USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 MET CE :methyl 157:sc= -2.54! (180deg=-1.45) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -160:sc= -2.55! (180deg=0.154) USER MOD Set 1.3: A 35 GLN : amide:sc= -1.65 K(o=-6.7,f=-8.9!) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -6.61! C(o=-13!,f=-22!) USER MOD Set 2.2: A 24 HIS : no HE2:sc= -6.54! C(o=-13!,f=-16!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -93:sc= -1.34! USER MOD Single : A 14 CYS SG : rot -50:sc= -9.65! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 25 THR OG1 : rot 149:sc= -2.06! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -3.64! K(o=-3.6!,f=-1.6) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -12.1! C(o=-12!,f=-13!) USER MOD Single : A 48 ASN : amide:sc= -4.34! C(o=-4.3!,f=-7.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -136:sc= -12.7! (180deg=-22.3!) USER MOD Single : A 57 SER OG : rot 180:sc= -1.11 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0975 USER MOD Single : A 67 TYR OH : rot 128:sc= -1.83 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -4.4! C(o=-4.4!,f=-9.7!) USER MOD Single : A 77 MET CE :methyl -177:sc= -7.45! (180deg=-7.63!) USER MOD Single : A 80 CYS SG : rot 180:sc= -1.53 USER MOD Single : A 83 SER OG : rot 180:sc= -0.165 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc=-0.00374 X(o=-0.0037,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -7.95! C(o=-8!,f=-12!) USER MOD Single : A 107 GLN : amide:sc=-0.00158 X(o=-0.0016,f=-0.084) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.681 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.635 -14.011 0.297 1.00 0.00 N ATOM 12 CA LEU A 2 -7.650 -12.963 0.094 1.00 0.00 C ATOM 13 C LEU A 2 -6.259 -13.590 -0.020 1.00 0.00 C ATOM 14 O LEU A 2 -5.938 -14.533 0.700 1.00 0.00 O ATOM 15 CB LEU A 2 -7.759 -11.906 1.196 1.00 0.00 C ATOM 16 CG LEU A 2 -6.488 -11.105 1.485 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.591 -9.688 0.917 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.171 -11.101 2.982 1.00 0.00 C ATOM 0 HA LEU A 2 -7.840 -12.438 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.551 -11.208 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.070 -12.400 2.116 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.654 -11.594 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.674 -9.140 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.734 -9.738 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.438 -9.174 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.263 -10.525 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.000 -10.650 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.024 -12.125 3.326 1.00 0.00 H new ATOM 29 N GLY A 3 -5.471 -13.039 -0.933 1.00 0.00 N ATOM 30 CA GLY A 3 -4.121 -13.533 -1.150 1.00 0.00 C ATOM 31 C GLY A 3 -3.097 -12.679 -0.400 1.00 0.00 C ATOM 32 O GLY A 3 -3.450 -11.948 0.524 1.00 0.00 O ATOM 0 H GLY A 3 -5.741 -12.257 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.051 -14.568 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.894 -13.526 -2.216 1.00 0.00 H new ATOM 36 N ILE A 4 -1.848 -12.802 -0.825 1.00 0.00 N ATOM 37 CA ILE A 4 -0.769 -12.050 -0.205 1.00 0.00 C ATOM 38 C ILE A 4 0.551 -12.402 -0.890 1.00 0.00 C ATOM 39 O ILE A 4 0.849 -13.576 -1.109 1.00 0.00 O ATOM 40 CB ILE A 4 -0.758 -12.280 1.308 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.438 -10.984 2.058 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.202 -13.411 1.683 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.514 -10.103 1.247 1.00 0.00 C ATOM 0 H ILE A 4 -1.559 -13.411 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.923 -10.979 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.757 -12.590 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.360 -10.439 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.011 -11.219 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.191 -13.554 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.111 -14.332 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.211 -13.153 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.725 -9.189 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.444 -10.642 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.052 -9.850 0.293 1.00 0.00 H new ATOM 54 N ASP A 5 1.311 -11.364 -1.211 1.00 0.00 N ATOM 55 CA ASP A 5 2.593 -11.549 -1.868 1.00 0.00 C ATOM 56 C ASP A 5 3.564 -10.465 -1.395 1.00 0.00 C ATOM 57 O ASP A 5 3.162 -9.325 -1.163 1.00 0.00 O ATOM 58 CB ASP A 5 2.457 -11.432 -3.386 1.00 0.00 C ATOM 59 CG ASP A 5 3.069 -12.586 -4.182 1.00 0.00 C ATOM 60 OD1 ASP A 5 4.227 -12.969 -3.962 1.00 0.00 O ATOM 61 OD2 ASP A 5 2.294 -13.107 -5.072 1.00 0.00 O ATOM 0 H ASP A 5 1.062 -10.392 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 5 2.961 -12.544 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.399 -11.359 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.925 -10.501 -3.707 1.00 0.00 H new ATOM 66 N MET A 6 4.823 -10.858 -1.266 1.00 0.00 N ATOM 67 CA MET A 6 5.854 -9.934 -0.826 1.00 0.00 C ATOM 68 C MET A 6 7.118 -10.077 -1.676 1.00 0.00 C ATOM 69 O MET A 6 7.560 -11.190 -1.954 1.00 0.00 O ATOM 70 CB MET A 6 6.192 -10.207 0.641 1.00 0.00 C ATOM 71 CG MET A 6 5.095 -9.673 1.565 1.00 0.00 C ATOM 72 SD MET A 6 5.379 -10.230 3.236 1.00 0.00 S ATOM 73 CE MET A 6 7.119 -9.861 3.393 1.00 0.00 C ATOM 0 H MET A 6 5.152 -11.804 -1.459 1.00 0.00 H new ATOM 0 HA MET A 6 5.476 -8.918 -0.938 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.313 -11.279 0.797 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.144 -9.739 0.892 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.080 -8.584 1.534 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.119 -10.015 1.220 1.00 0.00 H new ATOM 0 HE1 MET A 6 7.374 -9.754 4.447 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.704 -10.672 2.959 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.343 -8.932 2.869 1.00 0.00 H new ATOM 81 N ASN A 7 7.663 -8.933 -2.065 1.00 0.00 N ATOM 82 CA ASN A 7 8.867 -8.917 -2.878 1.00 0.00 C ATOM 83 C ASN A 7 9.810 -7.827 -2.364 1.00 0.00 C ATOM 84 O ASN A 7 9.398 -6.955 -1.600 1.00 0.00 O ATOM 85 CB ASN A 7 8.540 -8.609 -4.340 1.00 0.00 C ATOM 86 CG ASN A 7 8.935 -9.775 -5.248 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.197 -10.728 -5.435 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.138 -9.648 -5.801 1.00 0.00 N ATOM 0 H ASN A 7 7.293 -8.011 -1.832 1.00 0.00 H new ATOM 0 HA ASN A 7 9.332 -9.901 -2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.474 -8.408 -4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.066 -7.707 -4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.493 -10.374 -6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.706 -8.824 -5.603 1.00 0.00 H new ATOM 94 N VAL A 8 11.057 -7.911 -2.804 1.00 0.00 N ATOM 95 CA VAL A 8 12.061 -6.943 -2.397 1.00 0.00 C ATOM 96 C VAL A 8 12.770 -6.400 -3.639 1.00 0.00 C ATOM 97 O VAL A 8 12.998 -7.133 -4.600 1.00 0.00 O ATOM 98 CB VAL A 8 13.022 -7.577 -1.390 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.430 -7.696 -1.976 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.038 -6.790 -0.078 1.00 0.00 C ATOM 0 H VAL A 8 11.395 -8.635 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 8 11.594 -6.097 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 8 12.664 -8.583 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.093 -8.150 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.400 -8.318 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.801 -6.705 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.729 -7.262 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.360 -5.767 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.037 -6.780 0.353 1.00 0.00 H new ATOM 110 N LYS A 9 13.100 -5.118 -3.580 1.00 0.00 N ATOM 111 CA LYS A 9 13.779 -4.468 -4.688 1.00 0.00 C ATOM 112 C LYS A 9 14.663 -3.341 -4.148 1.00 0.00 C ATOM 113 O LYS A 9 14.165 -2.277 -3.786 1.00 0.00 O ATOM 114 CB LYS A 9 12.768 -4.006 -5.739 1.00 0.00 C ATOM 115 CG LYS A 9 11.378 -4.576 -5.451 1.00 0.00 C ATOM 116 CD LYS A 9 11.222 -5.974 -6.053 1.00 0.00 C ATOM 117 CE LYS A 9 10.159 -5.981 -7.153 1.00 0.00 C ATOM 118 NZ LYS A 9 10.724 -6.505 -8.416 1.00 0.00 N ATOM 0 H LYS A 9 12.910 -4.512 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 9 14.436 -5.172 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.723 -2.917 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.097 -4.323 -6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.215 -4.620 -4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.617 -3.913 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.176 -6.306 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.946 -6.682 -5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.312 -6.594 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.781 -4.970 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.989 -6.503 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.518 -5.904 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.063 -7.477 -8.268 1.00 0.00 H new ATOM 127 N GLU A 10 15.959 -3.615 -4.111 1.00 0.00 N ATOM 128 CA GLU A 10 16.917 -2.637 -3.622 1.00 0.00 C ATOM 129 C GLU A 10 16.659 -2.337 -2.144 1.00 0.00 C ATOM 130 O GLU A 10 17.582 -1.986 -1.409 1.00 0.00 O ATOM 131 CB GLU A 10 16.870 -1.357 -4.459 1.00 0.00 C ATOM 132 CG GLU A 10 17.533 -0.194 -3.719 1.00 0.00 C ATOM 133 CD GLU A 10 18.320 0.694 -4.686 1.00 0.00 C ATOM 134 OE1 GLU A 10 17.870 0.927 -5.817 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.435 1.148 -4.223 1.00 0.00 O ATOM 0 H GLU A 10 16.368 -4.500 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 10 17.918 -3.057 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.375 -1.522 -5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.834 -1.105 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.773 0.400 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.201 -0.581 -2.950 1.00 0.00 H new ATOM 141 N SER A 11 15.402 -2.484 -1.753 1.00 0.00 N ATOM 142 CA SER A 11 15.012 -2.233 -0.376 1.00 0.00 C ATOM 143 C SER A 11 13.501 -2.011 -0.293 1.00 0.00 C ATOM 144 O SER A 11 12.964 -1.771 0.788 1.00 0.00 O ATOM 145 CB SER A 11 15.758 -1.024 0.195 1.00 0.00 C ATOM 146 OG SER A 11 16.400 -0.262 -0.824 1.00 0.00 O ATOM 0 H SER A 11 14.640 -2.774 -2.366 1.00 0.00 H new ATOM 0 HA SER A 11 15.278 -3.106 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.057 -0.388 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.501 -1.364 0.916 1.00 0.00 H new ATOM 0 HG SER A 11 17.323 -0.573 -0.932 1.00 0.00 H new ATOM 151 N VAL A 12 12.857 -2.102 -1.447 1.00 0.00 N ATOM 152 CA VAL A 12 11.417 -1.915 -1.518 1.00 0.00 C ATOM 153 C VAL A 12 10.726 -3.277 -1.436 1.00 0.00 C ATOM 154 O VAL A 12 10.975 -4.154 -2.262 1.00 0.00 O ATOM 155 CB VAL A 12 11.053 -1.135 -2.783 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.248 -1.994 -4.032 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.622 -0.600 -2.702 1.00 0.00 C ATOM 0 H VAL A 12 13.306 -2.303 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 12 11.066 -1.321 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 12 11.727 -0.281 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.982 -1.415 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.291 -2.304 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.610 -2.876 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.387 -0.049 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.928 -1.433 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.530 0.064 -1.843 1.00 0.00 H new ATOM 167 N LEU A 13 9.872 -3.413 -0.433 1.00 0.00 N ATOM 168 CA LEU A 13 9.143 -4.654 -0.231 1.00 0.00 C ATOM 169 C LEU A 13 7.787 -4.564 -0.936 1.00 0.00 C ATOM 170 O LEU A 13 6.868 -3.917 -0.439 1.00 0.00 O ATOM 171 CB LEU A 13 9.040 -4.980 1.260 1.00 0.00 C ATOM 172 CG LEU A 13 9.741 -4.006 2.209 1.00 0.00 C ATOM 173 CD1 LEU A 13 11.143 -3.659 1.702 1.00 0.00 C ATOM 174 CD2 LEU A 13 8.889 -2.756 2.439 1.00 0.00 C ATOM 0 H LEU A 13 9.668 -2.683 0.250 1.00 0.00 H new ATOM 0 HA LEU A 13 9.682 -5.489 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.985 -5.024 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.452 -5.976 1.423 1.00 0.00 H new ATOM 0 HG LEU A 13 9.860 -4.497 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.619 -2.965 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.740 -4.568 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.070 -3.196 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.410 -2.080 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.716 -2.253 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.933 -3.043 2.877 1.00 0.00 H new ATOM 185 N CYS A 14 7.709 -5.221 -2.084 1.00 0.00 N ATOM 186 CA CYS A 14 6.482 -5.223 -2.861 1.00 0.00 C ATOM 187 C CYS A 14 5.473 -6.138 -2.165 1.00 0.00 C ATOM 188 O CYS A 14 5.804 -7.263 -1.793 1.00 0.00 O ATOM 189 CB CYS A 14 6.732 -5.646 -4.311 1.00 0.00 C ATOM 190 SG CYS A 14 8.453 -5.251 -4.790 1.00 0.00 S ATOM 0 H CYS A 14 8.475 -5.755 -2.494 1.00 0.00 H new ATOM 0 HA CYS A 14 6.078 -4.212 -2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.551 -6.715 -4.423 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.035 -5.133 -4.973 1.00 0.00 H new