USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 885 hydrogens (23 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 74 SER OG : rot 100:sc= 0.195 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.182 K(o=0.38,f=-0.16) USER MOD Set 2.1: A 67 GLN : amide:sc= -1.72 K(o=-7.1,f=-12!) USER MOD Set 2.2: A 69 HIS : no HD1:sc= -5.33! C(o=-7.1!,f=-7!) USER MOD Set 2.3: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 61 GLN : amide:sc= -0.383 K(o=-0.38,f=0.33) USER MOD Set 3.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 55 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.5!) USER MOD Set 5.1: A 25 GLN : amide:sc= -0.707! C(o=0.5!,f=-4.4!) USER MOD Set 5.2: A 43 THR OG1 : rot -74:sc= 1.2 USER MOD Set 6.1: A 36 SER OG : rot 140:sc= 0.0144 USER MOD Set 6.2: A 60 LYS NZ :NH3+ -171:sc= -0.102 (180deg=-0.338) USER MOD Set 7.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 17 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.036) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0.38 (180deg=0.171) USER MOD Single : A 40 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.33) USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= 0.296 (180deg=-0.268) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 46 MET CE :methyl 148:sc= -3.81! (180deg=-7.31!) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -2.83! (180deg=-4.16!) USER MOD Single : A 52 HIS : no HD1:sc= -4.06! K(o=-4.1!,f=-3.5) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.194 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.71) USER MOD Single : A 72 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-1.7) USER MOD Single : A 73 CYS SG : rot -129:sc= 0.172 USER MOD Single : A 75 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.904 K(o=-0.9,f=-0.16) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -116:sc= -6.12 (180deg=-14.4!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -2.45 X(o=-2.4,f=-2!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -3.66 K(o=-3.7,f=-6!) USER MOD Single : A 109 LYS NZ :NH3+ -158:sc= -0.026 (180deg=-0.185) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0425 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.0654 X(o=-0.065,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 13 -18.032 14.505 4.659 1.00 1.00 N ATOM 2 CA ASN A 13 -16.751 14.655 3.921 1.00 1.00 C ATOM 3 C ASN A 13 -16.045 15.953 4.300 1.00 1.00 C ATOM 4 O ASN A 13 -15.324 16.539 3.492 1.00 1.00 O ATOM 5 CB ASN A 13 -17.047 14.632 2.419 1.00 1.00 C ATOM 6 CG ASN A 13 -16.679 13.308 1.777 1.00 1.00 C ATOM 7 OD1 ASN A 13 -15.793 13.243 0.925 1.00 1.00 O ATOM 8 ND2 ASN A 13 -17.360 12.243 2.185 1.00 1.00 N ATOM 0 HA ASN A 13 -16.087 13.832 4.185 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -18.107 14.829 2.257 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -16.495 15.435 1.930 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -17.156 11.325 1.789 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -18.086 12.343 2.894 1.00 1.00 H new ATOM 17 N HIS A 14 -16.257 16.398 5.534 1.00 1.00 N ATOM 18 CA HIS A 14 -15.641 17.627 6.020 1.00 1.00 C ATOM 19 C HIS A 14 -14.561 17.322 7.054 1.00 1.00 C ATOM 20 O HIS A 14 -14.675 16.365 7.820 1.00 1.00 O ATOM 21 CB HIS A 14 -16.703 18.548 6.627 1.00 1.00 C ATOM 22 CG HIS A 14 -16.646 19.951 6.106 1.00 1.00 C ATOM 23 ND1 HIS A 14 -17.770 20.675 5.769 1.00 1.00 N ATOM 24 CD2 HIS A 14 -15.590 20.765 5.866 1.00 1.00 C ATOM 25 CE1 HIS A 14 -17.409 21.873 5.343 1.00 1.00 C ATOM 26 NE2 HIS A 14 -16.092 21.953 5.393 1.00 1.00 N ATOM 0 H HIS A 14 -16.851 15.926 6.216 1.00 1.00 H new ATOM 0 HA HIS A 14 -15.174 18.131 5.174 1.00 1.00 H new ATOM 0 HB2 HIS A 14 -17.691 18.134 6.424 1.00 1.00 H new ATOM 0 HB3 HIS A 14 -16.581 18.566 7.710 1.00 1.00 H new ATOM 0 HD2 HIS A 14 -14.548 20.525 6.018 1.00 1.00 H new ATOM 0 HE1 HIS A 14 -18.077 22.653 5.011 1.00 1.00 H new ATOM 0 HE2 HIS A 14 -15.537 22.765 5.124 1.00 1.00 H new ATOM 35 N ILE A 15 -13.515 18.141 7.070 1.00 1.00 N ATOM 36 CA ILE A 15 -12.416 17.958 8.010 1.00 1.00 C ATOM 37 C ILE A 15 -12.467 19.009 9.119 1.00 1.00 C ATOM 38 O ILE A 15 -13.127 20.039 8.975 1.00 1.00 O ATOM 39 CB ILE A 15 -11.050 18.041 7.297 1.00 1.00 C ATOM 40 CG1 ILE A 15 -11.031 17.125 6.071 1.00 1.00 C ATOM 41 CG2 ILE A 15 -9.926 17.674 8.255 1.00 1.00 C ATOM 42 CD1 ILE A 15 -10.374 17.752 4.860 1.00 1.00 C ATOM 0 H ILE A 15 -13.405 18.938 6.443 1.00 1.00 H new ATOM 0 HA ILE A 15 -12.528 16.966 8.447 1.00 1.00 H new ATOM 0 HB ILE A 15 -10.896 19.067 6.963 1.00 1.00 H new ATOM 0 HG12 ILE A 15 -10.506 16.204 6.323 1.00 1.00 H new ATOM 0 HG13 ILE A 15 -12.055 16.849 5.817 1.00 1.00 H new ATOM 0 HG21 ILE A 15 -8.970 17.738 7.736 1.00 1.00 H new ATOM 0 HG22 ILE A 15 -9.927 18.364 9.099 1.00 1.00 H new ATOM 0 HG23 ILE A 15 -10.075 16.657 8.618 1.00 1.00 H new ATOM 0 HD11 ILE A 15 -10.396 17.047 4.029 1.00 1.00 H new ATOM 0 HD12 ILE A 15 -10.913 18.658 4.582 1.00 1.00 H new ATOM 0 HD13 ILE A 15 -9.340 18.003 5.096 1.00 1.00 H new ATOM 54 N SER A 16 -11.770 18.750 10.224 1.00 1.00 N ATOM 55 CA SER A 16 -11.748 19.682 11.345 1.00 1.00 C ATOM 56 C SER A 16 -10.614 19.347 12.310 1.00 1.00 C ATOM 57 O SER A 16 -9.665 20.116 12.458 1.00 1.00 O ATOM 58 CB SER A 16 -13.087 19.655 12.085 1.00 1.00 C ATOM 59 OG SER A 16 -13.106 20.601 13.140 1.00 1.00 O ATOM 0 H SER A 16 -11.216 17.905 10.365 1.00 1.00 H new ATOM 0 HA SER A 16 -11.580 20.683 10.948 1.00 1.00 H new ATOM 0 HB2 SER A 16 -13.896 19.868 11.387 1.00 1.00 H new ATOM 0 HB3 SER A 16 -13.265 18.657 12.484 1.00 1.00 H new ATOM 0 HG SER A 16 -13.973 20.565 13.596 1.00 1.00 H new ATOM 65 N THR A 17 -10.721 18.194 12.963 1.00 1.00 N ATOM 66 CA THR A 17 -9.704 17.759 13.914 1.00 1.00 C ATOM 67 C THR A 17 -9.632 16.236 13.976 1.00 1.00 C ATOM 68 O THR A 17 -8.705 15.627 13.443 1.00 1.00 O ATOM 69 CB THR A 17 -10.001 18.324 15.304 1.00 1.00 C ATOM 70 OG1 THR A 17 -11.398 18.423 15.517 1.00 1.00 O ATOM 71 CG2 THR A 17 -9.403 19.695 15.533 1.00 1.00 C ATOM 0 H THR A 17 -11.500 17.545 12.851 1.00 1.00 H new ATOM 0 HA THR A 17 -8.740 18.137 13.574 1.00 1.00 H new ATOM 0 HB THR A 17 -9.544 17.625 16.004 1.00 1.00 H new ATOM 0 HG1 THR A 17 -11.568 18.785 16.412 1.00 1.00 H new ATOM 0 HG21 THR A 17 -9.651 20.037 16.538 1.00 1.00 H new ATOM 0 HG22 THR A 17 -8.320 19.642 15.425 1.00 1.00 H new ATOM 0 HG23 THR A 17 -9.807 20.395 14.801 1.00 1.00 H new ATOM 79 N SER A 18 -10.615 15.628 14.632 1.00 1.00 N ATOM 80 CA SER A 18 -10.663 14.176 14.765 1.00 1.00 C ATOM 81 C SER A 18 -10.704 13.503 13.397 1.00 1.00 C ATOM 82 O SER A 18 -11.489 13.885 12.529 1.00 1.00 O ATOM 83 CB SER A 18 -11.882 13.758 15.589 1.00 1.00 C ATOM 84 OG SER A 18 -12.113 12.364 15.488 1.00 1.00 O ATOM 0 H SER A 18 -11.389 16.118 15.080 1.00 1.00 H new ATOM 0 HA SER A 18 -9.757 13.855 15.280 1.00 1.00 H new ATOM 0 HB2 SER A 18 -11.729 14.030 16.634 1.00 1.00 H new ATOM 0 HB3 SER A 18 -12.762 14.301 15.244 1.00 1.00 H new ATOM 0 HG SER A 18 -12.896 12.122 16.025 1.00 1.00 H new ATOM 90 N ASP A 19 -9.854 12.497 13.211 1.00 1.00 N ATOM 91 CA ASP A 19 -9.792 11.769 11.948 1.00 1.00 C ATOM 92 C ASP A 19 -8.746 10.661 12.010 1.00 1.00 C ATOM 93 O ASP A 19 -7.801 10.729 12.796 1.00 1.00 O ATOM 94 CB ASP A 19 -9.470 12.726 10.798 1.00 1.00 C ATOM 95 CG ASP A 19 -10.173 12.341 9.511 1.00 1.00 C ATOM 96 OD1 ASP A 19 -11.407 12.150 9.542 1.00 1.00 O ATOM 97 OD2 ASP A 19 -9.489 12.229 8.472 1.00 1.00 O ATOM 0 H ASP A 19 -9.198 12.167 13.920 1.00 1.00 H new ATOM 0 HA ASP A 19 -10.767 11.315 11.771 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -9.761 13.738 11.079 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -8.393 12.739 10.631 1.00 1.00 H new ATOM 102 N GLN A 20 -8.919 9.642 11.173 1.00 1.00 N ATOM 103 CA GLN A 20 -7.987 8.520 11.130 1.00 1.00 C ATOM 104 C GLN A 20 -6.574 9.003 10.815 1.00 1.00 C ATOM 105 O GLN A 20 -6.384 10.123 10.341 1.00 1.00 O ATOM 106 CB GLN A 20 -8.437 7.498 10.085 1.00 1.00 C ATOM 107 CG GLN A 20 -9.722 6.774 10.456 1.00 1.00 C ATOM 108 CD GLN A 20 -10.403 6.144 9.258 1.00 1.00 C ATOM 109 OE1 GLN A 20 -10.692 4.947 9.252 1.00 1.00 O ATOM 110 NE2 GLN A 20 -10.663 6.948 8.233 1.00 1.00 N ATOM 0 H GLN A 20 -9.696 9.570 10.516 1.00 1.00 H new ATOM 0 HA GLN A 20 -7.979 8.044 12.111 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -8.578 8.005 9.130 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -7.644 6.764 9.942 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -9.500 6.001 11.191 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -10.407 7.477 10.930 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -10.406 7.934 8.280 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -11.119 6.579 7.399 1.00 1.00 H new ATOM 119 N GLU A 21 -5.584 8.157 11.083 1.00 1.00 N ATOM 120 CA GLU A 21 -4.192 8.511 10.827 1.00 1.00 C ATOM 121 C GLU A 21 -3.409 7.324 10.282 1.00 1.00 C ATOM 122 O GLU A 21 -3.925 6.210 10.205 1.00 1.00 O ATOM 123 CB GLU A 21 -3.531 9.028 12.106 1.00 1.00 C ATOM 124 CG GLU A 21 -4.283 10.177 12.757 1.00 1.00 C ATOM 125 CD GLU A 21 -3.509 10.805 13.900 1.00 1.00 C ATOM 126 OE1 GLU A 21 -2.419 11.358 13.645 1.00 1.00 O ATOM 127 OE2 GLU A 21 -3.994 10.745 15.049 1.00 1.00 O ATOM 0 H GLU A 21 -5.719 7.225 11.476 1.00 1.00 H new ATOM 0 HA GLU A 21 -4.183 9.299 10.074 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -3.448 8.208 12.819 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -2.517 9.353 11.875 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -4.497 10.938 12.007 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -5.242 9.815 13.128 1.00 1.00 H new ATOM 134 N LYS A 22 -2.159 7.581 9.897 1.00 1.00 N ATOM 135 CA LYS A 22 -1.287 6.545 9.346 1.00 1.00 C ATOM 136 C LYS A 22 -1.752 6.105 7.959 1.00 1.00 C ATOM 137 O LYS A 22 -1.205 5.164 7.383 1.00 1.00 O ATOM 138 CB LYS A 22 -1.237 5.337 10.280 1.00 1.00 C ATOM 139 CG LYS A 22 -0.795 5.676 11.694 1.00 1.00 C ATOM 140 CD LYS A 22 0.668 5.327 11.919 1.00 1.00 C ATOM 141 CE LYS A 22 1.023 5.327 13.398 1.00 1.00 C ATOM 142 NZ LYS A 22 1.590 4.021 13.833 1.00 1.00 N ATOM 0 H LYS A 22 -1.726 8.503 9.957 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.288 6.971 9.254 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -2.224 4.877 10.318 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -0.556 4.595 9.864 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -0.949 6.739 11.880 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -1.414 5.134 12.410 1.00 1.00 H new ATOM 0 HD2 LYS A 22 0.878 4.345 11.494 1.00 1.00 H new ATOM 0 HD3 LYS A 22 1.299 6.044 11.393 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.743 6.120 13.598 1.00 1.00 H new ATOM 0 HE3 LYS A 22 0.132 5.550 13.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.819 4.062 14.847 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 0.893 3.267 13.666 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.455 3.820 13.291 1.00 1.00 H new ATOM 156 N LEU A 23 -2.763 6.785 7.427 1.00 1.00 N ATOM 157 CA LEU A 23 -3.298 6.457 6.111 1.00 1.00 C ATOM 158 C LEU A 23 -2.420 7.023 5.002 1.00 1.00 C ATOM 159 O LEU A 23 -2.172 8.228 4.944 1.00 1.00 O ATOM 160 CB LEU A 23 -4.721 7.001 5.950 1.00 1.00 C ATOM 161 CG LEU A 23 -5.596 6.953 7.206 1.00 1.00 C ATOM 162 CD1 LEU A 23 -6.342 8.267 7.380 1.00 1.00 C ATOM 163 CD2 LEU A 23 -6.576 5.789 7.132 1.00 1.00 C ATOM 0 H LEU A 23 -3.228 7.567 7.888 1.00 1.00 H new ATOM 0 HA LEU A 23 -3.314 5.370 6.031 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -4.659 8.035 5.612 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -5.219 6.437 5.161 1.00 1.00 H new ATOM 0 HG LEU A 23 -4.951 6.802 8.071 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -6.960 8.219 8.277 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -5.625 9.082 7.477 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -6.976 8.443 6.511 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -7.189 5.771 8.033 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -7.218 5.909 6.259 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -6.024 4.853 7.051 1.00 1.00 H new ATOM 175 N VAL A 24 -1.970 6.151 4.108 1.00 1.00 N ATOM 176 CA VAL A 24 -1.144 6.573 2.987 1.00 1.00 C ATOM 177 C VAL A 24 -1.986 6.638 1.718 1.00 1.00 C ATOM 178 O VAL A 24 -3.084 6.085 1.670 1.00 1.00 O ATOM 179 CB VAL A 24 0.056 5.632 2.767 1.00 1.00 C ATOM 180 CG1 VAL A 24 1.158 5.938 3.769 1.00 1.00 C ATOM 181 CG2 VAL A 24 -0.374 4.176 2.863 1.00 1.00 C ATOM 0 H VAL A 24 -2.163 5.150 4.138 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.751 7.562 3.223 1.00 1.00 H new ATOM 0 HB VAL A 24 0.447 5.800 1.763 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.999 5.265 3.601 1.00 1.00 H new ATOM 0 HG12 VAL A 24 1.488 6.969 3.644 1.00 1.00 H new ATOM 0 HG13 VAL A 24 0.778 5.799 4.781 1.00 1.00 H new ATOM 0 HG21 VAL A 24 0.490 3.530 2.704 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -0.793 3.985 3.851 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -1.127 3.968 2.103 1.00 1.00 H