6.567 1.00 0.00 N ATOM 70 CA TYR A 10 -4.436 1.890 7.425 1.00 0.00 C ATOM 71 C TYR A 10 -4.880 3.117 6.643 1.00 0.00 C ATOM 72 O TYR A 10 -4.360 3.375 5.560 1.00 0.00 O ATOM 73 CB TYR A 10 -3.738 2.318 8.734 1.00 0.00 C ATOM 74 CG TYR A 10 -3.628 1.202 9.772 1.00 0.00 C ATOM 75 CD1 TYR A 10 -4.760 0.690 10.408 1.00 0.00 C ATOM 76 CD2 TYR A 10 -2.392 0.639 10.090 1.00 0.00 C ATOM 77 CE1 TYR A 10 -4.659 -0.350 11.325 1.00 0.00 C ATOM 78 CE2 TYR A 10 -2.287 -0.397 11.007 1.00 0.00 C ATOM 79 CZ TYR A 10 -3.423 -0.887 11.616 1.00 0.00 C ATOM 80 OH TYR A 10 -3.323 -1.922 12.522 1.00 0.00 O ATOM 0 H TYR A 10 -3.198 1.622 5.764 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.294 1.279 7.708 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.738 2.681 8.499 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.286 3.153 9.170 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.730 1.109 10.184 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.500 1.017 9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.545 -0.736 11.807 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.321 -0.817 11.243 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.384 -2.187 12.614 1.00 0.00 H new ATOM 90 N SER A 11 -5.828 3.871 7.171 1.00 0.00 N ATOM 91 CA SER A 11 -6.351 5.023 6.445 1.00 0.00 C ATOM 92 C SER A 11 -6.269 6.308 7.268 1.00 0.00 C ATOM 93 O SER A 11 -6.117 6.274 8.490 1.00 0.00 O ATOM 94 CB SER A 11 -7.802 4.767 6.049 1.00 0.00 C ATOM 95 OG SER A 11 -7.920 3.591 5.264 1.00 0.00 O ATOM 0 H SER A 11 -6.249 3.713 8.087 1.00 0.00 H new ATOM 0 HA SER A 11 -5.734 5.157 5.556 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.415 4.672 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.185 5.621 5.490 1.00 0.00 H new ATOM 0 HG SER A 11 -8.536 2.966 5.701 1.00 0.00 H new ATOM 101 N ARG A 12 -6.380 7.448 6.582 1.00 0.00 N ATOM 102 CA ARG A 12 -6.349 8.749 7.245 1.00 0.00 C ATOM 103 C ARG A 12 -7.747 9.144 7.713 1.00 0.00 C ATOM 104 O ARG A 12 -7.912 10.007 8.570 1.00 0.00 O ATOM 105 CB ARG A 12 -5.803 9.825 6.295 1.00 0.00 C ATOM 106 CG ARG A 12 -4.677 10.656 6.896 1.00 0.00 C ATOM 107 CD ARG A 12 -5.093 11.320 8.197 1.00 0.00 C ATOM 108 NE ARG A 12 -6.048 12.405 7.983 1.00 0.00 N ATOM 109 CZ ARG A 12 -6.834 12.901 8.940 1.00 0.00 C ATOM 110 NH1 ARG A 12 -6.751 12.424 10.177 1.00 0.00 N ATOM 111 NH2 ARG A 12 -7.691 13.878 8.666 1.00 0.00 N ATOM 0 H ARG A 12 -6.492 7.494 5.569 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.691 8.671 8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.443 9.345 5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.618 10.488 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.811 10.018 7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.368 11.419 6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.535 10.575 8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.210 11.710 8.702 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.118 12.806 7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.087 11.680 10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.351 12.802 10.911 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.751 14.253 7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.289 14.253 9.402 1.00 0.00 H new ATOM 125 N HIS A 13 -8.749 8.487 7.159 1.00 0.00 N ATOM 126 CA HIS A 13 -10.137 8.838 7.422 1.00 0.00 C ATOM 127 C HIS A 13 -10.934 7.586 7.783 1.00 0.00 C ATOM 128 O HIS A 13 -10.471 6.467 7.551 1.00 0.00 O ATOM 129 CB HIS A 13 -10.754 9.507 6.187 1.00 0.00 C ATOM 130 CG HIS A 13 -10.001 10.704 5.691 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.250 10.649 4.541 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.928 11.951 6.209 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.738 11.858 4.387 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.122 12.680 5.373 1.00 0.00 N ATOM 0 H HIS A 13 -8.629 7.702 6.519 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.170 9.536 8.259 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.815 8.773 5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.775 9.807 6.423 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.411 12.305 7.108 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.093 12.146 3.571 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.864 13.661 5.481 1.00 0.00 H new ATOM 142 N PRO A 14 -12.131 7.758 8.377 1.00 0.00 N ATOM 143 CA PRO A 14 -13.015 6.638 8.715 1.00 0.00 C ATOM 144 C PRO A 14 -13.672 6.035 7.470 1.00 0.00 C ATOM 145 O PRO A 14 -14.086 6.767 6.568 1.00 0.00 O ATOM 146 CB PRO A 14 -14.088 7.252 9.627 1.00 0.00 C ATOM 147 CG PRO A 14 -13.684 8.681 9.856 1.00 0.00 C ATOM 148 CD PRO A 14 -12.702 9.053 8.775 1.00 0.00 C ATOM 0 HA PRO A 14 -12.462 5.827 9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.072 7.197 9.161 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.152 6.710 10.571 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.555 9.335 9.824 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.233 8.799 10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.194 9.550 7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.936 9.734 9.145 1.00 0.00 H new ATOM 156 N ALA A 15 -13.751 4.706 7.419 1.00 0.00 N ATOM 157 CA ALA A 15 -14.377 4.000 6.298 1.00 0.00 C ATOM 158 C ALA A 15 -15.857 4.366 6.150 1.00 0.00 C ATOM 159 O ALA A 15 -16.695 3.862 6.899 1.00 0.00 O ATOM 160 CB ALA A 15 -14.252 2.494 6.507 1.00 0.00 C ATOM 0 H ALA A 15 -13.387 4.091 8.147 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.860 4.301 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.718 1.971 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.198 2.221 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.750 2.213 7.435 1.00 0.00 H new ATOM 166 N GLU A 16 -16.189 5.239 5.199 1.00 0.00 N ATOM 167 CA GLU A 16 -17.595 5.553 4.947 1.00 0.00 C ATOM 168 C GLU A 16 -17.976 5.123 3.520 1.00 0.00 C ATOM 169 O GLU A 16 -17.588 5.772 2.550 1.00 0.00 O ATOM 170 CB GLU A 16 -17.866 7.059 5.169 1.00 0.00 C ATOM 171 CG GLU A 16 -19.276 7.403 5.639 1.00 0.00 C ATOM 172 CD GLU A 16 -20.346 6.958 4.666 1.00 0.00 C ATOM 173 OE1 GLU A 16 -21.088 6.012 4.991 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.442 7.548 3.570 1.00 0.00 O ATOM 0 H GLU A 16 -15.522 5.731 4.604 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.216 5.000 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.154 7.436 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.672 7.588 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.455 6.935 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.352 8.480 5.787 1.00 0.00 H new ATOM 181 N ASN A 17 -18.672 3.981 3.417 1.00 0.00 N ATOM 182 CA ASN A 17 -19.212 3.449 2.154 1.00 0.00 C ATOM 183 C ASN A 17 -19.785 4.551 1.237 1.00 0.00 C ATOM 184 O ASN A 17 -20.915 5.006 1.417 1.00 0.00 O ATOM 185 CB ASN A 17 -20.278 2.361 2.512 1.00 0.00 C ATOM 186 CG ASN A 17 -19.654 1.075 3.033 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.561 1.083 3.599 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.354 -0.039 2.857 1.00 0.00 N ATOM 0 H ASN A 17 -18.880 3.390 4.222 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.404 3.002 1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.959 2.760 3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.874 2.138 1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -19.989 -0.929 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.256 -0.005 2.383 1.00 0.00 H new ATOM 195 N GLY A 18 -18.967 4.970 0.250 1.00 0.00 N ATOM 196 CA GLY A 18 -19.374 5.998 -0.709 1.00 0.00 C ATOM 197 C GLY A 18 -18.455 7.206 -0.736 1.00 0.00 C ATOM 198 O GLY A 18 -18.646 8.102 -1.553 1.00 0.00 O ATOM 0 H GLY A 18 -18.025 4.609 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.411 5.558 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.385 6.327 -0.468 1.00 0.00 H new ATOM 202 N LYS A 19 -17.467 7.256 0.148 1.00 0.00 N ATOM 203 CA LYS A 19 -16.526 8.385 0.146 1.00 0.00 C ATOM 204 C LYS A 19 -15.241 8.015 -0.574 1.00 0.00 C ATOM 205 O LYS A 19 -14.862 6.844 -0.614 1.00 0.00 O ATOM 206 CB LYS A 19 -16.132 8.811 1.564 1.00 0.00 C ATOM 207 CG LYS A 19 -17.263 8.992 2.567 1.00 0.00 C ATOM 208 CD LYS A 19 -18.140 10.215 2.317 1.00 0.00 C ATOM 209 CE LYS A 19 -19.049 10.075 1.106 1.00 0.00 C ATOM 210 NZ LYS A 19 -20.183 9.143 1.365 1.00 0.00 N ATOM 0 H LYS A 19 -17.292 6.550 0.863 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.042 9.202 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.441 8.068 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.585 9.751 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.891 8.101 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.836 9.065 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.751 10.400 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.502 11.088 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.440 11.055 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.469 9.713 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.396 8.606 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.924 8.484 2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.022 9.688 1.649 1.00 0.00 H new ATOM 224 N SER A 20 -14.580 9.012 -1.143 1.00 0.00 N ATOM 225 CA SER A 20 -13.221 8.838 -1.614 1.00 0.00 C ATOM 226 C SER A 20 -12.229 9.409 -0.607 1.00 0.00 C ATOM 227 O SER A 20 -12.438 10.485 -0.037 1.00 0.00 O ATOM 228 CB SER A 20 -13.025 9.454 -2.999 1.00 0.00 C ATOM 229 OG SER A 20 -13.774 10.650 -3.143 1.00 0.00 O ATOM 0 H SER A 20 -14.964 9.946 -1.288 1.00 0.00 H new ATOM 0 HA SER A 20 -13.032 7.769 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.967 9.663 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.328 8.739 -3.764 1.00 0.00 H new ATOM 0 HG SER A 20 -13.627 11.022 -4.038 1.00 0.00 H new ATOM 235 N ASN A 21 -11.151 8.675 -0.406 1.00 0.00 N ATOM 236 CA ASN A 21 -10.145 8.984 0.602 1.00 0.00 C ATOM 237 C ASN A 21 -8.832 8.397 0.100 1.00 0.00 C ATOM 238 O ASN A 21 -8.741 8.017 -1.071 1.00 0.00 O ATOM 239 CB ASN A 21 -10.490 8.356 1.962 1.00 0.00 C ATOM 240 CG ASN A 21 -11.920 8.584 2.436 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.856 7.935 1.971 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.090 9.447 3.419 1.00 0.00 N ATOM 0 H ASN A 21 -10.943 7.834 -0.945 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.088 10.063 0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.310 7.283 1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.807 8.755 2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.018 9.592 3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.293 9.970 3.782 1.00 0.00 H new ATOM 249 N PHE A 22 -7.830 8.282 0.964 1.00 0.00 N ATOM 250 CA PHE A 22 -6.528 7.764 0.547 1.00 0.00 C ATOM 251 C PHE A 22 -6.159 6.497 1.314 1.00 0.00 C ATOM 252 O PHE A 22 -6.270 6.453 2.540 1.00 0.00 O ATOM 253 CB PHE A 22 -5.445 8.826 0.759 1.00 0.00 C ATOM 254 CG PHE A 22 -5.501 9.960 -0.231 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.189 11.257 0.156 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.861 