ATOM 0 HG CYS A 14 8.717 -4.016 -4.482 1.00 0.00 H new ATOM 195 N ILE A 15 4.263 -5.623 -2.011 1.00 0.00 N ATOM 196 CA ILE A 15 3.203 -6.380 -1.365 1.00 0.00 C ATOM 197 C ILE A 15 2.034 -6.545 -2.338 1.00 0.00 C ATOM 198 O ILE A 15 1.196 -5.652 -2.465 1.00 0.00 O ATOM 199 CB ILE A 15 2.811 -5.729 -0.037 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.693 -6.239 1.104 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.323 -5.929 0.254 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.174 -6.010 0.798 1.00 0.00 C ATOM 0 H ILE A 15 3.992 -4.690 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 15 3.551 -7.381 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 15 2.980 -4.655 -0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.426 -5.729 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.511 -7.302 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.071 -5.457 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.732 -5.478 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.103 -6.995 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.778 -6.382 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.443 -6.541 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.357 -4.944 0.665 1.00 0.00 H new ATOM 213 N ARG A 16 2.014 -7.691 -3.002 1.00 0.00 N ATOM 214 CA ARG A 16 0.962 -7.984 -3.959 1.00 0.00 C ATOM 215 C ARG A 16 -0.168 -8.766 -3.285 1.00 0.00 C ATOM 216 O ARG A 16 -0.053 -9.973 -3.078 1.00 0.00 O ATOM 217 CB ARG A 16 1.500 -8.794 -5.140 1.00 0.00 C ATOM 218 CG ARG A 16 1.374 -8.011 -6.448 1.00 0.00 C ATOM 219 CD ARG A 16 2.690 -8.027 -7.227 1.00 0.00 C ATOM 220 NE ARG A 16 2.446 -7.654 -8.638 1.00 0.00 N ATOM 221 CZ ARG A 16 3.412 -7.252 -9.492 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.696 -7.167 -9.083 1.00 0.00 N ATOM 223 NH2 ARG A 16 3.081 -6.942 -10.732 1.00 0.00 N ATOM 0 H ARG A 16 2.711 -8.428 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 16 0.579 -7.033 -4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.545 -9.049 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.952 -9.733 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.581 -8.442 -7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.087 -6.982 -6.233 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.398 -7.332 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.140 -9.018 -7.177 1.00 0.00 H new ATOM 0 HE ARG A 16 1.489 -7.704 -8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.942 -7.407 -8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.420 -6.863 -9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.108 -7.008 -11.032 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.798 -6.637 -11.390 1.00 0.00 H new ATOM 233 N LEU A 17 -1.232 -8.046 -2.962 1.00 0.00 N ATOM 234 CA LEU A 17 -2.381 -8.657 -2.315 1.00 0.00 C ATOM 235 C LEU A 17 -3.429 -9.007 -3.373 1.00 0.00 C ATOM 236 O LEU A 17 -3.761 -8.178 -4.220 1.00 0.00 O ATOM 237 CB LEU A 17 -2.910 -7.756 -1.198 1.00 0.00 C ATOM 238 CG LEU A 17 -2.215 -7.891 0.158 1.00 0.00 C ATOM 239 CD1 LEU A 17 -2.260 -6.572 0.932 1.00 0.00 C ATOM 240 CD2 LEU A 17 -2.808 -9.049 0.965 1.00 0.00 C ATOM 0 H LEU A 17 -1.323 -7.045 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.094 -9.590 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.828 -6.719 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.971 -7.964 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.165 -8.125 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.759 -6.696 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.755 -5.795 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.298 -6.283 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.296 -9.123 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.870 -8.869 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.681 -9.980 0.413 1.00 0.00 H new ATOM 251 N THR A 18 -3.922 -10.234 -3.290 1.00 0.00 N ATOM 252 CA THR A 18 -4.927 -10.702 -4.228 1.00 0.00 C ATOM 253 C THR A 18 -6.141 -11.253 -3.480 1.00 0.00 C ATOM 254 O THR A 18 -6.040 -12.258 -2.778 1.00 0.00 O ATOM 255 CB THR A 18 -4.267 -11.727 -5.154 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.316 -12.383 -4.322 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.420 -11.070 -6.245 1.00 0.00 C ATOM 0 H THR A 18 -3.644 -10.918 -2.587 1.00 0.00 H new ATOM 0 HA THR A 18 -5.307 -9.884 -4.841 1.00 0.00 H new ATOM 0 HB THR A 18 -5.035 -12.347 -5.616 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.843 -13.066 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.975 -11.841 -6.874 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.051 -10.424 -6.855 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.630 -10.476 -5.785 1.00 0.00 H new ATOM 265 N GLY A 19 -7.264 -10.570 -3.653 1.00 0.00 N ATOM 266 CA GLY A 19 -8.497 -10.979 -3.002 1.00 0.00 C ATOM 267 C GLY A 19 -9.427 -9.783 -2.790 1.00 0.00 C ATOM 268 O GLY A 19 -10.056 -9.305 -3.734 1.00 0.00 O ATOM 0 H GLY A 19 -7.345 -9.736 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.000 -11.733 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.269 -11.442 -2.042 1.00 0.00 H new ATOM 272 N GLU A 20 -9.485 -9.333 -1.546 1.00 0.00 N ATOM 273 CA GLU A 20 -10.328 -8.201 -1.197 1.00 0.00 C ATOM 274 C GLU A 20 -9.681 -7.383 -0.077 1.00 0.00 C ATOM 275 O GLU A 20 -8.863 -7.900 0.681 1.00 0.00 O ATOM 276 CB GLU A 20 -11.731 -8.665 -0.798 1.00 0.00 C ATOM 277 CG GLU A 20 -12.733 -8.409 -1.924 1.00 0.00 C ATOM 278 CD GLU A 20 -14.156 -8.287 -1.375 1.00 0.00 C ATOM 279 OE1 GLU A 20 -14.361 -7.671 -0.319 1.00 0.00 O ATOM 280 OE2 GLU A 20 -15.066 -8.859 -2.087 1.00 0.00 O ATOM 0 H GLU A 20 -8.962 -9.731 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.428 -7.563 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.712 -9.728 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.049 -8.140 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.464 -7.495 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.687 -9.222 -2.648 1.00 0.00 H new ATOM 286 N LEU A 21 -10.074 -6.120 -0.009 1.00 0.00 N ATOM 287 CA LEU A 21 -9.543 -5.225 1.006 1.00 0.00 C ATOM 288 C LEU A 21 -10.692 -4.710 1.877 1.00 0.00 C ATOM 289 O LEU A 21 -11.221 -3.626 1.635 1.00 0.00 O ATOM 290 CB LEU A 21 -8.716 -4.113 0.359 1.00 0.00 C ATOM 291 CG LEU A 21 -8.272 -2.980 1.287 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.252 -1.806 1.227 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.074 -3.489 2.717 1.00 0.00 C ATOM 0 H LEU A 21 -10.754 -5.695 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.858 -5.759 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.827 -4.561 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.298 -3.682 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.307 -2.612 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.913 -1.015 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.300 -1.424 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.242 -2.142 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.759 -2.664 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.012 -3.899 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.310 -4.266 2.724 1.00 0.00 H new ATOM 304 N ASP A 22 -11.042 -5.511 2.872 1.00 0.00 N ATOM 305 CA ASP A 22 -12.117 -5.150 3.780 1.00 0.00 C ATOM 306 C ASP A 22 -11.625 -5.278 5.222 1.00 0.00 C ATOM 307 O ASP A 22 -10.543 -5.811 5.469 1.00 0.00 O ATOM 308 CB ASP A 22 -13.320 -6.080 3.607 1.00 0.00 C ATOM 309 CG ASP A 22 -13.201 -7.084 2.457 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.935 -6.708 1.306 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.398 -8.314 2.787 1.00 0.00 O ATOM 0 H ASP A 22 -10.600 -6.409 3.069 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.417 -4.126 3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.471 -6.630 4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.211 -5.472 3.448 1.00 0.00 H new ATOM 316 N HIS A 23 -12.442 -4.779 6.139 1.00 0.00 N ATOM 317 CA HIS A 23 -12.103 -4.832 7.551 1.00 0.00 C ATOM 318 C HIS A 23 -11.677 -6.253 7.925 1.00 0.00 C ATOM 319 O HIS A 23 -11.055 -6.466 8.966 1.00 0.00 O ATOM 320 CB HIS A 23 -13.261 -4.315 8.407 1.00 0.00 C ATOM 321 CG HIS A 23 -14.226 -5.389 8.848 1.00 0.00 C ATOM 322 ND1 HIS A 23 -14.176 -5.972 10.102 1.00 0.00 N ATOM 323 CD2 HIS A 23 -15.265 -5.978 8.190 1.00 0.00 C ATOM 324 CE1 HIS A 23 -15.146 -6.872 10.183 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.819 -6.874 8.998 1.00 0.00 N ATOM 0 H HIS A 23 -13.337 -4.336 5.931 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.258 -4.173 7.750 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.855 -3.821 9.290 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.807 -3.559 7.843 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.583 -5.754 7.183 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.365 -7.494 11.038 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.617 -7.467 8.769 1.00 0.00 H new ATOM 332 N HIS A 24 -12.029 -7.189 7.057 1.00 0.00 N ATOM 333 CA HIS A 24 -11.691 -8.584 7.282 1.00 0.00 C ATOM 334 C HIS A 24 -10.297 -8.872 6.722 1.00 0.00 C ATOM 335 O HIS A 24 -9.454 -9.445 7.410 1.00 0.00 O ATOM 336 CB HIS A 24 -12.766 -9.505 6.700 1.00 0.00 C ATOM 337 CG HIS A 24 -14.018 -9.593 7.539 1.00 0.00 C ATOM 338 ND1 HIS A 24 -14.182 -10.530 8.545 1.00 0.00 N ATOM 339 CD2 HIS A 24 -15.163 -8.854 7.511 1.00 0.00 C ATOM 340 CE1 HIS A 24 -15.376 -10.353 9.091 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.983 -9.314 8.448 1.00 0.00 N ATOM 0 H HIS A 24 -12.545 -7.009 6.196 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.663 -8.786 8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.032 -9.152 5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -12.349 -10.505 6.582 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -13.499 -11.237 8.819 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -15.368 -8.033 6.840 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.795 -10.930 9.902 1.00 0.00 H new ATOM 348 N THR A 25 -10.098 -8.461 5.478 1.00 0.00 N ATOM 349 CA THR A 25 -8.820 -8.667 4.817 1.00 0.00 C ATOM 350 C THR A 25 -7.809 -7.613 5.270 1.00 0.00 C ATOM 351 O THR A 25 -6.608 -7.879 5.318 1.00 0.00 O ATOM 352 CB THR A 25 -9.064 -8.666 3.307 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.992 -7.291 2.944 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.493 -9.073 2.944 1.00 0.00 C ATOM 0 H THR A 25 -10.800 -7.986 4.910 1.00 0.00 H new ATOM 0 HA THR A 25 -8.384 -9.628 5.090 1.00 0.00 H new ATOM 0 HB THR A 25 -8.360 -9.345 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.641 -7.211 2.032 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.612 -9.056 1.861 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.690 -10.079 3.315 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.197 -8.375 3.398 1.00 0.00 H new ATOM 362 N ALA A 26 -8.331 -6.438 5.591 1.00 0.00 N ATOM 363 CA ALA A 26 -7.488 -5.342 6.039 1.00 0.00 C ATOM 364 C ALA A 26 -6.645 -5.805 7.229 1.00 0.00 C ATOM 365 O ALA A 26 -5.488 -5.412 7.365 1.00 0.00 O ATOM 366 CB ALA A 26 -8.361 -4.133 6.379 1.00 0.00 C ATOM 0 H ALA A 26 -9.327 -6.221 5.550 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.802 -5.038 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.729 -3.311 6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.917 -3.825 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.060 -4.400 7.171 1.00 0.00 H new ATOM 372 N GLU A 27 -7.258 -6.635 8.060 1.00 0.00 N ATOM 373 CA GLU A 27 -6.578 -7.157 9.233 1.00 0.00 C ATOM 374 C GLU A 27 -5.211 -7.722 8.847 1.00 0.00 C ATOM 375 O GLU A 27 -4.196 -7.366 9.445 1.00 0.00 O ATOM 376 CB GLU A 27 -7.431 -8.215 9.935 1.00 0.00 C ATOM 377 CG GLU A 27 -7.823 -7.759 11.343 1.00 0.00 C ATOM 378 CD GLU A 27 -9.308 -8.016 11.608 1.00 0.00 C ATOM 379 OE1 GLU A 27 -10.116 -8.009 10.668 1.00 0.00 O ATOM 380 OE2 GLU A 27 -9.611 -8.228 12.844 1.00 0.00 O ATOM 0 H GLU A 27 -8.218 -6.959 7.944 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.424 -6.337 9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.329 -8.410 9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.878 -9.153 9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.221 -8.288 12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.608 -6.697 11.458 1.00 0.00 H new ATOM 386 N THR A 28 -5.227 -8.594 7.849 1.00 0.00 N ATOM 387 CA THR A 28 -3.999 -9.212 7.376 1.00 0.00 C ATOM 388 C THR A 28 -2.898 -8.160 7.222 1.00 0.00 C ATOM 389 O THR A 28 -1.779 -8.355 7.695 1.00 0.00 O ATOM 390 CB THR A 28 -4.315 -9.956 6.077 1.00 0.00 C ATOM 391 OG1 THR A 28 -4.451 -11.316 6.480 1.00 0.00 O ATOM 392 CG2 THR A 28 -3.131 -9.971 5.108 1.00 0.00 C ATOM 0 H THR A 28 -6.070 -8.887 7.355 1.00 0.00 H new ATOM 0 HA THR A 28 -3.616 -9.935 8.097 1.00 0.00 H new ATOM 0 HB THR A 28 -5.174 -9.492 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.659 -11.870 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.408 -10.511 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.859 -8.947 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.281 -10.465 5.579 1.00 0.00 H new ATOM 400 N LEU A 29 -3.253 -7.071 6.558 1.00 0.00 N ATOM 401 CA LEU A 29 -2.308 -5.989 6.336 1.00 0.00 C ATOM 402 C LEU A 29 -1.968 -5.331 7.674 1.00 0.00 C ATOM 403 O LEU A 29 -0.884 -4.775 7.839 1.00 