new ATOM 191 N GLN A 25 -1.485 7.325 0.697 1.00 1.00 N ATOM 192 CA GLN A 25 -2.224 7.462 -0.551 1.00 1.00 C ATOM 193 C GLN A 25 -1.529 6.737 -1.703 1.00 1.00 C ATOM 194 O GLN A 25 -0.631 7.283 -2.341 1.00 1.00 O ATOM 195 CB GLN A 25 -2.399 8.943 -0.891 1.00 1.00 C ATOM 196 CG GLN A 25 -3.383 9.197 -2.019 1.00 1.00 C ATOM 197 CD GLN A 25 -4.792 9.445 -1.518 1.00 1.00 C ATOM 198 OE1 GLN A 25 -5.339 8.654 -0.750 1.00 1.00 O ATOM 199 NE2 GLN A 25 -5.388 10.550 -1.951 1.00 1.00 N ATOM 0 H GLN A 25 -0.578 7.792 0.709 1.00 1.00 H new ATOM 0 HA GLN A 25 -3.202 7.001 -0.413 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -2.735 9.474 -0.001 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -1.430 9.361 -1.164 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -3.051 10.058 -2.599 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -3.386 8.340 -2.693 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -4.897 11.178 -2.587 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -6.336 10.770 -1.647 1.00 1.00 H new ATOM 208 N PRO A 26 -1.942 5.489 -1.990 1.00 1.00 N ATOM 209 CA PRO A 26 -1.360 4.692 -3.077 1.00 1.00 C ATOM 210 C PRO A 26 -1.610 5.319 -4.444 1.00 1.00 C ATOM 211 O PRO A 26 -2.729 5.727 -4.752 1.00 1.00 O ATOM 212 CB PRO A 26 -2.094 3.347 -2.978 1.00 1.00 C ATOM 213 CG PRO A 26 -2.685 3.326 -1.610 1.00 1.00 C ATOM 214 CD PRO A 26 -3.004 4.755 -1.285 1.00 1.00 C ATOM 0 HA PRO A 26 -0.277 4.611 -2.981 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -2.866 3.262 -3.742 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -1.408 2.512 -3.124 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -3.582 2.708 -1.580 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -1.985 2.907 -0.887 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -3.996 5.039 -1.637 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -2.982 4.941 -0.211 1.00 1.00 H new ATOM 222 N THR A 27 -0.567 5.385 -5.266 1.00 1.00 N ATOM 223 CA THR A 27 -0.689 5.953 -6.604 1.00 1.00 C ATOM 224 C THR A 27 -1.859 5.315 -7.351 1.00 1.00 C ATOM 225 O THR A 27 -2.321 4.235 -6.984 1.00 1.00 O ATOM 226 CB THR A 27 0.608 5.748 -7.389 1.00 1.00 C ATOM 227 OG1 THR A 27 1.153 4.467 -7.129 1.00 1.00 O ATOM 228 CG2 THR A 27 1.672 6.774 -7.064 1.00 1.00 C ATOM 0 H THR A 27 0.368 5.054 -5.030 1.00 1.00 H new ATOM 0 HA THR A 27 -0.877 7.022 -6.508 1.00 1.00 H new ATOM 0 HB THR A 27 0.332 5.855 -8.438 1.00 1.00 H new ATOM 0 HG1 THR A 27 1.981 4.354 -7.641 1.00 1.00 H new ATOM 0 HG21 THR A 27 2.565 6.571 -7.655 1.00 1.00 H new ATOM 0 HG22 THR A 27 1.300 7.771 -7.299 1.00 1.00 H new ATOM 0 HG23 THR A 27 1.918 6.720 -6.004 1.00 1.00 H new ATOM 236 N PRO A 28 -2.358 5.973 -8.411 1.00 1.00 N ATOM 237 CA PRO A 28 -3.479 5.462 -9.201 1.00 1.00 C ATOM 238 C PRO A 28 -3.308 3.990 -9.564 1.00 1.00 C ATOM 239 O PRO A 28 -4.288 3.261 -9.717 1.00 1.00 O ATOM 240 CB PRO A 28 -3.474 6.336 -10.467 1.00 1.00 C ATOM 241 CG PRO A 28 -2.245 7.185 -10.379 1.00 1.00 C ATOM 242 CD PRO A 28 -1.880 7.259 -8.924 1.00 1.00 C ATOM 0 HA PRO A 28 -4.416 5.513 -8.647 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -3.459 5.720 -11.366 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -4.371 6.953 -10.519 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -1.432 6.752 -10.961 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -2.431 8.180 -10.783 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -0.806 7.379 -8.781 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -2.364 8.099 -8.427 1.00 1.00 H new ATOM 250 N LEU A 29 -2.058 3.556 -9.691 1.00 1.00 N ATOM 251 CA LEU A 29 -1.765 2.167 -10.026 1.00 1.00 C ATOM 252 C LEU A 29 -1.969 1.271 -8.809 1.00 1.00 C ATOM 253 O LEU A 29 -2.765 0.331 -8.842 1.00 1.00 O ATOM 254 CB LEU A 29 -0.331 2.033 -10.547 1.00 1.00 C ATOM 255 CG LEU A 29 0.062 0.634 -11.033 1.00 1.00 C ATOM 256 CD1 LEU A 29 -1.049 0.022 -11.875 1.00 1.00 C ATOM 257 CD2 LEU A 29 1.359 0.694 -11.826 1.00 1.00 C ATOM 0 H LEU A 29 -1.234 4.144 -9.567 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.452 1.850 -10.811 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -0.193 2.737 -11.368 1.00 1.00 H new ATOM 0 HB3 LEU A 29 0.355 2.330 -9.754 1.00 1.00 H new ATOM 0 HG LEU A 29 0.216 -0.001 -10.160 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -0.748 -0.971 -12.209 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -1.957 -0.056 -11.278 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -1.239 0.654 -12.742 1.00 1.00 H new ATOM 0 HD21 LEU A 29 1.625 -0.307 -12.164 1.00 1.00 H new ATOM 0 HD22 LEU A 29 1.228 1.346 -12.690 1.00 1.00 H new ATOM 0 HD23 LEU A 29 2.155 1.086 -11.193 1.00 1.00 H new ATOM 269 N LEU A 30 -1.256 1.577 -7.727 1.00 1.00 N ATOM 270 CA LEU A 30 -1.374 0.806 -6.495 1.00 1.00 C ATOM 271 C LEU A 30 -2.829 0.766 -6.040 1.00 1.00 C ATOM 272 O LEU A 30 -3.299 -0.234 -5.498 1.00 1.00 O ATOM 273 CB LEU A 30 -0.494 1.413 -5.398 1.00 1.00 C ATOM 274 CG LEU A 30 -0.245 0.513 -4.183 1.00 1.00 C ATOM 275 CD1 LEU A 30 0.110 -0.901 -4.620 1.00 1.00 C ATOM 276 CD2 LEU A 30 0.858 1.093 -3.308 1.00 1.00 C ATOM 0 H LEU A 30 -0.593 2.351 -7.680 1.00 1.00 H new ATOM 0 HA LEU A 30 -1.036 -0.212 -6.687 1.00 1.00 H new ATOM 0 HB2 LEU A 30 0.468 1.681 -5.834 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -0.957 2.338 -5.055 1.00 1.00 H new ATOM 0 HG LEU A 30 -1.164 0.468 -3.599 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.282 -1.521 -3.740 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -0.711 -1.318 -5.203 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.013 -0.877 -5.230 1.00 1.00 H new ATOM 0 HD21 LEU A 30 1.022 0.441 -2.450 1.00 1.00 H new ATOM 0 HD22 LEU A 30 1.779 1.170 -3.886 1.00 1.00 H new ATOM 0 HD23 LEU A 30 0.564 2.083 -2.961 1.00 1.00 H new ATOM 288 N LEU A 31 -3.536 1.866 -6.280 1.00 1.00 N ATOM 289 CA LEU A 31 -4.944 1.981 -5.915 1.00 1.00 C ATOM 290 C LEU A 31 -5.762 0.835 -6.508 1.00 1.00 C ATOM 291 O LEU A 31 -6.368 0.049 -5.779 1.00 1.00 O ATOM 292 CB LEU A 31 -5.502 3.321 -6.401 1.00 1.00 C ATOM 293 CG LEU A 31 -5.641 4.395 -5.322 1.00 1.00 C ATOM 294 CD1 LEU A 31 -6.102 5.709 -5.933 1.00 1.00 C ATOM 295 CD2 LEU A 31 -6.610 3.937 -4.244 1.00 1.00 C ATOM 0 H LEU A 31 -3.153 2.697 -6.730 1.00 1.00 H new ATOM 0 HA LEU A 31 -5.018 1.928 -4.829 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.854 3.702 -7.190 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.481 3.149 -6.848 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.665 4.556 -4.864 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -6.195 6.461 -5.150 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -5.373 6.042 -6.672 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -7.069 5.566 -6.416 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.699 4.711 -3.482 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -7.588 3.751 -4.689 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -6.239 3.020 -3.787 1.00 1.00 H new ATOM 307 N SER A 32 -5.777 0.750 -7.837 1.00 1.00 N ATOM 308 CA SER A 32 -6.523 -0.295 -8.536 1.00 1.00 C ATOM 309 C SER A 32 -6.269 -1.665 -7.917 1.00 1.00 C ATOM 310 O SER A 32 -7.187 -2.476 -7.789 1.00 1.00 O ATOM 311 CB SER A 32 -6.146 -0.315 -10.019 1.00 1.00 C ATOM 312 OG SER A 32 -6.713 -1.435 -10.675 1.00 1.00 O ATOM 0 H SER A 32 -5.280 1.394 -8.453 1.00 1.00 H new ATOM 0 HA SER A 32 -7.585 -0.069 -8.438 1.00 1.00 H new ATOM 0 HB2 SER A 32 -6.489 0.602 -10.497 1.00 1.00 H new ATOM 0 HB3 SER A 32 -5.061 -0.341 -10.121 1.00 1.00 H new ATOM 0 HG SER A 32 -6.458 -1.423 -11.621 1.00 1.00 H new ATOM 318 N LEU A 33 -5.025 -1.920 -7.520 1.00 1.00 N ATOM 319 CA LEU A 33 -4.685 -3.199 -6.901 1.00 1.00 C ATOM 320 C LEU A 33 -5.526 -3.396 -5.646 1.00 1.00 C ATOM 321 O LEU A 33 -6.060 -4.479 -5.405 1.00 1.00 O ATOM 322 CB LEU A 33 -3.193 -3.277 -6.554 1.00 1.00 C ATOM 323 CG LEU A 33 -2.265 -2.430 -7.430 1.00 1.00 C ATOM 324 CD1 LEU A 33 -0.808 -2.744 -7.125 1.00 1.00 C ATOM 325 CD2 LEU A 33 -2.564 -2.662 -8.905 1.00 1.00 C ATOM 0 H LEU A 33 -4.245 -1.269 -7.614 1.00 1.00 H new ATOM 0 HA LEU A 33 -4.900 -3.993 -7.616 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -3.063 -2.971 -5.516 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -2.877 -4.318 -6.621 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.444 -1.379 -7.204 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -0.164 -2.133 -7.757 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -0.601 -2.526 -6.077 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -0.614 -3.798 -7.322 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -1.895 -2.052 -9.512 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -2.414 -3.714 -9.146 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -3.597 -2.386 -9.115 1.00 1.00 H new ATOM 337 N LEU A 34 -5.666 -2.327 -4.867 1.00 1.00 N ATOM 338 CA LEU A 34 -6.473 -2.367 -3.657 1.00 1.00 C ATOM 339 C LEU A 34 -7.941 -2.475 -4.041 1.00 1.00 C ATOM 340 O LEU A 34 -8.713 -3.206 -3.421 1.00 1.00 O ATOM 341 CB LEU A 34 -6.245 -1.109 -2.811 1.00 1.00 C ATOM 342 CG LEU A 34 -4.780 -0.731 -2.594 1.00 1.00 C ATOM 343 CD1 LEU A 34 -4.674 0.525 -1.745 1.00 1.00 C ATOM 344 CD2 LEU A 34 -4.030 -1.880 -1.942 1.00 1.00 C ATOM 0 H LEU A 34 -5.230 -1.424 -5.054 1.00 1.00 H new ATOM 0 HA LEU A 34 -6.181 -3.233 -3.064 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -6.753 -0.272 -3.289 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -6.715 -1.254 -1.838 1.00 1.00 H new ATOM 0 HG LEU A 34 -4.327 -0.528 -3.564 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -3.624 0.779 -1.601 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -5.181 1.348 -2.248 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -5.141 0.350 -0.776 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -2.988 -1.597 -1.794 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -4.484 -2.111 -0.978 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -4.079 -2.758 -2.586 1.00 1.00 H new ATOM 356 N LYS A 35 -8.307 -1.745 -5.090 1.00 1.00 N ATOM 357 CA LYS A 35 -9.671 -1.746 -5.598 1.00 1.00 C ATOM 358 C LYS A 35 -10.133 -3.170 -5.888 1.00 1.00 C ATOM 359 O LYS A 35 -11.258 -3.550 -5.562 1.00 1.00 O ATOM 360 CB LYS A 35 -9.749 -0.895 -6.869 1.00 1.00 C ATOM 361 CG LYS A 35 -9.535 0.592 -6.627 1.00 1.00 C ATOM 362 CD LYS A 35 -10.374 1.101 -5.464 1.00 1.00 C ATOM 363 CE LYS A 35 -10.271 2.611 -5.322 1.00 1.00 C ATOM 364 NZ LYS A 35 -10.898 3.321 -6.471 1.00 1.00 N ATOM 0 H LYS A 35 -7.669 -1.140 -5.608 1.00 1.00 H new ATOM 0 HA LYS A 35 -10.329 -1.320 -4.841 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -9.001 -1.249 -7.579 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -10.724 -1.041 -7.334 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -8.481 0.779 -6.424 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -9.789 1.148 -7.530 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -11.416 0.819 -5.615 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -10.045 0.624 -4.541 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -10.754 2.922 -4.396 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -9.222 2.898 -5.247 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -11.005 4.329 -6.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -10.294 3.221 -7.