9.727 -1.552 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.236 12.295 -0.755 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.909 10.763 -2.464 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.595 12.048 -2.065 1.00 0.00 C ATOM 0 H PHE A 22 -7.890 8.537 1.950 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.595 7.515 -0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.539 9.231 1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.466 8.350 0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.907 11.456 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.106 8.724 -1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.992 13.299 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.192 10.569 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.630 12.859 -2.778 1.00 0.00 H new ATOM 269 N LEU A 23 -5.715 5.467 0.585 1.00 0.00 N ATOM 270 CA LEU A 23 -5.265 4.218 1.214 1.00 0.00 C ATOM 271 C LEU A 23 -3.778 4.310 1.533 1.00 0.00 C ATOM 272 O LEU A 23 -2.962 4.608 0.660 1.00 0.00 O ATOM 273 CB LEU A 23 -5.555 2.998 0.313 1.00 0.00 C ATOM 274 CG LEU A 23 -4.900 1.656 0.730 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.286 1.243 2.145 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.289 0.554 -0.245 1.00 0.00 C ATOM 0 H LEU A 23 -5.657 5.472 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.822 4.079 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.635 2.852 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.228 3.237 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.821 1.806 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.803 0.298 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.963 2.010 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.368 1.125 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.822 -0.383 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.373 0.436 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.951 0.819 -1.247 1.00 0.00 H new ATOM 288 N ASN A 24 -3.438 4.065 2.787 1.00 0.00 N ATOM 289 CA ASN A 24 -2.053 4.190 3.248 1.00 0.00 C ATOM 290 C ASN A 24 -1.440 2.816 3.502 1.00 0.00 C ATOM 291 O ASN A 24 -2.011 1.989 4.217 1.00 0.00 O ATOM 292 CB ASN A 24 -1.961 5.087 4.514 1.00 0.00 C ATOM 293 CG ASN A 24 -1.014 4.551 5.575 1.00 0.00 C ATOM 294 OD1 ASN A 24 0.174 4.859 5.579 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.541 3.761 6.495 1.00 0.00 N ATOM 0 H ASN A 24 -4.098 3.778 3.510 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.479 4.674 2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.635 6.084 4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.956 5.192 4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.955 3.385 7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.533 3.527 6.459 1.00 0.00 H new ATOM 302 N CYS A 25 -0.296 2.566 2.880 1.00 0.00 N ATOM 303 CA CYS A 25 0.460 1.341 3.083 1.00 0.00 C ATOM 304 C CYS A 25 1.862 1.697 3.576 1.00 0.00 C ATOM 305 O CYS A 25 2.613 2.359 2.858 1.00 0.00 O ATOM 306 CB CYS A 25 0.560 0.575 1.752 1.00 0.00 C ATOM 307 SG CYS A 25 1.791 -0.765 1.755 1.00 0.00 S ATOM 0 H CYS A 25 0.134 3.211 2.218 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.041 0.715 3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.417 0.155 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.808 1.279 0.958 1.00 0.00 H new ATOM 312 N TYR A 26 2.216 1.295 4.794 1.00 0.00 N ATOM 313 CA TYR A 26 3.559 1.575 5.298 1.00 0.00 C ATOM 314 C TYR A 26 4.497 0.439 4.949 1.00 0.00 C ATOM 315 O TYR A 26 4.181 -0.733 5.165 1.00 0.00 O ATOM 316 CB TYR A 26 3.592 1.772 6.821 1.00 0.00 C ATOM 317 CG TYR A 26 2.882 2.994 7.365 1.00 0.00 C ATOM 318 CD1 TYR A 26 3.470 4.251 7.308 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.644 2.878 7.989 1.00 0.00 C ATOM 320 CE1 TYR A 26 2.843 5.359 7.850 1.00 0.00 C ATOM 321 CE2 TYR A 26 1.009 3.981 8.526 1.00 0.00 C ATOM 322 CZ TYR A 26 1.613 5.217 8.457 1.00 0.00 C ATOM 323 OH TYR A 26 0.990 6.316 9.004 1.00 0.00 O ATOM 0 H TYR A 26 1.609 0.787 5.437 1.00 0.00 H new ATOM 0 HA TYR A 26 3.876 2.503 4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.155 0.889 7.288 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.635 1.816 7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.433 4.366 6.833 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.171 1.909 8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.314 6.329 7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.043 3.875 8.998 1.00 0.00 H new ATOM 0 HH TYR A 26 0.131 6.046 9.392 1.00 0.00 H new ATOM 333 N VAL A 27 5.658 0.793 4.427 1.00 0.00 N ATOM 334 CA VAL A 27 6.694 -0.172 4.118 1.00 0.00 C ATOM 335 C VAL A 27 8.018 0.373 4.673 1.00 0.00 C ATOM 336 O VAL A 27 8.589 1.305 4.111 1.00 0.00 O ATOM 337 CB VAL A 27 6.813 -0.391 2.585 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.816 -1.488 2.265 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.455 -0.733 1.978 1.00 0.00 C ATOM 0 H VAL A 27 5.907 1.757 4.206 1.00 0.00 H new ATOM 0 HA VAL A 27 6.449 -1.134 4.569 1.00 0.00 H new ATOM 0 HB VAL A 27 7.168 0.541 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.879 -1.620 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.796 -1.210 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.494 -2.422 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.564 -0.882 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.072 -1.646 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.758 0.084 2.162 1.00 0.00 H new ATOM 349 N SER A 28 8.494 -0.183 5.780 1.00 0.00 N ATOM 350 CA SER A 28 9.609 0.425 6.507 1.00 0.00 C ATOM 351 C SER A 28 10.792 -0.543 6.686 1.00 0.00 C ATOM 352 O SER A 28 10.598 -1.695 7.068 1.00 0.00 O ATOM 353 CB SER A 28 9.084 0.895 7.870 1.00 0.00 C ATOM 354 OG SER A 28 8.573 -0.196 8.622 1.00 0.00 O ATOM 0 H SER A 28 8.133 -1.043 6.193 1.00 0.00 H new ATOM 0 HA SER A 28 9.991 1.266 5.928 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.887 1.380 8.425 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.301 1.640 7.725 1.00 0.00 H new ATOM 0 HG SER A 28 8.246 0.128 9.487 1.00 0.00 H new ATOM 360 N GLY A 29 12.014 -0.063 6.408 1.00 0.00 N ATOM 361 CA GLY A 29 13.217 -0.881 6.590 1.00 0.00 C ATOM 362 C GLY A 29 13.836 -1.287 5.271 1.00 0.00 C ATOM 363 O GLY A 29 14.934 -1.845 5.228 1.00 0.00 O ATOM 0 H GLY A 29 12.192 0.879 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.948 -0.324 7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.964 -1.774 7.161 1.00 0.00 H new ATOM 367 N PHE A 30 13.135 -0.985 4.197 1.00 0.00 N ATOM 368 CA PHE A 30 13.545 -1.388 2.860 1.00 0.00 C ATOM 369 C PHE A 30 14.103 -0.203 2.078 1.00 0.00 C ATOM 370 O PHE A 30 13.696 0.933 2.299 1.00 0.00 O ATOM 371 CB PHE A 30 12.336 -1.961 2.131 1.00 0.00 C ATOM 372 CG PHE A 30 11.664 -3.091 2.886 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.047 -4.411 2.678 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.656 -2.832 3.812 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.438 -5.447 3.368 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.046 -3.869 4.509 1.00 0.00 C ATOM 377 CZ PHE A 30 10.438 -5.172 4.284 1.00 0.00 C ATOM 0 H PHE A 30 12.265 -0.454 4.223 1.00 0.00 H new ATOM 0 HA PHE A 30 14.331 -2.139 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.611 -1.165 1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.648 -2.322 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.831 -4.632 1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.345 -1.813 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.743 -6.468 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.267 -3.655 5.225 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.964 -5.979 4.823 1.00 0.00 H new ATOM 387 N HIS A 31 15.028 -0.467 1.161 1.00 0.00 N ATOM 388 CA HIS A 31 15.563 0.596 0.307 1.00 0.00 C ATOM 389 C HIS A 31 14.587 0.941 -0.797 1.00 0.00 C ATOM 390 O HIS A 31 14.254 0.090 -1.611 1.00 0.00 O ATOM 391 CB HIS A 31 16.922 0.238 -0.326 1.00 0.00 C ATOM 392 CG HIS A 31 17.184 -1.222 -0.539 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.178 -1.866 0.153 1.00 0.00 N ATOM 394 CD2 HIS A 31 16.616 -2.091 -1.403 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.200 -3.101 -0.307 1.00 0.00 C ATOM 396 NE2 HIS A 31 17.272 -3.289 -1.255 1.00 0.00 N ATOM 0 H HIS A 31 15.420 -1.393 0.989 1.00 0.00 H new ATOM 0 HA HIS A 31 15.714 1.454 0.962 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.997 0.744 -1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.713 0.640 0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.801 -1.884 -2.081 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.881 -3.866 0.037 1.00 0.00 H new ATOM 0 HE2 HIS A 31 17.089 -4.152 -1.766 1.00 0.00 H new ATOM 404 N PRO A 32 14.153 2.211 -0.859 1.00 0.00 N ATOM 405 CA PRO A 32 13.213 2.697 -1.887 1.00 0.00 C ATOM 406 C PRO A 32 13.719 2.479 -3.322 1.00 0.00 C ATOM 407 O PRO A 32 13.047 2.840 -4.288 1.00 0.00 O ATOM 408 CB PRO A 32 13.107 4.201 -1.591 1.00 0.00 C ATOM 409 CG PRO A 32 13.504 4.350 -0.163 1.00 0.00 C ATOM 410 CD PRO A 32 14.525 3.275 0.093 1.00 0.00 C ATOM 0 HA PRO A 32 12.265 2.161 -1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.763 4.777 -2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.093 4.564 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.922 5.339 0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.643 4.237 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.539 3.635 -0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.487 2.922 1.124 1.00 0.00 H new ATOM 418 N SER A 33 14.906 1.900 -3.456 1.00 0.00 N ATOM 419 CA SER A 33 15.477 1.632 -4.760 1.00 0.00 C ATOM 420 C SER A 33 15.221 0.183 -5.202 1.00 0.00 C ATOM 421 O SER A 33 14.862 -0.043 -6.356 1.00 0.00 O ATOM 422 CB SER A 33 16.976 1.968 -4.762 1.00 0.00 C ATOM 423 OG SER A 33 17.621 1.526 -5.946 1.00 0.00 O ATOM 0 H SER A 33 15.490 1.608 -2.672 1.00 0.00 H new ATOM 0 HA SER A 33 14.983 2.275 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.106 3.045 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.452 1.506 -3.897 1.00 0.00 H new ATOM 0 HG SER A 33 18.572 1.761 -5.908 1.00 0.00 H new ATOM 429 N ASP A 34 15.367 -0.810 -4.311 1.00 0.00 N ATOM 430 CA ASP A 34 15.178 -2.201 -4.762 1.00 0.00 C ATOM 431 C ASP A 34 13.970 -2.881 -4.131 1.00 0.00 C ATOM 432 O ASP A 34 14.061 -4.039 -3.720 1.00 0.00 O ATOM 433 CB ASP A 34 16.407 -3.087 -4.522 1.00 0.00 C ATOM 434 CG ASP A 34 17.568 -2.743 -5.425 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.429 -2.884 -6.661 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.633 -2.368 -4.907 1.00 0.00 O ATOM 0 H ASP A 34 15.602 -0.691 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 34 15.011 -2.102 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.721 -2.990 -3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.131 -4.130 -4.675 1.00 0.00 H new ATOM 441 N ILE A 35 12.841 -2.192 -4.035 1.00 0.00 N ATOM 442 CA ILE A 35 11.629 -2.858 -3.583 1.00 0.00 C ATOM 443 C ILE A 35 10.480 -2.619 -4.553 1.00 0.00 C ATOM 444 O ILE A 35 10.570 -1.778 -5.450 1.00 0.00 O ATOM 445 CB ILE A 35 11.205 -2.427 -2.151 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.217 -1.245 -2.178 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.422 -2.093 -1.297 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.705 -0.867 -0.805 1.00 0.00 C ATOM 0 H ILE A 35 12.739 -1.202 -4.257 1.00 0.00 H new ATOM 0 HA ILE A 35 11.861 -3.923 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 35 10.691 -3.275 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.706 -0.381 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.372 -1.501 -2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.096 -1.795 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.065 -2.970 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.976 -1.275 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.014 -0.029 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.188 -1.719 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.544 -0.581 -0.170 1.00 0.00 H new ATOM 460 N GLU A 36 9.417 -3.383 -4.373 1.00 0.00 N ATOM 461 CA GLU A 36 8.222 -3.270 -5.194 1.00 0.00 C ATOM 462 C GLU A 36 6.978 -3.295 -4.312 1.00 0.00 C ATOM 463 O GLU A 36 6.678 -4.314 -3.696 1.00 0.00 O ATOM 464 CB GLU A 36 8.156 -4.422 -6.192 1.00 0.00 C ATOM 465 CG GLU A 36 9.245 -4.383 -7.258 1.00 0.00 C ATOM 466 CD GLU A 36 9.368 -5.699 -7.998 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.835 -5.805 -9.123 1.00 0.00 O ATOM 468 OE2 GLU A 36 9.996 -6.636 -7.460 1.00 0.00 O ATOM 0 H GLU A 36 9.357 -4.102 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 36 8.263 -2.326 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.228 -5.364 -5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.182 -4.410 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.026 -3.587 -7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.200 -4.140 -6.791 1.00 0.00 H new ATOM 475 N VAL A 37 6.272 -2.176 -4.242 1.00 0.00 N ATOM 476 CA VAL A 37 5.048 -2.082 -3.446 1.00 0.00 C ATOM 477 C VAL A 37 3.911 -1.508 -4.292 1.00 0.00 C ATOM 478 O VAL A 37 4.099 -0.518 -5.000 1.00 0.00 O ATOM 479 CB VAL A 37 5.260 -1.231 -2.153 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.456 -0.305 -2.306 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.016 -0.422 -1.796 1.00 0.00 C ATOM 0 H VAL A 37 6.524 -1.315 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 37 4.779 -3.089 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 37 5.453 -1.929 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.584 0.278 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.353 -0.897 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.289 0.369 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.205 0.156 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.775 0.255 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.178 -1.099 -1.626 1.00 0.00 H new ATOM 491 N ASP A 38 2.741 -2.145 -4.233 1.00 0.00 N ATOM 492 CA ASP A 38 1.577 -1.673 -4.974 1.00 0.00 C ATOM 493 C ASP A 38 0.341 -1.695 -4.075 1.00 0.00 C ATOM 494 O ASP A 38 0.311 -2.392 -3.059 1.00 0.00 O ATOM 495 CB ASP A 38 1.289 -2.546 -6.216 1.00 0.00 C ATOM 496 CG ASP A 38 2.376 -2.516 -7.268 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.122 -3.514 -7.380 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.454 -1.528 -8.021 1.00 0.00 O ATOM 0 H ASP A 38 2.577 -2.987 -3.681 1.00 0.00 H new ATOM 0 HA ASP A 38 1.798 -0.658 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.141 -3.577 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.354 -2.216 -6.668 1.00 0.00 H new ATOM 503 N LEU A 39 -0.684 -0.952 -4.475 1.00 0.00 N ATOM 504 CA LEU A 39 -1.956 -0.946 -3.761 1.00 0.00 C ATOM 505 C LEU A 39 -2.981 -1.749 -4.562 1.00 0.00 C ATOM 506 O LEU A 39 -3.173 -1.509 -5.757 1.00 0.00 O ATOM 507 CB LEU A 39 -2.446 0.489 -3.500 1.00 0.00 C ATOM 508 CG LEU A 39 -1.922 1.146 -2.204 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.428 1.413 -2.267 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.664 2.439 -1.915 1.00 0.00 C ATOM 0 H LEU A 39 -0.659 -0.343 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.821 -1.412 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.156 1.113 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.536 0.482 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.105 0.440 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.101 1.875 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.104 0.473 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.213 2.083 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.277 2.883 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.521 3.134 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.727 2.230 -1.797 1.00 0.00 H new ATOM 522 N LEU A 40 -3.611 -2.722 -3.909 1.00 0.00 N ATOM 523 CA LEU A 40 -4.448 -3.707 -4.594 1.00 0.00 C ATOM 524 C LEU A 40 -5.888 -3.732 -4.086 1.00 0.00 C ATOM 525 O LEU A 40 -6.225 -3.142 -3.059 1.00 0.00 O ATOM 526 CB LEU A 40 -3.900 -5.125 -4.398 1.00 0.00 C ATOM 527 CG LEU A 40 -2.451 -5.393 -4.808 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.259 -6.892 -4.973 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.073 -4.676 -6.097 1.00 0.00 C ATOM 0 H LEU A 40 -3.558 -2.851 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.433 -3.405 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.002 -5.381 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.538 -5.811 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.799 -5.006 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.229 -7.097 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.475 -7.393 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.935 -7.263 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.035 -4.898 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.721 -5.015 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.192 -3.601 -5.964 1.00 0.00 H new ATOM 541 N LYS A 41 -6.715 -4.460 -4.832 1.00 0.00 N ATOM 542 CA LYS A 41 -8.053 -4.847 -4.417 1.00 0.00 C ATOM 543 C LYS A 41 -8.146 -6.345 -4.535 1.00 0.00 C ATOM 544 O LYS A 41 -8.217 -6.841 -5.652 1.00 0.00 O ATOM 545 CB LYS A 41 -9.132 -4.259 -5.344 1.00 0.00 C ATOM 546 CG LYS A 41 -8.730 -2.943 -5.994 1.00 0.00 C ATOM 547 CD LYS A 41 -9.779 -2.393 -6.985 1.00 0.00 C ATOM 548 CE LYS A 41 -11.177 -2.218 -6.362 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.130 -1.437 -5.098 1.00 0.00 N ATOM 0 H LYS A 41 -6.465 -4.802 -5.760 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.219 -4.483 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.362 -4.984 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.047 -4.106 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.556 -2.201 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.785 -3.081 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.437 -1.431 -7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.851 -3.068 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.831 -1.715 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.612 -3.198 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.098 -1.212 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.656 -1.997 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.602 -0.555 -5.255 1.00 0.00 H new ATOM 563 N ASN A 42 -8.169 -7.060 -3.411 1.00 0.00 N ATOM 564 CA ASN A 42 -8.218 -8.530 -3.430 1.00 0.00 C ATOM 565 C ASN A 42 -7.335 -9.106 -4.538 1.00 0.00 C ATOM 566 O ASN A 42 -7.763 -9.945 -5.333 1.00 0.00 O ATOM 567 CB ASN A 42 -9.678 -9.035 -3.539 1.00 0.00 C ATOM 568 CG ASN A 42 -10.528 -8.248 -4.524 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.719 -8.647 -5.672 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.009 -7.095 -4.073 1.00 0.00 N ATOM 0 H ASN A 42 -8.155 -6.651 -2.476 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.816 -8.889 -2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.669 -10.083 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.143 -8.989 -2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.563 -6.498 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.824 -6.806 -3.112 1.00 0.00 H new ATOM 577 N GLY A 43 -6.086 -8.642 -4.567 1.00 0.00 N ATOM 578 CA GLY A 43 -5.138 -9.100 -5.566 1.00 0.00 C ATOM 579 C GLY A 43 -5.316 -8.479 -6.944 1.00 0.00 C ATOM 580 O GLY A 43 -4.933 -9.089 -7.941 1.00 0.00 O ATOM 0 H GLY A 43 -5.715 -7.954 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.129 -8.887 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.222 -10.183 -5.657 1.00 0.00 H new ATOM 584 N GLU A 44 -5.879 -7.284 -7.020 1.00 0.00 N ATOM 585 CA GLU A 44 -6.101 -6.635 -8.310 1.00 0.00 C ATOM 586 C GLU A 44 -5.524 -5.220 -8.274 1.00 0.00 C ATOM 587 O GLU A 44 -5.973 -4.382 -7.491 1.00 0.00 O ATOM 588 CB GLU A 44 -7.607 -6.633 -8.635 1.00 0.00 C ATOM 589 CG GLU A 44 -7.982 -6.172 -10.042 1.00 0.00 C ATOM 590 CD GLU A 44 -8.624 -4.801 -10.057 1.00 0.00 C ATOM 591 OE1 GLU A 44 -8.074 -3.893 -10.713 1.00 0.00 O ATOM 592 OE2 GLU A 44 -9.698 -4.640 -9.439 1.00 0.00 O ATOM 0 H GLU A 44 -6.190 -6.744 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.591 -7.184 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.993 -7.642 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.114 -5.991 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.088 -6.157 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.667 -6.894 -10.486 1.00 0.00 H new ATOM 599 N ARG A 45 -4.486 -4.991 -9.079 1.00 0.00 N ATOM 600 CA ARG A 45 -3.780 -3.716 -9.114 1.00 0.00 C ATOM 601 C ARG A 45 -4.738 -2.559 -9.412 1.00 0.00 C ATOM 602 O ARG A 45 -5.338 -2.487 -10.483 1.00 0.00 O ATOM 603 CB ARG A 45 -2.649 -3.778 -10.175 1.00 0.00 C ATOM 604 CG ARG A 45 -1.485 -2.825 -9.895 1.00 0.00 C ATOM 605 CD ARG A 45 -0.239 -3.079 -10.776 1.00 0.00 C ATOM 606 NE ARG A 45 0.875 -3.632 -10.004 1.00 0.00 N ATOM 607 CZ ARG A 45 1.776 -4.482 -10.494 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.570 -5.084 -11.661 1.00 0.00 N ATOM 609 NH2 ARG A 45 2.868 -4.761 -9.793 1.00 0.00 N ATOM 0 H ARG A 45 -4.113 -5.687 -9.725 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.342 -3.533 -8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.267 -4.798 -10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.069 -3.546 -11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.823 -1.800 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.200 -2.914 -8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.498 -3.766 -11.581 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.072 -2.144 -11.242 1.00 0.00 H new ATOM 0 HE ARG A 45 0.967 -3.348 -9.029 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.717 -4.896 -12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.265 -5.734 -12.029 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.015 -4.325 -8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.560 -5.411 -10.165 1.00 0.00 H new ATOM 623 N ILE A 46 -4.848 -1.653 -8.430 1.00 0.00 N ATOM 624 CA ILE A 46 -5.765 -0.516 -8.486 1.00 0.00 C ATOM 625 C ILE A 46 -5.484 0.387 -9.685 1.00 0.00 C ATOM 626 O ILE A 46 -6.311 0.447 -10.583 1.00 0.00 O ATOM 627 CB ILE A 46 -5.710 0.292 -7.164 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.115 -0.629 -6.004 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.616 1.526 -7.224 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.029 -0.004 -4.634 1.00 0.00 C ATOM 0 H ILE A 46 -4.298 -1.693 -7.572 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.772 -0.914 -8.612 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.693 0.652 -7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.138 -0.968 -6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.479 -1.514 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.554 2.069 -6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.294 2.175 -8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.646 1.213 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.335 -0.732 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.003 0.309 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.687 0.864 -4.588 1.00 0.00 H new ATOM 642 N GLU A 47 -4.390 1.167 -9.601 1.00 0.00 N ATOM 643 CA GLU A 47 -3.733 1.856 -10.747 1.00 0.00 C ATOM 644 C GLU A 47 -3.363 3.286 -10.368 1.00 0.00 C ATOM 645 O GLU A 47 -2.294 3.766 -10.736 1.00 0.00 O ATOM 646 CB GLU A 47 -4.565 1.936 -12.044 1.00 0.00 C ATOM 647 CG GLU A 47 -4.674 0.641 -12.841 1.00 0.00 C ATOM 648 CD GLU A 47 -5.033 0.898 -14.287 1.00 0.00 C ATOM 649 OE1 GLU A 47 -6.225 1.130 -14.571 1.00 0.00 O ATOM 650 OE2 GLU A 47 -4.121 0.891 -15.142 1.00 0.00 O ATOM 0 H GLU A 47 -3.920 1.345 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.863 1.234 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.571 2.269 -11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.129 2.701 -12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.727 0.104 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.429 -0.002 -12.388 1.00 0.00 H new ATOM 657 N LYS A 48 -4.238 3.972 -9.622 1.00 0.00 N ATOM 658 CA LYS A 48 -4.067 5.404 -9.372 1.00 0.00 C ATOM 659 C LYS A 48 -3.110 5.648 -8.212 1.00 0.00 C ATOM 660 O LYS A 48 -3.429 6.382 -7.275 1.00 0.00 O ATOM 661 CB LYS A 48 -5.415 6.079 -9.060 1.00 0.00 C ATOM 662 CG LYS A 48 -6.560 5.725 -10.019 1.00 0.00 C ATOM 663 CD LYS A 48 -6.131 5.798 -11.477 1.00 0.00 C ATOM 664 CE LYS A 48 -5.617 7.183 -11.850 1.00 0.00 C ATOM 665 NZ LYS A 48 -5.210 7.254 -13.278 1.00 0.00 N ATOM 0 H LYS A 48 -5.063 3.561 -9.186 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.650 5.839 -10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.713 5.808 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.273 7.160 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.920 4.720 -9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.395 6.406 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.351 5.059 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.975 5.539 -12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.393 7.923 -11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.767 7.438 -11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.866 8.211 -13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.452 6.565 -13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.027 7.035 -13.883 1.00 0.00 H new ATOM 679 N VAL A 49 -1.925 5.077 -8.296 1.00 0.00 N ATOM 680 CA VAL A 49 -0.982 5.161 -7.205 1.00 0.00 C ATOM 681 C VAL A 49 0.318 5.780 -7.712 1.00 0.00 C ATOM 682 O VAL A 49 0.841 5.387 -8.758 1.00 0.00 O ATOM 683 CB VAL A 49 -0.741 3.770 -6.542 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.660 3.245 -6.784 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.018 3.835 -5.053 1.00 0.00 C ATOM 0 H VAL A 49 -1.595 4.552 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.397 5.801 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.436 3.074 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.773 2.275 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.829 3.139 -7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.387 3.944 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.845 2.855 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.355 4.566 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.054 4.130 -4.888 1.00 0.00 H new ATOM 695 N GLU A 50 0.798 6.782 -6.997 1.00 0.00 N ATOM 696 CA GLU A 50 2.007 7.500 -7.397 1.00 0.00 C ATOM 697 C GLU A 50 2.778 8.024 -6.195 1.00 0.00 C ATOM 698 O GLU A 50 2.284 8.878 -5.459 1.00 0.00 O ATOM 699 CB GLU A 50 1.651 8.681 -8.310 1.00 0.00 C ATOM 700 CG GLU A 50 1.464 8.310 -9.773 1.00 0.00 C ATOM 701 CD GLU A 50 2.766 7.932 -10.449 1.00 0.00 C ATOM 702 OE1 GLU A 50 2.721 7.482 -11.613 1.00 0.00 O ATOM 703 OE2 GLU A 50 3.844 8.102 -9.833 1.00 0.00 O ATOM 0 H GLU A 50 0.372 7.121 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 50 2.637 6.789 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.734 9.143 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.438 9.432 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.765 7.476 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.014 9.150 -10.302 1.00 0.00 H new ATOM 710 N HIS A 51 3.973 7.489 -5.975 1.00 0.00 N ATOM 711 CA HIS A 51 4.887 8.054 -5.000 1.00 0.00 C ATOM 712 C HIS A 51 6.323 7.729 -5.369 1.00 0.00 C ATOM 713 O HIS A 51 6.615 6.643 -5.875 1.00 0.00 O ATOM 714 CB HIS A 51 4.595 7.518 -3.594 1.00 0.00 C ATOM 715 CG HIS A 51 5.579 7.990 -2.560 1.00 0.00 C ATOM 716 ND1 HIS A 51 6.495 7.128 -2.009 1.00 0.00 N ATOM 717 CD2 HIS A 51 5.769 9.227 -2.032 1.00 0.00 C ATOM 718 CE1 HIS A 51 7.216 7.848 -1.173 1.00 0.00 C ATOM 719 NE2 HIS A 51 6.817 9.126 -1.150 1.00 0.00 N ATOM 0 H HIS A 51 4.328 6.665 -6.460 1.00 0.00 H new ATOM 0 HA HIS A 51 4.745 9.135 -5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.592 7.824 -3.297 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.601 6.428 -3.620 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.204 10.119 -2.262 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.029 7.456 -0.580 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.214 9.878 -0.587 1.00 0.00 H new ATOM 727 N SER A 52 7.206 8.682 -5.140 1.00 0.00 N ATOM 728 CA SER A 52 8.633 8.434 -5.250 1.00 0.00 C ATOM 729 C SER A 52 9.430 9.412 -4.381 1.00 0.00 C ATOM 730 O SER A 52 9.312 10.625 -4.553 1.00 0.00 O ATOM 731 CB SER A 52 9.067 8.532 -6.717 1.00 0.00 C ATOM 732 OG SER A 52 8.413 9.610 -7.373 1.00 0.00 O ATOM 0 H SER A 52 6.961 9.636 -4.876 1.00 0.00 H new ATOM 0 HA SER A 52 8.840 7.427 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.147 8.670 -6.772 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.839 7.598 -7.230 1.00 0.00 H new ATOM 0 HG SER A 52 8.708 9.652 -8.307 1.00 0.00 H new ATOM 738 N ASP A 53 10.220 8.896 -3.430 1.00 0.00 N ATOM 739 CA ASP A 53 11.064 9.761 -2.606 1.00 0.00 C ATOM 740 C ASP A 53 12.419 9.122 -2.328 1.00 0.00 C ATOM 741 O ASP A 53 12.614 8.485 -1.294 1.00 0.00 O ATOM 742 CB ASP A 53 10.387 10.109 -1.274 1.00 0.00 C ATOM 743 CG ASP A 53 9.457 11.303 -1.366 1.00 0.00 C ATOM 744 OD1 ASP A 53 8.334 11.235 -0.823 1.00 0.00 O ATOM 745 OD2 ASP A 53 9.849 12.324 -1.972 1.00 0.00 O ATOM 0 H ASP A 53 10.290 7.901 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 53 11.215 10.678 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.823 9.244 -0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.154 10.312 -0.527 1.00 0.00 H new ATOM 750 N LEU A 54 13.333 9.312 -3.273 1.00 0.00 N ATOM 751 CA LEU A 54 14.755 8.988 -3.118 1.00 0.00 C ATOM 752 C LEU A 54 15.437 9.079 -4.476 1.00 0.00 C ATOM 753 O LEU A 54 14.815 8.820 -5.508 1.00 0.00 O ATOM 754 CB LEU A 54 14.987 7.579 -2.522 1.00 0.00 C ATOM 755 CG LEU A 54 15.495 6.500 -3.519 1.00 0.00 C ATOM 756 CD1 LEU A 54 16.287 5.378 -2.829 1.00 0.00 C ATOM 757 CD2 LEU A 54 14.333 5.900 -4.296 1.00 0.00 C ATOM 0 H LEU A 54 13.107 9.703 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 54 15.180 9.708 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 54 15.707 7.663 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.051 7.231 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 54 16.174 7.008 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.616 4.654 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 54 17.156 5.802 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 54 15.651 4.881 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.709 5.147 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 54 13.632 5.437 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.825 6.686 -4.855 1.00 0.00 H new ATOM 769 N SER A 55 16.697 9.484 -4.476 1.00 0.00 N ATOM 770 CA SER A 55 17.506 9.407 -5.679 1.00 0.00 C ATOM 771 C SER A 55 18.372 8.156 -5.612 1.00 0.00 C ATOM 772 O SER A 55 18.333 7.305 -6.500 1.00 0.00 O ATOM 773 CB SER A 55 18.384 10.654 -5.793 1.00 0.00 C ATOM 774 OG SER A 55 17.617 11.832 -5.603 1.00 0.00 O ATOM 0 H SER A 55 17.178 9.867 -3.662 1.00 0.00 H new ATOM 0 HA SER A 55 16.862 9.355 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.182 10.611 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.861 10.680 -6.773 1.00 0.00 H new ATOM 0 HG SER A 55 18.199 12.617 -5.678 1.00 0.00 H new ATOM 780 N PHE A 56 19.150 8.065 -4.542 1.00 0.00 N ATOM 781 CA PHE A 56 19.858 6.845 -4.196 1.00 0.00 C ATOM 782 C PHE A 56 20.218 6.863 -2.718 1.00 0.00 C ATOM 783 O PHE A 56 20.431 7.930 -2.145 1.00 0.00 O ATOM 784 CB PHE A 56 21.122 6.693 -5.051 1.00 0.00 C ATOM 785 CG PHE A 56 21.877 5.421 -4.781 1.00 0.00 C ATOM 786 CD1 PHE A 56 23.112 5.452 -4.157 1.00 0.00 C ATOM 787 CD2 PHE A 56 21.344 4.195 -5.144 1.00 0.00 C ATOM 788 CE1 PHE A 56 23.805 4.283 -3.900 1.00 0.00 C ATOM 789 CE2 PHE A 56 22.031 3.024 -4.891 1.00 0.00 C ATOM 790 CZ PHE A 56 23.262 3.068 -4.269 1.00 0.00 C ATOM 0 H PHE A 56 19.306 8.835 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 56 19.209 5.992 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 56 20.845 6.725 -6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.780 7.543 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 56 23.540 6.400 -3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.381 4.154 -5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 56 24.768 4.320 -3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.605 2.074 -5.180 1.00 0.00 H new ATOM 0 HZ PHE A 56 23.800 2.153 -4.071 1.00 0.00 H new ATOM 800 N SER A 57 20.265 5.687 -2.103 1.00 0.00 N ATOM 801 CA SER A 57 20.610 5.578 -0.696 1.00 0.00 C ATOM 802 C SER A 57 20.967 4.141 -0.330 1.00 0.00 C ATOM 803 O SER A 57 22.139 3.819 -0.138 1.00 0.00 O ATOM 804 CB SER A 57 19.449 6.075 0.171 1.00 0.00 C ATOM 805 OG SER A 57 18.222 5.470 -0.218 1.00 0.00 O ATOM 0 H SER A 57 20.068 4.796 -2.560 1.00 0.00 H new ATOM 0 HA SER A 57 21.484 6.201 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.652 5.851 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.366 7.159 0.087 1.00 0.00 H new ATOM 0 HG SER A 57 17.477 5.922 0.231 1.00 0.00 H new ATOM 811 N LYS A 58 19.946 3.285 -0.268 1.00 0.00 N ATOM 812 CA LYS A 58 20.099 1.904 0.183 1.00 0.00 C ATOM 813 C LYS A 58 20.636 1.882 1.608 1.00 0.00 C ATOM 814 O LYS A 58 21.817 1.625 