0.00 O ATOM 404 CB LEU A 29 -2.850 -5.011 5.291 1.00 0.00 C ATOM 405 CG LEU A 29 -1.829 -4.466 4.290 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.989 -5.596 3.692 1.00 0.00 C ATOM 407 CD2 LEU A 29 -2.515 -3.628 3.209 1.00 0.00 C ATOM 0 H LEU A 29 -4.182 -6.914 6.166 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.376 -6.376 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.645 -5.508 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.304 -4.168 5.812 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.146 -3.806 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.272 -5.181 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.455 -6.113 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.641 -6.301 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.767 -3.253 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.235 -4.246 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.032 -2.788 3.673 1.00 0.00 H new ATOM 418 N LYS A 30 -2.915 -5.417 8.597 1.00 0.00 N ATOM 419 CA LYS A 30 -2.729 -4.837 9.917 1.00 0.00 C ATOM 420 C LYS A 30 -1.370 -5.267 10.470 1.00 0.00 C ATOM 421 O LYS A 30 -0.645 -4.455 11.045 1.00 0.00 O ATOM 422 CB LYS A 30 -3.906 -5.193 10.829 1.00 0.00 C ATOM 423 CG LYS A 30 -4.128 -4.107 11.884 1.00 0.00 C ATOM 424 CD LYS A 30 -3.426 -4.466 13.196 1.00 0.00 C ATOM 425 CE LYS A 30 -2.272 -3.504 13.481 1.00 0.00 C ATOM 426 NZ LYS A 30 -2.564 -2.684 14.677 1.00 0.00 N ATOM 0 H LYS A 30 -3.813 -5.879 8.457 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.720 -3.749 9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.810 -5.316 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.716 -6.148 11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.751 -3.153 11.515 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.196 -3.980 12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.143 -4.433 14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.048 -5.487 13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.351 -4.067 13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.110 -2.856 12.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.770 -2.036 14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.431 -2.133 14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.696 -3.306 15.500 1.00 0.00 H new ATOM 435 N GLN A 31 -1.065 -6.542 10.279 1.00 0.00 N ATOM 436 CA GLN A 31 0.196 -7.088 10.753 1.00 0.00 C ATOM 437 C GLN A 31 1.332 -6.703 9.803 1.00 0.00 C ATOM 438 O GLN A 31 2.480 -6.573 10.224 1.00 0.00 O ATOM 439 CB GLN A 31 0.108 -8.607 10.914 1.00 0.00 C ATOM 440 CG GLN A 31 0.201 -9.310 9.558 1.00 0.00 C ATOM 441 CD GLN A 31 -0.854 -10.410 9.437 1.00 0.00 C ATOM 442 OE1 GLN A 31 -0.571 -11.539 9.068 1.00 0.00 O ATOM 443 NE2 GLN A 31 -2.082 -10.022 9.766 1.00 0.00 N ATOM 0 H GLN A 31 -1.669 -7.212 9.803 1.00 0.00 H new ATOM 0 HA GLN A 31 0.409 -6.662 11.734 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.912 -8.954 11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.831 -8.871 11.400 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.066 -8.583 8.757 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.195 -9.740 9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.250 -9.062 10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.856 -10.684 9.718 1.00 0.00 H new ATOM 450 N LYS A 32 0.972 -6.531 8.540 1.00 0.00 N ATOM 451 CA LYS A 32 1.947 -6.164 7.527 1.00 0.00 C ATOM 452 C LYS A 32 2.397 -4.720 7.759 1.00 0.00 C ATOM 453 O LYS A 32 3.355 -4.257 7.142 1.00 0.00 O ATOM 454 CB LYS A 32 1.386 -6.416 6.126 1.00 0.00 C ATOM 455 CG LYS A 32 2.448 -6.160 5.055 1.00 0.00 C ATOM 456 CD LYS A 32 3.516 -7.255 5.070 1.00 0.00 C ATOM 457 CE LYS A 32 4.579 -6.998 4.000 1.00 0.00 C ATOM 458 NZ LYS A 32 5.917 -7.396 4.494 1.00 0.00 N ATOM 0 H LYS A 32 0.018 -6.639 8.195 1.00 0.00 H new ATOM 0 HA LYS A 32 2.834 -6.792 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.031 -7.444 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.526 -5.768 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.977 -6.120 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.914 -5.190 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.986 -7.296 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.050 -8.225 4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.337 -7.557 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.584 -5.942 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.651 -6.923 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.015 -7.118 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.026 -8.427 4.409 1.00 0.00 H new ATOM 467 N VAL A 33 1.683 -4.047 8.650 1.00 0.00 N ATOM 468 CA VAL A 33 1.997 -2.665 8.971 1.00 0.00 C ATOM 469 C VAL A 33 3.075 -2.631 10.056 1.00 0.00 C ATOM 470 O VAL A 33 4.093 -1.957 9.903 1.00 0.00 O ATOM 471 CB VAL A 33 0.722 -1.919 9.371 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.975 -0.413 9.464 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.419 -2.224 8.399 1.00 0.00 C ATOM 0 H VAL A 33 0.888 -4.433 9.159 1.00 0.00 H new ATOM 0 HA VAL A 33 2.398 -2.151 8.098 1.00 0.00 H new ATOM 0 HB VAL A 33 0.424 -2.270 10.359 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.053 0.094 9.750 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.743 -0.219 10.213 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.309 -0.040 8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.313 -1.682 8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.133 -1.914 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.625 -3.294 8.404 1.00 0.00 H new ATOM 483 N THR A 34 2.816 -3.365 11.128 1.00 0.00 N ATOM 484 CA THR A 34 3.752 -3.426 12.238 1.00 0.00 C ATOM 485 C THR A 34 5.157 -3.761 11.733 1.00 0.00 C ATOM 486 O THR A 34 6.144 -3.226 12.235 1.00 0.00 O ATOM 487 CB THR A 34 3.214 -4.437 13.254 1.00 0.00 C ATOM 488 OG1 THR A 34 4.354 -4.780 14.036 1.00 0.00 O ATOM 489 CG2 THR A 34 2.797 -5.757 12.602 1.00 0.00 C ATOM 0 H THR A 34 1.971 -3.923 11.252 1.00 0.00 H new ATOM 0 HA THR A 34 3.841 -2.460 12.734 1.00 0.00 H new ATOM 0 HB THR A 34 2.361 -4.007 13.779 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.096 -5.431 14.722 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.423 -6.438 13.366 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.013 -5.569 11.869 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.658 -6.206 12.106 1.00 0.00 H new ATOM 497 N GLN A 35 5.201 -4.643 10.745 1.00 0.00 N ATOM 498 CA GLN A 35 6.469 -5.054 10.166 1.00 0.00 C ATOM 499 C GLN A 35 7.225 -3.839 9.627 1.00 0.00 C ATOM 500 O GLN A 35 8.449 -3.766 9.737 1.00 0.00 O ATOM 501 CB GLN A 35 6.256 -6.099 9.068 1.00 0.00 C ATOM 502 CG GLN A 35 5.598 -5.474 7.837 1.00 0.00 C ATOM 503 CD GLN A 35 6.640 -5.131 6.772 1.00 0.00 C ATOM 504 OE1 GLN A 35 7.671 -5.772 6.645 1.00 0.00 O ATOM 505 NE2 GLN A 35 6.317 -4.085 6.017 1.00 0.00 N ATOM 0 H GLN A 35 4.380 -5.084 10.331 1.00 0.00 H new ATOM 0 HA GLN A 35 7.072 -5.514 10.949 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.213 -6.539 8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.632 -6.908 9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.864 -6.165 7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.059 -4.572 8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.438 -3.593 6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.948 -3.775 5.278 1.00 0.00 H new ATOM 512 N SER A 36 6.468 -2.915 9.056 1.00 0.00 N ATOM 513 CA SER A 36 7.051 -1.706 8.499 1.00 0.00 C ATOM 514 C SER A 36 7.354 -0.708 9.619 1.00 0.00 C ATOM 515 O SER A 36 8.254 0.121 9.490 1.00 0.00 O ATOM 516 CB SER A 36 6.124 -1.074 7.461 1.00 0.00 C ATOM 517 OG SER A 36 6.850 -0.398 6.437 1.00 0.00 O ATOM 0 H SER A 36 5.454 -2.979 8.967 1.00 0.00 H new ATOM 0 HA SER A 36 7.981 -1.974 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.501 -1.848 7.013 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.453 -0.371 7.955 1.00 0.00 H new ATOM 0 HG SER A 36 6.222 -0.010 5.793 1.00 0.00 H new ATOM 522 N LEU A 37 6.584 -0.819 10.691 1.00 0.00 N ATOM 523 CA LEU A 37 6.757 0.063 11.832 1.00 0.00 C ATOM 524 C LEU A 37 8.239 0.114 12.212 1.00 0.00 C ATOM 525 O LEU A 37 8.764 1.177 12.537 1.00 0.00 O ATOM 526 CB LEU A 37 5.842 -0.361 12.983 1.00 0.00 C ATOM 527 CG LEU A 37 4.788 0.661 13.412 1.00 0.00 C ATOM 528 CD1 LEU A 37 4.107 0.233 14.714 1.00 0.00 C ATOM 529 CD2 LEU A 37 5.392 2.062 13.515 1.00 0.00 C ATOM 0 H LEU A 37 5.838 -1.507 10.793 1.00 0.00 H new ATOM 0 HA LEU A 37 6.457 1.079 11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.332 -1.281 12.696 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.463 -0.597 13.847 1.00 0.00 H new ATOM 0 HG LEU A 37 4.017 0.699 12.643 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.362 0.977 14.997 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.620 -0.731 14.570 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.853 0.148 15.504 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.621 2.769 13.822 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.195 2.059 14.252 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.791 2.358 12.545 1.00 0.00 H new ATOM 540 N GLU A 38 8.870 -1.050 12.157 1.00 0.00 N ATOM 541 CA GLU A 38 10.281 -1.152 12.492 1.00 0.00 C ATOM 542 C GLU A 38 10.854 -2.473 11.977 1.00 0.00 C ATOM 543 O GLU A 38 11.099 -3.393 12.755 1.00 0.00 O ATOM 544 CB GLU A 38 10.499 -1.010 14.000 1.00 0.00 C ATOM 545 CG GLU A 38 10.898 0.421 14.363 1.00 0.00 C ATOM 546 CD GLU A 38 12.381 0.500 14.732 1.00 0.00 C ATOM 547 OE1 GLU A 38 12.764 0.114 15.846 1.00 0.00 O ATOM 548 OE2 GLU A 38 13.147 0.981 13.813 1.00 0.00 O ATOM 0 H GLU A 38 8.431 -1.930 11.886 1.00 0.00 H new ATOM 0 HA GLU A 38 10.810 -0.334 12.004 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.587 -1.283 14.530 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.276 -1.702 14.326 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.693 1.084 13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.292 0.770 15.199 1.00 0.00 H new ATOM 554 N LYS A 39 11.051 -2.527 10.667 1.00 0.00 N ATOM 555 CA LYS A 39 11.591 -3.720 10.040 1.00 0.00 C ATOM 556 C LYS A 39 13.073 -3.853 10.396 1.00 0.00 C ATOM 557 O LYS A 39 13.532 -4.934 10.765 1.00 0.00 O ATOM 558 CB LYS A 39 11.320 -3.702 8.534 1.00 0.00 C ATOM 559 CG LYS A 39 11.754 -5.018 7.883 1.00 0.00 C ATOM 560 CD LYS A 39 10.800 -6.154 8.255 1.00 0.00 C ATOM 561 CE LYS A 39 11.397 -7.032 9.357 1.00 0.00 C ATOM 562 NZ LYS A 39 11.159 -8.464 9.066 1.00 0.00 N ATOM 0 H LYS A 39 10.846 -1.763 10.023 1.00 0.00 H new ATOM 0 HA LYS A 39 11.091 -4.610 10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.258 -3.536 8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.855 -2.871 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.781 -4.901 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.766 -5.269 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.849 -5.740 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.591 -6.761 7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.468 -6.845 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.953 -6.772 10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.571 -9.045 9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.136 -8.642 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.603 -8.712 8.159 1.00 0.00 H new ATOM 571 N ASP A 40 13.781 -2.741 10.274 1.00 0.00 N ATOM 572 CA ASP A 40 15.201 -2.720 10.580 1.00 0.00 C ATOM 573 C ASP A 40 15.815 -1.426 10.041 1.00 0.00 C ATOM 574 O ASP A 40 15.831 -0.408 10.730 1.00 0.00 O ATOM 575 CB ASP A 40 15.924 -3.897 9.920 1.00 0.00 C ATOM 576 CG ASP A 40 16.086 -5.134 10.806 1.00 0.00 C ATOM 577 OD1 ASP A 40 15.563 -6.214 10.497 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.796 -4.953 11.868 1.00 0.00 O ATOM 0 H ASP A 40 13.398 -1.847 9.967 1.00 0.00 H new ATOM 0 HA ASP A 40 15.314 -2.788 11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.378 -4.182 9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.912 -3.565 9.601 1.00 0.00 H new ATOM 583 N ASP A 41 16.306 -1.509 8.812 1.00 0.00 N ATOM 584 CA ASP A 41 16.920 -0.357 8.173 1.00 0.00 C ATOM 585 C ASP A 41 15.825 0.556 7.617 1.00 0.00 C ATOM 586 O ASP A 41 14.780 0.730 8.243 1.00 0.00 O ATOM 587 CB ASP A 41 17.815 -0.785 7.009 1.00 0.00 C ATOM 588 CG ASP A 41 18.952 0.182 6.678 1.00 0.00 C ATOM 589 OD1 ASP A 41 18.966 1.335 7.137 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.866 -0.294 5.901 1.00 0.00 O ATOM 0 H ASP A 41 16.291 -2.355 8.243 1.00 0.00 H new ATOM 0 HA ASP A 41 17.522 0.161 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.243 -1.760 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.195 -0.911 6.121 1.00 0.00 H new ATOM 595 N ILE A 42 16.102 1.115 6.448 1.00 0.00 N ATOM 596 CA ILE A 42 15.154 2.005 5.802 1.00 0.00 C ATOM 597 C ILE A 42 14.819 1.463 4.411 1.00 0.00 C ATOM 598 O ILE A 42 15.361 1.930 3.411 1.00 0.00 O ATOM 599 CB ILE A 42 15.688 3.440 5.789 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.393 4.145 7.114 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.142 4.217 4.591 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.993 3.793 7.624 1.00 0.00 C ATOM 0 H ILE A 42 16.970 0.968 5.932 1.00 0.00 H new ATOM 0 HA ILE A 42 14.221 2.041 6.365 1.00 0.00 H new ATOM 0 HB ILE A 