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -11.833 2.909 -6.665 1.00 1.00 H new ATOM 378 N SER A 36 -9.249 -3.954 -6.493 1.00 1.00 N ATOM 379 CA SER A 36 -9.550 -5.342 -6.821 1.00 1.00 C ATOM 380 C SER A 36 -9.281 -6.254 -5.625 1.00 1.00 C ATOM 381 O SER A 36 -9.806 -7.365 -5.550 1.00 1.00 O ATOM 382 CB SER A 36 -8.718 -5.796 -8.023 1.00 1.00 C ATOM 383 OG SER A 36 -9.549 -6.257 -9.074 1.00 1.00 O ATOM 0 H SER A 36 -8.315 -3.651 -6.767 1.00 1.00 H new ATOM 0 HA SER A 36 -10.608 -5.409 -7.075 1.00 1.00 H new ATOM 0 HB2 SER A 36 -8.104 -4.968 -8.377 1.00 1.00 H new ATOM 0 HB3 SER A 36 -8.037 -6.591 -7.718 1.00 1.00 H new ATOM 0 HG SER A 36 -9.192 -5.948 -9.933 1.00 1.00 H new ATOM 389 N ALA A 37 -8.459 -5.778 -4.691 1.00 1.00 N ATOM 390 CA ALA A 37 -8.121 -6.551 -3.501 1.00 1.00 C ATOM 391 C ALA A 37 -9.159 -6.367 -2.394 1.00 1.00 C ATOM 392 O ALA A 37 -8.966 -6.836 -1.272 1.00 1.00 O ATOM 393 CB ALA A 37 -6.738 -6.159 -2.997 1.00 1.00 C ATOM 0 H ALA A 37 -8.016 -4.861 -4.737 1.00 1.00 H new ATOM 0 HA ALA A 37 -8.118 -7.605 -3.779 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -6.496 -6.742 -2.108 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -5.999 -6.356 -3.773 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -6.729 -5.098 -2.748 1.00 1.00 H new ATOM 399 N GLY A 38 -10.257 -5.683 -2.709 1.00 1.00 N ATOM 400 CA GLY A 38 -11.296 -5.458 -1.721 1.00 1.00 C ATOM 401 C GLY A 38 -11.153 -4.115 -1.033 1.00 1.00 C ATOM 402 O GLY A 38 -11.397 -3.994 0.168 1.00 1.00 O ATOM 0 H GLY A 38 -10.444 -5.282 -3.628 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -12.272 -5.515 -2.203 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.263 -6.252 -0.975 1.00 1.00 H new ATOM 406 N ALA A 39 -10.752 -3.106 -1.797 1.00 1.00 N ATOM 407 CA ALA A 39 -10.570 -1.763 -1.262 1.00 1.00 C ATOM 408 C ALA A 39 -11.589 -0.790 -1.869 1.00 1.00 C ATOM 409 O ALA A 39 -11.983 -0.949 -3.024 1.00 1.00 O ATOM 410 CB ALA A 39 -9.152 -1.284 -1.530 1.00 1.00 C ATOM 0 H ALA A 39 -10.546 -3.193 -2.792 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.735 -1.795 -0.185 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -9.025 -0.279 -1.127 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.443 -1.960 -1.051 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -8.970 -1.269 -2.605 1.00 1.00 H new ATOM 416 N GLN A 40 -12.020 0.214 -1.097 1.00 1.00 N ATOM 417 CA GLN A 40 -12.993 1.185 -1.592 1.00 1.00 C ATOM 418 C GLN A 40 -12.396 2.589 -1.643 1.00 1.00 C ATOM 419 O GLN A 40 -12.209 3.156 -2.719 1.00 1.00 O ATOM 420 CB GLN A 40 -14.242 1.182 -0.709 1.00 1.00 C ATOM 421 CG GLN A 40 -15.518 1.530 -1.458 1.00 1.00 C ATOM 422 CD GLN A 40 -15.829 0.544 -2.568 1.00 1.00 C ATOM 423 OE1 GLN A 40 -15.624 0.834 -3.747 1.00 1.00 O ATOM 424 NE2 GLN A 40 -16.328 -0.629 -2.195 1.00 1.00 N ATOM 0 H GLN A 40 -11.712 0.372 -0.137 1.00 1.00 H new ATOM 0 HA GLN A 40 -13.269 0.894 -2.606 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -14.354 0.197 -0.256 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -14.103 1.893 0.105 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -16.351 1.556 -0.756 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -15.426 2.530 -1.881 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -16.482 -0.827 -1.206 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -16.558 -1.332 -2.897 1.00 1.00 H new ATOM 433 N LYS A 41 -12.103 3.147 -0.471 1.00 1.00 N ATOM 434 CA LYS A 41 -11.533 4.489 -0.381 1.00 1.00 C ATOM 435 C LYS A 41 -10.270 4.611 -1.230 1.00 1.00 C ATOM 436 O LYS A 41 -9.853 3.653 -1.881 1.00 1.00 O ATOM 437 CB LYS A 41 -11.220 4.839 1.075 1.00 1.00 C ATOM 438 CG LYS A 41 -10.389 3.787 1.791 1.00 1.00 C ATOM 439 CD LYS A 41 -11.232 2.957 2.746 1.00 1.00 C ATOM 440 CE LYS A 41 -10.369 2.248 3.779 1.00 1.00 C ATOM 441 NZ LYS A 41 -10.401 0.768 3.609 1.00 1.00 N ATOM 0 H LYS A 41 -12.251 2.691 0.429 1.00 1.00 H new ATOM 0 HA LYS A 41 -12.272 5.192 -0.766 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -10.689 5.791 1.105 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -12.156 4.979 1.615 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -9.920 3.132 1.057 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -9.585 4.273 2.344 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -11.951 3.601 3.252 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -11.805 2.221 2.182 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -9.341 2.601 3.697 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -10.715 2.506 4.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -10.250 0.309 4.530 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -11.325 0.482 3.228 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -9.650 0.478 2.950 1.00 1.00 H new ATOM 455 N GLU A 42 -9.669 5.797 -1.223 1.00 1.00 N ATOM 456 CA GLU A 42 -8.457 6.047 -1.996 1.00 1.00 C ATOM 457 C GLU A 42 -7.214 5.991 -1.111 1.00 1.00 C ATOM 458 O GLU A 42 -6.122 5.675 -1.582 1.00 1.00 O ATOM 459 CB GLU A 42 -8.541 7.409 -2.687 1.00 1.00 C ATOM 460 CG GLU A 42 -9.797 7.591 -3.524 1.00 1.00 C ATOM 461 CD GLU A 42 -9.759 6.792 -4.812 1.00 1.00 C ATOM 462 OE1 GLU A 42 -9.110 7.250 -5.776 1.00 1.00 O ATOM 463 OE2 GLU A 42 -10.377 5.708 -4.857 1.00 1.00 O ATOM 0 H GLU A 42 -10.002 6.601 -0.690 1.00 1.00 H new ATOM 0 HA GLU A 42 -8.375 5.264 -2.750 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -8.501 8.193 -1.931 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -7.667 7.537 -3.326 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -10.666 7.290 -2.939 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -9.922 8.648 -3.760 1.00 1.00 H new ATOM 470 N THR A 43 -7.385 6.298 0.170 1.00 1.00 N ATOM 471 CA THR A 43 -6.271 6.280 1.113 1.00 1.00 C ATOM 472 C THR A 43 -6.376 5.080 2.049 1.00 1.00 C ATOM 473 O THR A 43 -7.473 4.678 2.434 1.00 1.00 O ATOM 474 CB THR A 43 -6.235 7.577 1.923 1.00 1.00 C ATOM 475 OG1 THR A 43 -7.017 8.581 1.301 1.00 1.00 O ATOM 476 CG2 THR A 43 -4.838 8.132 2.105 1.00 1.00 C ATOM 0 H THR A 43 -8.281 6.562 0.579 1.00 1.00 H new ATOM 0 HA THR A 43 -5.345 6.196 0.544 1.00 1.00 H new ATOM 0 HB THR A 43 -6.635 7.315 2.902 1.00 1.00 H new ATOM 0 HG1 THR A 43 -6.544 8.923 0.514 1.00 1.00 H new ATOM 0 HG21 THR A 43 -4.885 9.052 2.688 1.00 1.00 H new ATOM 0 HG22 THR A 43 -4.222 7.401 2.629 1.00 1.00 H new ATOM 0 HG23 THR A 43 -4.400 8.343 1.129 1.00 1.00 H new ATOM 484 N PHE A 44 -5.232 4.508 2.407 1.00 1.00 N ATOM 485 CA PHE A 44 -5.208 3.350 3.294 1.00 1.00 C ATOM 486 C PHE A 44 -3.974 3.358 4.183 1.00 1.00 C ATOM 487 O PHE A 44 -2.894 3.763 3.758 1.00 1.00 O ATOM 488 CB PHE A 44 -5.217 2.056 2.479 1.00 1.00 C ATOM 489 CG PHE A 44 -6.351 1.958 1.504 1.00 1.00 C ATOM 490 CD1 PHE A 44 -6.290 2.613 0.285 1.00 1.00 C ATOM 491 CD2 PHE A 44 -7.472 1.202 1.801 1.00 1.00 C ATOM 492 CE1 PHE A 44 -7.328 2.517 -0.621 1.00 1.00 C ATOM 493 CE2 PHE A 44 -8.514 1.104 0.899 1.00 1.00 C ATOM 494 CZ PHE A 44 -8.441 1.762 -0.313 1.00 1.00 C ATOM 0 H PHE A 44 -4.313 4.825 2.099 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.098 3.403 3.921 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -4.276 1.974 1.935 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -5.265 1.208 3.163 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -5.421 3.206 0.040 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -7.533 0.684 2.747 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -7.269 3.032 -1.569 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -9.385 0.513 1.142 1.00 1.00 H new ATOM 0 HZ PHE A 44 -9.255 1.686 -1.019 1.00 1.00 H new ATOM 504 N THR A 45 -4.135 2.880 5.411 1.00 1.00 N ATOM 505 CA THR A 45 -3.022 2.805 6.343 1.00 1.00 C ATOM 506 C THR A 45 -2.154 1.601 5.996 1.00 1.00 C ATOM 507 O THR A 45 -2.645 0.613 5.450 1.00 1.00 O ATOM 508 CB THR A 45 -3.527 2.706 7.784 1.00 1.00 C ATOM 509 OG1 THR A 45 -4.498 1.681 7.909 1.00 1.00 O ATOM 510 CG2 THR A 45 -4.145 3.993 8.290 1.00 1.00 C ATOM 0 H THR A 45 -5.023 2.540 5.781 1.00 1.00 H new ATOM 0 HA THR A 45 -2.426 3.714 6.260 1.00 1.00 H new ATOM 0 HB THR A 45 -2.645 2.485 8.385 1.00 1.00 H new ATOM 0 HG1 THR A 45 -4.806 1.634 8.838 1.00 1.00 H new ATOM 0 HG21 THR A 45 -4.483 3.855 9.317 1.00 1.00 H new ATOM 0 HG22 THR A 45 -3.403 4.791 8.256 1.00 1.00 H new ATOM 0 HG23 THR A 45 -4.995 4.260 7.662 1.00 1.00 H new ATOM 518 N MET A 46 -0.862 1.697 6.291 1.00 1.00 N ATOM 519 CA MET A 46 0.081 0.623 5.986 1.00 1.00 C ATOM 520 C MET A 46 -0.507 -0.759 6.265 1.00 1.00 C ATOM 521 O MET A 46 -0.398 -1.661 5.438 1.00 1.00 O ATOM 522 CB MET A 46 1.375 0.817 6.771 1.00 1.00 C ATOM 523 CG MET A 46 2.450 1.535 5.973 1.00 1.00 C ATOM 524 SD MET A 46 4.085 0.815 6.203 1.00 1.00 S ATOM 525 CE MET A 46 3.914 -0.697 5.259 1.00 1.00 C ATOM 0 H MET A 46 -0.441 2.509 6.742 1.00 1.00 H new ATOM 0 HA MET A 46 0.296 0.673 4.919 1.00 1.00 H new ATOM 0 HB2 MET A 46 1.163 1.385 7.677 1.00 1.00 H new ATOM 0 HB3 MET A 46 1.752 -0.156 7.086 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.191 1.507 4.915 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.475 2.584 6.267 1.00 1.00 H new ATOM 0 HE1 MET A 46 4.876 -0.963 4.820 1.00 1.00 H new ATOM 0 HE2 MET A 46 3.580 -1.500 5.916 1.00 1.00 H new ATOM 0 HE3 MET A 46 3.182 -0.549 4.465 1.00 1.00 H new ATOM 535 N LYS A 47 -1.135 -0.922 7.424 1.00 1.00 N ATOM 536 CA LYS A 47 -1.737 -2.204 7.783 1.00 1.00 C ATOM 537 C LYS A 47 -2.728 -2.652 6.712 1.00 1.00 C ATOM 538 O LYS A 47 -2.664 -3.783 6.231 1.00 1.00 O ATOM 539 CB LYS A 47 -2.437 -2.106 9.140 1.00 1.00 C ATOM 540 CG LYS A 47 -1.500 -1.757 10.287 1.00 1.00 C ATOM 541 CD LYS A 47 -0.268 -2.651 10.306 1.00 1.00 C ATOM 542 CE LYS A 47 -0.641 -4.122 10.434 1.00 1.00 C ATOM 543 NZ LYS A 47 -0.838 -4.781 9.113 1.00 1.00 N ATOM 0 H LYS A 47 -1.241 -0.190 8.127 1.00 1.00 H new ATOM 0 HA LYS A 47 -0.942 -2.946 7.852 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -3.221 -1.351 9.081 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -2.925 -3.056 9.357 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -1.191 -0.715 10.199 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -2.033 -1.853 11.233 1.00 1.00 H new ATOM 0 HD2 LYS A 47 0.306 -2.499 9.392 1.00 1.00 H new ATOM 0 HD3 LYS A 47 0.376 -2.365 11.138 1.00 1.00 H new ATOM 0 HE2 LYS A 47 0.142 -4.645 10.983 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -1.556 -4.211 11.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -0.703 -5.807 9.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -1.801 -4.591 8.770 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -0.148 -4.406 8.431 1.00 1.00 H new ATOM 557 N GLU A 48 -3.633 -1.755 6.332 1.00 1.00 N ATOM 558 CA GLU A 48 -4.619 -2.063 5.303 1.00 1.00 C ATOM 559 C GLU A 48 -3.928 -2.246 3.959 1.00 1.00 C ATOM 560 O GLU A 48 -4.215 -3.189 3.222 1.00 1.00 O ATOM 561 CB GLU A 48 -5.667 -0.953 5.205 1.00 1.00 C ATOM 562 CG GLU A 48 -6.306 -0.594 6.537 1.00 1.00 C ATOM 563 CD GLU A 48 -6.855 -1.805 7.267 1.00 1.00 C ATOM 564 OE1 GLU A 48 -7.529 -2.633 6.619 1.00 1.00 O ATOM 565 OE2 GLU A 48 -6.609 -1.925 8.485 1.00 1.00 O ATOM 0 H GLU A 48 -3.704 -0.814 6.719 1.00 1.00 H new ATOM 0 HA GLU A 48 -5.124 -2.989 5.577 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -5.201 -0.062 4.784 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -6.447 -1.263 4.510 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -5.568 -0.098 7.168 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -7.112 0.120 6.368 1.00 1.00 H new ATOM 572 N VAL A 49 -2.999 -1.342 3.657 1.00 1.00 N ATOM 573 CA VAL A 49 -2.246 -1.404 2.409 1.00 1.00 C ATOM 574 C VAL A 49 -1.544 -2.750 2.281 1.00 1.00 C ATOM 575 O VAL A 49 -1.694 -3.454 1.283 1.00 1.00 O ATOM 576 CB VAL A 49 -1.186 -0.285 2.328 1.00 1.00 C ATOM 577 CG1 VAL A 49 -0.664 -0.149 0.906 1.00 1.00 C ATOM 578 CG2 VAL A 49 -1.747 1.041 2.829 1.00 1.00 C ATOM 0 H VAL A 49 -2.750 -0.558 4.260 1.00 1.00 H new ATOM 0 HA VAL A 49 -2.960 -1.273 1.596 1.00 1.00 H new ATOM 0 HB VAL A 49 -0.354 -0.559 2.976 1.00 1.00 H new ATOM 0 HG11 VAL A 49 0.082 0.644 0.867 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -0.211 -1.090 0.593 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -1.489 0.096 0.237 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -0.978 1.811 2.760 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -2.603 1.328 2.218 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -2.061 0.934 3.867 1.00 1.00 H new ATOM 588 N LEU A 50 -0.782 -3.097 3.311 1.00 1.00 N ATOM 589 CA LEU A 50 -0.051 -4.356 3.346 1.00 1.00 C ATOM 590 C LEU A 50 -1.009 -5.547 3.407 1.00 1.00 C ATOM 591 O LEU A 50 -0.621 -6.681 3.125 1.00 1.00 O ATOM 592 CB LEU A 50 0.891 -4.373 4.555 1.00 1.00 C ATOM 593 CG LEU A 50 2.372 -4.564 4.223 1.00 1.00 C ATOM 594 CD1 LEU A 50 3.234 -4.237 5.432 1.00 1.00 C ATOM 595 CD2 LEU A 50 2.639 -5.984 3.746 1.00 1.00 C ATOM 0 H LEU A 50 -0.654 -2.517 4.140 1.00 1.00 H new ATOM 0 HA LEU A 50 0.534 -4.441 2.430 1.00 1.00 H new ATOM 0 HB2 LEU A 50 0.775 -3.436 5.099 1.00 1.00 H new ATOM 0 HB3 LEU A 50 0.580 -5.173 5.227 1.00 1.00 H new ATOM 0 HG LEU A 50 2.633 -3.879 3.416 1.00 1.00 H new ATOM 0 HD11 LEU A 50 4.285 -4.378 5.179 1.00 1.00 H new ATOM 0 HD12 LEU A 50 3.068 -3.201 5.728 1.00 1.00 H new ATOM 0 HD13 LEU A 50 2.968 -4.897 6.258 1.00 1.00 H new ATOM 0 HD21 LEU A 50 3.698 -6.097 3.516 1.00 1.00 H new ATOM 0 HD22 LEU A 50 2.361 -6.689 4.529 1.00 1.00 H new ATOM 0 HD23 LEU A 50 2.050 -6.184 2.851 1.00 1.00 H new ATOM 607 N TYR A 51 -2.259 -5.283 3.781 1.00 1.00 N ATOM 608 CA TYR A 51 -3.265 -6.336 3.886 1.00 1.00 C ATOM 609 C TYR A 51 -3.828 -6.709 2.515 1.00 1.00 C ATOM 610 O TYR A 51 -3.779 -7.874 2.113 1.00 1.00 O ATOM 611 CB TYR A 51 -4.398 -5.897 4.817 1.00 1.00 C ATOM 612 CG TYR A 51 -5.437 -6.970 5.056 1.00 1.00 C ATOM 613 CD1 TYR A 51 -5.111 -8.141 5.730 1.00 1.00 C ATOM 614 CD2 TYR A 51 -6.742 -6.812 4.608 1.00 1.00 C ATOM 615 CE1 TYR A 51 -6.057 -9.123 5.951 1.00 1.00 C ATOM 616 CE2 TYR A 51 -7.694 -7.791 4.826 1.00 1.00 C ATOM 617 CZ TYR A 51 -7.347 -8.944 5.497 1.00 1.00 C ATOM 618 OH TYR A 51 -8.292 -9.919 5.717 1.00 1.00 O ATOM 0 H TYR A 51 -2.599 -4.350 4.016 1.00 1.00 H new ATOM 0 HA TYR A 51 -2.780 -7.219 4.303 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -3.974 -5.595 5.774 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -4.886 -5.019 4.393 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -4.102 -8.285 6.087 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -7.018 -5.910 4.081 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -5.788 -10.027 6.477 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -8.705 -7.653 4.472 1.00 1.00 H new ATOM 0 HH TYR A 51 -9.149 -9.636 5.335 1.00 1.00 H new ATOM 628 N HIS A 52 -4.362 -5.724 1.795 1.00 1.00 N ATOM 629 CA HIS A 52 -4.926 -5.981 0.473 1.00 1.00 C ATOM 630 C HIS A 52 -3.879 -6.608 -0.438 1.00 1.00 C ATOM 631 O HIS A 52 -4.164 -7.563 -1.155 1.00 1.00 O ATOM 632 CB HIS A 52 -5.472 -4.700 -0.167 1.00 1.00 C ATOM 633 CG HIS A 52 -6.074 -3.732 0.806 1.00 1.00 C ATOM 634 ND1 HIS A 52 -7.162 -4.036 1.596 1.00 1.00 N ATOM 635 CD2 HIS A 52 -5.740 -2.453 1.106 1.00 1.00 C ATOM 636 CE1 HIS A 52 -7.473 -2.988 2.337 1.00 1.00 C ATOM 637 NE2 HIS A 52 -6.625 -2.015 2.060 1.00 1.00 N ATOM 0 H HIS A 52 -4.416 -4.752 2.101 1.00 1.00 H new ATOM 0 HA HIS A 52 -5.756 -6.676 0.601 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -4.664 -4.203 -0.703 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.226 -4.970 -0.906 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -4.929 -1.885 0.675 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -8.284 -2.936 3.049 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -6.627 -1.088 2.486 1.00 1.00 H new ATOM 646 N LEU A 53 -2.661 -6.068 -0.399 1.00 1.00 N ATOM 647 CA LEU A 53 -1.569 -6.574 -1.209 1.00 1.00 C ATOM 648 C LEU A 53 -1.496 -8.096 -1.148 1.00 1.00 C ATOM 649 O LEU A 53 -1.464 -8.765 -2.181 1.00 1.00 O ATOM 650 CB LEU A 53 -0.257 -5.955 -0.735 1.00 1.00 C ATOM 651 CG LEU A 53 0.477 -5.142 -1.794 1.00 1.00 C ATOM 652 CD1 LEU A 53 -0.464 -4.155 -2.469 1.00 1.00 C ATOM 653 CD2 LEU A 53 1.672 -4.422 -1.188 1.00 1.00 C ATOM 0 H LEU A 53 -2.411 -5.275 0.192 1.00 1.00 H new ATOM 0 HA LEU A 53 -1.746 -6.295 -2.248 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -0.462 -5.312 0.121 1.00 1.00 H new ATOM 0 HB3 LEU A 53 0.401 -6.751 -0.386 1.00 1.00 H new ATOM 0 HG LEU A 53 0.845 -5.831 -2.555 1.00 1.00 H new ATOM 0 HD11 LEU A 53 0.083 -3.586 -3.221 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -1.279 -4.698 -2.947 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -0.871 -3.472 -1.723 1.00 1.00 H new ATOM 0 HD21 LEU A 53 2.181 -3.848 -1.962 1.00 1.00 H new ATOM 0 HD22 LEU A 53 1.331 -3.749 -0.402 1.00 1.00 H new ATOM 0 HD23 LEU A 53 2.361 -5.153 -0.766 1.00 1.00 H new ATOM 665 N GLY A 54 -1.488 -8.640 0.066 1.00 1.00 N ATOM 666 CA GLY A 54 -1.440 -10.082 0.223 1.00 1.00 C ATOM 667 C GLY A 54 -2.573 -10.758 -0.520 1.00 1.00 C ATOM 668 O GLY A 54 -2.390 -11.816 -1.124 1.00 1.00 O ATOM 0 H GLY A 54 -1.514 -8.112 0.938 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.486 -10.458 -0.146 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -1.495 -10.336 1.282 1.00 1.00 H new ATOM 672 N GLN A 55 -3.745 -10.130 -0.488 1.00 1.00 N ATOM 673 CA GLN A 55 -4.917 -10.659 -1.176 1.00 1.00 C ATOM 674 C GLN A 55 -4.865 -10.315 -2.664 1.00 1.00 C ATOM 675 O GLN A 55 -5.469 -10.997 -3.492 1.00 1.00 O ATOM 676 CB GLN A 55 -6.197 -10.098 -0.555 1.00 1.00 C ATOM 677 CG GLN A 55 -6.383 -10.480 0.904 1.00 1.00 C ATOM 678 CD GLN A 55 -7.843 -10.564 1.302 1.00 1.00 C ATOM 679 OE1 GLN A 55 -8.729 -10.633 0.449 1.00 1.00 O ATOM 680 NE2 GLN A 55 -8.103 -10.557 2.604 1.00 1.00 N ATOM 0 H GLN A 55 -3.908 -9.253 0.008 1.00 1.00 H new ATOM 0 HA GLN A 55 -4.918 -11.744 -1.067 1.00 1.00 H new ATOM 0 HB2 GLN A 55 -6.186 -9.011 -0.639 1.00 1.00 H new ATOM 0 HB3 GLN A 55 -7.054 -10.453 -1.127 1.00 1.00 H new ATOM 0 HG2 GLN A 55 -5.904 -11.442 1.088 1.00 1.00 H new ATOM 0 HG3 GLN A 55 -5.880 -9.747 1.535 1.00 1.00 H new ATOM 0 HE21 GLN A 55 -7.338 -10.499 3.276 1.00 1.00 H new ATOM 0 HE22 GLN A 55 -9.067 -10.610 2.932 1.00 1.00 H new ATOM 689 N TYR A 56 -4.136 -9.251 -2.995 1.00 1.00 N ATOM 690 CA TYR A 56 -3.996 -8.813 -4.378 1.00 1.00 C ATOM 691 C TYR A 56 -3.151 -9.808 -5.170 1.00 1.00 C ATOM 692 O TYR A 56 -3.536 -10.238 -6.257 1.00 1.00 O ATOM 693 CB TYR A 56 -3.360 -7.416 -4.426 1.00 1.00 C ATOM 694 CG TYR A 56 -2.884 -7.006 -5.803 1.00 1.00 C ATOM 695 CD1 TYR A 56 -3.782 -6.582 -6.773 1.00 1.00 C ATOM 696 CD2 TYR A 56 -1.537 -7.061 -6.135 1.00 1.00 C ATOM 697 CE1 TYR A 56 -3.352 -6.226 -8.037 1.00 1.00 C ATOM 698 CE2 TYR A 56 -1.097 -6.701 -7.394 1.00 1.00 C ATOM 699 CZ TYR A 56 -2.008 -6.286 -8.343 1.00 1.00 C ATOM 700 OH TYR A 56 -1.575 -5.933 -9.600 1.00 1.00 O ATOM 0 H TYR A 56 -3.632 -8.676 -2.320 1.00 1.00 H new ATOM 0 HA TYR A 56 -4.986 -8.765 -4.831 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -4.086 -6.685 -4.071 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -2.516 -7.388 -3.737 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -4.834 -6.530 -6.536 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -0.821 -7.391 -5.397 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -4.064 -5.902 -8.782 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -0.045 -6.744 -7.634 1.00 1.00 H new ATOM 0 HH TYR A 56 -0.604 -5.800 -9.586 1.00 1.00 H new ATOM 710 N ILE A 57 -2.000 -10.170 -4.613 1.00 1.00 N ATOM 711 CA ILE A 57 -1.101 -11.115 -5.263 1.00 1.00 C ATOM 712 C ILE A 57 -1.778 -12.469 -5.452 1.00 1.00 C ATOM 713 O ILE A 57 -1.854 -12.983 -6.568 1.00 1.00 O ATOM 714 CB ILE A 57 0.196 -11.303 -4.450 1.00 1.00 C ATOM 715 CG1 ILE A 57 0.852 -9.947 -4.182 1.00 1.00 C ATOM 716 CG2 ILE A 57 1.159 -12.229 -5.181 1.00 1.00 C ATOM 717 CD1 ILE A 57 2.164 -10.047 -3.435 1.00 1.00 C ATOM 0 H ILE A 57 -1.668 -9.823 -3.713 1.00 1.00 H new ATOM 0 HA ILE A 57 -0.849 -10.700 -6.239 1.00 1.00 H new ATOM 0 HB ILE A 57 -0.057 -11.763 -3.494 1.00 1.00 H new ATOM 0 HG12 ILE A 57 1.022 -9.441 -5.132 1.00 1.00 H new ATOM 0 HG13 ILE A 57 0.163 -9.326 -3.609 1.00 1.00 H new ATOM 0 HG21 ILE A 57 2.068 -12.348 -4.591 1.00 1.00 H new ATOM 0 HG22 ILE A 57 0.689 -13.202 -5.325 1.00 1.00 H new ATOM 0 HG23 ILE A 57 1.410 -11.800 -6.151 1.00 1.00 H new ATOM 0 HD11 ILE A 57 2.572 -9.048 -3.280 1.00 1.00 H new ATOM 0 HD12 ILE A 57 1.997 -10.525 -2.469 1.00 1.00 H new ATOM 0 HD13 ILE A 57 2.869 -10.641 -4.016 1.00 1.00 H new ATOM 729 N MET A 58 -2.272 -13.040 -4.358 1.00 1.00 N ATOM 730 CA MET A 58 -2.945 -14.332 -4.412 1.00 1.00 C ATOM 731 C MET A 58 -4.141 -14.277 -5.358 1.00 1.00 C ATOM 732 O MET A 58 -4.505 -15.278 -5.974 1.00 1.00 O ATOM 733 CB MET A 58 -3.399 -14.758 -3.014 1.00 1.00 C ATOM 734 CG MET A 58 -4.372 -13.785 -2.367 1.00 1.00 C ATOM 735 SD MET A 58 -5.963 -14.541 -1.979 1.00 1.00 S ATOM 736 CE MET A 58 -5.883 -14.599 -0.190 1.00 1.00 C ATOM 0 H MET A 58 -2.219 -12.629 -3.426 1.00 1.00 H new ATOM 0 HA MET A 58 -2.237 -15.069 -4.790 1.00 1.00 H new ATOM 0 HB2 MET A 58 -3.868 -15.740 -3.077 1.00 1.00 H new ATOM 0 HB3 MET A 58 -2.524 -14.863 -2.373 1.00 1.00 H new ATOM 0 HG2 MET A 58 -3.930 -13.390 -1.452 1.00 1.00 H new ATOM 0 HG3 MET A 58 -4.530 -12.939 -3.035 1.00 1.00 H new ATOM 0 HE1 MET A 58 -6.799 -15.043 0.201 1.00 1.00 H new ATOM 0 HE2 MET A 58 -5.028 -15.201 0.117 1.00 1.00 H new ATOM 0 HE3 MET A 58 -5.774 -13.588 0.202 1.00 1.00 H new ATOM 746 N ALA A 59 -4.743 -13.096 -5.474 1.00 1.00 N ATOM 747 CA ALA A 59 -5.891 -12.909 -6.352 1.00 1.00 C ATOM 748 C ALA A 59 -5.451 -12.877 -7.811 1.00 1.00 C ATOM 749 O ALA A 59 -5.893 -13.693 -8.621 1.00 1.00 O ATOM 750 CB ALA A 59 -6.629 -11.629 -5.992 1.00 1.00 C ATOM 0 H ALA A 59 -4.454 -12.257 -4.971 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.569 -13.752 -6.217 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -7.484 -11.503 -6.656 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -6.976 -11.687 -4.960 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.956 -10.778 -6.101 1.00 1.00 H new ATOM 756 N LYS A 60 -4.569 -11.937 -8.138 1.00 1.00 N ATOM 757 CA LYS A 60 -4.060 -11.808 -9.497 1.00 1.00 C ATOM 758 C LYS A 60 -3.263 -13.048 -9.893 1.00 1.00 C ATOM 759 O LYS A 60 -3.134 -13.364 -11.075 1.00 1.00 O ATOM 760 CB LYS A 60 -3.180 -10.563 -9.618 1.00 1.00 C ATOM 761 CG LYS A 60 -3.963 -9.280 -9.844 1.00 1.00 C ATOM 762 CD LYS A 60 -5.020 -9.070 -8.772 1.00 1.00 C ATOM 763 CE LYS A 60 -5.836 -7.815 -9.033 1.00 1.00 C ATOM 764 NZ LYS A 60 -7.155 -8.128 -9.649 1.00 1.00 N ATOM 0 H LYS A 60 -4.193 -11.254 -7.480 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.910 -11.709 -10.172 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -2.585 -10.460 -8.710 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -2.481 -10.702 -10.443 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -3.278 -8.432 -9.851 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -4.440 -9.312 -10.824 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.682 -9.935 -8.738 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -4.540 -8.997 -7.796 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -5.991 -7.281 -8.095 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.277 -7.149 -9.690 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -7.616 -7.246 -9.950 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -7.015 -8.745 -10.474 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.757 -8.612 -8.953 1.00 1.00 H new ATOM 778 N GLN A 61 -2.731 -13.748 -8.892 1.00 1.00 N ATOM 779 CA GLN A 61 -1.946 -14.957 -9.125 1.00 1.00 C ATOM 780 C GLN A 61 -0.591 -14.623 -9.743 1.00 1.00 C ATOM 781 O GLN A 61 -0.295 -15.020 -10.870 1.00 1.00 O ATOM 782 CB GLN A 61 -2.712 -15.928 -10.027 1.00 1.00 C ATOM 783 CG GLN A 61 -2.147 -17.340 -10.018 1.00 1.00 C ATOM 784 CD GLN A 61 -3.203 -18.390 -9.734 1.00 1.00 C ATOM 785 OE1 GLN A 61 -3.275 -19.414 -10.412 1.00 1.00 O ATOM 786 NE2 GLN A 61 -4.030 -18.140 -8.725 1.00 1.00 N ATOM 0 H GLN A 61 -2.831 -13.496 -7.909 1.00 1.00 H new ATOM 0 HA GLN A 61 -1.772 -15.434 -8.160 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.754 -15.960 -9.710 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -2.701 -15.548 -11.048 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -1.684 -17.548 -10.983 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -1.361 -17.408 -9.266 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -3.934 -17.278 -8.189 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -4.761 -18.811 -8.486 1.00 1.00 H new ATOM 795 N LEU A 62 0.230 -13.894 -8.993 1.00 1.00 N ATOM 796 CA LEU A 62 1.558 -13.512 -9.462 1.00 1.00 C ATOM 797 C LEU A 62 2.638 -14.409 -8.856 1.00 1.00 C ATOM 798 O LEU A 62 3.810 -14.312 -9.221 1.00 1.00 O ATOM 799 CB LEU A 62 1.850 -12.050 -9.114 1.00 1.00 C ATOM 800 CG LEU A 62 0.659 -11.095 -9.224 1.00 1.00 C ATOM 801 CD1 LEU A 62 1.129 -9.653 -9.124 1.00 1.00 C ATOM 802 CD2 LEU A 62 -0.092 -11.319 -10.528 1.00 1.00 C ATOM 0 H LEU A 62 -0.001 -13.556 -8.059 1.00 1.00 H new ATOM 0 HA LEU A 62 1.573 -13.634 -10.545 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.234 -12.007 -8.095 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.643 -11.690 -9.769 1.00 1.00 H new ATOM 0 HG LEU A 62 -0.023 -11.299 -8.398 1.00 1.00 H new ATOM 0 HD11 LEU A 62 0.272 -8.985 -9.204 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.623 -9.497 -8.165 1.00 1.00 H new ATOM 0 HD13 LEU A 62 1.830 -9.442 -9.932 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -0.935 -10.630 -10.586 1.00 1.00 H new ATOM 0 HD22 LEU A 62 0.579 -11.143 -11.369 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -0.459 -12.345 -10.565 1.00 1.00 H new ATOM 814 N TYR A 63 2.242 -15.277 -7.928 1.00 1.00 N ATOM 815 CA TYR A 63 3.182 -16.180 -7.276 1.00 1.00 C ATOM 816 C TYR A 63 3.494 -17.380 -8.165 1.00 1.00 C ATOM 817 O TYR A 63 2.767 -17.667 -9.117 1.00 1.00 O ATOM 818 CB TYR A 63 2.618 -16.651 -5.935 1.00 1.00 C ATOM 819 CG TYR A 63 1.299 -17.382 -6.059 1.00 1.00 C ATOM 820 CD1 TYR A 63 1.248 -18.690 -6.524 1.00 1.00 C ATOM 821 CD2 TYR A 63 0.105 -16.760 -5.714 1.00 1.00 C ATOM 822 CE1 TYR A 63 0.044 -19.358 -6.641 1.00 1.00 C ATOM 823 CE2 TYR A 63 -1.103 -17.423 -5.828 1.00 1.00 C ATOM 824 CZ TYR A 63 -1.128 -18.721 -6.292 1.00 1.00 C ATOM 825 OH TYR A 63 -2.328 -19.383 -6.408 1.00 1.00 O ATOM 0 H TYR A 63 1.277 -15.373 -7.612 1.00 1.00 H new ATOM 0 HA TYR A 63 4.110 -15.635 -7.101 1.00 1.00 H new ATOM 0 HB2 TYR A 63 3.344 -17.307 -5.455 1.00 1.00 H new ATOM 0 HB3 TYR A 63 2.486 -15.788 -5.282 1.00 1.00 H new ATOM 0 HD1 TYR A 63 2.164 -19.193 -6.798 1.00 1.00 H new ATOM 0 HD2 TYR A 63 0.121 -15.743 -5.351 1.00 1.00 H new ATOM 0 HE1 TYR A 63 0.021 -20.375 -7.004 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -2.022 -16.927 -5.555 1.00 1.00 H new ATOM 0 HH TYR A 63 -3.056 -18.793 -6.120 1.00 1.00 H new ATOM 835 N ASP A 64 4.583 -18.074 -7.851 1.00 1.00 N ATOM 836 CA ASP A 64 5.000 -19.241 -8.622 1.00 1.00 C ATOM 837 C ASP A 64 4.547 -20.535 -7.953 1.00 1.00 C ATOM 838 O ASP A 64 4.515 -20.633 -6.727 1.00 1.00 O ATOM 839 CB ASP A 64 6.521 -19.249 -8.786 1.00 1.00 C ATOM 840 CG ASP A 64 6.988 -20.285 -9.790 1.00 1.00 C ATOM 841 OD1 ASP A 64 6.221 -20.593 -10.726 1.00 1.00 O ATOM 842 OD2 ASP A 64 8.121 -20.789 -9.639 1.00 1.00 O ATOM 0 H ASP A 64 5.194 -17.848 -7.066 1.00 1.00 H new ATOM 0 HA ASP A 64 4.530 -19.179 -9.604 1.00 1.00 H new ATOM 0 HB2 ASP A 64 6.855 -18.262 -9.105 1.00 1.00 H new ATOM 0 HB3 ASP A 64 6.987 -19.447 -7.821 1.00 1.00 H new ATOM 847 N GLU A 65 4.203 -21.528 -8.766 1.00 1.00 N ATOM 848 CA GLU A 65 3.760 -22.817 -8.250 1.00 1.00 C ATOM 849 C GLU A 65 4.863 -23.471 -7.424 1.00 1.00 C ATOM 850 O GLU A 65 4.645 -23.859 -6.276 1.00 1.00 O ATOM 851 CB GLU A 65 3.351 -23.740 -9.400 1.00 1.00 C ATOM 852 CG GLU A 65 1.900 -23.576 -9.823 1.00 1.00 C ATOM 853 CD GLU A 65 1.265 -24.887 -10.244 1.00 1.00 C ATOM 854 OE1 GLU A 65 1.235 -25.824 -9.418 1.00 1.00 O ATOM 855 OE2 GLU A 65 0.796 -24.977 -11.398 1.00 1.00 O ATOM 0 H GLU A 65 4.223 -21.465 -9.784 1.00 1.00 H new ATOM 0 HA GLU A 65 2.895 -22.649 -7.608 1.00 1.00 H new ATOM 0 HB2 GLU A 65 3.995 -23.546 -10.258 1.00 1.00 H new ATOM 0 HB3 GLU A 65 3.520 -24.775 -9.102 1.00 1.00 H new ATOM 0 HG2 GLU A 65 1.331 -23.149 -8.997 1.00 1.00 H new ATOM 0 HG3 GLU A 65 1.844 -22.867 -10.649 1.00 1.00 H new ATOM 862 N LYS A 66 6.052 -23.583 -8.012 1.00 1.00 N ATOM 863 CA LYS A 66 7.190 -24.182 -7.324 1.00 1.00 C ATOM 864 C LYS A 66 7.484 -23.431 -6.030 1.00 1.00 C ATOM 865 O LYS A 66 7.389 -23.993 -4.939 1.00 1.00 O ATOM 866 CB LYS A 66 8.424 -24.171 -8.228 1.00 1.00 C ATOM 867 CG LYS A 66 8.204 -24.861 -9.566 1.00 1.00 C ATOM 868 CD LYS A 66 8.446 -23.915 -10.731 1.00 1.00 C ATOM 869 CE LYS A 66 7.445 -24.144 -11.852 1.00 1.00 C ATOM 870 NZ LYS A 66 7.705 -23.258 -13.020 1.00 1.00 N ATOM 0 H LYS A 66 6.251 -23.267 -8.961 1.00 1.00 H new ATOM 0 HA LYS A 66 6.941 -25.215 -7.081 1.00 1.00 H new ATOM 0 HB2 LYS A 66 8.725 -23.139 -8.406 1.00 1.00 H new ATOM 0 HB3 LYS A 66 9.249 -24.658 -7.709 1.00 1.00 H new ATOM 0 HG2 LYS A 66 8.872 -25.718 -9.648 1.00 1.00 H new ATOM 0 HG3 LYS A 66 7.185 -25.245 -9.614 1.00 1.00 H new ATOM 0 HD2 LYS A 66 8.376 -22.884 -10.384 1.00 1.00 H new ATOM 0 HD3 LYS A 66 9.458 -24.056 -11.111 1.00 1.00 H new ATOM 0 HE2 LYS A 66 7.489 -25.186 -12.170 1.00 1.00 H new ATOM 0 HE3 LYS A 66 6.436 -23.966 -11.479 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 7.001 -23.446 -13.762 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 7.638 -22.264 -12.