1.844 1.00 0.00 O ATOM 815 CB LYS A 58 21.003 1.094 -0.755 1.00 0.00 C ATOM 816 CG LYS A 58 20.450 0.950 -2.162 1.00 0.00 C ATOM 817 CD LYS A 58 21.246 -0.062 -2.969 1.00 0.00 C ATOM 818 CE LYS A 58 20.674 -0.231 -4.366 1.00 0.00 C ATOM 819 NZ LYS A 58 21.296 -1.370 -5.093 1.00 0.00 N ATOM 0 H LYS A 58 18.991 3.531 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 58 19.117 1.431 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.981 1.573 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 58 21.156 0.102 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 58 19.406 0.640 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 58 20.473 1.917 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.285 0.261 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.243 -1.023 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.598 -0.389 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.827 0.687 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.710 -1.029 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.042 -1.792 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.571 -2.087 -5.300 1.00 0.00 H new ATOM 833 N ASP A 59 19.743 2.153 2.552 1.00 0.00 N ATOM 834 CA ASP A 59 20.107 2.304 3.957 1.00 0.00 C ATOM 835 C ASP A 59 18.839 2.406 4.789 1.00 0.00 C ATOM 836 O ASP A 59 18.549 1.547 5.622 1.00 0.00 O ATOM 837 CB ASP A 59 20.973 3.555 4.166 1.00 0.00 C ATOM 838 CG ASP A 59 21.530 3.650 5.573 1.00 0.00 C ATOM 839 OD1 ASP A 59 20.947 4.377 6.407 1.00 0.00 O ATOM 840 OD2 ASP A 59 22.561 3.002 5.847 1.00 0.00 O ATOM 0 H ASP A 59 18.747 2.274 2.366 1.00 0.00 H new ATOM 0 HA ASP A 59 20.687 1.435 4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 59 21.797 3.545 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.378 4.444 3.954 1.00 0.00 H new ATOM 845 N TRP A 60 18.071 3.452 4.530 1.00 0.00 N ATOM 846 CA TRP A 60 16.789 3.649 5.189 1.00 0.00 C ATOM 847 C TRP A 60 15.648 3.574 4.197 1.00 0.00 C ATOM 848 O TRP A 60 15.843 3.271 3.018 1.00 0.00 O ATOM 849 CB TRP A 60 16.733 5.005 5.914 1.00 0.00 C ATOM 850 CG TRP A 60 17.245 6.198 5.137 1.00 0.00 C ATOM 851 CD1 TRP A 60 18.150 7.110 5.604 1.00 0.00 C ATOM 852 CD2 TRP A 60 16.900 6.637 3.788 1.00 0.00 C ATOM 853 NE1 TRP A 60 18.383 8.072 4.660 1.00 0.00 N ATOM 854 CE2 TRP A 60 17.647 7.806 3.541 1.00 0.00 C ATOM 855 CE3 TRP A 60 16.048 6.170 2.763 1.00 0.00 C ATOM 856 CZ2 TRP A 60 17.574 8.509 2.339 1.00 0.00 C ATOM 857 CZ3 TRP A 60 15.985 6.869 1.571 1.00 0.00 C ATOM 858 CH2 TRP A 60 16.743 8.025 1.367 1.00 0.00 C ATOM 0 H TRP A 60 18.316 4.183 3.862 1.00 0.00 H new ATOM 0 HA TRP A 60 16.684 2.849 5.921 1.00 0.00 H new ATOM 0 HB2 TRP A 60 15.699 5.199 6.198 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.308 4.924 6.837 1.00 0.00 H new ATOM 0 HD1 TRP A 60 18.614 7.076 6.578 1.00 0.00 H new ATOM 0 HE1 TRP A 60 19.011 8.867 4.775 1.00 0.00 H new ATOM 0 HE3 TRP A 60 15.454 5.280 2.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 18.155 9.406 2.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 15.337 6.514 0.783 1.00 0.00 H new ATOM 0 HH2 TRP A 60 16.671 8.546 0.424 1.00 0.00 H new ATOM 869 N SER A 61 14.460 3.820 4.705 1.00 0.00 N ATOM 870 CA SER A 61 13.326 4.186 3.886 1.00 0.00 C ATOM 871 C SER A 61 12.815 5.523 4.396 1.00 0.00 C ATOM 872 O SER A 61 11.998 6.175 3.753 1.00 0.00 O ATOM 873 CB SER A 61 12.213 3.134 3.990 1.00 0.00 C ATOM 874 OG SER A 61 12.718 1.908 4.490 1.00 0.00 O ATOM 0 H SER A 61 14.253 3.771 5.703 1.00 0.00 H new ATOM 0 HA SER A 61 13.625 4.249 2.840 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.422 3.500 4.645 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.766 2.974 3.009 1.00 0.00 H new ATOM 0 HG SER A 61 13.333 1.516 3.835 1.00 0.00 H new ATOM 880 N PHE A 62 13.377 5.914 5.557 1.00 0.00 N ATOM 881 CA PHE A 62 12.821 6.934 6.444 1.00 0.00 C ATOM 882 C PHE A 62 11.327 6.689 6.653 1.00 0.00 C ATOM 883 O PHE A 62 10.936 6.118 7.670 1.00 0.00 O ATOM 884 CB PHE A 62 13.175 8.395 6.069 1.00 0.00 C ATOM 885 CG PHE A 62 12.975 8.837 4.642 1.00 0.00 C ATOM 886 CD1 PHE A 62 14.045 8.844 3.769 1.00 0.00 C ATOM 887 CD2 PHE A 62 11.744 9.286 4.188 1.00 0.00 C ATOM 888 CE1 PHE A 62 13.897 9.283 2.471 1.00 0.00 C ATOM 889 CE2 PHE A 62 11.585 9.720 2.886 1.00 0.00 C ATOM 890 CZ PHE A 62 12.666 9.719 2.025 1.00 0.00 C ATOM 0 H PHE A 62 14.249 5.516 5.904 1.00 0.00 H new ATOM 0 HA PHE A 62 13.319 6.819 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.585 9.054 6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.222 8.559 6.324 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.011 8.501 4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.899 9.297 4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.745 9.286 1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.619 10.059 2.542 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.548 10.058 1.007 1.00 0.00 H new ATOM 900 N TYR A 63 10.504 7.078 5.696 1.00 0.00 N ATOM 901 CA TYR A 63 9.113 6.670 5.667 1.00 0.00 C ATOM 902 C TYR A 63 8.643 6.500 4.216 1.00 0.00 C ATOM 903 O TYR A 63 8.595 7.461 3.450 1.00 0.00 O ATOM 904 CB TYR A 63 8.244 7.672 6.457 1.00 0.00 C ATOM 905 CG TYR A 63 7.813 7.128 7.816 1.00 0.00 C ATOM 906 CD1 TYR A 63 8.370 7.606 9.004 1.00 0.00 C ATOM 907 CD2 TYR A 63 6.860 6.117 7.902 1.00 0.00 C ATOM 908 CE1 TYR A 63 7.984 7.087 10.234 1.00 0.00 C ATOM 909 CE2 TYR A 63 6.470 5.599 9.128 1.00 0.00 C ATOM 910 CZ TYR A 63 7.035 6.087 10.284 1.00 0.00 C ATOM 911 OH TYR A 63 6.650 5.569 11.498 1.00 0.00 O ATOM 0 H TYR A 63 10.780 7.682 4.922 1.00 0.00 H new ATOM 0 HA TYR A 63 9.006 5.702 6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.802 8.597 6.600 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.359 7.921 5.872 1.00 0.00 H new ATOM 0 HD1 TYR A 63 9.111 8.390 8.966 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.416 5.729 6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.424 7.464 11.145 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.727 4.817 9.175 1.00 0.00 H new ATOM 0 HH TYR A 63 5.973 4.874 11.357 1.00 0.00 H new ATOM 921 N LEU A 64 8.302 5.259 3.854 1.00 0.00 N ATOM 922 CA LEU A 64 7.815 4.932 2.511 1.00 0.00 C ATOM 923 C LEU A 64 6.310 4.753 2.583 1.00 0.00 C ATOM 924 O LEU A 64 5.813 3.939 3.364 1.00 0.00 O ATOM 925 CB LEU A 64 8.437 3.608 2.023 1.00 0.00 C ATOM 926 CG LEU A 64 9.711 3.695 1.164 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.381 2.326 1.086 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.380 4.191 -0.241 1.00 0.00 C ATOM 0 H LEU A 64 8.356 4.456 4.481 1.00 0.00 H new ATOM 0 HA LEU A 64 8.087 5.733 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.663 3.000 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.681 3.072 1.449 1.00 0.00 H new ATOM 0 HG LEU A 64 10.394 4.404 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.282 2.396 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.647 1.993 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.693 1.610 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.294 4.246 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.682 3.501 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.928 5.181 -0.180 1.00 0.00 H new ATOM 940 N LEU A 65 5.591 5.521 1.780 1.00 0.00 N ATOM 941 CA LEU A 65 4.138 5.476 1.752 1.00 0.00 C ATOM 942 C LEU A 65 3.631 5.894 0.380 1.00 0.00 C ATOM 943 O LEU A 65 4.155 6.829 -0.216 1.00 0.00 O ATOM 944 CB LEU A 65 3.572 6.426 2.811 1.00 0.00 C ATOM 945 CG LEU A 65 2.072 6.711 2.714 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.274 5.429 2.845 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.654 7.715 3.776 1.00 0.00 C ATOM 0 H LEU A 65 5.998 6.193 1.130 1.00 0.00 H new ATOM 0 HA LEU A 65 3.812 4.457 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.781 6.008 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.108 7.373 2.746 1.00 0.00 H new ATOM 0 HG LEU A 65 1.865 7.140 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.210 5.654 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.554 4.743 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.483 4.967 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.584 7.907 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.876 7.313 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.202 8.646 3.632 1.00 0.00 H new ATOM 959 N TYR A 66 2.591 5.236 -0.088 1.00 0.00 N ATOM 960 CA TYR A 66 2.033 5.507 -1.402 1.00 0.00 C ATOM 961 C TYR A 66 0.560 5.859 -1.249 1.00 0.00 C ATOM 962 O TYR A 66 -0.049 5.502 -0.243 1.00 0.00 O ATOM 963 CB TYR A 66 2.212 4.281 -2.315 1.00 0.00 C ATOM 964 CG TYR A 66 3.661 4.035 -2.712 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.587 3.541 -1.801 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.101 4.306 -4.004 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.905 3.327 -2.167 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.415 4.092 -4.375 1.00 0.00 C ATOM 969 CZ TYR A 66 6.310 3.604 -3.452 1.00 0.00 C ATOM 970 OH TYR A 66 7.617 3.392 -3.817 1.00 0.00 O ATOM 0 H TYR A 66 2.108 4.500 0.427 1.00 0.00 H new ATOM 0 HA TYR A 66 2.555 6.346 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.827 3.398 -1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.613 4.416 -3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.273 3.320 -0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.402 4.691 -4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.612 2.944 -1.446 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.737 4.307 -5.383 1.00 0.00 H new ATOM 0 HH TYR A 66 7.738 3.637 -4.758 1.00 0.00 H new ATOM 980 N TYR A 67 -0.024 6.544 -2.225 1.00 0.00 N ATOM 981 CA TYR A 67 -1.405 6.987 -2.076 1.00 0.00 C ATOM 982 C TYR A 67 -2.233 6.724 -3.340 1.00 0.00 C ATOM 983 O TYR A 67 -1.752 6.926 -4.456 1.00 0.00 O ATOM 984 CB TYR A 67 -1.488 8.470 -1.654 1.00 0.00 C ATOM 985 CG TYR A 67 -0.655 9.458 -2.463 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.520 9.994 -1.940 1.00 0.00 C ATOM 987 CD2 TYR A 67 -1.057 9.884 -3.725 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.267 10.918 -2.652 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.313 10.802 -4.442 1.00 0.00 C ATOM 990 CZ TYR A 67 0.846 11.316 -3.902 1.00 0.00 C ATOM 991 OH TYR A 67 1.586 12.234 -4.613 1.00 0.00 O ATOM 0 H TYR A 67 0.422 6.800 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.840 6.391 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.531 8.781 -1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.185 8.544 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.855 9.683 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.967 9.490 -4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.174 11.324 -2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.639 11.116 -5.423 1.00 0.00 H new ATOM 0 HH TYR A 67 1.153 12.406 -5.475 1.00 0.00 H new ATOM 1001 N THR A 68 -3.465 6.243 -3.148 1.00 0.00 N ATOM 1002 CA THR A 68 -4.417 6.050 -4.243 1.00 0.00 C ATOM 1003 C THR A 68 -5.824 6.402 -3.762 1.00 0.00 C ATOM 1004 O THR A 68 -6.153 6.215 -2.584 1.00 0.00 O ATOM 1005 CB THR A 68 -4.415 