42 16.772 3.401 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.137 3.857 7.857 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.475 5.224 6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.537 5.233 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.446 3.723 3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.054 4.250 4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.809 4.308 8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.250 4.104 6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.922 2.716 7.778 1.00 0.00 H new ATOM 613 N ARG A 43 13.926 0.484 4.393 1.00 0.00 N ATOM 614 CA ARG A 43 13.511 -0.127 3.141 1.00 0.00 C ATOM 615 C ARG A 43 12.440 0.727 2.462 1.00 0.00 C ATOM 616 O ARG A 43 12.200 1.865 2.866 1.00 0.00 O ATOM 617 CB ARG A 43 12.960 -1.536 3.372 1.00 0.00 C ATOM 618 CG ARG A 43 14.048 -2.591 3.164 1.00 0.00 C ATOM 619 CD ARG A 43 15.420 -2.053 3.576 1.00 0.00 C ATOM 620 NE ARG A 43 16.227 -3.135 4.182 1.00 0.00 N ATOM 621 CZ ARG A 43 17.016 -3.976 3.480 1.00 0.00 C ATOM 622 NH1 ARG A 43 17.111 -3.865 2.138 1.00 0.00 N ATOM 623 NH2 ARG A 43 17.694 -4.907 4.124 1.00 0.00 N ATOM 0 H ARG A 43 13.478 0.099 5.225 1.00 0.00 H new ATOM 0 HA ARG A 43 14.389 -0.193 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.562 -1.613 4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.132 -1.723 2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.812 -3.481 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.071 -2.893 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.936 -1.646 2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.301 -1.235 4.287 1.00 0.00 H new ATOM 0 HE ARG A 43 16.185 -3.253 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.585 -3.142 1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.709 -4.504 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.618 -4.984 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.294 -5.550 3.608 1.00 0.00 H new ATOM 633 N HIS A 44 11.823 0.147 1.443 1.00 0.00 N ATOM 634 CA HIS A 44 10.781 0.841 0.705 1.00 0.00 C ATOM 635 C HIS A 44 9.561 -0.070 0.559 1.00 0.00 C ATOM 636 O HIS A 44 9.679 -1.291 0.649 1.00 0.00 O ATOM 637 CB HIS A 44 11.311 1.342 -0.641 1.00 0.00 C ATOM 638 CG HIS A 44 12.408 2.374 -0.524 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.356 3.423 0.378 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.583 2.507 -1.202 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.456 4.149 0.239 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.215 3.579 -0.742 1.00 0.00 N ATOM 0 H HIS A 44 12.025 -0.796 1.111 1.00 0.00 H new ATOM 0 HA HIS A 44 10.466 1.726 1.259 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.685 0.492 -1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.484 1.768 -1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.939 1.851 -1.982 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.708 5.035 0.803 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.119 3.921 -1.068 1.00 0.00 H new ATOM 649 N ILE A 45 8.416 0.560 0.337 1.00 0.00 N ATOM 650 CA ILE A 45 7.175 -0.179 0.180 1.00 0.00 C ATOM 651 C ILE A 45 6.785 -0.202 -1.300 1.00 0.00 C ATOM 652 O ILE A 45 7.219 0.650 -2.074 1.00 0.00 O ATOM 653 CB ILE A 45 6.089 0.395 1.092 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.898 1.892 0.841 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.392 0.096 2.561 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.290 2.263 -0.591 1.00 0.00 C ATOM 0 H ILE A 45 8.322 1.573 0.262 1.00 0.00 H new ATOM 0 HA ILE A 45 7.307 -1.215 0.493 1.00 0.00 H new ATOM 0 HB ILE A 45 5.146 -0.096 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.858 2.164 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.502 2.463 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.605 0.515 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.439 -0.983 2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.348 0.542 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.145 3.333 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.337 2.012 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.668 1.709 -1.294 1.00 0.00 H new ATOM 667 N VAL A 46 5.971 -1.187 -1.649 1.00 0.00 N ATOM 668 CA VAL A 46 5.518 -1.332 -3.023 1.00 0.00 C ATOM 669 C VAL A 46 4.197 -2.103 -3.040 1.00 0.00 C ATOM 670 O VAL A 46 4.187 -3.322 -3.206 1.00 0.00 O ATOM 671 CB VAL A 46 6.609 -1.996 -3.866 1.00 0.00 C ATOM 672 CG1 VAL A 46 5.998 -2.901 -4.938 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.530 -0.949 -4.494 1.00 0.00 C ATOM 0 H VAL A 46 5.613 -1.892 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 46 5.331 -0.355 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 46 7.211 -2.618 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.794 -3.361 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.403 -3.679 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.361 -2.308 -5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.296 -1.448 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.946 -0.289 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.005 -0.363 -3.707 1.00 0.00 H new ATOM 683 N LEU A 47 3.113 -1.360 -2.868 1.00 0.00 N ATOM 684 CA LEU A 47 1.789 -1.958 -2.862 1.00 0.00 C ATOM 685 C LEU A 47 1.299 -2.115 -4.303 1.00 0.00 C ATOM 686 O LEU A 47 1.692 -1.351 -5.184 1.00 0.00 O ATOM 687 CB LEU A 47 0.839 -1.152 -1.974 1.00 0.00 C ATOM 688 CG LEU A 47 1.044 -1.302 -0.465 1.00 0.00 C ATOM 689 CD1 LEU A 47 0.934 -2.767 -0.039 1.00 0.00 C ATOM 690 CD2 LEU A 47 2.369 -0.675 -0.026 1.00 0.00 C ATOM 0 H LEU A 47 3.125 -0.349 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 47 1.825 -2.956 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.939 -0.098 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.184 -1.442 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 47 0.247 -0.759 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.084 -2.845 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.054 -3.148 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.694 -3.354 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.490 -0.796 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.193 -1.168 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.369 0.386 -0.274 1.00 0.00 H new ATOM 701 N ASN A 48 0.444 -3.110 -4.499 1.00 0.00 N ATOM 702 CA ASN A 48 -0.104 -3.375 -5.818 1.00 0.00 C ATOM 703 C ASN A 48 -1.057 -4.569 -5.737 1.00 0.00 C ATOM 704 O ASN A 48 -0.625 -5.700 -5.524 1.00 0.00 O ATOM 705 CB ASN A 48 1.004 -3.721 -6.816 1.00 0.00 C ATOM 706 CG ASN A 48 0.449 -4.527 -7.992 1.00 0.00 C ATOM 707 OD1 ASN A 48 -0.728 -4.483 -8.308 1.00 0.00 O ATOM 708 ND2 ASN A 48 1.361 -5.264 -8.620 1.00 0.00 N ATOM 0 H ASN A 48 0.118 -3.741 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.624 -2.478 -6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.466 -2.805 -7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.785 -4.293 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.091 -5.838 -9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.331 -5.255 -8.303 1.00 0.00 H new ATOM 714 N LEU A 49 -2.338 -4.276 -5.913 1.00 0.00 N ATOM 715 CA LEU A 49 -3.356 -5.311 -5.863 1.00 0.00 C ATOM 716 C LEU A 49 -3.745 -5.707 -7.289 1.00 0.00 C ATOM 717 O LEU A 49 -4.251 -4.885 -8.049 1.00 0.00 O ATOM 718 CB LEU A 49 -4.540 -4.857 -5.006 1.00 0.00 C ATOM 719 CG LEU A 49 -4.590 -5.416 -3.582 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.348 -4.311 -2.552 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.905 -6.156 -3.330 1.00 0.00 C ATOM 0 H LEU A 49 -2.693 -3.336 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.966 -6.206 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.525 -3.769 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.461 -5.136 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.785 -6.143 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.389 -4.734 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.367 -3.866 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.116 -3.544 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.915 -6.543 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.741 -5.469 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.998 -6.983 -4.034 1.00 0.00 H new ATOM 732 N GLU A 50 -3.493 -6.968 -7.608 1.00 0.00 N ATOM 733 CA GLU A 50 -3.809 -7.484 -8.929 1.00 0.00 C ATOM 734 C GLU A 50 -5.263 -7.958 -8.979 1.00 0.00 C ATOM 735 O GLU A 50 -5.867 -8.010 -10.049 1.00 0.00 O ATOM 736 CB GLU A 50 -2.852 -8.609 -9.322 1.00 0.00 C ATOM 737 CG GLU A 50 -2.151 -8.296 -10.647 1.00 0.00 C ATOM 738 CD GLU A 50 -2.803 -9.055 -11.805 1.00 0.00 C ATOM 739 OE1 GLU A 50 -4.026 -9.261 -11.801 1.00 0.00 O ATOM 740 OE2 GLU A 50 -1.991 -9.436 -12.732 1.00 0.00 O ATOM 0 H GLU A 50 -3.073 -7.648 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.685 -6.678 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.108 -8.749 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.403 -9.545 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.193 -7.224 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.097 -8.566 -10.578 1.00 0.00 H new ATOM 746 N ASP A 51 -5.783 -8.292 -7.806 1.00 0.00 N ATOM 747 CA ASP A 51 -7.155 -8.760 -7.703 1.00 0.00 C ATOM 748 C ASP A 51 -7.982 -7.736 -6.924 1.00 0.00 C ATOM 749 O ASP A 51 -8.519 -8.044 -5.862 1.00 0.00 O ATOM 750 CB ASP A 51 -7.227 -10.093 -6.955 1.00 0.00 C ATOM 751 CG ASP A 51 -8.642 -10.619 -6.705 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.631 -10.045 -7.185 1.00 0.00 O ATOM 753 OD2 ASP A 51 -8.708 -11.680 -5.974 1.00 0.00 O ATOM 0 H ASP A 51 -5.279 -8.248 -6.920 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.543 -8.891 -8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.673 -10.841 -7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.722 -9.982 -5.995 1.00 0.00 H new ATOM 758 N LEU A 52 -8.058 -6.537 -7.483 1.00 0.00 N ATOM 759 CA LEU A 52 -8.811 -5.465 -6.853 1.00 0.00 C ATOM 760 C LEU A 52 -10.294 -5.623 -7.191 1.00 0.00 C ATOM 761 O LEU A 52 -10.737 -5.224 -8.266 1.00 0.00 O ATOM 762 CB LEU A 52 -8.233 -4.103 -7.245 1.00 0.00 C ATOM 763 CG LEU A 52 -8.761 -2.899 -6.462 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.193 -3.143 -5.982 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.822 -2.543 -5.307 1.00 0.00 C ATOM 0 H LEU A 52 -7.611 -6.284 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.723 -5.523 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.150 -4.142 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.431 -3.938 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.788 -2.040 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.544 -2.272 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.841 -3.312 -6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.215 -4.019 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.220 -1.684 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.741 -3.393 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.836 -2.298 -5.702 1.00 0.00 H new ATOM 776 N SER A 53 -11.024 -6.205 -6.250 1.00 0.00 N ATOM 777 CA SER A 53 -12.449 -6.421 -6.434 1.00 0.00 C ATOM 778 C SER A 53 -13.242 -5.391 -5.629 1.00 0.00 C ATOM 779 O SER A 53 -13.715 -4.398 -6.180 1.00 0.00 O ATOM 780 CB SER A 53 -12.849 -7.839 -6.020 1.00 0.00 C ATOM 781 OG SER A 53 -14.262 -8.017 -6.021 1.00 0.00 O ATOM 0 H SER A 53 -10.655 -6.534 -5.358 1.00 0.00 H new ATOM 0 HA SER A 53 -12.679 -6.302 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.393 -8.558 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.458 -8.050 -5.025 1.00 0.00 H new ATOM 0 HG SER A 53 -14.476 -8.935 -5.753 1.00 0.00 H new ATOM 786 N PHE A 54 -13.364 -5.661 -4.337 1.00 0.00 N ATOM 787 CA PHE A 54 -14.092 -4.769 -3.451 1.00 0.00 C ATOM 788 C PHE A 54 -13.226 -3.576 -3.041 1.00 0.00 C ATOM 789 O PHE A 54 -13.479 -2.447 -3.460 1.00 0.00 O ATOM 790 CB PHE A 54 -14.452 -5.576 -2.202 1.00 0.00 C ATOM 791 CG PHE A 54 -15.136 -4.755 -1.106 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.384 -4.255 -1.311 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.496 -4.525 0.071 1.00 0.00 C ATOM 794 CE1 PHE A 54 -17.019 -3.492 -0.296 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.131 -3.763 1.088 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.379 -3.263 0.883 1.00 0.00 C ATOM 0 H PHE A 54 -12.971 -6.485 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.978 -4.384 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.108 -6.397 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.544 -6.021 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.892 -4.438 -2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.505 -4.922 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.009 -3.094 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.623 -3.581 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.862 -2.684 1.656 1.00 0.00 H new ATOM 805 N MET A 55 -12.222 -3.867 -2.227 1.00 0.00 N ATOM 806 CA MET A 55 -11.317 -2.832 -1.756 1.00 0.00 C ATOM 807 C MET A 55 -12.069 -1.527 -1.485 1.00 0.00 C ATOM 808 O MET A 55 -12.146 -0.659 -2.353 1.00 0.00 O ATOM 809 CB MET A 55 -10.231 -2.587 -2.805 1.00 0.00 C ATOM 810 CG MET A 55 -8.939 -2.089 -2.152 1.00 0.00 C ATOM 811 SD MET A 55 -7.634 -3.282 -2.394 1.00 0.00 S ATOM 