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 8.658 -23.445 -13.392 1.00 1.00 H new ATOM 884 N GLN A 67 7.828 -22.154 -6.160 1.00 1.00 N ATOM 885 CA GLN A 67 8.118 -21.320 -5.002 1.00 1.00 C ATOM 886 C GLN A 67 6.909 -20.460 -4.659 1.00 1.00 C ATOM 887 O GLN A 67 6.419 -19.701 -5.495 1.00 1.00 O ATOM 888 CB GLN A 67 9.334 -20.432 -5.276 1.00 1.00 C ATOM 889 CG GLN A 67 10.656 -21.181 -5.234 1.00 1.00 C ATOM 890 CD GLN A 67 11.040 -21.608 -3.831 1.00 1.00 C ATOM 891 OE1 GLN A 67 10.194 -21.688 -2.940 1.00 1.00 O ATOM 892 NE2 GLN A 67 12.323 -21.883 -3.627 1.00 1.00 N ATOM 0 H GLN A 67 7.912 -21.675 -7.057 1.00 1.00 H new ATOM 0 HA GLN A 67 8.343 -21.968 -4.154 1.00 1.00 H new ATOM 0 HB2 GLN A 67 9.220 -19.967 -6.255 1.00 1.00 H new ATOM 0 HB3 GLN A 67 9.359 -19.627 -4.542 1.00 1.00 H new ATOM 0 HG2 GLN A 67 10.591 -22.062 -5.873 1.00 1.00 H new ATOM 0 HG3 GLN A 67 11.442 -20.547 -5.645 1.00 1.00 H new ATOM 0 HE21 GLN A 67 12.990 -21.803 -4.395 1.00 1.00 H new ATOM 0 HE22 GLN A 67 12.642 -22.174 -2.703 1.00 1.00 H new ATOM 901 N GLN A 68 6.424 -20.586 -3.429 1.00 1.00 N ATOM 902 CA GLN A 68 5.264 -19.823 -2.987 1.00 1.00 C ATOM 903 C GLN A 68 5.669 -18.450 -2.464 1.00 1.00 C ATOM 904 O GLN A 68 4.868 -17.515 -2.470 1.00 1.00 O ATOM 905 CB GLN A 68 4.502 -20.594 -1.908 1.00 1.00 C ATOM 906 CG GLN A 68 3.409 -21.493 -2.462 1.00 1.00 C ATOM 907 CD GLN A 68 3.902 -22.897 -2.755 1.00 1.00 C ATOM 908 OE1 GLN A 68 4.550 -23.527 -1.919 1.00 1.00 O ATOM 909 NE2 GLN A 68 3.596 -23.394 -3.948 1.00 1.00 N ATOM 0 H GLN A 68 6.815 -21.208 -2.722 1.00 1.00 H new ATOM 0 HA GLN A 68 4.612 -19.676 -3.848 1.00 1.00 H new ATOM 0 HB2 GLN A 68 5.207 -21.201 -1.340 1.00 1.00 H new ATOM 0 HB3 GLN A 68 4.058 -19.884 -1.210 1.00 1.00 H new ATOM 0 HG2 GLN A 68 2.587 -21.542 -1.748 1.00 1.00 H new ATOM 0 HG3 GLN A 68 3.011 -21.053 -3.376 1.00 1.00 H new ATOM 0 HE21 GLN A 68 3.057 -22.836 -4.610 1.00 1.00 H new ATOM 0 HE22 GLN A 68 3.900 -24.334 -4.202 1.00 1.00 H new ATOM 918 N HIS A 69 6.913 -18.328 -2.011 1.00 1.00 N ATOM 919 CA HIS A 69 7.405 -17.059 -1.489 1.00 1.00 C ATOM 920 C HIS A 69 8.083 -16.232 -2.583 1.00 1.00 C ATOM 921 O HIS A 69 8.754 -15.241 -2.295 1.00 1.00 O ATOM 922 CB HIS A 69 8.363 -17.296 -0.315 1.00 1.00 C ATOM 923 CG HIS A 69 9.693 -17.864 -0.706 1.00 1.00 C ATOM 924 ND1 HIS A 69 9.859 -19.157 -1.158 1.00 1.00 N ATOM 925 CD2 HIS A 69 10.929 -17.310 -0.697 1.00 1.00 C ATOM 926 CE1 HIS A 69 11.138 -19.374 -1.409 1.00 1.00 C ATOM 927 NE2 HIS A 69 11.808 -18.269 -1.138 1.00 1.00 N ATOM 0 H HIS A 69 7.594 -19.087 -1.995 1.00 1.00 H new ATOM 0 HA HIS A 69 6.548 -16.490 -1.128 1.00 1.00 H new ATOM 0 HB2 HIS A 69 8.524 -16.351 0.203 1.00 1.00 H new ATOM 0 HB3 HIS A 69 7.887 -17.972 0.395 1.00 1.00 H new ATOM 0 HD2 HIS A 69 11.177 -16.302 -0.399 1.00 1.00 H new ATOM 0 HE1 HIS A 69 11.563 -20.298 -1.774 1.00 1.00 H new ATOM 0 HE2 HIS A 69 12.816 -18.147 -1.240 1.00 1.00 H new ATOM 936 N ILE A 70 7.886 -16.633 -3.840 1.00 1.00 N ATOM 937 CA ILE A 70 8.462 -15.916 -4.973 1.00 1.00 C ATOM 938 C ILE A 70 7.355 -15.365 -5.867 1.00 1.00 C ATOM 939 O ILE A 70 6.389 -16.062 -6.178 1.00 1.00 O ATOM 940 CB ILE A 70 9.399 -16.821 -5.814 1.00 1.00 C ATOM 941 CG1 ILE A 70 10.778 -16.939 -5.156 1.00 1.00 C ATOM 942 CG2 ILE A 70 9.547 -16.281 -7.233 1.00 1.00 C ATOM 943 CD1 ILE A 70 10.732 -17.143 -3.659 1.00 1.00 C ATOM 0 H ILE A 70 7.332 -17.450 -4.096 1.00 1.00 H new ATOM 0 HA ILE A 70 9.055 -15.096 -4.569 1.00 1.00 H new ATOM 0 HB ILE A 70 8.947 -17.812 -5.862 1.00 1.00 H new ATOM 0 HG12 ILE A 70 11.315 -17.772 -5.609 1.00 1.00 H new ATOM 0 HG13 ILE A 70 11.350 -16.037 -5.372 1.00 1.00 H new ATOM 0 HG21 ILE A 70 10.209 -16.933 -7.803 1.00 1.00 H new ATOM 0 HG22 ILE A 70 8.569 -16.247 -7.713 1.00 1.00 H new ATOM 0 HG23 ILE A 70 9.969 -15.277 -7.198 1.00 1.00 H new ATOM 0 HD11 ILE A 70 11.748 -17.217 -3.270 1.00 1.00 H new ATOM 0 HD12 ILE A 70 10.225 -16.298 -3.192 1.00 1.00 H new ATOM 0 HD13 ILE A 70 10.190 -18.061 -3.433 1.00 1.00 H new ATOM 955 N VAL A 71 7.505 -14.113 -6.278 1.00 1.00 N ATOM 956 CA VAL A 71 6.520 -13.471 -7.138 1.00 1.00 C ATOM 957 C VAL A 71 7.180 -12.882 -8.381 1.00 1.00 C ATOM 958 O VAL A 71 7.859 -11.858 -8.307 1.00 1.00 O ATOM 959 CB VAL A 71 5.764 -12.356 -6.392 1.00 1.00 C ATOM 960 CG1 VAL A 71 4.566 -11.886 -7.203 1.00 1.00 C ATOM 961 CG2 VAL A 71 5.329 -12.835 -5.012 1.00 1.00 C ATOM 0 H VAL A 71 8.299 -13.522 -6.030 1.00 1.00 H new ATOM 0 HA VAL A 71 5.809 -14.241 -7.437 1.00 1.00 H new ATOM 0 HB VAL A 71 6.439 -11.510 -6.262 1.00 1.00 H new ATOM 0 HG11 VAL A 71 4.045 -11.098 -6.659 1.00 1.00 H new ATOM 0 HG12 VAL A 71 4.906 -11.500 -8.164 1.00 1.00 H new ATOM 0 HG13 VAL A 71 3.887 -12.723 -7.368 1.00 1.00 H new ATOM 0 HG21 VAL A 71 4.796 -12.034 -4.500 1.00 1.00 H new ATOM 0 HG22 VAL A 71 4.672 -13.698 -5.117 1.00 1.00 H new ATOM 0 HG23 VAL A 71 6.207 -13.116 -4.431 1.00 1.00 H new ATOM 971 N HIS A 72 6.981 -13.537 -9.522 1.00 1.00 N ATOM 972 CA HIS A 72 7.565 -13.072 -10.775 1.00 1.00 C ATOM 973 C HIS A 72 6.504 -12.933 -11.866 1.00 1.00 C ATOM 974 O HIS A 72 6.116 -13.911 -12.504 1.00 1.00 O ATOM 975 CB HIS A 72 8.676 -14.024 -11.232 1.00 1.00 C ATOM 976 CG HIS A 72 8.183 -15.370 -11.671 1.00 1.00 C ATOM 977 ND1 HIS A 72 7.522 -16.242 -10.832 1.00 1.00 N ATOM 978 CD2 HIS A 72 8.255 -15.990 -12.873 1.00 1.00 C ATOM 979 CE1 HIS A 72 7.209 -17.339 -11.498 1.00 1.00 C ATOM 980 NE2 HIS A 72 7.642 -17.211 -12.738 1.00 1.00 N ATOM 0 H HIS A 72 6.423 -14.387 -9.604 1.00 1.00 H new ATOM 0 HA HIS A 72 7.995 -12.086 -10.597 1.00 1.00 H new ATOM 0 HB2 HIS A 72 9.221 -13.562 -12.055 1.00 1.00 H new ATOM 0 HB3 HIS A 72 9.385 -14.157 -10.415 1.00 1.00 H new ATOM 0 HD2 HIS A 72 8.710 -15.597 -13.770 1.00 1.00 H new ATOM 0 HE1 HIS A 72 6.687 -18.195 -11.096 1.00 1.00 H new ATOM 0 HE2 HIS A 72 7.538 -17.907 -13.477 1.00 1.00 H new ATOM 989 N CYS A 73 6.046 -11.704 -12.076 1.00 1.00 N ATOM 990 CA CYS A 73 5.039 -11.424 -13.093 1.00 1.00 C ATOM 991 C CYS A 73 5.479 -10.258 -13.970 1.00 1.00 C ATOM 992 O CYS A 73 5.401 -9.100 -13.561 1.00 1.00 O ATOM 993 CB CYS A 73 3.692 -11.108 -12.441 1.00 1.00 C ATOM 994 SG CYS A 73 2.272 -11.783 -13.332 1.00 1.00 S ATOM 0 H CYS A 73 6.357 -10.884 -11.555 1.00 1.00 H new ATOM 0 HA CYS A 73 4.927 -12.311 -13.717 1.00 1.00 H new ATOM 0 HB2 CYS A 73 3.691 -11.500 -11.424 1.00 1.00 H new ATOM 0 HB3 CYS A 73 3.581 -10.026 -12.366 1.00 1.00 H new ATOM 0 HG CYS A 73 1.399 -10.841 -13.534 1.00 1.00 H new ATOM 1000 N SER A 74 5.951 -10.566 -15.174 1.00 1.00 N ATOM 1001 CA SER A 74 6.411 -9.530 -16.091 1.00 1.00 C ATOM 1002 C SER A 74 5.279 -8.611 -16.492 1.00 1.00 C ATOM 1003 O SER A 74 5.420 -7.390 -16.422 1.00 1.00 O ATOM 1004 CB SER A 74 7.059 -10.151 -17.330 1.00 1.00 C ATOM 1005 OG SER A 74 7.931 -9.231 -17.964 1.00 1.00 O ATOM 0 H SER A 74 6.025 -11.517 -15.535 1.00 1.00 H new ATOM 0 HA SER A 74 7.160 -8.935 -15.569 1.00 1.00 H new ATOM 0 HB2 SER A 74 7.613 -11.045 -17.045 1.00 1.00 H new ATOM 0 HB3 SER A 74 6.285 -10.465 -18.030 1.00 1.00 H new ATOM 0 HG SER A 74 8.856 -9.427 -17.707 1.00 1.00 H new ATOM 1011 N ASN A 75 4.146 -9.175 -16.883 1.00 1.00 N ATOM 1012 CA ASN A 75 3.024 -8.335 -17.243 1.00 1.00 C ATOM 1013 C ASN A 75 2.028 -8.307 -16.099 1.00 1.00 C ATOM 1014 O ASN A 75 1.131 -9.145 -16.010 1.00 1.00 O ATOM 1015 CB ASN A 75 2.351 -8.854 -18.516 1.00 1.00 C ATOM 1016 CG ASN A 75 1.871 -7.731 -19.414 1.00 1.00 C ATOM 1017 OD1 ASN A 75 2.459 -6.650 -19.445 1.00 1.00 O ATOM 1018 ND2 ASN A 75 0.796 -7.982 -20.152 1.00 1.00 N ATOM 0 H ASN A 75 3.985 -10.179 -16.957 1.00 1.00 H new ATOM 0 HA ASN A 75 3.384 -7.324 -17.435 1.00 1.00 H new ATOM 0 HB2 ASN A 75 3.054 -9.480 -19.066 1.00 1.00 H new ATOM 0 HB3 ASN A 75 1.505 -9.486 -18.245 1.00 1.00 H new ATOM 0 HD21 ASN A 75 0.427 -7.264 -20.776 1.00 1.00 H new ATOM 0 HD22 ASN A 75 0.340 -8.892 -20.095 1.00 1.00 H new ATOM 1025 N ASP A 76 2.194 -7.319 -15.233 1.00 1.00 N ATOM 1026 CA ASP A 76 1.309 -7.149 -14.087 1.00 1.00 C ATOM 1027 C ASP A 76 1.424 -5.739 -13.512 1.00 1.00 C ATOM 1028 O ASP A 76 2.524 -5.197 -13.406 1.00 1.00 O ATOM 1029 CB ASP A 76 1.625 -8.188 -13.009 1.00 1.00 C ATOM 1030 CG ASP A 76 0.377 -8.872 -12.488 1.00 1.00 C ATOM 1031 OD1 ASP A 76 -0.244 -8.335 -11.547 1.00 1.00 O ATOM 1032 OD2 ASP A 76 0.020 -9.943 -13.021 1.00 1.00 O ATOM 0 H ASP A 76 2.934 -6.621 -15.301 1.00 1.00 H new ATOM 0 HA ASP A 76 0.284 -7.296 -14.427 1.00 1.00 H new ATOM 0 HB2 ASP A 76 2.304 -8.937 -13.417 1.00 1.00 H new ATOM 0 HB3 ASP A 76 2.144 -7.704 -12.182 1.00 1.00 H new ATOM 1037 N PRO A 77 0.295 -5.124 -13.117 1.00 1.00 N ATOM 1038 CA PRO A 77 0.305 -3.781 -12.541 1.00 1.00 C ATOM 1039 C PRO A 77 1.325 -3.664 -11.413 1.00 1.00 C ATOM 1040 O PRO A 77 1.875 -2.592 -11.164 1.00 1.00 O ATOM 1041 CB PRO A 77 -1.111 -3.600 -11.995 1.00 1.00 C ATOM 1042 CG PRO A 77 -1.961 -4.584 -12.720 1.00 1.00 C ATOM 1043 CD PRO A 77 -1.062 -5.692 -13.192 1.00 1.00 C ATOM 0 HA PRO A 77 0.582 -3.024 -13.275 1.00 1.00 H new ATOM 0 HB2 PRO A 77 -1.140 -3.777 -10.920 1.00 1.00 H new ATOM 0 HB3 PRO A 77 -1.465 -2.582 -12.160 1.00 1.00 H new ATOM 0 HG2 PRO A 77 -2.740 -4.974 -12.065 1.00 1.00 H new ATOM 0 HG3 PRO A 77 -2.462 -4.110 -13.564 1.00 1.00 H new ATOM 0 HD2 PRO A 77 -1.157 -6.576 -12.562 1.00 1.00 H new ATOM 0 HD3 PRO A 77 -1.309 -5.997 -14.209 1.00 1.00 H new ATOM 1051 N LEU A 78 1.574 -4.784 -10.739 1.00 1.00 N ATOM 1052 CA LEU A 78 2.531 -4.823 -9.640 1.00 1.00 C ATOM 1053 C LEU A 78 3.954 -4.678 -10.166 1.00 1.00 C ATOM 1054 O LEU A 78 4.620 -3.673 -9.914 1.00 1.00 O ATOM 1055 CB LEU A 78 2.389 -6.132 -8.862 1.00 1.00 C ATOM 1056 CG LEU A 78 2.716 -6.039 -7.371 1.00 1.00 C ATOM 1057 CD1 LEU A 78 1.718 -5.137 -6.661 1.00 1.00 C ATOM 1058 CD2 LEU A 78 2.728 -7.424 -6.742 1.00 1.00 C ATOM 0 H LEU A 78 1.124 -5.678 -10.936 1.00 1.00 H new ATOM 0 HA LEU A 78 2.322 -3.989 -8.970 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.366 -6.493 -8.972 1.00 1.00 H new ATOM 0 HB3 LEU A 78 3.041 -6.879 -9.315 1.00 1.00 H new ATOM 0 HG LEU A 78 3.709 -5.603 -7.262 1.00 1.00 H new ATOM 0 HD11 LEU A 78 1.966 -5.083 -5.601 1.00 1.00 H new ATOM 0 HD12 LEU A 78 1.758 -4.138 -7.095 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.713 -5.543 -6.778 1.00 1.00 H new ATOM 0 HD21 LEU A 78 2.962 -7.340 -5.681 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.748 -7.886 -6.862 1.00 1.00 H new ATOM 0 HD23 LEU A 78 3.482 -8.040 -7.232 1.00 1.00 H new ATOM 1070 N GLY A 79 4.414 -5.682 -10.910 1.00 1.00 N ATOM 1071 CA GLY A 79 5.752 -5.635 -11.470 1.00 1.00 C ATOM 1072 C GLY A 79 5.980 -4.372 -12.275 1.00 1.00 C ATOM 1073 O GLY A 79 7.101 -3.869 -12.359 1.00 1.00 O ATOM 0 H GLY A 79 3.884 -6.525 -11.134 1.00 1.00 H new ATOM 0 HA2 GLY A 79 6.485 -5.691 -10.665 1.00 1.00 H new ATOM 0 HA3 GLY A 79 5.911 -6.506 -12.106 1.00 1.00 H new ATOM 1077 N GLU A 80 4.903 -3.854 -12.856 1.00 1.00 N ATOM 1078 CA GLU A 80 4.968 -2.634 -13.649 1.00 1.00 C ATOM 1079 C GLU A 80 5.082 -1.416 -12.734 1.00 1.00 C ATOM 1080 O GLU A 80 5.650 -0.392 -13.112 1.00 1.00 O ATOM 1081 CB GLU A 80 3.724 -2.527 -14.542 1.00 1.00 C ATOM 1082 CG GLU A 80 3.453 -1.128 -15.077 