4.596 -4.803 1.00 0.00 C ATOM 1006 OG1 THR A 68 -5.122 4.545 -6.051 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.080 3.610 -3.857 1.00 0.00 C ATOM 0 H THR A 68 -3.828 5.978 -2.233 1.00 0.00 H new ATOM 0 HA THR A 68 -4.107 6.708 -5.054 1.00 0.00 H new ATOM 0 HB THR A 68 -3.369 4.317 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.979 3.672 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.052 2.612 -4.294 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.549 3.604 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.116 3.906 -3.693 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.623 6.951 -4.667 1.00 0.00 N ATOM 1016 CA GLU A 69 -8.026 7.253 -4.395 1.00 0.00 C ATOM 1017 C GLU A 69 -8.796 5.963 -4.127 1.00 0.00 C ATOM 1018 O GLU A 69 -8.604 4.973 -4.838 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.649 7.946 -5.610 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.689 9.001 -5.264 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.057 10.303 -4.829 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.308 10.743 -3.690 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -8.302 10.893 -5.630 1.00 0.00 O ATOM 0 H GLU A 69 -6.320 7.200 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.079 7.904 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.856 8.413 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.112 7.192 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.325 9.180 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.332 8.627 -4.468 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.655 5.953 -3.112 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.481 4.781 -2.860 1.00 0.00 C ATOM 1032 C PHE A 70 -11.919 5.163 -2.568 1.00 0.00 C ATOM 1033 O PHE A 70 -12.199 6.292 -2.191 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.902 3.944 -1.709 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.102 4.469 -0.303 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -9.010 4.704 0.508 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.367 4.695 0.215 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.174 5.152 1.809 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.535 5.150 1.506 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.442 5.376 2.305 1.00 0.00 C ATOM 0 H PHE A 70 -9.795 6.728 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.476 4.177 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.340 2.947 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.831 3.832 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.015 4.537 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.235 4.512 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.310 5.326 2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.529 5.329 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.574 5.728 3.318 1.00 0.00 H new ATOM 1050 N THR A 71 -12.825 4.222 -2.783 1.00 0.00 N ATOM 1051 CA THR A 71 -14.202 4.355 -2.328 1.00 0.00 C ATOM 1052 C THR A 71 -14.722 2.995 -1.842 1.00 0.00 C ATOM 1053 O THR A 71 -14.859 2.072 -2.644 1.00 0.00 O ATOM 1054 CB THR A 71 -15.081 4.905 -3.478 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.495 6.112 -3.984 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.496 5.195 -3.007 1.00 0.00 C ATOM 0 H THR A 71 -12.630 3.350 -3.274 1.00 0.00 H new ATOM 0 HA THR A 71 -14.246 5.057 -1.495 1.00 0.00 H new ATOM 0 HB THR A 71 -15.131 4.148 -4.260 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.047 6.463 -4.713 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.085 5.579 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.951 4.277 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.469 5.937 -2.209 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.978 2.820 -0.518 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.419 1.532 0.008 1.00 0.00 C ATOM 1066 C PRO A 72 -16.859 1.211 -0.338 1.00 0.00 C ATOM 1067 O PRO A 72 -17.740 2.074 -0.358 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.246 1.629 1.531 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.859 3.048 1.839 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.856 3.839 0.550 1.00 0.00 C ATOM 0 HA PRO A 72 -14.832 0.727 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.171 1.362 2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.479 0.936 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.560 3.485 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.874 3.079 2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.684 4.547 0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.938 4.417 0.443 1.00 0.00 H new ATOM 1078 N THR A 73 -17.052 -0.053 -0.630 1.00 0.00 N ATOM 1079 CA THR A 73 -18.347 -0.630 -0.915 1.00 0.00 C ATOM 1080 C THR A 73 -18.518 -1.824 0.006 1.00 0.00 C ATOM 1081 O THR A 73 -17.557 -2.225 0.646 1.00 0.00 O ATOM 1082 CB THR A 73 -18.409 -1.092 -2.387 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.400 -2.085 -2.606 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.187 0.081 -3.329 1.00 0.00 C ATOM 0 H THR A 73 -16.290 -0.730 -0.678 1.00 0.00 H new ATOM 0 HA THR A 73 -19.139 0.102 -0.756 1.00 0.00 H new ATOM 0 HB THR A 73 -19.395 -1.510 -2.588 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.805 -1.793 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.235 -0.267 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.959 0.832 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.208 0.520 -3.139 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.707 -2.384 0.106 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.885 -3.629 0.838 1.00 0.00 C ATOM 1094 C GLU A 74 -19.043 -4.777 0.227 1.00 0.00 C ATOM 1095 O GLU A 74 -18.875 -5.827 0.848 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.401 -3.973 0.891 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.739 -5.436 1.182 1.00 0.00 C ATOM 1098 CD GLU A 74 -23.046 -5.864 0.548 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -24.052 -5.980 1.276 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -23.074 -6.099 -0.678 1.00 0.00 O ATOM 0 H GLU A 74 -20.559 -2.004 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.520 -3.503 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.869 -3.352 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.851 -3.698 -0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -20.934 -6.072 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.795 -5.585 2.260 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.465 -4.566 -0.962 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.797 -5.658 -1.673 1.00 0.00 C ATOM 1109 C LYS A 75 -16.265 -5.528 -1.830 1.00 0.00 C ATOM 1110 O LYS A 75 -15.575 -6.543 -1.786 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.429 -5.855 -3.051 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.886 -6.327 -3.031 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.031 -7.833 -2.778 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.702 -8.249 -1.347 1.00 0.00 C ATOM 1115 NZ LYS A 75 -18.263 -8.586 -1.163 1.00 0.00 N ATOM 0 H LYS A 75 -18.447 -3.667 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.948 -6.527 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.375 -4.913 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.835 -6.581 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.427 -5.782 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.355 -6.079 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.053 -8.135 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.377 -8.372 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.972 -7.441 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.311 -9.111 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.916 -8.157 -0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.152 -9.619 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.715 -8.218 -1.966 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.718 -4.326 -2.015 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.333 -4.209 -2.467 1.00 0.00 C ATOM 1131 C ASP A 76 -13.340 -4.128 -1.293 1.00 0.00 C ATOM 1132 O ASP A 76 -13.454 -3.272 -0.416 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.157 -2.997 -3.385 1.00 0.00 C ATOM 1134 CG ASP A 76 -15.062 -3.043 -4.600 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -14.847 -3.913 -5.470 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -15.975 -2.205 -4.700 1.00 0.00 O ATOM 0 H ASP A 76 -16.200 -3.440 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.110 -5.117 -3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.361 -2.087 -2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.119 -2.943 -3.713 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.360 -5.019 -1.318 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.310 -5.127 -0.290 1.00 0.00 C ATOM 1143 C GLU A 77 -10.071 -4.366 -0.769 1.00 0.00 C ATOM 1144 O GLU A 77 -9.844 -4.258 -1.976 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.952 -6.605 -0.096 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.831 -6.887 0.903 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.330 -8.307 0.773 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -9.710 -9.161 1.601 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -8.567 -8.579 -0.178 1.00 0.00 O ATOM 0 H GLU A 77 -12.262 -5.706 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.662 -4.707 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.846 -7.137 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.667 -7.021 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.008 -6.191 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.192 -6.717 1.917 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.284 -3.839 0.156 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.062 -3.113 -0.206 1.00 0.00 C ATOM 1158 C TYR A 78 -6.830 -3.738 0.450 1.00 0.00 C ATOM 1159 O TYR A 78 -6.830 -4.022 1.650 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.188 -1.627 0.168 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.219 -0.878 -0.652 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.577 -1.010 -0.385 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.835 -0.047 -1.697 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.519 -0.332 -1.138 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.773 0.634 -2.447 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.112 0.483 -2.166 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.049 1.151 -2.917 1.00 0.00 O ATOM 0 H TYR A 78 -9.462 -3.896 1.159 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.933 -3.187 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.449 -1.548 1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.218 -1.146 0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.901 -1.651 0.422 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.786 0.068 -1.926 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.571 -0.443 -0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.457 1.283 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.917 1.118 -2.462 