812 CE MET A 55 -8.592 -4.788 -2.431 1.00 0.00 C ATOM 0 H MET A 55 -12.015 -4.804 -1.882 1.00 0.00 H new ATOM 0 HA MET A 55 -10.864 -3.169 -0.823 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.034 -3.509 -3.352 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.581 -1.854 -3.532 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.651 -1.130 -2.582 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.100 -1.925 -1.087 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.095 -5.550 -1.830 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.586 -4.597 -2.026 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.681 -5.138 -3.460 1.00 0.00 H new ATOM 820 N ASP A 56 -12.605 -1.430 -0.277 1.00 0.00 N ATOM 821 CA ASP A 56 -13.349 -0.246 0.118 1.00 0.00 C ATOM 822 C ASP A 56 -12.507 0.576 1.097 1.00 0.00 C ATOM 823 O ASP A 56 -11.282 0.610 0.991 1.00 0.00 O ATOM 824 CB ASP A 56 -14.655 -0.625 0.820 1.00 0.00 C ATOM 825 CG ASP A 56 -15.784 0.397 0.680 1.00 0.00 C ATOM 826 OD1 ASP A 56 -15.834 1.164 -0.294 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.649 0.388 1.637 1.00 0.00 O ATOM 0 H ASP A 56 -12.539 -2.152 0.441 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.576 0.326 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.999 -1.580 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.450 -0.775 1.880 1.00 0.00 H new ATOM 832 N SER A 57 -13.198 1.218 2.028 1.00 0.00 N ATOM 833 CA SER A 57 -12.530 2.037 3.024 1.00 0.00 C ATOM 834 C SER A 57 -12.368 1.249 4.326 1.00 0.00 C ATOM 835 O SER A 57 -11.790 1.749 5.291 1.00 0.00 O ATOM 836 CB SER A 57 -13.302 3.332 3.280 1.00 0.00 C ATOM 837 OG SER A 57 -12.440 4.465 3.341 1.00 0.00 O ATOM 0 H SER A 57 -14.214 1.187 2.113 1.00 0.00 H new ATOM 0 HA SER A 57 -11.544 2.303 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.037 3.478 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.854 3.246 4.216 1.00 0.00 H new ATOM 0 HG SER A 57 -12.972 5.272 3.504 1.00 0.00 H new ATOM 842 N SER A 58 -12.887 0.031 4.311 1.00 0.00 N ATOM 843 CA SER A 58 -12.807 -0.831 5.478 1.00 0.00 C ATOM 844 C SER A 58 -11.347 -1.003 5.903 1.00 0.00 C ATOM 845 O SER A 58 -11.042 -1.028 7.095 1.00 0.00 O ATOM 846 CB SER A 58 -13.443 -2.195 5.201 1.00 0.00 C ATOM 847 OG SER A 58 -14.392 -2.135 4.140 1.00 0.00 O ATOM 0 H SER A 58 -13.365 -0.380 3.509 1.00 0.00 H new ATOM 0 HA SER A 58 -13.362 -0.360 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.663 -2.914 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.932 -2.557 6.105 1.00 0.00 H new ATOM 0 HG SER A 58 -14.774 -3.025 3.992 1.00 0.00 H new ATOM 852 N GLY A 59 -10.483 -1.117 4.904 1.00 0.00 N ATOM 853 CA GLY A 59 -9.063 -1.286 5.160 1.00 0.00 C ATOM 854 C GLY A 59 -8.285 -0.021 4.789 1.00 0.00 C ATOM 855 O GLY A 59 -7.055 -0.026 4.777 1.00 0.00 O ATOM 0 H GLY A 59 -10.739 -1.096 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.905 -1.519 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.684 -2.132 4.586 1.00 0.00 H new ATOM 859 N LEU A 60 -9.035 1.031 4.498 1.00 0.00 N ATOM 860 CA LEU A 60 -8.431 2.301 4.129 1.00 0.00 C ATOM 861 C LEU A 60 -7.392 2.692 5.182 1.00 0.00 C ATOM 862 O LEU A 60 -6.314 3.180 4.844 1.00 0.00 O ATOM 863 CB LEU A 60 -9.509 3.363 3.906 1.00 0.00 C ATOM 864 CG LEU A 60 -9.461 4.098 2.565 1.00 0.00 C ATOM 865 CD1 LEU A 60 -8.494 5.282 2.624 1.00 0.00 C ATOM 866 CD2 LEU A 60 -9.120 3.136 1.426 1.00 0.00 C ATOM 0 H LEU A 60 -10.055 1.031 4.510 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.905 2.210 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.485 2.887 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.434 4.101 4.705 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.452 4.502 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.478 5.787 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.821 5.981 3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.493 4.923 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.092 3.683 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.146 2.683 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.878 2.355 1.370 1.00 0.00 H new ATOM 877 N GLY A 61 -7.751 2.463 6.437 1.00 0.00 N ATOM 878 CA GLY A 61 -6.864 2.785 7.540 1.00 0.00 C ATOM 879 C GLY A 61 -5.692 1.803 7.606 1.00 0.00 C ATOM 880 O GLY A 61 -4.551 2.206 7.824 1.00 0.00 O ATOM 0 H GLY A 61 -8.645 2.058 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.486 3.801 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.419 2.758 8.478 1.00 0.00 H new ATOM 884 N VAL A 62 -6.016 0.532 7.415 1.00 0.00 N ATOM 885 CA VAL A 62 -5.005 -0.511 7.450 1.00 0.00 C ATOM 886 C VAL A 62 -3.906 -0.184 6.437 1.00 0.00 C ATOM 887 O VAL A 62 -2.762 -0.605 6.600 1.00 0.00 O ATOM 888 CB VAL A 62 -5.653 -1.876 7.210 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.322 -2.401 5.812 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.233 -2.879 8.286 1.00 0.00 C ATOM 0 H VAL A 62 -6.964 0.201 7.236 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.537 -0.557 8.433 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.734 -1.750 7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.795 -3.372 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.693 -1.701 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.242 -2.504 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.708 -3.841 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.150 -2.999 8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.542 -2.513 9.265 1.00 0.00 H new ATOM 900 N ILE A 63 -4.292 0.564 5.414 1.00 0.00 N ATOM 901 CA ILE A 63 -3.353 0.952 4.375 1.00 0.00 C ATOM 902 C ILE A 63 -2.705 2.286 4.751 1.00 0.00 C ATOM 903 O ILE A 63 -1.533 2.515 4.457 1.00 0.00 O ATOM 904 CB ILE A 63 -4.042 0.966 3.009 1.00 0.00 C ATOM 905 CG1 ILE A 63 -4.108 -0.441 2.413 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.363 1.959 2.062 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.556 -0.864 2.160 1.00 0.00 C ATOM 0 H ILE A 63 -5.242 0.912 5.282 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.550 0.219 4.294 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.069 1.305 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.549 -0.470 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.632 -1.149 3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.872 1.949 1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.413 2.961 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.320 1.675 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.573 -1.868 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.107 -0.858 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.022 -0.168 1.462 1.00 0.00 H new ATOM 918 N LEU A 64 -3.497 3.131 5.395 1.00 0.00 N ATOM 919 CA LEU A 64 -3.015 4.436 5.815 1.00 0.00 C ATOM 920 C LEU A 64 -1.997 4.260 6.943 1.00 0.00 C ATOM 921 O LEU A 64 -1.065 5.053 7.073 1.00 0.00 O ATOM 922 CB LEU A 64 -4.188 5.348 6.180 1.00 0.00 C ATOM 923 CG LEU A 64 -4.252 6.686 5.441 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.147 6.587 4.204 1.00 0.00 C ATOM 925 CD2 LEU A 64 -4.695 7.810 6.380 1.00 0.00 C ATOM 0 H LEU A 64 -4.469 2.937 5.636 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.498 4.934 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.115 4.807 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.147 5.548 7.251 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.249 6.933 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.175 7.552 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.748 5.832 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.156 6.307 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.732 8.750 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.684 7.583 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.985 7.899 7.202 1.00 0.00 H new ATOM 936 N GLY A 65 -2.209 3.217 7.731 1.00 0.00 N ATOM 937 CA GLY A 65 -1.322 2.927 8.845 1.00 0.00 C ATOM 938 C GLY A 65 0.081 2.573 8.349 1.00 0.00 C ATOM 939 O GLY A 65 1.065 2.782 9.059 1.00 0.00 O ATOM 0 H GLY A 65 -2.983 2.562 7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.270 3.791 9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.725 2.100 9.430 1.00 0.00 H new ATOM 943 N ARG A 66 0.131 2.043 7.136 1.00 0.00 N ATOM 944 CA ARG A 66 1.397 1.658 6.538 1.00 0.00 C ATOM 945 C ARG A 66 2.137 2.894 6.020 1.00 0.00 C ATOM 946 O ARG A 66 3.361 2.973 6.114 1.00 0.00 O ATOM 947 CB ARG A 66 1.186 0.678 5.383 1.00 0.00 C ATOM 948 CG ARG A 66 1.925 -0.637 5.637 1.00 0.00 C ATOM 949 CD ARG A 66 1.214 -1.807 4.954 1.00 0.00 C ATOM 950 NE ARG A 66 1.796 -2.039 3.613 1.00 0.00 N ATOM 951 CZ ARG A 66 2.958 -2.691 3.394 1.00 0.00 C ATOM 952 NH1 ARG A 66 3.674 -3.182 4.428 1.00 0.00 N ATOM 953 NH2 ARG A 66 3.384 -2.841 2.153 1.00 0.00 N ATOM 0 H ARG A 66 -0.686 1.871 6.551 1.00 0.00 H new ATOM 0 HA ARG A 66 1.993 1.170 7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.121 0.482 5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.540 1.124 4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.947 -0.561 5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.988 -0.821 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.310 -2.707 5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.149 -1.594 4.865 1.00 0.00 H new ATOM 0 HE ARG A 66 1.287 -1.684 2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.338 -3.062 5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.551 -3.673 4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.837 -2.467 1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.260 -3.331 1.970 1.00 0.00 H new ATOM 963 N TYR A 67 1.362 3.826 5.486 1.00 0.00 N ATOM 964 CA TYR A 67 1.930 5.054 4.953 1.00 0.00 C ATOM 965 C TYR A 67 2.724 5.802 6.026 1.00 0.00 C ATOM 966 O TYR A 67 3.841 6.253 5.774 1.00 0.00 O ATOM 967 CB TYR A 67 0.740 5.916 4.523 1.00 0.00 C ATOM 968 CG TYR A 67 0.997 6.749 3.266 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.758 6.209 2.020 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.468 8.041 3.380 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.999 6.993 0.836 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.710 8.825 2.196 1.00 0.00 C ATOM 973 CZ TYR A 67 1.464 8.262 0.983 1.00 0.00 C ATOM 974 OH TYR A 67 1.693 9.003 -0.134 1.00 0.00 O ATOM 0 H TYR A 67 0.347 3.757 5.411 1.00 0.00 H new ATOM 0 HA TYR A 67 2.610 4.837 4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.120 5.269 4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.474 6.585 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.390 5.198 1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.655 8.464 4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.815 6.582 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.079 9.837 2.270 1.00 0.00 H new ATOM 0 HH TYR A 67 1.230 9.863 -0.056 1.00 0.00 H new ATOM 983 N LYS A 68 2.118 5.909 7.199 1.00 0.00 N ATOM 984 CA LYS A 68 2.756 6.594 8.310 1.00 0.00 C ATOM 985 C LYS A 68 3.670 5.616 9.050 1.00 0.00 C ATOM 986 O LYS A 68 4.173 5.925 10.130 1.00 0.00 O ATOM 987 CB LYS A 68 1.705 7.252 9.208 1.00 0.00 C ATOM 988 CG LYS A 68 0.546 7.807 8.378 1.00 0.00 C ATOM 989 CD LYS A 68 0.646 9.329 8.244 1.00 0.00 C ATOM 990 CE LYS A 68 0.078 10.026 9.483 1.00 0.00 C ATOM 991 NZ LYS A 68 0.041 11.491 9.280 1.00 0.00 N ATOM 0 H LYS A 68 1.192 5.533 7.404 1.00 0.00 H new ATOM 0 HA LYS A 68 3.385 7.406 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.327 6.524 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.164 8.057 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.551 7.350 7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.402 7.541 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.688 9.618 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.103 9.656 7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.926 9.656 9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.689 9.789 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.347 11.949 10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.005 11.842 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.561 11.713 8.461 1.00 0.00 H new ATOM 1000 N GLN A 69 3.857 4.455 8.440 1.00 0.00 N ATOM 1001 CA GLN A 69 4.703 3.429 9.028 1.00 0.00 C ATOM 1002 C GLN A 69 6.029 3.336 8.270 1.00 0.00 C ATOM 1003 O GLN A 69 7.050 2.959 8.843 1.00 0.00 O ATOM 1004 CB GLN A 69 3.987 2.076 9.050 1.00 0.00 C ATOM 1005 CG GLN A 69 3.765 1.598 10.487 1.00 0.00 C ATOM 1006 CD GLN A 69 2.599 2.344 11.139 1.00 0.00 C ATOM 1007 OE1 GLN A 69 2.383 3.525 10.918 1.00 0.00 O ATOM 1008 NE2 GLN A 69 1.862 1.593 11.950 1.00 0.00 N ATOM 0 H GLN A 69 3.438 4.202 7.545 1.00 0.00 H new ATOM 0 HA GLN A 69 4.916 3.707 10.060 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.028 2.159 8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.577 1.339 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.564 0.527 10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.673 1.754 11.070 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.098 0.611 12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.060 1.999 12.432 1.00 0.00 H new ATOM 1090 N GLY A 75 11.303 6.574 4.786 1.00 0.00 N ATOM 1091 CA GLY A 75 11.179 6.103 3.417 1.00 0.00 C ATOM 1092 C GLY A 75 10.000 6.777 2.711 1.00 0.00 C ATOM 1093 O GLY A 75 9.763 7.970 2.893 