1.00 1.00 C ATOM 1083 CD GLU A 80 4.688 -0.476 -15.670 1.00 1.00 C ATOM 1084 OE1 GLU A 80 5.611 -1.213 -16.077 1.00 1.00 O ATOM 1085 OE2 GLU A 80 4.731 0.771 -15.728 1.00 1.00 O ATOM 0 H GLU A 80 3.971 -4.263 -12.791 1.00 1.00 H new ATOM 0 HA GLU A 80 5.852 -2.667 -14.285 1.00 1.00 H new ATOM 0 HB2 GLU A 80 3.837 -3.210 -15.384 1.00 1.00 H new ATOM 0 HB3 GLU A 80 2.855 -2.861 -13.975 1.00 1.00 H new ATOM 0 HG2 GLU A 80 2.674 -1.179 -15.838 1.00 1.00 H new ATOM 0 HG3 GLU A 80 3.070 -0.503 -14.270 1.00 1.00 H new ATOM 1092 N LEU A 81 4.541 -1.542 -11.524 1.00 1.00 N ATOM 1093 CA LEU A 81 4.585 -0.459 -10.549 1.00 1.00 C ATOM 1094 C LEU A 81 5.946 -0.403 -9.866 1.00 1.00 C ATOM 1095 O LEU A 81 6.663 0.593 -9.965 1.00 1.00 O ATOM 1096 CB LEU A 81 3.487 -0.646 -9.501 1.00 1.00 C ATOM 1097 CG LEU A 81 3.429 0.439 -8.423 1.00 1.00 C ATOM 1098 CD1 LEU A 81 3.249 1.812 -9.051 1.00 1.00 C ATOM 1099 CD2 LEU A 81 2.306 0.150 -7.439 1.00 1.00 C ATOM 0 H LEU A 81 4.067 -2.384 -11.197 1.00 1.00 H new ATOM 0 HA LEU A 81 4.420 0.481 -11.076 1.00 1.00 H new ATOM 0 HB2 LEU A 81 2.523 -0.684 -10.009 1.00 1.00 H new ATOM 0 HB3 LEU A 81 3.630 -1.612 -9.016 1.00 1.00 H new ATOM 0 HG LEU A 81 4.374 0.434 -7.880 1.00 1.00 H new ATOM 0 HD11 LEU A 81 3.210 2.568 -8.267 1.00 1.00 H new ATOM 0 HD12 LEU A 81 4.087 2.021 -9.716 1.00 1.00 H new ATOM 0 HD13 LEU A 81 2.320 1.832 -9.621 1.00 1.00 H new ATOM 0 HD21 LEU A 81 2.278 0.931 -6.679 1.00 1.00 H new ATOM 0 HD22 LEU A 81 1.354 0.126 -7.970 1.00 1.00 H new ATOM 0 HD23 LEU A 81 2.479 -0.815 -6.962 1.00 1.00 H new ATOM 1111 N PHE A 82 6.296 -1.482 -9.172 1.00 1.00 N ATOM 1112 CA PHE A 82 7.574 -1.559 -8.471 1.00 1.00 C ATOM 1113 C PHE A 82 8.739 -1.377 -9.440 1.00 1.00 C ATOM 1114 O PHE A 82 9.817 -0.926 -9.051 1.00 1.00 O ATOM 1115 CB PHE A 82 7.706 -2.903 -7.749 1.00 1.00 C ATOM 1116 CG PHE A 82 6.648 -3.143 -6.707 1.00 1.00 C ATOM 1117 CD1 PHE A 82 6.153 -2.098 -5.943 1.00 1.00 C ATOM 1118 CD2 PHE A 82 6.150 -4.418 -6.492 1.00 1.00 C ATOM 1119 CE1 PHE A 82 5.181 -2.320 -4.985 1.00 1.00 C ATOM 1120 CE2 PHE A 82 5.179 -4.646 -5.535 1.00 1.00 C ATOM 1121 CZ PHE A 82 4.694 -3.596 -4.781 1.00 1.00 C ATOM 0 H PHE A 82 5.713 -2.314 -9.080 1.00 1.00 H new ATOM 0 HA PHE A 82 7.604 -0.754 -7.737 1.00 1.00 H new ATOM 0 HB2 PHE A 82 7.665 -3.705 -8.486 1.00 1.00 H new ATOM 0 HB3 PHE A 82 8.686 -2.955 -7.276 1.00 1.00 H new ATOM 0 HD1 PHE A 82 6.531 -1.098 -6.098 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.525 -5.243 -7.079 1.00 1.00 H new ATOM 0 HE1 PHE A 82 4.803 -1.497 -4.397 1.00 1.00 H new ATOM 0 HE2 PHE A 82 4.800 -5.645 -5.377 1.00 1.00 H new ATOM 0 HZ PHE A 82 3.935 -3.772 -4.033 1.00 1.00 H new ATOM 1131 N GLY A 83 8.518 -1.732 -10.702 1.00 1.00 N ATOM 1132 CA GLY A 83 9.559 -1.599 -11.703 1.00 1.00 C ATOM 1133 C GLY A 83 10.470 -2.811 -11.756 1.00 1.00 C ATOM 1134 O GLY A 83 11.665 -2.686 -12.024 1.00 1.00 O ATOM 0 H GLY A 83 7.636 -2.109 -11.049 1.00 1.00 H new ATOM 0 HA2 GLY A 83 9.102 -1.449 -12.681 1.00 1.00 H new ATOM 0 HA3 GLY A 83 10.153 -0.711 -11.489 1.00 1.00 H new ATOM 1138 N VAL A 84 9.904 -3.986 -11.501 1.00 1.00 N ATOM 1139 CA VAL A 84 10.673 -5.224 -11.521 1.00 1.00 C ATOM 1140 C VAL A 84 9.859 -6.366 -12.122 1.00 1.00 C ATOM 1141 O VAL A 84 8.654 -6.237 -12.335 1.00 1.00 O ATOM 1142 CB VAL A 84 11.132 -5.624 -10.106 1.00 1.00 C ATOM 1143 CG1 VAL A 84 12.092 -4.587 -9.543 1.00 1.00 C ATOM 1144 CG2 VAL A 84 9.934 -5.807 -9.187 1.00 1.00 C ATOM 0 H VAL A 84 8.916 -4.106 -11.278 1.00 1.00 H new ATOM 0 HA VAL A 84 11.551 -5.041 -12.140 1.00 1.00 H new ATOM 0 HB VAL A 84 11.659 -6.576 -10.171 1.00 1.00 H new ATOM 0 HG11 VAL A 84 12.405 -4.886 -8.543 1.00 1.00 H new ATOM 0 HG12 VAL A 84 12.966 -4.511 -10.190 1.00 1.00 H new ATOM 0 HG13 VAL A 84 11.593 -3.619 -9.492 1.00 1.00 H new ATOM 0 HG21 VAL A 84 10.278 -6.089 -8.192 1.00 1.00 H new ATOM 0 HG22 VAL A 84 9.376 -4.873 -9.126 1.00 1.00 H new ATOM 0 HG23 VAL A 84 9.288 -6.590 -9.583 1.00 1.00 H new ATOM 1154 N GLN A 85 10.526 -7.483 -12.394 1.00 1.00 N ATOM 1155 CA GLN A 85 9.866 -8.647 -12.970 1.00 1.00 C ATOM 1156 C GLN A 85 9.653 -9.729 -11.915 1.00 1.00 C ATOM 1157 O GLN A 85 8.690 -10.493 -11.982 1.00 1.00 O ATOM 1158 CB GLN A 85 10.695 -9.199 -14.132 1.00 1.00 C ATOM 1159 CG GLN A 85 10.147 -10.491 -14.715 1.00 1.00 C ATOM 1160 CD GLN A 85 10.767 -10.837 -16.054 1.00 1.00 C ATOM 1161 OE1 GLN A 85 10.799 -10.012 -16.968 1.00 1.00 O ATOM 1162 NE2 GLN A 85 11.264 -12.062 -16.178 1.00 1.00 N ATOM 0 H GLN A 85 11.524 -7.606 -12.224 1.00 1.00 H new ATOM 0 HA GLN A 85 8.890 -8.338 -13.344 1.00 1.00 H new ATOM 0 HB2 GLN A 85 10.745 -8.448 -14.920 1.00 1.00 H new ATOM 0 HB3 GLN A 85 11.716 -9.370 -13.789 1.00 1.00 H new ATOM 0 HG2 GLN A 85 10.327 -11.306 -14.014 1.00 1.00 H new ATOM 0 HG3 GLN A 85 9.067 -10.403 -14.831 1.00 1.00 H new ATOM 0 HE21 GLN A 85 11.216 -12.714 -15.395 1.00 1.00 H new ATOM 0 HE22 GLN A 85 11.694 -12.352 -17.057 1.00 1.00 H new ATOM 1171 N GLU A 86 10.557 -9.788 -10.942 1.00 1.00 N ATOM 1172 CA GLU A 86 10.466 -10.777 -9.873 1.00 1.00 C ATOM 1173 C GLU A 86 10.887 -10.174 -8.537 1.00 1.00 C ATOM 1174 O GLU A 86 11.690 -9.243 -8.492 1.00 1.00 O ATOM 1175 CB GLU A 86 11.339 -11.991 -10.196 1.00 1.00 C ATOM 1176 CG GLU A 86 12.757 -11.628 -10.608 1.00 1.00 C ATOM 1177 CD GLU A 86 13.386 -12.670 -11.513 1.00 1.00 C ATOM 1178 OE1 GLU A 86 13.193 -13.876 -11.253 1.00 1.00 O ATOM 1179 OE2 GLU A 86 14.071 -12.279 -12.481 1.00 1.00 O ATOM 0 H GLU A 86 11.360 -9.163 -10.872 1.00 1.00 H new ATOM 0 HA GLU A 86 9.427 -11.097 -9.796 1.00 1.00 H new ATOM 0 HB2 GLU A 86 11.379 -12.642 -9.323 1.00 1.00 H new ATOM 0 HB3 GLU A 86 10.871 -12.562 -10.998 1.00 1.00 H new ATOM 0 HG2 GLU A 86 12.748 -10.666 -11.120 1.00 1.00 H new ATOM 0 HG3 GLU A 86 13.371 -11.509 -9.716 1.00 1.00 H new ATOM 1186 N PHE A 87 10.340 -10.711 -7.451 1.00 1.00 N ATOM 1187 CA PHE A 87 10.664 -10.220 -6.116 1.00 1.00 C ATOM 1188 C PHE A 87 10.288 -11.243 -5.049 1.00 1.00 C ATOM 1189 O PHE A 87 9.134 -11.660 -4.953 1.00 1.00 O ATOM 1190 CB PHE A 87 9.948 -8.894 -5.844 1.00 1.00 C ATOM 1191 CG PHE A 87 8.452 -9.018 -5.765 1.00 1.00 C ATOM 1192 CD1 PHE A 87 7.829 -9.275 -4.554 1.00 1.00 C ATOM 1193 CD2 PHE A 87 7.670 -8.875 -6.900 1.00 1.00 C ATOM 1194 CE1 PHE A 87 6.454 -9.387 -4.477 1.00 1.00 C ATOM 1195 CE2 PHE A 87 6.295 -8.986 -6.829 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.686 -9.242 -5.616 1.00 1.00 C ATOM 0 H PHE A 87 9.673 -11.483 -7.468 1.00 1.00 H new ATOM 0 HA PHE A 87 11.741 -10.057 -6.072 1.00 1.00 H new ATOM 0 HB2 PHE A 87 10.319 -8.477 -4.908 1.00 1.00 H new ATOM 0 HB3 PHE A 87 10.204 -8.185 -6.632 1.00 1.00 H new ATOM 0 HD1 PHE A 87 8.425 -9.389 -3.661 1.00 1.00 H new ATOM 0 HD2 PHE A 87 8.141 -8.674 -7.851 1.00 1.00 H new ATOM 0 HE1 PHE A 87 5.980 -9.588 -3.527 1.00 1.00 H new ATOM 0 HE2 PHE A 87 5.697 -8.873 -7.721 1.00 1.00 H new ATOM 0 HZ PHE A 87 4.611 -9.329 -5.558 1.00 1.00 H new ATOM 1206 N SER A 88 11.269 -11.637 -4.243 1.00 1.00 N ATOM 1207 CA SER A 88 11.039 -12.605 -3.178 1.00 1.00 C ATOM 1208 C SER A 88 10.511 -11.909 -1.928 1.00 1.00 C ATOM 1209 O SER A 88 11.173 -11.038 -1.365 1.00 1.00 O ATOM 1210 CB SER A 88 12.332 -13.354 -2.852 1.00 1.00 C ATOM 1211 OG SER A 88 12.057 -14.647 -2.340 1.00 1.00 O ATOM 0 H SER A 88 12.230 -11.301 -4.308 1.00 1.00 H new ATOM 0 HA SER A 88 10.293 -13.322 -3.521 1.00 1.00 H new ATOM 0 HB2 SER A 88 12.944 -13.438 -3.750 1.00 1.00 H new ATOM 0 HB3 SER A 88 12.911 -12.786 -2.123 1.00 1.00 H new ATOM 0 HG SER A 88 12.900 -15.106 -2.141 1.00 1.00 H new ATOM 1217 N VAL A 89 9.312 -12.294 -1.502 1.00 1.00 N ATOM 1218 CA VAL A 89 8.698 -11.697 -0.320 1.00 1.00 C ATOM 1219 C VAL A 89 9.535 -11.942 0.934 1.00 1.00 C ATOM 1220 O VAL A 89 9.348 -11.273 1.950 1.00 1.00 O ATOM 1221 CB VAL A 89 7.270 -12.226 -0.084 1.00 1.00 C ATOM 1222 CG1 VAL A 89 6.284 -11.500 -0.981 1.00 1.00 C ATOM 1223 CG2 VAL A 89 7.195 -13.728 -0.308 1.00 1.00 C ATOM 0 H VAL A 89 8.748 -13.013 -1.955 1.00 1.00 H new ATOM 0 HA VAL A 89 8.649 -10.625 -0.513 1.00 1.00 H new ATOM 0 HB VAL A 89 7.005 -12.032 0.955 1.00 1.00 H new ATOM 0 HG11 VAL A 89 5.279 -11.884 -0.803 1.00 1.00 H new ATOM 0 HG12 VAL A 89 6.309 -10.433 -0.760 1.00 1.00 H new ATOM 0 HG13 VAL A 89 6.555 -11.661 -2.025 1.00 1.00 H new ATOM 0 HG21 VAL A 89 6.175 -14.071 -0.134 1.00 1.00 H new ATOM 0 HG22 VAL A 89 7.485 -13.958 -1.333 1.00 1.00 H new ATOM 0 HG23 VAL A 89 7.871 -14.233 0.382 1.00 1.00 H new ATOM 1233 N LYS A 90 10.458 -12.898 0.860 1.00 1.00 N ATOM 1234 CA LYS A 90 11.320 -13.218 1.995 1.00 1.00 C ATOM 1235 C LYS A 90 11.978 -11.958 2.555 1.00 1.00 C ATOM 1236 O LYS A 90 12.282 -11.881 3.745 1.00 1.00 O ATOM 1237 CB LYS A 90 12.393 -14.225 1.579 1.00 1.00 C ATOM 1238 CG LYS A 90 13.314 -14.638 2.716 1.00 1.00 C ATOM 1239 CD LYS A 90 14.391 -15.599 2.238 1.00 1.00 C ATOM 1240 CE LYS A 90 13.885 -17.031 2.204 1.00 1.00 C ATOM 1241 NZ LYS A 90 14.621 -17.857 1.207 1.00 1.00 N ATOM 0 H LYS A 90 10.628 -13.463 0.028 1.00 1.00 H new ATOM 0 HA LYS A 90 10.700 -13.659 2.776 1.00 1.00 H new ATOM 0 HB2 LYS A 90 11.908 -15.113 1.174 1.00 1.00 H new ATOM 0 HB3 LYS A 90 12.991 -13.795 0.776 1.00 1.00 H new ATOM 0 HG2 LYS A 90 13.780 -13.753 3.148 1.00 1.00 H new ATOM 0 HG3 LYS A 90 12.730 -15.108 3.507 1.00 1.00 H new ATOM 0 HD2 LYS A 90 14.725 -15.306 1.243 1.00 1.00 H new ATOM 0 HD3 LYS A 90 15.257 -15.534 2.897 1.00 1.00 H new ATOM 0 HE2 LYS A 90 13.990 -17.477 3.193 1.00 1.00 H new ATOM 0 HE3 LYS A 90 12.822 -17.035 1.964 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 14.246 -18.827 1.215 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 14.500 -17.447 0.259 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 15.632 -17.875 1.450 1.00 1.00 H new ATOM 1255 N GLU A 91 12.189 -10.973 1.688 1.00 1.00 N ATOM 1256 CA GLU A 91 12.806 -9.715 2.094 1.00 1.00 C ATOM 1257 C GLU A 91 11.742 -8.657 2.370 1.00 1.00 C ATOM 1258 O GLU A 91 11.439 -7.828 1.512 1.00 1.00 O ATOM 1259 CB GLU A 91 13.766 -9.220 1.011 1.00 1.00 C ATOM 1260 CG GLU A 91 14.882 -10.202 0.692 1.00 1.00 C ATOM 1261 CD GLU A 91 16.006 -9.568 -0.104 1.00 1.00 C ATOM 1262 OE1 GLU A 91 16.886 -8.933 0.514 1.00 1.00 O ATOM 1263 OE2 GLU A 91 16.007 -9.707 -1.345 1.00 1.00 O ATOM 0 H GLU A 91 11.942 -11.022 0.700 1.00 1.00 H new ATOM 0 HA GLU A 91 13.367 -9.891 3.012 1.00 1.00 H new ATOM 0 HB2 GLU A 91 13.201 -9.017 0.101 1.00 1.00 H new ATOM 0 HB3 GLU A 91 14.205 -8.275 1.331 1.00 1.00 H new ATOM 0 HG2 GLU A 91 15.283 -10.605 1.622 1.00 1.00 H new ATOM 0 HG3 GLU A 91 14.473 -11.042 0.130 1.00 1.00 H new ATOM 1270 N HIS A 92 11.177 -8.694 3.572 1.00 1.00 N ATOM 1271 CA HIS A 92 10.143 -7.742 3.962 1.00 1.00 C ATOM 1272 C HIS A 92 10.651 -6.307 3.867 1.00 1.00 C ATOM 1273 O HIS A 92 9.923 -5.407 3.448 1.00 1.00 O ATOM 1274 CB HIS A 92 9.667 -8.032 5.387 1.00 1.00 C ATOM 1275 CG HIS A 92 8.806 -9.252 5.493 1.00 1.00 C ATOM 1276 ND1 HIS A 92 8.508 -9.861 6.695 1.00 1.00 N ATOM 1277 CD2 HIS A 92 8.175 -9.978 4.540 1.00 1.00 C ATOM 1278 CE1 HIS A 92 7.734 -10.909 6.475 1.00 1.00 C ATOM 1279 NE2 HIS A 92 7.516 -11.001 5.176 1.00 1.00 N ATOM 0 H HIS A 92 11.418 -9.373 4.294 1.00 1.00 H new ATOM 0 HA HIS A 92 9.306 -7.855 3.273 1.00 1.00 H new ATOM 0 HB2 HIS A 92 10.536 -8.153 6.034 1.00 1.00 H new ATOM 0 HB3 HIS A 92 9.111 -7.171 5.758 1.00 1.00 H new ATOM 0 HD2 HIS A 92 8.188 -9.788 3.477 1.00 1.00 H new ATOM 0 HE1 HIS A 92 7.346 -11.577 7.230 1.00 1.00 H new ATOM 0 HE2 HIS A 92 6.950 -11.716 4.719 1.00 1.00 H new ATOM 1288 N ARG A 93 11.904 -6.099 4.259 1.00 1.00 N ATOM 1289 CA ARG A 93 12.508 -4.771 4.220 1.00 1.00 C ATOM 1290 C ARG A 93 12.449 -4.181 2.814 1.00 1.00 C ATOM 1291 O ARG A 93 12.138 -3.003 2.637 1.00 1.00 O ATOM 1292 CB ARG A 93 13.960 -4.835 4.699 1.00 1.00 C ATOM 1293 CG ARG A 93 14.122 -4.559 6.186 1.00 1.00 C ATOM 1294 CD ARG A 93 15.350 -5.254 6.753 1.00 1.00 C ATOM 1295 NE ARG A 93 15.037 -6.025 7.954 1.00 1.00 N ATOM 1296 CZ ARG A 93 15.957 -6.562 8.751 1.00 1.00 C ATOM 1297 NH1 ARG A 93 17.248 -6.415 8.480 1.00 1.00 N ATOM 1298 NH2 ARG A 93 15.585 -7.249 9.823 1.00 1.00 N ATOM 0 H ARG A 93 12.521 -6.833 4.607 1.00 1.00 H new ATOM 0 HA ARG A 93 11.939 -4.123 4.887 1.00 1.00 H new ATOM 0 HB2 ARG A 93 14.365 -5.822 4.475 1.00 1.00 H new ATOM 0 HB3 ARG A 93 14.552 -4.112 4.137 1.00 1.00 H new ATOM 0 HG2 ARG A 93 14.203 -3.485 6.351 1.00 1.00 H new ATOM 0 HG3 ARG A 93 13.233 -4.897 6.719 1.00 1.00 H new ATOM 0 HD2 ARG A 93 15.773 -5.916 5.997 1.00 1.00 H new ATOM 0 HD3 ARG A 93 16.111 -4.510 6.988 1.00 1.00 H new ATOM 0 HE ARG A 93 14.055 -6.159 8.196 1.00 1.00 H new ATOM 0 HH11 ARG A 93 17.540 -5.888 7.657 1.00 1.00 H new ATOM 0 HH12 ARG A 93 17.949 -6.829 9.095 1.00 1.00 H new ATOM 0 HH21 ARG A 93 14.594 -7.365 10.036 1.00 1.00 H new ATOM 0 HH22 ARG A 93 16.290 -7.661 10.435 1.00 1.00 H new ATOM 1312 N ARG A 94 12.750 -5.006 1.817 1.00 1.00 N ATOM 1313 CA ARG A 94 12.732 -4.564 0.427 1.00 1.00 C ATOM 1314 C ARG A 94 11.340 -4.091 0.020 1.00 1.00 C ATOM 1315 O ARG A 94 