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.789 -3.966 -0.354 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.573 -4.628 0.107 1.00 0.00 C ATOM 1179 C ALA A 79 -3.322 -3.906 -0.397 1.00 0.00 C ATOM 1180 O ALA A 79 -3.401 -3.099 -1.319 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.574 -6.064 -0.390 1.00 0.00 C ATOM 0 H ALA A 79 -5.768 -3.697 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.555 -4.606 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.669 -6.567 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.448 -6.584 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.607 -6.072 -1.479 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.172 -4.172 0.220 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.907 -3.650 -0.288 1.00 0.00 C ATOM 1189 C CYS A 80 0.115 -4.781 -0.453 1.00 0.00 C ATOM 1190 O CYS A 80 0.323 -5.575 0.465 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.371 -2.557 0.638 1.00 0.00 C ATOM 1192 SG CYS A 80 1.268 -1.920 0.173 1.00 0.00 S ATOM 0 H CYS A 80 -2.091 -4.740 1.063 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.081 -3.208 -1.269 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.079 -1.729 0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.321 -2.950 1.654 1.00 0.00 H new ATOM 1197 N ARG A 81 0.710 -4.872 -1.642 1.00 0.00 N ATOM 1198 CA ARG A 81 1.646 -5.950 -1.981 1.00 0.00 C ATOM 1199 C ARG A 81 3.076 -5.423 -1.990 1.00 0.00 C ATOM 1200 O ARG A 81 3.358 -4.434 -2.664 1.00 0.00 O ATOM 1201 CB ARG A 81 1.300 -6.497 -3.373 1.00 0.00 C ATOM 1202 CG ARG A 81 1.779 -7.922 -3.647 1.00 0.00 C ATOM 1203 CD ARG A 81 0.982 -8.578 -4.784 1.00 0.00 C ATOM 1204 NE ARG A 81 1.141 -7.866 -6.049 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.395 -8.085 -7.129 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.603 -8.964 -7.095 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.646 -7.410 -8.242 1.00 0.00 N ATOM 0 H ARG A 81 0.559 -4.204 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 81 1.564 -6.741 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.218 -6.463 -3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.731 -5.835 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.838 -7.907 -3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.681 -8.520 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.309 -9.611 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.074 -8.608 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 81 1.870 -7.155 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.802 -9.477 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.169 -9.125 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.406 -6.730 -8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.080 -7.571 -9.075 1.00 0.00 H new ATOM 1221 N VAL A 82 3.979 -6.064 -1.256 1.00 0.00 N ATOM 1222 CA VAL A 82 5.373 -5.630 -1.261 1.00 0.00 C ATOM 1223 C VAL A 82 6.334 -6.797 -1.485 1.00 0.00 C ATOM 1224 O VAL A 82 6.134 -7.905 -0.977 1.00 0.00 O ATOM 1225 CB VAL A 82 5.768 -4.876 0.033 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.131 -5.843 1.151 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.916 -3.919 -0.249 1.00 0.00 C ATOM 0 H VAL A 82 3.779 -6.869 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 82 5.459 -4.936 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 82 4.905 -4.300 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.403 -5.281 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.276 -6.482 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.974 -6.459 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.186 -3.394 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.777 -4.480 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.609 -3.196 -1.005 1.00 0.00 H new ATOM 1237 N ASN A 83 7.361 -6.523 -2.274 1.00 0.00 N ATOM 1238 CA ASN A 83 8.410 -7.494 -2.557 1.00 0.00 C ATOM 1239 C ASN A 83 9.788 -6.873 -2.391 1.00 0.00 C ATOM 1240 O ASN A 83 9.997 -5.698 -2.702 1.00 0.00 O ATOM 1241 CB ASN A 83 8.254 -8.058 -3.974 1.00 0.00 C ATOM 1242 CG ASN A 83 9.170 -9.239 -4.235 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.512 -9.992 -3.322 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.568 -9.412 -5.484 1.00 0.00 N ATOM 0 H ASN A 83 7.492 -5.623 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 83 8.312 -8.310 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.219 -8.364 -4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.465 -7.272 -4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.181 -10.192 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.262 -8.765 -6.211 1.00 0.00 H new ATOM 1251 N HIS A 84 10.710 -7.674 -1.879 1.00 0.00 N ATOM 1252 CA HIS A 84 12.098 -7.277 -1.727 1.00 0.00 C ATOM 1253 C HIS A 84 12.984 -8.459 -2.093 1.00 0.00 C ATOM 1254 O HIS A 84 12.504 -9.597 -2.110 1.00 0.00 O ATOM 1255 CB HIS A 84 12.385 -6.815 -0.285 1.00 0.00 C ATOM 1256 CG HIS A 84 13.765 -6.263 -0.066 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.801 -7.082 0.315 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.220 -4.990 -0.148 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.852 -6.296 0.457 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.548 -5.023 0.189 1.00 0.00 N ATOM 0 H HIS A 84 10.514 -8.622 -1.556 1.00 0.00 H new ATOM 0 HA HIS A 84 12.308 -6.436 -2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.656 -6.053 -0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.234 -7.658 0.389 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.647 -4.118 -0.425 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.833 -6.638 0.752 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.184 -4.226 0.228 1.00 0.00 H new ATOM 1268 N VAL A 85 14.249 -8.195 -2.395 1.00 0.00 N ATOM 1269 CA VAL A 85 15.201 -9.252 -2.757 1.00 0.00 C ATOM 1270 C VAL A 85 15.128 -10.434 -1.780 1.00 0.00 C ATOM 1271 O VAL A 85 15.174 -11.597 -2.194 1.00 0.00 O ATOM 1272 CB VAL A 85 16.655 -8.719 -2.795 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.629 -9.809 -3.232 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.762 -7.509 -3.714 1.00 0.00 C ATOM 0 H VAL A 85 14.646 -7.256 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 85 14.920 -9.593 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 85 16.924 -8.411 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.642 -9.406 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.582 -10.642 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.360 -10.159 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.791 -7.151 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.465 -7.792 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.107 -6.717 -3.351 1.00 0.00 H new ATOM 1284 N THR A 86 14.963 -10.136 -0.494 1.00 0.00 N ATOM 1285 CA THR A 86 14.964 -11.186 0.529 1.00 0.00 C ATOM 1286 C THR A 86 13.714 -12.066 0.422 1.00 0.00 C ATOM 1287 O THR A 86 13.830 -13.289 0.358 1.00 0.00 O ATOM 1288 CB THR A 86 15.102 -10.606 1.969 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.959 -11.637 2.956 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.078 -9.508 2.232 1.00 0.00 C ATOM 0 H THR A 86 14.828 -9.191 -0.135 1.00 0.00 H new ATOM 0 HA THR A 86 15.841 -11.805 0.341 1.00 0.00 H new ATOM 0 HB THR A 86 16.101 -10.176 2.043 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.051 -11.248 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.205 -9.128 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.224 -8.696 1.519 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.073 -9.914 2.120 1.00 0.00 H new ATOM 1298 N LEU A 87 12.526 -11.456 0.406 1.00 0.00 N ATOM 1299 CA LEU A 87 11.281 -12.224 0.289 1.00 0.00 C ATOM 1300 C LEU A 87 11.274 -13.077 -0.971 1.00 0.00 C ATOM 1301 O LEU A 87 10.930 -14.258 -0.923 1.00 0.00 O ATOM 1302 CB LEU A 87 10.040 -11.323 0.259 1.00 0.00 C ATOM 1303 CG LEU A 87 9.983 -10.226 1.321 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.913 -9.203 0.975 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.724 -10.825 2.695 1.00 0.00 C ATOM 0 H LEU A 87 12.399 -10.446 0.472 1.00 0.00 H new ATOM 0 HA LEU A 87 11.241 -12.858 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.980 -10.854 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.156 -11.952 0.367 1.00 0.00 H new ATOM 0 HG LEU A 87 10.948 -9.720 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.887 -8.430 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.142 -8.749 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.942 -9.695 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.687 -10.028 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.773 -11.358 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.526 -11.519 2.947 1.00 0.00 H new ATOM 1317 N SER A 88 11.633 -12.451 -2.099 1.00 0.00 N ATOM 1318 CA SER A 88 11.612 -13.093 -3.420 1.00 0.00 C ATOM 1319 C SER A 88 10.175 -13.265 -3.926 1.00 0.00 C ATOM 1320 O SER A 88 9.922 -13.245 -5.131 1.00 0.00 O ATOM 1321 CB SER A 88 12.335 -14.445 -3.388 1.00 0.00 C ATOM 1322 OG SER A 88 13.640 -14.312 -2.844 1.00 0.00 O ATOM 0 H SER A 88 11.948 -11.481 -2.121 1.00 0.00 H new ATOM 0 HA SER A 88 12.142 -12.439 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.760 -15.155 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.398 -14.852 -4.397 1.00 0.00 H new ATOM 0 HG SER A 88 13.891 -13.365 -2.824 1.00 0.00 H new ATOM 1328 N GLN A 89 9.247 -13.424 -2.994 1.00 0.00 N ATOM 1329 CA GLN A 89 7.830 -13.531 -3.308 1.00 0.00 C ATOM 1330 C GLN A 89 7.053 -12.515 -2.468 1.00 0.00 C ATOM 1331 O GLN A 89 7.113 -12.559 -1.237 1.00 0.00 O ATOM 1332 CB GLN A 89 7.311 -14.968 -3.058 1.00 0.00 C ATOM 1333 CG GLN A 89 7.401 -15.460 -1.609 1.00 0.00 C ATOM 1334 CD GLN A 89 6.807 -16.841 -1.435 1.00 0.00 C ATOM 1335 OE1 GLN A 89 7.504 -17.849 -1.558 1.00 0.00 O ATOM 1336 NE2 GLN A 89 5.518 -16.900 -1.146 1.00 0.00 N ATOM 0 H GLN A 89 9.456 -13.483 -1.997 1.00 0.00 H new ATOM 0 HA GLN A 89 7.681 -13.313 -4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.270 -15.020 -3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.873 -15.654 -3.692 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.445 -15.474 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.882 -14.758 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.976 -16.041 -1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.065 -17.805 -1.016 1.00 0.00 H new ATOM 1345 N PRO A 90 6.353 -11.548 -3.099 1.00 0.00 N ATOM 1346 CA PRO A 90 5.620 -10.526 -2.349 1.00 0.00 C ATOM 1347 C PRO A 90 4.422 -11.081 -1.595 1.00 0.00 C ATOM 1348 O PRO A 90 3.877 -12.134 -1.940 1.00 0.00 O ATOM 1349 CB PRO A 90 5.137 -9.540 -3.404 1.00 0.00 C ATOM 1350 CG PRO A 90 5.127 -10.314 -4.682 1.00 0.00 C ATOM 1351 CD PRO A 90 6.242 -11.348 -4.562 1.00 0.00 C ATOM 0 HA PRO A 90 6.266 -10.082 -1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.143 -9.161 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.800 -8.677 -3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.163 -10.798 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.295 -9.658 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.991 -12.275 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.176 -10.987 -4.992 1.00 0.00 H new ATOM 1359 N LYS A 91 4.014 -10.356 -0.568 1.00 0.00 N ATOM 1360 CA LYS A 91 2.867 -10.741 0.232 1.00 0.00 C ATOM 1361 C LYS A 91 1.828 -9.608 0.280 1.00 0.00 C ATOM 1362 O LYS A 91 2.154 -8.442 0.051 1.00 0.00 O ATOM 1363 CB LYS A 91 3.289 -11.189 1.650 1.00 0.00 C ATOM 1364 CG LYS A 91 4.749 -10.963 2.011 1.00 0.00 C ATOM 1365 CD LYS A 91 5.614 -12.099 1.476 1.00 0.00 C ATOM 1366 CE LYS A 91 5.495 -13.381 2.304 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.169 -14.049 2.166 1.00 0.00 N ATOM 0 H LYS A 91 4.465 -9.492 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 91 2.398 -11.601 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.670 -10.662 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.069 -12.251 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.089 -10.014 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.856 -10.896 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.329 -12.311 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.656 -11.779 1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.278 -14.076 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.668 -13.145 3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.280 -15.074 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.514 -13.671 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.787 -13.868 1.216 1.00 0.00 H new ATOM 1381 N ILE A 92 0.583 -9.985 0.568 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.532 -9.047 0.599 1.00 0.00 C ATOM 1383 C ILE A 92 -0.961 -8.740 2.031 1.00 0.00 C ATOM 1384 O ILE A 92 -1.078 -9.635 2.869 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.748 -9.540 -0.248 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.751 -8.862 -1.620 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.074 -9.295 0.452 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.465 -7.385 -1.551 1.00 0.00 C ATOM 0 H ILE A 92 0.322 -10.947 0.785 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.173 -8.124 0.143 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.635 -10.617 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.007 -9.341 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.721 -9.016 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.889 -9.655 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.087 -9.827 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.199 -8.227 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.481 -6.964 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.224 -6.896 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.483 -7.225 -1.107 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.172 -7.458 2.301 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.723 -7.008 3.568 1.00 0.00 C ATOM 1402 C VAL A 93 -3.073 -6.363 3.299 1.00 0.00 C ATOM 1403 O VAL A 93 -3.160 -5.397 2.541 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.792 -5.994 4.278 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.476 -4.794 3.402 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.396 -5.542 5.596 1.00 0.00 C ATOM 0 H VAL A 93 -0.965 -6.703 1.647 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.826 -7.869 4.229 1.00 0.00 H new ATOM 0 HB VAL A 93 0.148 -6.509 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.179 -4.111 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.021 -5.129 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.401 -4.279 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.726 -4.830 6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.359 -5.066 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.537 -6.405 6.246 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.130 -6.900 3.871 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.449 -6.393 3.580 1.00 0.00 C ATOM 1418 C LYS A 94 -5.994 -5.608 4.757 1.00 0.00 C ATOM 1419 O LYS A 94 -5.773 -5.963 5.917 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.382 -7.531 3.204 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.852 -8.349 2.050 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.499 -9.716 1.982 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.025 -10.649 3.085 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.500 -12.036 2.854 1.00 0.00 N ATOM 0 H LYS A 94 -4.101 -7.677 4.531 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.380 -5.715 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.528 -8.179 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.359 -7.125 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.030 -7.816 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.773 -8.463 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.581 -9.604 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.283 -10.167 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.936 -10.638 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.389 -10.292 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.162 -12.651 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.540 -12.048 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.132 -12.382 1.945 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.700 -4.539 4.441 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.179 -3.608 5.451 1.00 0.00 C ATOM 1440 C TRP A 95 -8.393 -4.181 6.179 1.00 0.00 C ATOM 1441 O TRP A 95 -9.347 -4.652 5.555 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.486 -2.242 4.797 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.025 -1.177 5.724 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.517 -0.790 6.939 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.167 -0.326 5.485 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.277 0.216 7.471 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.294 0.520 6.608 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.101 -0.196 4.438 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.304 1.466 6.721 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.100 0.751 4.549 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.202 1.570 5.682 1.00 0.00 C ATOM 0 H TRP A 95 -6.957 -4.291 3.486 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.402 -3.455 6.200 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.572 -1.867 4.336 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.207 -2.398 3.995 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.643 -1.218 7.408 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.111 0.668 8.370 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.037 -0.826 3.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.383 2.098 7.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.816 0.863 3.748 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.999 2.296 5.741 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.333 -4.137 7.507 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.410 -4.687 8.360 1.00 0.00 C ATOM 1464 C ASP A 96 -10.677 -3.854 8.176 1.00 0.00 C ATOM 1465 O ASP A 96 -10.790 -2.752 8.721 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.004 -4.741 9.868 1.00 0.00 C ATOM 1467 CG ASP A 96 -10.188 -4.646 10.819 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -11.016 -5.580 10.850 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -10.275 -3.650 11.567 1.00 0.00 O ATOM 0 H ASP A 96 -7.555 -3.729 8.026 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.594 -5.715 8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.469 -5.671 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.312 -3.926 10.079 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.604 -4.357 7.358 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.887 -3.687 7.169 1.00 0.00 C ATOM 1476 C ARG A 97 -13.900 -4.626 6.499 1.00 0.00 C ATOM 1477 O ARG A 97 -15.099 -4.347 6.490 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.681 -2.393 6.344 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.780 -2.570 4.816 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.220 -2.505 4.307 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.335 -2.906 2.912 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.466 -3.362 2.382 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.591 -3.336 3.088 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -15.481 -3.836 1.150 1.00 0.00 N ATOM 0 H ARG A 97 -11.490 -5.217 6.822 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.295 -3.415 8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.422 -1.658 6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.701 -1.980 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.190 -1.795 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.343 -3.529 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.849 -3.150 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.598 -1.489 4.422 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.511 -2.834 2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.588 -2.966 4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.458 -3.686 2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.622 -3.854 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.351 -4.185 0.748 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.413 -5.756 5.986 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.251 -6.683 5.195 1.00 0.00 C ATOM 1500 C ASP A 98 -13.486 -7.943 4.764 1.00 0.00 C ATOM 1501 O ASP A 98 -14.055 -8.815 4.114 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.745 -5.993 3.933 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.936 -6.693 3.296 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.994 -6.783 3.952 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -15.828 -7.127 2.130 1.00 0.00 O ATOM 0 H ASP A 98 -12.446 -6.059 6.099 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.080 -6.974 5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.020 -4.966 4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.931 -5.945 3.210 1.00 0.00 H new ATOM 1510 N MET A 99 -12.207 -8.041 5.128 1.00 0.00 N ATOM 1511 CA MET A 99 -11.335 -9.128 4.639 1.00 0.00 C ATOM 1512 C MET A 99 -11.917 -10.519 4.909 1.00 0.00 C ATOM 1513 CB MET A 99 -9.912 -9.042 5.226 1.00 0.00 C ATOM 1514 CG MET A 99 -9.796 -8.345 6.592 1.00 0.00 C ATOM 1515 SD MET A 99 -11.059 -8.845 7.775 1.00 0.00 S ATOM 1516 CE MET A 99 -10.365 -8.205 9.292 1.00 0.00 C ATOM 0 H MET A 99 -11.745 -7.386 5.759 1.00 0.00 H new ATOM 0 HA MET A 99 -11.277 -8.987 3.560 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.516 -10.053 5.320 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.276 -8.515 4.514 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.813 -8.555 7.014 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.856 -7.267 6.445 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.086 -9.034 9.943 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.481 -7.609 9.065 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.104 -7.581 9.795 1.00 0.00 H new TER 1525 MET A 99