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.100 6.310 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.041 5.022 3.411 1.00 0.00 H new ATOM 1097 N GLU A 76 9.293 5.983 1.920 1.00 0.00 N ATOM 1098 CA GLU A 76 8.145 6.488 1.186 1.00 0.00 C ATOM 1099 C GLU A 76 7.114 5.376 0.983 1.00 0.00 C ATOM 1100 O GLU A 76 7.476 4.215 0.796 1.00 0.00 O ATOM 1101 CB GLU A 76 8.573 7.091 -0.154 1.00 0.00 C ATOM 1102 CG GLU A 76 10.090 7.283 -0.209 1.00 0.00 C ATOM 1103 CD GLU A 76 10.506 8.567 0.513 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.782 9.572 0.459 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.626 8.496 1.149 1.00 0.00 O ATOM 0 H GLU A 76 9.493 4.994 1.771 1.00 0.00 H new ATOM 0 HA GLU A 76 7.683 7.282 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.256 6.439 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.076 8.050 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.585 6.427 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.418 7.323 -1.248 1.00 0.00 H new ATOM 1111 N MET A 77 5.850 5.770 1.026 1.00 0.00 N ATOM 1112 CA MET A 77 4.764 4.821 0.849 1.00 0.00 C ATOM 1113 C MET A 77 4.076 5.020 -0.504 1.00 0.00 C ATOM 1114 O MET A 77 3.659 6.130 -0.835 1.00 0.00 O ATOM 1115 CB MET A 77 3.740 5.000 1.973 1.00 0.00 C ATOM 1116 CG MET A 77 2.822 3.781 2.077 1.00 0.00 C ATOM 1117 SD MET A 77 3.539 2.568 3.173 1.00 0.00 S ATOM 1118 CE MET A 77 2.895 1.072 2.444 1.00 0.00 C ATOM 0 H MET A 77 5.553 6.734 1.181 1.00 0.00 H new ATOM 0 HA MET A 77 5.179 3.814 0.880 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.257 5.152 2.920 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.144 5.894 1.788 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.843 4.084 2.447 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.669 3.346 1.090 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.204 0.214 3.041 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.806 1.121 2.415 1.00 0.00 H new ATOM 0 HE3 MET A 77 3.280 0.966 1.430 1.00 0.00 H new ATOM 1126 N VAL A 78 3.980 3.930 -1.249 1.00 0.00 N ATOM 1127 CA VAL A 78 3.351 3.971 -2.558 1.00 0.00 C ATOM 1128 C VAL A 78 2.328 2.838 -2.663 1.00 0.00 C ATOM 1129 O VAL A 78 2.424 1.841 -1.949 1.00 0.00 O ATOM 1130 CB VAL A 78 4.417 3.915 -3.654 1.00 0.00 C ATOM 1131 CG1 VAL A 78 3.784 4.026 -5.042 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.476 5.000 -3.444 1.00 0.00 C ATOM 0 H VAL A 78 4.327 3.012 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 78 2.814 4.910 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 78 4.913 2.946 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.564 3.983 -5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.087 3.201 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.249 4.972 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.222 4.939 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.001 5.981 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.960 4.854 -2.478 1.00 0.00 H new ATOM 1142 N VAL A 79 1.370 3.030 -3.558 1.00 0.00 N ATOM 1143 CA VAL A 79 0.329 2.038 -3.765 1.00 0.00 C ATOM 1144 C VAL A 79 -0.311 2.255 -5.138 1.00 0.00 C ATOM 1145 O VAL A 79 -0.606 3.388 -5.517 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.682 2.092 -2.619 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.258 3.501 -2.462 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.797 1.063 -2.821 1.00 0.00 C ATOM 0 H VAL A 79 1.293 3.858 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 79 0.753 1.034 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.157 1.840 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.974 3.512 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.451 4.202 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.760 3.794 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.502 1.123 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.318 1.270 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.366 0.062 -2.859 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.508 1.151 -5.845 1.00 0.00 N ATOM 1159 CA CYS A 80 -1.108 1.208 -7.167 1.00 0.00 C ATOM 1160 C CYS A 80 -2.194 0.134 -7.247 1.00 0.00 C ATOM 1161 O CYS A 80 -2.554 -0.467 -6.237 1.00 0.00 O ATOM 1162 CB CYS A 80 -0.061 1.043 -8.271 1.00 0.00 C ATOM 1163 SG CYS A 80 0.456 -0.708 -8.388 1.00 0.00 S ATOM 0 H CYS A 80 -0.263 0.213 -5.527 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.555 2.189 -7.324 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.472 1.374 -9.225 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.804 1.673 -8.060 1.00 0.00 H new ATOM 0 HG CYS A 80 1.343 -0.837 -9.329 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.687 -0.075 -8.459 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.725 -1.067 -8.685 1.00 0.00 C ATOM 1170 C ALA A 81 -5.048 -0.552 -8.114 1.00 0.00 C ATOM 1171 O ALA A 81 -5.740 -1.272 -7.395 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.302 -2.400 -8.065 1.00 0.00 C ATOM 0 H ALA A 81 -2.387 0.426 -9.295 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.869 -1.236 -9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.081 -3.144 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.373 -2.736 -8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.151 -2.271 -6.993 1.00 0.00 H new ATOM 1178 N ILE A 82 -5.360 0.690 -8.455 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.588 1.309 -7.985 1.00 0.00 C ATOM 1180 C ILE A 82 -7.760 0.817 -8.836 1.00 0.00 C ATOM 1181 O ILE A 82 -7.795 -0.344 -9.240 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.443 2.831 -7.958 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.381 3.453 -6.920 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.654 3.428 -9.350 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -7.002 3.013 -5.505 1.00 0.00 C ATOM 0 H ILE A 82 -4.784 1.284 -9.051 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.795 1.013 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.423 3.071 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.338 4.540 -6.991 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.409 3.161 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.545 4.511 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.913 3.019 -10.037 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.654 3.179 -9.705 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.684 3.469 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.070 1.928 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.982 3.328 -5.287 1.00 0.00 H new ATOM 1196 N SER A 83 -8.691 1.726 -9.084 1.00 0.00 N ATOM 1197 CA SER A 83 -9.862 1.400 -9.880 1.00 0.00 C ATOM 1198 C SER A 83 -10.771 2.625 -10.001 1.00 0.00 C ATOM 1199 O SER A 83 -10.633 3.582 -9.242 1.00 0.00 O ATOM 1200 CB SER A 83 -10.632 0.226 -9.272 1.00 0.00 C ATOM 1201 OG SER A 83 -10.726 -0.875 -10.172 1.00 0.00 O ATOM 0 H SER A 83 -8.658 2.688 -8.748 1.00 0.00 H new ATOM 0 HA SER A 83 -9.527 1.104 -10.874 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.137 -0.096 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.634 0.554 -8.995 1.00 0.00 H new ATOM 0 HG SER A 83 -11.223 -1.604 -9.746 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.705 2.553 -10.987 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.636 3.645 -11.217 1.00 0.00 C ATOM 1208 C PRO A 84 -13.724 3.673 -10.142 1.00 0.00 C ATOM 1209 O PRO A 84 -14.436 4.665 -10.000 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.187 3.403 -12.614 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.900 1.945 -12.929 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.898 1.435 -11.906 1.00 0.00 C ATOM 0 HA PRO A 84 -12.161 4.624 -11.154 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.257 3.607 -12.652 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.710 4.061 -13.341 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.818 1.358 -12.890 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.500 1.844 -13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.276 0.555 -11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.960 1.146 -12.380 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.819 2.571 -9.411 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.807 2.457 -8.353 1.00 0.00 C ATOM 1219 C ALA A 85 -14.099 2.164 -7.029 1.00 0.00 C ATOM 1220 O ALA A 85 -14.679 1.552 -6.133 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.827 1.378 -8.722 1.00 0.00 C ATOM 0 H ALA A 85 -13.227 1.749 -9.532 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.352 3.393 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.569 1.292 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -16.323 1.649 -9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -15.317 0.423 -8.847 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.856 2.613 -6.947 1.00 0.00 N ATOM 1228 CA VAL A 86 -12.063 2.407 -5.746 1.00 0.00 C ATOM 1229 C VAL A 86 -11.246 3.667 -5.457 1.00 0.00 C ATOM 1230 O VAL A 86 -11.014 4.009 -4.298 1.00 0.00 O ATOM 1231 CB VAL A 86 -11.197 1.155 -5.902 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.831 1.349 -5.239 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.908 -0.077 -5.340 1.00 0.00 C ATOM 0 H VAL A 86 -12.378 3.119 -7.692 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.709 2.235 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 86 -11.034 0.991 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.234 0.445 -5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.317 2.190 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.968 1.550 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -11.271 -0.953 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.115 0.074 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.845 -0.232 -5.875 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.832 4.325 -6.530 1.00 0.00 N ATOM 1244 CA LYS A 87 -10.046 5.540 -6.405 1.00 0.00 C ATOM 1245 C LYS A 87 -10.929 6.660 -5.850 1.00 0.00 C ATOM 1246 O LYS A 87 -10.428 7.710 -5.451 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.380 5.888 -7.739 1.00 0.00 C ATOM 1248 CG LYS A 87 -8.524 7.150 -7.613 1.00 0.00 C ATOM 1249 CD LYS A 87 -7.203 6.993 -8.367 1.00 0.00 C ATOM 1250 CE LYS A 87 -7.387 7.269 -9.861 1.00 0.00 C ATOM 1251 NZ LYS A 87 -7.337 8.723 -10.129 1.00 0.00 N ATOM 0 H LYS A 87 -11.026 4.039 -7.490 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.231 5.394 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.759 5.055 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.143 6.037 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.072 8.006 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.324 7.355 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.462 7.678 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.817 5.984 -8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.608 6.761 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.342 6.864 -10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.463 8.893 -11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.096 9.200 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.416 9.100 -9.827 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.227 6.395 -5.839 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.184 7.367 -5.338 1.00 0.00 C ATOM 1262 C ARG A 88 -13.112 7.444 -3.812 1.00 0.00 C ATOM 1263 O ARG A 88 -13.546 8.429 -3.215 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.609 7.003 -5.757 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.267 6.084 -4.726 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.679 4.672 -4.795 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.753 3.668 -4.630 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.521 3.557 -3.525 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.339 4.389 -2.477 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.452 2.622 -3.485 1.00 0.00 N ATOM 0 H ARG A 88 -12.638 5.522 -6.169 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.928 8.336 -5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.201 7.911 -5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.591 6.511 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.124 6.493 -3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.342 6.043 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.176 4.525 -5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.927 4.544 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.924 3.020 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.617 5.108 -2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.924 4.298 -1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.582 1.998 -4.281 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.041 2.524 -2.658 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.564 6.391 -3.223 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.431 6.327 -1.778 1.00 0.00 C ATOM 1282 C LEU A 89 -11.432 7.389 -1.314 1.00 0.00 C ATOM 1283 O LEU A 89 -11.685 8.104 -0.346 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.069 4.908 -1.335 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.213 3.892 -1.341 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.719 2.512 -1.781 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.909 3.843 0.021 1.00 0.00 C ATOM 0 H LEU A 89 -12.207 5.575 