11.186 -3.024 -0.574 1.00 1.00 O ATOM 1316 CB ARG A 94 13.189 -5.695 -0.496 1.00 1.00 C ATOM 1317 CG ARG A 94 13.513 -5.235 -1.908 1.00 1.00 C ATOM 1318 CD ARG A 94 14.250 -6.309 -2.690 1.00 1.00 C ATOM 1319 NE ARG A 94 14.464 -5.922 -4.082 1.00 1.00 N ATOM 1320 CZ ARG A 94 15.366 -6.490 -4.880 1.00 1.00 C ATOM 1321 NH1 ARG A 94 16.140 -7.469 -4.427 1.00 1.00 N ATOM 1322 NH2 ARG A 94 15.496 -6.077 -6.133 1.00 1.00 N ATOM 0 H ARG A 94 13.009 -5.984 1.945 1.00 1.00 H new ATOM 0 HA ARG A 94 13.421 -3.725 0.332 1.00 1.00 H new ATOM 0 HB2 ARG A 94 14.071 -6.170 -0.066 1.00 1.00 H new ATOM 0 HB3 ARG A 94 12.408 -6.454 -0.540 1.00 1.00 H new ATOM 0 HG2 ARG A 94 12.591 -4.974 -2.427 1.00 1.00 H new ATOM 0 HG3 ARG A 94 14.122 -4.332 -1.867 1.00 1.00 H new ATOM 0 HD2 ARG A 94 15.212 -6.507 -2.217 1.00 1.00 H new ATOM 0 HD3 ARG A 94 13.681 -7.238 -2.655 1.00 1.00 H new ATOM 0 HE ARG A 94 13.888 -5.172 -4.466 1.00 1.00 H new ATOM 0 HH11 ARG A 94 16.045 -7.790 -3.463 1.00 1.00 H new ATOM 0 HH12 ARG A 94 16.829 -7.901 -5.043 1.00 1.00 H new ATOM 0 HH21 ARG A 94 14.905 -5.324 -6.486 1.00 1.00 H new ATOM 0 HH22 ARG A 94 16.187 -6.512 -6.744 1.00 1.00 H new ATOM 1336 N ILE A 95 10.329 -4.892 0.340 1.00 1.00 N ATOM 1337 CA ILE A 95 8.952 -4.554 0.004 1.00 1.00 C ATOM 1338 C ILE A 95 8.508 -3.278 0.713 1.00 1.00 C ATOM 1339 O ILE A 95 8.061 -2.325 0.074 1.00 1.00 O ATOM 1340 CB ILE A 95 7.988 -5.698 0.369 1.00 1.00 C ATOM 1341 CG1 ILE A 95 8.469 -7.009 -0.257 1.00 1.00 C ATOM 1342 CG2 ILE A 95 6.573 -5.366 -0.088 1.00 1.00 C ATOM 1343 CD1 ILE A 95 7.505 -8.159 -0.074 1.00 1.00 C ATOM 0 H ILE A 95 10.438 -5.779 0.831 1.00 1.00 H new ATOM 0 HA ILE A 95 8.920 -4.394 -1.074 1.00 1.00 H new ATOM 0 HB ILE A 95 7.975 -5.817 1.452 1.00 1.00 H new ATOM 0 HG12 ILE A 95 8.636 -6.853 -1.323 1.00 1.00 H new ATOM 0 HG13 ILE A 95 9.430 -7.279 0.180 1.00 1.00 H new ATOM 0 HG21 ILE A 95 5.904 -6.184 0.177 1.00 1.00 H new ATOM 0 HG22 ILE A 95 6.238 -4.451 0.400 1.00 1.00 H new ATOM 0 HG23 ILE A 95 6.563 -5.225 -1.169 1.00 1.00 H new ATOM 0 HD11 ILE A 95 7.913 -9.054 -0.544 1.00 1.00 H new ATOM 0 HD12 ILE A 95 7.356 -8.343 0.990 1.00 1.00 H new ATOM 0 HD13 ILE A 95 6.550 -7.910 -0.536 1.00 1.00 H new ATOM 1355 N TYR A 96 8.636 -3.267 2.037 1.00 1.00 N ATOM 1356 CA TYR A 96 8.252 -2.108 2.842 1.00 1.00 C ATOM 1357 C TYR A 96 8.756 -0.806 2.218 1.00 1.00 C ATOM 1358 O TYR A 96 8.141 0.249 2.376 1.00 1.00 O ATOM 1359 CB TYR A 96 8.811 -2.246 4.261 1.00 1.00 C ATOM 1360 CG TYR A 96 7.821 -2.803 5.260 1.00 1.00 C ATOM 1361 CD1 TYR A 96 7.628 -4.173 5.387 1.00 1.00 C ATOM 1362 CD2 TYR A 96 7.084 -1.959 6.081 1.00 1.00 C ATOM 1363 CE1 TYR A 96 6.728 -4.686 6.302 1.00 1.00 C ATOM 1364 CE2 TYR A 96 6.183 -2.463 6.999 1.00 1.00 C ATOM 1365 CZ TYR A 96 6.009 -3.827 7.106 1.00 1.00 C ATOM 1366 OH TYR A 96 5.112 -4.333 8.019 1.00 1.00 O ATOM 0 H TYR A 96 9.004 -4.050 2.578 1.00 1.00 H new ATOM 0 HA TYR A 96 7.163 -2.072 2.878 1.00 1.00 H new ATOM 0 HB2 TYR A 96 9.688 -2.893 4.234 1.00 1.00 H new ATOM 0 HB3 TYR A 96 9.147 -1.268 4.605 1.00 1.00 H new ATOM 0 HD1 TYR A 96 8.191 -4.849 4.760 1.00 1.00 H new ATOM 0 HD2 TYR A 96 7.218 -0.890 6.000 1.00 1.00 H new ATOM 0 HE1 TYR A 96 6.589 -5.754 6.387 1.00 1.00 H new ATOM 0 HE2 TYR A 96 5.618 -1.793 7.629 1.00 1.00 H new ATOM 0 HH TYR A 96 4.690 -3.595 8.506 1.00 1.00 H new ATOM 1376 N ALA A 97 9.883 -0.890 1.518 1.00 1.00 N ATOM 1377 CA ALA A 97 10.478 0.279 0.881 1.00 1.00 C ATOM 1378 C ALA A 97 9.747 0.663 -0.403 1.00 1.00 C ATOM 1379 O ALA A 97 9.265 1.788 -0.538 1.00 1.00 O ATOM 1380 CB ALA A 97 11.949 0.024 0.592 1.00 1.00 C ATOM 0 H ALA A 97 10.403 -1.756 1.378 1.00 1.00 H new ATOM 0 HA ALA A 97 10.384 1.115 1.574 1.00 1.00 H new ATOM 0 HB1 ALA A 97 12.384 0.903 0.116 1.00 1.00 H new ATOM 0 HB2 ALA A 97 12.473 -0.180 1.526 1.00 1.00 H new ATOM 0 HB3 ALA A 97 12.046 -0.834 -0.073 1.00 1.00 H new ATOM 1386 N MET A 98 9.680 -0.267 -1.351 1.00 1.00 N ATOM 1387 CA MET A 98 9.021 -0.008 -2.628 1.00 1.00 C ATOM 1388 C MET A 98 7.553 0.370 -2.434 1.00 1.00 C ATOM 1389 O MET A 98 7.037 1.257 -3.116 1.00 1.00 O ATOM 1390 CB MET A 98 9.152 -1.224 -3.552 1.00 1.00 C ATOM 1391 CG MET A 98 8.227 -2.378 -3.206 1.00 1.00 C ATOM 1392 SD MET A 98 8.921 -3.975 -3.677 1.00 1.00 S ATOM 1393 CE MET A 98 7.494 -5.039 -3.485 1.00 1.00 C ATOM 0 H MET A 98 10.072 -1.204 -1.260 1.00 1.00 H new ATOM 0 HA MET A 98 9.519 0.841 -3.096 1.00 1.00 H new ATOM 0 HB2 MET A 98 8.953 -0.910 -4.577 1.00 1.00 H new ATOM 0 HB3 MET A 98 10.182 -1.579 -3.522 1.00 1.00 H new ATOM 0 HG2 MET A 98 8.028 -2.373 -2.134 1.00 1.00 H new ATOM 0 HG3 MET A 98 7.270 -2.237 -3.709 1.00 1.00 H new ATOM 0 HE1 MET A 98 7.686 -5.766 -2.696 1.00 1.00 H new ATOM 0 HE2 MET A 98 6.625 -4.437 -3.220 1.00 1.00 H new ATOM 0 HE3 MET A 98 7.302 -5.562 -4.422 1.00 1.00 H new ATOM 1403 N ILE A 99 6.885 -0.298 -1.499 1.00 1.00 N ATOM 1404 CA ILE A 99 5.481 -0.018 -1.222 1.00 1.00 C ATOM 1405 C ILE A 99 5.309 1.382 -0.643 1.00 1.00 C ATOM 1406 O ILE A 99 4.320 2.062 -0.920 1.00 1.00 O ATOM 1407 CB ILE A 99 4.883 -1.045 -0.242 1.00 1.00 C ATOM 1408 CG1 ILE A 99 5.705 -1.093 1.047 1.00 1.00 C ATOM 1409 CG2 ILE A 99 4.819 -2.420 -0.890 1.00 1.00 C ATOM 1410 CD1 ILE A 99 5.087 -0.312 2.186 1.00 1.00 C ATOM 0 H ILE A 99 7.292 -1.034 -0.922 1.00 1.00 H new ATOM 0 HA ILE A 99 4.950 -0.086 -2.172 1.00 1.00 H new ATOM 0 HB ILE A 99 3.868 -0.737 0.010 1.00 1.00 H new ATOM 0 HG12 ILE A 99 5.826 -2.132 1.353 1.00 1.00 H new ATOM 0 HG13 ILE A 99 6.702 -0.701 0.847 1.00 1.00 H new ATOM 0 HG21 ILE A 99 4.394 -3.135 -0.185 1.00 1.00 H new ATOM 0 HG22 ILE A 99 4.193 -2.373 -1.781 1.00 1.00 H new ATOM 0 HG23 ILE A 99 5.824 -2.738 -1.168 1.00 1.00 H new ATOM 0 HD11 ILE A 99 5.723 -0.390 3.068 1.00 1.00 H new ATOM 0 HD12 ILE A 99 4.991 0.735 1.899 1.00 1.00 H new ATOM 0 HD13 ILE A 99 4.101 -0.718 2.413 1.00 1.00 H new ATOM 1422 N SER A 100 6.279 1.810 0.159 1.00 1.00 N ATOM 1423 CA SER A 100 6.235 3.132 0.773 1.00 1.00 C ATOM 1424 C SER A 100 6.393 4.223 -0.281 1.00 1.00 C ATOM 1425 O SER A 100 5.735 5.261 -0.218 1.00 1.00 O ATOM 1426 CB SER A 100 7.332 3.264 1.831 1.00 1.00 C ATOM 1427 OG SER A 100 7.526 4.619 2.198 1.00 1.00 O ATOM 0 H SER A 100 7.104 1.261 0.399 1.00 1.00 H new ATOM 0 HA SER A 100 5.264 3.252 1.253 1.00 1.00 H new ATOM 0 HB2 SER A 100 7.064 2.680 2.712 1.00 1.00 H new ATOM 0 HB3 SER A 100 8.264 2.851 1.446 1.00 1.00 H new ATOM 0 HG SER A 100 8.231 4.676 2.876 1.00 1.00 H new ATOM 1433 N ARG A 101 7.268 3.980 -1.252 1.00 1.00 N ATOM 1434 CA ARG A 101 7.507 4.941 -2.322 1.00 1.00 C ATOM 1435 C ARG A 101 6.315 5.014 -3.275 1.00 1.00 C ATOM 1436 O ARG A 101 6.243 5.903 -4.123 1.00 1.00 O ATOM 1437 CB ARG A 101 8.770 4.565 -3.100 1.00 1.00 C ATOM 1438 CG ARG A 101 9.974 4.296 -2.213 1.00 1.00 C ATOM 1439 CD ARG A 101 10.947 3.334 -2.874 1.00 1.00 C ATOM 1440 NE ARG A 101 11.852 4.019 -3.795 1.00 1.00 N ATOM 1441 CZ ARG A 101 12.842 3.414 -4.448 1.00 1.00 C ATOM 1442 NH1 ARG A 101 13.058 2.115 -4.285 1.00 1.00 N ATOM 1443 NH2 ARG A 101 13.617 4.111 -5.267 1.00 1.00 N ATOM 0 H ARG A 101 7.823 3.127 -1.319 1.00 1.00 H new ATOM 0 HA ARG A 101 7.643 5.922 -1.866 1.00 1.00 H new ATOM 0 HB2 ARG A 101 8.566 3.678 -3.700 1.00 1.00 H new ATOM 0 HB3 ARG A 101 9.013 5.370 -3.793 1.00 1.00 H new ATOM 0 HG2 ARG A 101 10.482 5.235 -1.992 1.00 1.00 H new ATOM 0 HG3 ARG A 101 9.641 3.882 -1.261 1.00 1.00 H new ATOM 0 HD2 ARG A 101 11.529 2.822 -2.107 1.00 1.00 H new ATOM 0 HD3 ARG A 101 10.390 2.569 -3.415 1.00 1.00 H new ATOM 0 HE ARG A 101 11.717 5.019 -3.946 1.00 1.00 H new ATOM 0 HH11 ARG A 101 12.464 1.574 -3.657 1.00 1.00 H new ATOM 0 HH12 ARG A 101 13.818 1.657 -4.788 1.00 1.00 H new ATOM 0 HH21 ARG A 101 13.455 5.110 -5.396 1.00 1.00 H new ATOM 0 HH22 ARG A 101 14.376 3.649 -5.768 1.00 1.00 H new ATOM 1457 N ASN A 102 5.381 4.075 -3.133 1.00 1.00 N ATOM 1458 CA ASN A 102 4.197 4.038 -3.985 1.00 1.00 C ATOM 1459 C ASN A 102 3.042 4.830 -3.373 1.00 1.00 C ATOM 1460 O ASN A 102 1.877 4.571 -3.672 1.00 1.00 O ATOM 1461 CB ASN A 102 3.767 2.589 -4.219 1.00 1.00 C ATOM 1462 CG ASN A 102 4.629 1.892 -5.252 1.00 1.00 C ATOM 1463 OD1 ASN A 102 5.450 2.521 -5.920 1.00 1.00 O ATOM 1464 ND2 ASN A 102 4.446 0.585 -5.389 1.00 1.00 N ATOM 0 H ASN A 102 5.422 3.331 -2.436 1.00 1.00 H new ATOM 0 HA ASN A 102 4.455 4.501 -4.938 1.00 1.00 H new ATOM 0 HB2 ASN A 102 3.817 2.041 -3.278 1.00 1.00 H new ATOM 0 HB3 ASN A 102 2.727 2.569 -4.544 1.00 1.00 H new ATOM 0 HD21 ASN A 102 4.997 0.061 -6.069 1.00 1.00 H new ATOM 0 HD22 ASN A 102 3.754 0.104 -4.814 1.00 1.00 H new ATOM 1471 N LEU A 103 3.369 5.797 -2.518 1.00 1.00 N ATOM 1472 CA LEU A 103 2.353 6.622 -1.873 1.00 1.00 C ATOM 1473 C LEU A 103 2.560 8.096 -2.210 1.00 1.00 C ATOM 1474 O LEU A 103 3.535 8.709 -1.776 1.00 1.00 O ATOM 1475 CB LEU A 103 2.389 6.425 -0.356 1.00 1.00 C ATOM 1476 CG LEU A 103 2.706 5.002 0.109 1.00 1.00 C ATOM 1477 CD1 LEU A 103 3.259 5.015 1.526 1.00 1.00 C ATOM 1478 CD2 LEU A 103 1.465 4.126 0.025 1.00 1.00 C ATOM 0 H LEU A 103 4.328 6.027 -2.257 1.00 1.00 H new ATOM 0 HA LEU A 103 1.377 6.312 -2.248 1.00 1.00 H new ATOM 0 HB2 LEU A 103 3.133 7.102 0.065 1.00 1.00 H new ATOM 0 HB3 LEU A 103 1.423 6.718 0.055 1.00 1.00 H new ATOM 0 HG LEU A 103 3.466 4.584 -0.551 1.00 1.00 H new ATOM 0 HD11 LEU A 103 3.479 3.995 1.840 1.00 1.00 H new ATOM 0 HD12 LEU A 103 4.173 5.608 1.554 1.00 1.00 H new ATOM 0 HD13 LEU A 103 2.522 5.451 2.200 1.00 1.00 H new ATOM 0 HD21 LEU A 103 1.708 3.117 0.359 1.00 1.00 H new ATOM 0 HD22 LEU A 103 0.683 4.541 0.661 1.00 1.00 H new ATOM 0 HD23 LEU A 103 1.113 4.091 -1.006 1.00 1.00 H new ATOM 1490 N VAL A 104 1.641 8.658 -2.990 1.00 1.00 N ATOM 1491 CA VAL A 104 1.733 10.061 -3.387 1.00 1.00 C ATOM 1492 C VAL A 104 1.820 10.983 -2.168 1.00 1.00 C ATOM 1493 O VAL A 104 2.868 11.573 -1.905 1.00 1.00 O ATOM 1494 CB VAL A 104 0.547 10.494 -4.281 1.00 1.00 C ATOM 1495 CG1 VAL A 104 0.847 10.185 -5.740 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -0.753 9.823 -3.850 1.00 1.00 C ATOM 0 H VAL A 104 0.827 8.166 -3.359 1.00 1.00 H new ATOM 0 HA VAL A 104 2.650 10.154 -3.969 1.00 1.00 H new ATOM 0 HB VAL A 104 0.417 11.570 -4.166 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.004 10.495 -6.358 1.00 1.00 H new ATOM 0 HG12 VAL A 104 1.742 10.725 -6.050 1.00 1.00 H new ATOM 0 HG13 VAL A 104 1.010 9.114 -5.859 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -1.564 10.150 -4.500 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -0.645 8.741 -3.922 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -0.980 10.098 -2.820 1.00 1.00 H new ATOM 1506 N SER A 105 0.722 11.103 -1.427 1.00 1.00 N ATOM 1507 CA SER A 105 0.689 11.952 -0.241 1.00 1.00 C ATOM 1508 C SER A 105 0.661 11.110 1.032 1.00 1.00 C ATOM 1509 O SER A 105 0.196 9.970 1.024 1.00 1.00 O ATOM 1510 CB SER A 105 -0.530 12.875 -0.283 1.00 1.00 C ATOM 1511 OG SER A 105 -1.721 12.160 -0.005 1.00 1.00 O ATOM 0 H SER A 105 -0.156 10.623 -1.627 1.00 1.00 H new ATOM 0 HA SER A 105 1.595 12.558 -0.234 1.00 1.00 H new ATOM 0 HB2 SER A 105 -0.407 13.679 0.443 1.00 1.00 H new ATOM 0 HB3 SER A 105 -0.603 13.341 -1.265 1.00 1.00 H new ATOM 0 HG SER A 105 -2.485 12.773 -0.036 1.00 1.00 H new ATOM 1517 N ALA A 106 1.159 11.681 2.125 1.00 1.00 N ATOM 1518 CA ALA A 106 1.190 10.985 3.407 1.00 1.00 C ATOM 1519 C ALA A 106 0.257 11.650 4.415 1.00 1.00 C ATOM 1520 O ALA A 106 0.090 12.870 4.410 1.00 1.00 O ATOM 1521 CB ALA A 106 2.611 10.944 3.949 1.00 1.00 C ATOM 0 H ALA A 106 1.547 12.624 2.148 1.00 1.00 H new ATOM 0 HA ALA A 106 0.843 9.964 3.248 1.00 1.00 H new ATOM 0 HB1 ALA A 106 2.621 10.422 4.906 1.00 1.00 H new ATOM 0 HB2 ALA A 106 3.255 10.419 3.243 1.00 1.00 H new ATOM 0 HB3 ALA A 106 2.977 11.961 4.087 1.00 1.00 H new ATOM 1527 N ASN A 107 -0.348 10.841 5.280 1.00 1.00 N ATOM 1528 CA ASN A 107 -1.265 11.351 6.295 1.00 1.00 C ATOM 1529 C ASN A 107 -0.576 12.374 7.195 1.00 1.00 C ATOM 1530 O ASN A 107 0.629 12.295 7.433 1.00 1.00 O ATOM 1531 CB ASN A 107 -1.812 10.200 7.145 1.00 1.00 C ATOM 1532 CG ASN A 107 -0.731 9.221 7.561 1.00 1.00 C ATOM 1533 OD1 ASN A 107 -0.453 8.250 6.857 1.00 1.00 O ATOM 1534 ND2 ASN A 107 -0.114 9.473 8.709 1.00 1.00 N ATOM 0 H ASN A 107 -0.220 9.829 5.299 1.00 1.00 H new ATOM 0 HA ASN A 107 -2.091 11.843 5.782 1.00 1.00 H new ATOM 0 HB2 ASN A 107 -2.292 10.606 8.035 1.00 1.00 H new ATOM 0 HB3 ASN A 107 -2.581 9.670 6.582 1.00 1.00 H new ATOM 0 HD21 ASN A 107 0.623 8.850 9.039 1.00 1.00 H new ATOM 0 HD22 ASN A 107 -0.377 10.290 9.261 1.00 1.00 H new ATOM 1541 N VAL A 108 -1.353 13.331 7.694 1.00 1.00 N ATOM 1542 CA VAL A 108 -0.822 14.369 8.571 1.00 1.00 C ATOM 1543 C VAL A 108 -1.456 14.288 9.959 1.00 1.00 C ATOM 1544 O VAL A 108 -2.527 13.707 10.130 1.00 1.00 O ATOM 1545 CB VAL A 108 -1.043 15.779 7.980 1.00 1.00 C ATOM 1546 CG1 VAL A 108 -2.445 16.290 8.282 1.00 1.00 C ATOM 1547 CG2 VAL A 108 0.007 16.746 8.507 1.00 1.00 C ATOM 0 H VAL A 108 -2.352 13.409 7.506 1.00 1.00 H new ATOM 0 HA VAL A 108 0.251 14.196 8.659 1.00 1.00 H new ATOM 0 