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.383 6.553 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.276 4.537 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.658 4.957 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.954 4.217 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.552 1.809 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.305 2.578 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.948 2.165 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.718 3.113 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.189 3.555 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.316 4.826 0.257 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.318 7.459 -2.028 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.279 8.422 -1.702 1.00 0.00 C ATOM 1300 C PHE A 90 -9.563 9.776 -2.353 1.00 0.00 C ATOM 1301 O PHE A 90 -9.062 10.804 -1.901 1.00 0.00 O ATOM 1302 CB PHE A 90 -7.966 7.867 -2.257 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.729 6.391 -1.937 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.248 5.427 -2.745 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -6.999 6.040 -0.845 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -8.028 4.057 -2.449 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.779 4.669 -0.547 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.297 3.706 -1.356 1.00 0.00 C ATOM 0 H PHE A 90 -10.112 6.865 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.234 8.571 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.956 8.000 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.138 8.452 -1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.828 5.705 -3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.586 6.805 -0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.441 3.293 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.201 4.391 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.128 2.663 -1.131 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.368 9.734 -3.406 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.725 10.945 -4.124 1.00 0.00 C ATOM 1319 C ASP A 91 -11.683 11.777 -3.268 1.00 0.00 C ATOM 1320 O ASP A 91 -11.647 13.006 -3.307 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.432 10.617 -5.440 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.801 11.242 -6.686 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.896 10.662 -7.304 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.282 12.390 -7.024 1.00 0.00 O ATOM 0 H ASP A 91 -10.783 8.880 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.808 11.495 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.451 9.534 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.468 10.948 -5.371 1.00 0.00 H new ATOM 1329 N MET A 92 -12.516 11.074 -2.515 1.00 0.00 N ATOM 1330 CA MET A 92 -13.481 11.732 -1.652 1.00 0.00 C ATOM 1331 C MET A 92 -12.889 11.991 -0.265 1.00 0.00 C ATOM 1332 O MET A 92 -13.248 12.965 0.395 1.00 0.00 O ATOM 1333 CB MET A 92 -14.728 10.856 -1.519 1.00 0.00 C ATOM 1334 CG MET A 92 -15.882 11.636 -0.886 1.00 0.00 C ATOM 1335 SD MET A 92 -16.459 12.894 -2.015 1.00 0.00 S ATOM 1336 CE MET A 92 -18.001 12.159 -2.535 1.00 0.00 C ATOM 0 H MET A 92 -12.542 10.055 -2.485 1.00 0.00 H new ATOM 0 HA MET A 92 -13.745 12.690 -2.099 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.027 10.491 -2.502 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.499 9.981 -0.911 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.698 10.957 -0.637 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.554 12.095 0.046 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.496 12.818 -3.248 1.00 0.00 H new ATOM 0 HE2 MET A 92 -17.804 11.196 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.645 12.013 -1.668 1.00 0.00 H new ATOM 1344 N SER A 93 -11.991 11.103 0.135 1.00 0.00 N ATOM 1345 CA SER A 93 -11.346 11.223 1.431 1.00 0.00 C ATOM 1346 C SER A 93 -10.457 12.469 1.460 1.00 0.00 C ATOM 1347 O SER A 93 -10.445 13.205 2.446 1.00 0.00 O ATOM 1348 CB SER A 93 -10.520 9.977 1.754 1.00 0.00 C ATOM 1349 OG SER A 93 -9.960 10.031 3.063 1.00 0.00 O ATOM 0 H SER A 93 -11.695 10.297 -0.416 1.00 0.00 H new ATOM 0 HA SER A 93 -12.122 11.319 2.190 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.150 9.092 1.666 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.720 9.873 1.021 1.00 0.00 H new ATOM 0 HG SER A 93 -9.441 9.217 3.231 1.00 0.00 H new ATOM 1354 N GLY A 94 -9.735 12.668 0.365 1.00 0.00 N ATOM 1355 CA GLY A 94 -8.847 13.811 0.253 1.00 0.00 C ATOM 1356 C GLY A 94 -7.489 13.516 0.893 1.00 0.00 C ATOM 1357 O GLY A 94 -6.557 14.308 0.771 1.00 0.00 O ATOM 0 H GLY A 94 -9.748 12.056 -0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.710 14.068 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.300 14.677 0.736 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.422 12.373 1.560 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.193 11.963 2.219 1.00 0.00 C ATOM 1363 C LEU A 95 -5.320 11.191 1.227 1.00 0.00 C ATOM 1364 O LEU A 95 -4.344 10.554 1.619 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.506 11.185 3.498 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.457 11.271 4.609 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.009 12.718 4.829 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -5.970 10.627 5.899 1.00 0.00 C ATOM 0 H LEU A 95 -8.198 11.718 1.658 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.621 12.835 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.456 11.543 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.645 10.136 3.237 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.579 10.706 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.264 12.751 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.576 13.109 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.868 13.326 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.205 10.702 6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.872 11.143 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.199 9.577 5.716 1.00 0.00 H new ATOM 1379 N PHE A 96 -5.704 11.274 -0.038 1.00 0.00 N ATOM 1380 CA PHE A 96 -4.968 10.591 -1.089 1.00 0.00 C ATOM 1381 C PHE A 96 -3.496 11.005 -1.086 1.00 0.00 C ATOM 1382 O PHE A 96 -2.636 10.254 -1.544 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.600 11.006 -2.419 1.00 0.00 C ATOM 1384 CG PHE A 96 -5.890 9.837 -3.362 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.345 8.615 -3.118 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -6.694 10.019 -4.444 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.615 7.529 -3.994 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -6.963 8.934 -5.320 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.418 7.713 -5.076 1.00 0.00 C ATOM 0 H PHE A 96 -6.515 11.803 -0.359 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.014 9.513 -0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.531 11.536 -2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -4.935 11.709 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.707 8.470 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.128 10.989 -4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.183 6.558 -3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.600 9.079 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 96 -6.623 6.888 -5.742 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.250 12.197 -0.562 1.00 0.00 N ATOM 1399 CA LYS A 97 -1.897 12.720 -0.493 1.00 0.00 C ATOM 1400 C LYS A 97 -1.053 11.819 0.412 1.00 0.00 C ATOM 1401 O LYS A 97 0.162 11.728 0.243 1.00 0.00 O ATOM 1402 CB LYS A 97 -1.910 14.187 -0.060 1.00 0.00 C ATOM 1403 CG LYS A 97 -2.848 15.011 -0.946 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.169 15.387 -2.264 1.00 0.00 C ATOM 1405 CE LYS A 97 -2.043 16.905 -2.403 1.00 0.00 C ATOM 1406 NZ LYS A 97 -2.026 17.295 -3.831 1.00 0.00 N ATOM 0 H LYS A 97 -3.966 12.816 -0.181 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.433 12.708 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.228 14.260 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.901 14.595 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.755 14.442 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.151 15.915 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.180 14.931 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.744 14.988 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.876 17.393 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.130 17.246 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.940 18.329 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.217 16.844 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.909 16.986 -4.286 1.00 0.00 H new ATOM 1415 N ILE A 98 -1.731 11.179 1.353 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.058 10.289 2.284 1.00 0.00 C ATOM 1417 C ILE A 98 -1.203 8.846 1.799 1.00 0.00 C ATOM 1418 O ILE A 98 -0.898 7.907 2.534 1.00 0.00 O ATOM 1419 CB ILE A 98 -1.574 10.515 3.707 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -2.275 9.264 4.242 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -2.475 11.749 3.774 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.290 8.358 4.983 1.00 0.00 C ATOM 0 H ILE A 98 -2.738 11.259 1.491 1.00 0.00 H new ATOM 0 HA ILE A 98 0.009 10.508 2.317 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.718 10.706 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.083 9.555 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.728 8.716 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.828 11.887 4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.911 12.629 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.329 11.612 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.814 7.477 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.497 8.050 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.857 8.901 5.823 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.668 8.714 0.566 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.857 7.400 -0.025 1.00 0.00 C ATOM 1435 C ILE A 99 -1.070 7.317 -1.335 1.00 0.00 C ATOM 1436 O ILE A 99 -0.781 6.225 -1.821 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.347 7.092 -0.183 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.991 6.792 1.171 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.570 5.960 -1.187 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -3.369 5.548 1.810 1.00 0.00 C ATOM 0 H ILE A 99 -1.920 9.495 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.464 6.626 0.634 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.838 7.979 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.866 7.647 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.063 6.642 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.638 5.761 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.169 6.251 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.063 5.060 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.845 5.357 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.517 4.690 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.302 5.711 1.959 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.746 8.486 -1.869 1.00 0.00 N ATOM 1452 CA ARG A 100 0.001 8.559 -3.112 1.00 0.00 C ATOM 1453 C ARG A 100 -0.263 7.317 -3.965 1.00 0.00 C ATOM 1454 O ARG A 100 0.468 6.333 -3.878 1.00 0.00 O ATOM 1455 CB ARG A 100 1.503 8.677 -2.846 1.00 0.00 C ATOM 1456 CG ARG A 100 2.303 8.537 -4.144 1.00 0.00 C ATOM 1457 CD ARG A 100 3.456 9.542 -4.187 1.00 0.00 C ATOM 1458 NE ARG A 100 3.402 10.319 -5.445 1.00 0.00 N ATOM 1459 CZ ARG A 100 2.345 11.067 -5.829 1.00 0.00 C ATOM 1460 NH1 ARG A 100 1.244 11.145 -5.053 1.00 0.00 N ATOM 1461 NH2 ARG A 100 2.405 11.720 -6.974 1.00 0.00 N ATOM 0 H ARG A 100 -0.988 9.390 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.333 9.448 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.719 9.640 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.812 7.907 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.696 7.524 -4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.646 8.695 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.395 10.215 -3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.409 9.018 -4.114 1.00 0.00 H new ATOM 0 HE ARG A 100 4.214 10.288 -6.061 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.206 10.637 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.450 11.712 -5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.241 11.655 -7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.615 12.289 -7.278 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.312 7.403 -4.771 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.682 6.299 -5.638 1.00 0.00 C ATOM 1473 C PHE A 101 -1.495 6.671 -7.111 1.00 0.00 C ATOM 1474 O PHE A 101 -1.273 7.836 -7.437 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.162 6.006 -5.383 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.486 4.518 -5.235 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.565 3.727 -6.339 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.693 3.986 -4.001 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.865 2.345 -6.202 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.994 2.604 -3.864 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.074 1.814 -4.967 1.00 0.00 C ATOM 0 H PHE A 101 -1.917 8.221 -4.841 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.053 5.434 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.474 6.527 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.750 6.415 -6.205 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.400 4.149 -7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.629 4.614 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.927 1.716 -7.078 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.159 2.182 -2.884 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.304 0.764 -4.863 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.592 5.660 -7.961 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.436 5.866 -9.390 1.00 0.00 C ATOM 1492 C GLU A 102 -2.264 4.841 -10.168 1.00 0.00 C ATOM 1493 O GLU A 102 -3.353 4.462 -9.739 1.00 0.00 O ATOM 1494 CB GLU A 102 0.037 5.803 -9.796 1.00 0.00 C ATOM 1495 CG GLU A 102 0.381 6.917 -10.787 1.00 0.00 C ATOM 1496 CD GLU A 102 0.859 6.338 -12.119 1.00 0.00 C ATOM 1497 OE1 GLU A 102 0.516 5.195 -12.458 1.00 0.00 O ATOM 1498 OE2 GLU A 102 1.614 7.119 -12.815 1.00 0.00 O ATOM 0 H GLU A 102 -1.777 4.695 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.804 6.862 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.666 5.892 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.253 4.833 -10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.495 7.544 -10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.156 7.557 -10.365 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.715 4.420 -11.299 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.389 3.445 -12.140 1.00 0.00 C ATOM 1506 C GLN A 103 -1.364 2.590 -12.886 1.00 0.00 C ATOM 1507 O GLN A 103 -0.920 2.954 -13.974 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.345 4.132 -13.118 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.354 5.009 -12.372 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.260 5.757 -13.352 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -5.940 5.172 -14.180 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -5.232 7.080 -13.214 1.00 0.00 N ATOM 0 H GLN A 103 -0.812 4.736 -11.652 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.983 2.792 -11.501 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.777 4.742 -13.820 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.874 3.380 -13.704 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.960 4.390 -11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.824 5.724 -11.743 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.641 7.506 -12.500 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -5.802 7.668 -13.822 1.00 0.00 H new ATOM 1519 N SER A 104 -1.017 1.468 -12.273 1.00 0.00 N ATOM 1520 CA SER A 104 -0.052 0.557 -12.865 1.00 0.00 C ATOM 1521 C SER A 104 1.204 1.325 -13.282 1.00 0.00 C ATOM 1522 O SER A 104 2.289 1.076 -12.759 1.00 0.00 O ATOM 1523 CB SER A 104 -0.651 -0.174 -14.068 1.00 0.00 C ATOM 1524 OG SER A 104 0.336 -0.887 -14.805 1.00 0.00 O ATOM 0 H SER A 104 -1.387 1.169 -11.371 1.00 0.00 H new ATOM 0 HA SER A 104 0.217 -0.190 -12.118 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.419 -0.868 -13.725 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.142 0.546 -14.722 1.00 0.00 H new ATOM 0 HG SER A 104 -0.087 -1.341 -15.563 1.00 0.00 H new ATOM 1529 N GLU A 105 1.014 2.243 -14.219 1.00 0.00 N ATOM 1530 CA GLU A 105 2.118 3.048 -14.712 1.00 0.00 C ATOM 1531 C GLU A 105 3.104 3.346 -13.581 1.00 0.00 C ATOM 1532 O GLU A 105 4.305 3.472 -13.817 1.00 0.00 O ATOM 1533 CB GLU A 105 1.610 4.341 -15.352 1.00 0.00 C ATOM 1534 CG GLU A 105 2.775 5.218 -15.815 1.00 0.00 C ATOM 1535 CD GLU A 105 2.573 5.683 -17.258 1.00 0.00 C ATOM 1536 OE1 GLU A 105 2.059 4.919 -18.089 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.971 6.885 -17.505 1.00 0.00 O ATOM 0 H GLU A 105 0.112 2.447 -14.649 1.00 0.00 H new ATOM 0 HA GLU A 105 2.640 2.481 -15.483 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.969 4.103 -16.201 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.999 4.890 -14.635 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.865 6.084 -15.160 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.708 4.660 -15.736 1.00 0.00 H new ATOM 1543 N GLN A 106 2.561 3.450 -12.377 1.00 0.00 N ATOM 1544 CA GLN A 106 3.378 3.731 -11.209 1.00 0.00 C ATOM 1545 C GLN A 106 4.291 2.543 -10.902 1.00 0.00 C ATOM 1546 O GLN A 106 5.160 2.631 -10.035 1.00 0.00 O ATOM 1547 CB GLN A 106 2.506 4.080 -10.001 1.00 0.00 C ATOM 1548 CG GLN A 106 3.264 3.846 -8.692 1.00 0.00 C ATOM 1549 CD GLN A 106 2.663 4.676 -7.557 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.269 5.602 -7.042 1.00 0.00 O ATOM 1551 NE2 GLN A 106 1.441 4.295 -7.195 1.00 0.00 N ATOM 0 H GLN A 106 1.565 3.345 -12.185 1.00 0.00 H new ATOM 0 HA GLN A 106 4.003 4.597 -11.426 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.193 5.122 -10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.600 3.474 -10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.230 2.788 -8.432 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.314 4.108 -8.823 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.990 3.511 -7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.955 4.786 -6.445 1.00 0.00 H new ATOM 1558 N GLN A 107 4.063 1.459 -11.628 1.00 0.00 N ATOM 1559 CA GLN A 107 4.854 0.254 -11.444 1.00 0.00 C ATOM 1560 C GLN A 107 6.302 0.616 -11.108 1.00 0.00 C ATOM 1561 O GLN A 107 6.984 -0.126 -10.403 1.00 0.00 O ATOM 1562 CB GLN A 107 4.785 -0.642 -12.682 1.00 0.00 C ATOM 1563 CG GLN A 107 5.499 -1.973 -12.437 1.00 0.00 C ATOM 1564 CD GLN A 107 4.720 -3.135 -13.054 1.00 0.00 C ATOM 1565 OE1 GLN A 107 3.557 -3.363 -12.762 1.00 0.00 O ATOM 1566 NE2 GLN A 107 5.422 -3.856 -13.924 1.00 0.00 N ATOM 0 H GLN A 107 3.341 1.390 -12.345 1.00 0.00 H new ATOM 0 HA GLN A 107 4.437 -0.307 -10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.743 -0.827 -12.944 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.241 -0.132 -13.530 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.502 -1.936 -12.863 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.614 -2.136 -11.365 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.392 -3.612 -14.124 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.990 -4.653 -14.391 1.00 0.00 H new ATOM 1573 N ALA A 108 6.730 1.756 -11.631 1.00 0.00 N ATOM 1574 CA ALA A 108 8.085 2.225 -11.396 1.00 0.00 C ATOM 1575 C ALA A 108 8.115 3.062 -10.114 1.00 0.00 C ATOM 1576 O ALA A 108 8.950 2.834 -9.240 1.00 0.00 O ATOM 1577 CB ALA A 108 8.572 3.010 -12.615 1.00 0.00 C ATOM 0 H ALA A 108 6.162 2.368 -12.217 1.00 0.00 H new ATOM 0 HA ALA A 108 8.764 1.384 -11.257 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.588 3.362 -12.439 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.559 2.364 -13.493 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.916 3.864 -12.783 1.00 0.00 H new ATOM 1583 N LEU A 109 7.194 4.011 -10.044 1.00 0.00 N ATOM 1584 CA LEU A 109 7.105 4.882 -8.884 1.00 0.00 C ATOM 1585 C LEU A 109 6.731 4.052 -7.655 1.00 0.00 C ATOM 1586 O LEU A 109 6.997 4.455 -6.524 1.00 0.00 O ATOM 1587 CB LEU A 109 6.145 6.042 -9.158 1.00 0.00 C ATOM 1588 CG LEU A 109 6.769 7.438 -9.179 1.00 0.00 C ATOM 1589 CD1 LEU A 109 5.839 8.444 -9.862 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.161 7.886 -7.769 1.00 0.00 C ATOM 0 H LEU A 109 6.503 4.196 -10.771 1.00 0.00 H new ATOM 0 HA LEU A 109 8.072 5.340 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.661 5.868 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.362 6.027 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 109 7.685 7.393 -9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.306 9.429 -9.864 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.653 8.129 -10.889 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.894 8.492 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.602 8.882 -7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.275 7.910 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.886 7.186 -7.353 1.00 0.00 H new ATOM 1601 N LEU A 110 6.120 2.905 -7.919 1.00 0.00 N ATOM 1602 CA LEU A 110 5.708 2.013 -6.848 1.00 0.00 C ATOM 1603 C LEU A 110 6.920 1.669 -5.981 1.00 0.00 C ATOM 1604 O LEU A 110 6.802 1.547 -4.763 1.00 0.00 O ATOM 1605 CB LEU A 110 4.991 0.788 -7.419 1.00 0.00 C ATOM 1606 CG LEU A 110 4.043 0.061 -6.462 1.00 0.00 C ATOM 1607 CD1 LEU A 110 2.784 0.889 -6.203 1.00 0.00 C ATOM 1608 CD2 LEU A 110 3.712 -1.341 -6.980 1.00 0.00 C ATOM 0 H LEU A 110 5.901 2.574 -8.858 1.00 0.00 H new ATOM 0 HA LEU A 110 4.983 2.505 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.423 1.100 -8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.743 0.078 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 110 4.550 -0.060 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.128 0.349 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.062 1.845 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.263 1.064 -7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.037 -1.837 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.233 -1.265 -7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.630 -1.921 -7.071 1.00 0.00 H new ATOM 1619 N THR A 111 8.059 1.523 -6.643 1.00 0.00 N ATOM 1620 CA THR A 111 9.291 1.194 -5.948 1.00 0.00 C ATOM 1621 C THR A 111 9.591 2.239 -4.871 1.00 0.00 C ATOM 1622 O THR A 111 10.517 2.072 -4.079 1.00 0.00 O ATOM 1623 CB THR A 111 10.402 1.061 -6.992 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.790 -0.307 -6.916 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.666 1.830 -6.603 1.00 0.00 C ATOM 0 H THR A 111 8.154 1.627 -7.653 1.00 0.00 H new ATOM 0 HA THR A 111 9.206 0.244 -5.420 1.00 0.00 H new ATOM 0 HB THR A 111 10.040 1.422 -7.955 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.506 -0.480 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.422 1.702 -7.377 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.430 2.889 -6.498 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.048 1.448 -5.656 1.00 0.00 H new ATOM 1633 N LEU A 112 8.792 3.295 -4.879 1.00 0.00 N ATOM 1634 CA LEU A 112 8.959 4.368 -3.913 1.00 0.00 C ATOM 1635 C LEU A 112 9.560 5.589 -4.611 1.00 0.00 C ATOM 1636 O LEU A 112 10.146 6.453 -3.963 1.00 0.00 O ATOM 1637 CB LEU A 112 9.774 3.884 -2.711 1.00 0.00 C ATOM 1638 CG LEU A 112 11.293 4.020 -2.833 1.00 0.00 C ATOM 1639 CD1 LEU A 112 11.711 4.221 -4.291 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.819 5.134 -1.927 1.00 0.00 C ATOM 0 H LEU A 112 8.027 3.431 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 112 7.992 4.673 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.449 4.438 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 112 9.536 2.835 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 112 11.747 3.089 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.795 4.315 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.389 3.365 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.247 5.127 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.901 5.209 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.360 6.081 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.571 4.907 -0.890 1.00 0.00 H new ATOM 1651 N GLY A 113 9.393 5.619 -5.925 1.00 0.00 N ATOM 1652 CA GLY A 113 9.911 6.721 -6.720 1.00 0.00 C ATOM 1653 C GLY A 113 11.350 7.055 -6.319 1.00 0.00 C ATOM 1654 O GLY A 113 11.676 8.216 -6.076 1.00 0.00 O ATOM 0 H GLY A 113 8.907 4.899 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.875 6.460 -7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.279 7.599 -6.587 1.00 0.00 H new ATOM 1658 N VAL A 114 12.172 6.017 -6.264 1.00 0.00 N ATOM 1659 CA VAL A 114 13.567 6.187 -5.898 1.00 0.00 C ATOM 1660 C VAL A 114 14.259 4.822 -5.896 1.00 0.00 C ATOM 1661 O VAL A 114 14.535 4.264 -4.835 1.00 0.00 O ATOM 1662 CB VAL A 114 13.672 6.912 -4.555 1.00 0.00 C ATOM 1663 CG1 VAL A 114 14.855 6.388 -3.738 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.772 8.426 -4.755 1.00 0.00 C ATOM 0 H VAL A 114 11.898 5.056 -6.467 1.00 0.00 H new ATOM 0 HA VAL A 114 14.080 6.811 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 114 12.761 6.707 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 114 14.906 6.921 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 114 14.724 5.322 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.779 6.547 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.846 8.917 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.658 8.657 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.884 8.784 -5.276 1.00 0.00 H new ATOM 1674 N ALA A 115 14.519 4.324 -7.096 1.00 0.00 N ATOM 1675 CA ALA A 115 15.173 3.036 -7.245 1.00 0.00 C ATOM 1676 C ALA A 115 14.955 2.521 -8.669 1.00 0.00 C ATOM 1677 O ALA A 115 13.928 1.908 -8.961 1.00 0.00 O ATOM 1678 CB ALA A 115 14.642 2.067 -6.187 1.00 0.00 C ATOM 0 H ALA A 115 14.288 4.790 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 115 16.248 3.131 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.133 1.101 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.847 2.465 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.566 1.944 -6.313 1.00 0.00 H new