HB VAL A 108 -0.941 15.711 6.897 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -2.570 17.284 7.853 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -3.180 15.613 7.848 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -2.590 16.339 9.361 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -0.163 17.735 8.081 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -0.063 16.802 9.593 1.00 1.00 H new ATOM 0 HG23 VAL A 108 0.999 16.395 8.225 1.00 1.00 H new ATOM 1557 N LYS A 109 -0.786 14.873 10.946 1.00 1.00 N ATOM 1558 CA LYS A 109 -1.281 14.866 12.315 1.00 1.00 C ATOM 1559 C LYS A 109 -1.822 16.241 12.702 1.00 1.00 C ATOM 1560 O LYS A 109 -1.380 17.263 12.176 1.00 1.00 O ATOM 1561 CB LYS A 109 -0.163 14.444 13.274 1.00 1.00 C ATOM 1562 CG LYS A 109 -0.476 14.704 14.739 1.00 1.00 C ATOM 1563 CD LYS A 109 0.583 14.106 15.652 1.00 1.00 C ATOM 1564 CE LYS A 109 0.107 12.806 16.280 1.00 1.00 C ATOM 1565 NZ LYS A 109 -0.982 13.033 17.270 1.00 1.00 N ATOM 0 H LYS A 109 0.102 15.358 10.822 1.00 1.00 H new ATOM 0 HA LYS A 109 -2.098 14.147 12.385 1.00 1.00 H new ATOM 0 HB2 LYS A 109 0.036 13.381 13.138 1.00 1.00 H new ATOM 0 HB3 LYS A 109 0.750 14.976 13.008 1.00 1.00 H new ATOM 0 HG2 LYS A 109 -0.542 15.778 14.912 1.00 1.00 H new ATOM 0 HG3 LYS A 109 -1.450 14.281 14.984 1.00 1.00 H new ATOM 0 HD2 LYS A 109 1.495 13.924 15.083 1.00 1.00 H new ATOM 0 HD3 LYS A 109 0.834 14.820 16.437 1.00 1.00 H new ATOM 0 HE2 LYS A 109 -0.247 12.134 15.498 1.00 1.00 H new ATOM 0 HE3 LYS A 109 0.946 12.311 16.770 1.00 1.00 H new ATOM 0 HZ1 LYS A 109 -1.025 12.230 17.929 1.00 1.00 H new ATOM 0 HZ2 LYS A 109 -0.792 13.907 17.801 1.00 1.00 H new ATOM 0 HZ3 LYS A 109 -1.891 13.122 16.772 1.00 1.00 H new ATOM 1579 N GLU A 110 -2.779 16.257 13.624 1.00 1.00 N ATOM 1580 CA GLU A 110 -3.381 17.504 14.082 1.00 1.00 C ATOM 1581 C GLU A 110 -3.245 17.649 15.595 1.00 1.00 C ATOM 1582 O GLU A 110 -3.379 16.676 16.336 1.00 1.00 O ATOM 1583 CB GLU A 110 -4.857 17.560 13.684 1.00 1.00 C ATOM 1584 CG GLU A 110 -5.094 18.172 12.313 1.00 1.00 C ATOM 1585 CD GLU A 110 -5.638 19.585 12.392 1.00 1.00 C ATOM 1586 OE1 GLU A 110 -6.871 19.741 12.517 1.00 1.00 O ATOM 1587 OE2 GLU A 110 -4.831 20.536 12.328 1.00 1.00 O ATOM 0 H GLU A 110 -3.155 15.420 14.069 1.00 1.00 H new ATOM 0 HA GLU A 110 -2.852 18.330 13.606 1.00 1.00 H new ATOM 0 HB2 GLU A 110 -5.267 16.550 13.698 1.00 1.00 H new ATOM 0 HB3 GLU A 110 -5.404 18.137 14.430 1.00 1.00 H new ATOM 0 HG2 GLU A 110 -4.158 18.178 11.755 1.00 1.00 H new ATOM 0 HG3 GLU A 110 -5.793 17.548 11.756 1.00 1.00 H new ATOM 1594 N SER A 111 -2.977 18.870 16.046 1.00 1.00 N ATOM 1595 CA SER A 111 -2.822 19.142 17.471 1.00 1.00 C ATOM 1596 C SER A 111 -3.855 20.157 17.948 1.00 1.00 C ATOM 1597 O SER A 111 -4.406 20.919 17.152 1.00 1.00 O ATOM 1598 CB SER A 111 -1.411 19.658 17.762 1.00 1.00 C ATOM 1599 OG SER A 111 -1.254 19.965 19.137 1.00 1.00 O ATOM 0 H SER A 111 -2.863 19.687 15.446 1.00 1.00 H new ATOM 0 HA SER A 111 -2.980 18.209 18.012 1.00 1.00 H new ATOM 0 HB2 SER A 111 -0.678 18.907 17.468 1.00 1.00 H new ATOM 0 HB3 SER A 111 -1.215 20.547 17.163 1.00 1.00 H new ATOM 0 HG SER A 111 -0.344 20.291 19.298 1.00 1.00 H new ATOM 1605 N SER A 112 -4.113 20.163 19.251 1.00 1.00 N ATOM 1606 CA SER A 112 -5.080 21.085 19.835 1.00 1.00 C ATOM 1607 C SER A 112 -4.450 22.453 20.079 1.00 1.00 C ATOM 1608 O SER A 112 -3.637 22.620 20.989 1.00 1.00 O ATOM 1609 CB SER A 112 -5.625 20.521 21.149 1.00 1.00 C ATOM 1610 OG SER A 112 -6.565 19.488 20.909 1.00 1.00 O ATOM 0 H SER A 112 -3.666 19.540 19.923 1.00 1.00 H new ATOM 0 HA SER A 112 -5.902 21.204 19.129 1.00 1.00 H new ATOM 0 HB2 SER A 112 -4.803 20.136 21.752 1.00 1.00 H new ATOM 0 HB3 SER A 112 -6.095 21.319 21.724 1.00 1.00 H new ATOM 0 HG SER A 112 -6.897 19.143 21.764 1.00 1.00 H new ATOM 1616 N GLU A 113 -4.829 23.428 19.259 1.00 1.00 N ATOM 1617 CA GLU A 113 -4.301 24.781 19.385 1.00 1.00 C ATOM 1618 C GLU A 113 -5.225 25.650 20.231 1.00 1.00 C ATOM 1619 O GLU A 113 -6.302 25.214 20.640 1.00 1.00 O ATOM 1620 CB GLU A 113 -4.115 25.409 18.003 1.00 1.00 C ATOM 1621 CG GLU A 113 -3.134 24.656 17.119 1.00 1.00 C ATOM 1622 CD GLU A 113 -2.491 25.545 16.073 1.00 1.00 C ATOM 1623 OE1 GLU A 113 -3.230 26.273 15.377 1.00 1.00 O ATOM 1624 OE2 GLU A 113 -1.249 25.513 15.950 1.00 1.00 O ATOM 0 H GLU A 113 -5.500 23.306 18.500 1.00 1.00 H new ATOM 0 HA GLU A 113 -3.333 24.721 19.883 1.00 1.00 H new ATOM 0 HB2 GLU A 113 -5.082 25.455 17.501 1.00 1.00 H new ATOM 0 HB3 GLU A 113 -3.769 26.436 18.123 1.00 1.00 H new ATOM 0 HG2 GLU A 113 -2.357 24.212 17.741 1.00 1.00 H new ATOM 0 HG3 GLU A 113 -3.653 23.835 16.624 1.00 1.00 H new ATOM 1631 N ASP A 114 -4.798 26.882 20.491 1.00 1.00 N ATOM 1632 CA ASP A 114 -5.587 27.812 21.289 1.00 1.00 C ATOM 1633 C ASP A 114 -6.564 28.588 20.411 1.00 1.00 C ATOM 1634 O ASP A 114 -6.273 28.882 19.251 1.00 1.00 O ATOM 1635 CB ASP A 114 -4.670 28.784 22.033 1.00 1.00 C ATOM 1636 CG ASP A 114 -5.435 29.705 22.962 1.00 1.00 C ATOM 1637 OD1 ASP A 114 -6.330 29.214 23.681 1.00 1.00 O ATOM 1638 OD2 ASP A 114 -5.139 30.919 22.972 1.00 1.00 O ATOM 0 H ASP A 114 -3.910 27.259 20.160 1.00 1.00 H new ATOM 0 HA ASP A 114 -6.158 27.234 22.016 1.00 1.00 H new ATOM 0 HB2 ASP A 114 -3.937 28.219 22.609 1.00 1.00 H new ATOM 0 HB3 ASP A 114 -4.115 29.381 21.310 1.00 1.00 H new ATOM 1643 N ILE A 115 -7.717 28.927 20.976 1.00 1.00 N ATOM 1644 CA ILE A 115 -8.728 29.676 20.259 1.00 1.00 C ATOM 1645 C ILE A 115 -8.849 31.076 20.835 1.00 1.00 C ATOM 1646 O ILE A 115 -9.455 31.286 21.885 1.00 1.00 O ATOM 1647 CB ILE A 115 -10.101 28.982 20.324 1.00 1.00 C ATOM 1648 CG1 ILE A 115 -9.967 27.502 19.962 1.00 1.00 C ATOM 1649 CG2 ILE A 115 -11.089 29.673 19.396 1.00 1.00 C ATOM 1650 CD1 ILE A 115 -11.272 26.740 20.037 1.00 1.00 C ATOM 0 H ILE A 115 -7.971 28.691 21.935 1.00 1.00 H new ATOM 0 HA ILE A 115 -8.417 29.728 19.216 1.00 1.00 H new ATOM 0 HB ILE A 115 -10.479 29.054 21.344 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -9.565 27.418 18.952 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -9.245 27.036 20.633 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -12.055 29.171 19.453 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -11.203 30.714 19.697 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -10.718 29.630 18.372 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -11.101 25.698 19.767 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -11.666 26.792 21.052 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -11.991 27.180 19.346 1.00 1.00 H new ATOM 1662 N PHE A 116 -8.265 32.024 20.132 1.00 1.00 N ATOM 1663 CA PHE A 116 -8.289 33.422 20.547 1.00 1.00 C ATOM 1664 C PHE A 116 -9.195 34.245 19.636 1.00 1.00 C ATOM 1665 O PHE A 116 -9.776 35.244 20.061 1.00 1.00 O ATOM 1666 CB PHE A 116 -6.872 34.001 20.542 1.00 1.00 C ATOM 1667 CG PHE A 116 -6.401 34.445 21.898 1.00 1.00 C ATOM 1668 CD1 PHE A 116 -7.082 35.431 22.593 1.00 1.00 C ATOM 1669 CD2 PHE A 116 -5.277 33.877 22.475 1.00 1.00 C ATOM 1670 CE1 PHE A 116 -6.651 35.842 23.840 1.00 1.00 C ATOM 1671 CE2 PHE A 116 -4.841 34.284 23.722 1.00 1.00 C ATOM 1672 CZ PHE A 116 -5.529 35.268 24.405 1.00 1.00 C ATOM 0 H PHE A 116 -7.762 31.855 19.261 1.00 1.00 H new ATOM 0 HA PHE A 116 -8.688 33.469 21.560 1.00 1.00 H new ATOM 0 HB2 PHE A 116 -6.183 33.251 20.155 1.00 1.00 H new ATOM 0 HB3 PHE A 116 -6.837 34.849 19.858 1.00 1.00 H new ATOM 0 HD1 PHE A 116 -7.960 35.884 22.155 1.00 1.00 H new ATOM 0 HD2 PHE A 116 -4.735 33.108 21.945 1.00 1.00 H new ATOM 0 HE1 PHE A 116 -7.191 36.611 24.372 1.00 1.00 H new ATOM 0 HE2 PHE A 116 -3.964 33.833 24.162 1.00 1.00 H new ATOM 0 HZ PHE A 116 -5.190 35.588 25.379 1.00 1.00 H new ATOM 1682 N GLY A 117 -9.310 33.820 18.382 1.00 1.00 N ATOM 1683 CA GLY A 117 -10.147 34.530 17.432 1.00 1.00 C ATOM 1684 C GLY A 117 -9.343 35.210 16.339 1.00 1.00 C ATOM 1685 O GLY A 117 -9.878 35.538 15.281 1.00 1.00 O ATOM 0 H GLY A 117 -8.839 32.997 18.007 1.00 1.00 H new ATOM 0 HA2 GLY A 117 -10.850 33.831 16.979 1.00 1.00 H new ATOM 0 HA3 GLY A 117 -10.738 35.277 17.962 1.00 1.00 H new ATOM 1689 N ASN A 118 -8.055 35.423 16.595 1.00 1.00 N ATOM 1690 CA ASN A 118 -7.180 36.068 15.622 1.00 1.00 C ATOM 1691 C ASN A 118 -6.149 35.084 15.081 1.00 1.00 C ATOM 1692 O ASN A 118 -5.499 34.368 15.843 1.00 1.00 O ATOM 1693 CB ASN A 118 -6.474 37.267 16.258 1.00 1.00 C ATOM 1694 CG ASN A 118 -7.446 38.341 16.704 1.00 1.00 C ATOM 1695 OD1 ASN A 118 -7.662 39.330 16.003 1.00 1.00 O ATOM 1696 ND2 ASN A 118 -8.039 38.153 17.877 1.00 1.00 N ATOM 0 H ASN A 118 -7.595 35.159 17.466 1.00 1.00 H new ATOM 0 HA ASN A 118 -7.794 36.415 14.791 1.00 1.00 H new ATOM 0 HB2 ASN A 118 -5.892 36.929 17.115 1.00 1.00 H new ATOM 0 HB3 ASN A 118 -5.770 37.692 15.542 1.00 1.00 H new ATOM 0 HD21 ASN A 118 -8.703 38.843 18.229 1.00 1.00 H new ATOM 0 HD22 ASN A 118 -7.831 37.319 18.426 1.00 1.00 H new ATOM 1703 N VAL A 119 -6.004 35.053 13.760 1.00 1.00 N ATOM 1704 CA VAL A 119 -5.052 34.157 13.116 1.00 1.00 C ATOM 1705 C VAL A 119 -4.136 34.921 12.166 1.00 1.00 C ATOM 1706 O VAL A 119 -4.586 35.469 11.159 1.00 1.00 O ATOM 1707 CB VAL A 119 -5.770 33.041 12.333 1.00 1.00 C ATOM 1708 CG1 VAL A 119 -4.767 32.030 11.798 1.00 1.00 C ATOM 1709 CG2 VAL A 119 -6.811 32.357 13.207 1.00 1.00 C ATOM 0 H VAL A 119 -6.534 35.639 13.115 1.00 1.00 H new ATOM 0 HA VAL A 119 -4.455 33.706 13.909 1.00 1.00 H new ATOM 0 HB VAL A 119 -6.282 33.494 11.484 1.00 1.00 H new ATOM 0 HG11 VAL A 119 -5.294 31.250 11.248 1.00 1.00 H new ATOM 0 HG12 VAL A 119 -4.065 32.532 11.132 1.00 1.00 H new ATOM 0 HG13 VAL A 119 -4.222 31.583 12.630 1.00 1.00 H new ATOM 0 HG21 VAL A 119 -7.307 31.572 12.636 1.00 1.00 H new ATOM 0 HG22 VAL A 119 -6.324 31.919 14.078 1.00 1.00 H new ATOM 0 HG23 VAL A 119 -7.549 33.089 13.534 1.00 1.00 H new TER 1719 VAL A 119 HETATM 1720 C1 IMY A 120 2.906 -13.228 2.215 1.00 1.00 C HETATM 1721 N2 IMY A 120 1.762 -12.669 1.844 1.00 1.00 N HETATM 1722 C3 IMY A 120 1.818 -11.207 2.162 1.00 1.00 C HETATM 1723 C4 IMY A 120 2.859 -11.235 3.334 1.00 1.00 C HETATM 1724 N5 IMY A 120 3.637 -12.432 2.996 1.00 1.00 N HETATM 1725 C13 IMY A 120 2.227 -10.365 0.964 1.00 1.00 C HETATM 1726 C14 IMY A 120 1.765 -9.041 0.868 1.00 1.00 C HETATM 1727 C15 IMY A 120 2.205 -8.199 -0.159 1.00 1.00 C HETATM 1728 C16 IMY A 120 3.128 -8.654 -1.084 1.00 1.00 C HETATM 1729 C17 IMY A 120 3.562 -9.968 -1.031 1.00 1.00 C HETATM 1730 C18 IMY A 120 3.118 -10.822 -0.024 1.00 1.00 C HETATM 1731 CL16 IMY A 120 3.729 -7.600 -2.300 1.00 1.00 CL HETATM 1732 C20 IMY A 120 3.385 -9.184 4.700 1.00 1.00 C HETATM 1733 C21 IMY A 120 4.167 -8.073 5.016 1.00 1.00 C HETATM 1734 C22 IMY A 120 5.308 -7.798 4.272 1.00 1.00 C HETATM 1735 C23 IMY A 120 5.675 -8.628 3.220 1.00 1.00 C HETATM 1736 C24 IMY A 120 4.924 -9.771 2.943 1.00 1.00 C HETATM 1737 C19 IMY A 120 3.747 -10.055 3.655 1.00 1.00 C HETATM 1738 CL22 IMY A 120 6.278 -6.434 4.656 1.00 1.00 CL HETATM 1739 C28 IMY A 120 3.672 -16.551 0.509 1.00 1.00 C HETATM 1740 C29 IMY A 120 2.986 -15.362 0.824 1.00 1.00 C HETATM 1741 C34 IMY A 120 3.454 -14.554 1.882 1.00 1.00 C HETATM 1742 C25 IMY A 120 4.592 -14.982 2.605 1.00 1.00 C HETATM 1743 C26 IMY A 120 5.260 -16.159 2.280 1.00 1.00 C HETATM 1744 C27 IMY A 120 4.801 -16.943 1.224 1.00 1.00 C HETATM 1745 O3 IMY A 120 1.865 -14.916 0.130 1.00 1.00 O HETATM 1746 C31 IMY A 120 1.612 -15.424 -1.203 1.00 1.00 C HETATM 1747 C32 IMY A 120 0.552 -14.586 -1.918 1.00 1.00 C HETATM 1748 C33 IMY A 120 2.925 -15.335 -1.973 1.00 1.00 C HETATM 1749 O2 IMY A 120 5.404 -18.105 0.769 1.00 1.00 O HETATM 1750 C30 IMY A 120 6.332 -18.731 1.664 1.00 1.00 C HETATM 0 H333 IMY A 120 3.253 -14.296 -2.014 1.00 1.00 H new HETATM 0 H332 IMY A 120 3.683 -15.936 -1.470 1.00 1.00 H new HETATM 0 H331 IMY A 120 2.779 -15.709 -2.986 1.00 1.00 H new HETATM 0 H323 IMY A 120 -0.378 -14.616 -1.351 1.00 1.00 H new HETATM 0 H322 IMY A 120 0.896 -13.555 -1.997 1.00 1.00 H new HETATM 0 H321 IMY A 120 0.382 -14.989 -2.916 1.00 1.00 H new HETATM 0 H302 IMY A 120 7.145 -18.040 1.888 1.00 1.00 H new HETATM 0 H301 IMY A 120 5.821 -19.001 2.588 1.00 1.00 H new HETATM 0 H4 IMY A 120 2.303 -11.214 4.271 1.00 1.00 H new HETATM 0 H31 IMY A 120 1.245 -16.449 -1.147 1.00 1.00 H new HETATM 0 H30 IMY A 120 6.738 -19.629 1.198 1.00 1.00 H new HETATM 0 H3 IMY A 120 0.870 -10.741 2.430 1.00 1.00 H new HETATM 0 H28 IMY A 120 3.313 -17.176 -0.309 1.00 1.00 H new HETATM 0 H26 IMY A 120 6.138 -16.466 2.849 1.00 1.00 H new HETATM 0 H25 IMY A 120 4.954 -14.376 3.436 1.00 1.00 H new HETATM 0 H24 IMY A 120 5.256 -10.454 2.162 1.00 1.00 H new HETATM 0 H23 IMY A 120 6.547 -8.387 2.613 1.00 1.00 H new HETATM 0 H21 IMY A 120 3.884 -7.423 5.844 1.00 1.00 H new HETATM 0 H20 IMY A 120 2.478 -9.381 5.272 1.00 1.00 H new HETATM 0 H18 IMY A 120 3.465 -11.855 -0.001 1.00 1.00 H new HETATM 0 H17 IMY A 120 4.258 -10.338 -1.784 1.00 1.00 H new HETATM 0 H15 IMY A 120 1.820 -7.182 -0.231 1.00 1.00 H new HETATM 0 H14 IMY A 120 1.054 -8.665 1.604 1.00 1.00 H new