USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 894 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 37 SER OG : rot 58:sc= 1.24 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.887 K(o=2.1,f=-0.4) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -170:sc= -4.09! (180deg=-3.59!) USER MOD Set 2.2: A 50 GLN : amide:sc= -8.96! C(o=-13!,f=-14!) USER MOD Set 3.1: A 31 THR OG1 : rot 125:sc= 1.43 USER MOD Set 3.2: A 34 ASN : amide:sc= -0.141 X(o=1.3,f=1.4) USER MOD Set 4.1: A 16 THR OG1 : rot 125:sc= 1.46 USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 1.07 USER MOD Set 4.3: A 20 LYS NZ :NH3+ 138:sc= -1.45 (180deg=-2.7!) USER MOD Set 5.1: A 15 LYS NZ :NH3+ 180:sc= -1.94 (180deg=-1.4) USER MOD Set 5.2: A 77 HIS : no HD1:sc= -1.13 K(o=-3.1,f=-0.94) USER MOD Set 5.3: A 104 SER OG : rot -34:sc= -0.0309 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.342 (180deg=-0.38) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HE2:sc= -5.53! C(o=-5.5!,f=-14!) USER MOD Single : A 4 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.0069) USER MOD Single : A 5 HIS : no HE2:sc= 0.194 K(o=0.19,f=-0.72) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.93 K(o=-0.93,f=-2) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 23 THR OG1 : rot -89:sc= 1.59 USER MOD Single : A 28 SER OG : rot -25:sc= 0.165 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.02 (180deg=0.0016) USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= 1.05 (180deg=-0.296) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 133:sc= -0.38 (180deg=-1.4) USER MOD Single : A 58 GLN : amide:sc= -2.15! K(o=-2.1!,f=0.093) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.42) USER MOD Single : A 71 GLN : amide:sc= -1.54! K(o=-1.5!,f=0) USER MOD Single : A 74 SER OG : rot -115:sc= -1.02 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -143:sc= -0.14 (180deg=-0.892) USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= -1.19 (180deg=-1.32) USER MOD Single : A 106 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0473) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 110 ASN : amide:sc= -3.26! C(o=-3.3!,f=-4.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 106.125 6.744 19.088 1.00 0.00 N ATOM 2 CA MET A 1 107.469 6.486 18.498 1.00 0.00 C ATOM 3 C MET A 1 107.753 4.985 18.516 1.00 0.00 C ATOM 4 O MET A 1 108.870 4.552 18.231 1.00 0.00 O ATOM 5 CB MET A 1 108.531 7.232 19.311 1.00 0.00 C ATOM 6 CG MET A 1 108.362 8.741 19.114 1.00 0.00 C ATOM 7 SD MET A 1 109.720 9.614 19.933 1.00 0.00 S ATOM 8 CE MET A 1 109.056 11.288 19.753 1.00 0.00 C ATOM 0 H1 MET A 1 105.938 7.767 19.092 1.00 0.00 H new ATOM 0 H2 MET A 1 105.399 6.261 18.521 1.00 0.00 H new ATOM 0 H3 MET A 1 106.099 6.384 20.063 1.00 0.00 H new ATOM 0 HA MET A 1 107.494 6.840 17.467 1.00 0.00 H new ATOM 0 HB2 MET A 1 108.438 6.980 20.367 1.00 0.00 H new ATOM 0 HB3 MET A 1 109.528 6.923 18.996 1.00 0.00 H new ATOM 0 HG2 MET A 1 108.351 8.980 18.051 1.00 0.00 H new ATOM 0 HG3 MET A 1 107.406 9.067 19.524 1.00 0.00 H new ATOM 0 HE1 MET A 1 109.747 12.003 20.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 108.928 11.517 18.695 1.00 0.00 H new ATOM 0 HE3 MET A 1 108.092 11.353 20.257 1.00 0.00 H new ATOM 20 N HIS A 2 106.730 4.199 18.847 1.00 0.00 N ATOM 21 CA HIS A 2 106.871 2.745 18.896 1.00 0.00 C ATOM 22 C HIS A 2 107.253 2.197 17.524 1.00 0.00 C ATOM 23 O HIS A 2 107.333 2.949 16.557 1.00 0.00 O ATOM 24 CB HIS A 2 105.553 2.110 19.355 1.00 0.00 C ATOM 25 CG HIS A 2 105.668 1.690 20.794 1.00 0.00 C ATOM 26 ND1 HIS A 2 105.313 2.527 21.840 1.00 0.00 N ATOM 27 CD2 HIS A 2 106.098 0.524 21.377 1.00 0.00 C ATOM 28 CE1 HIS A 2 105.533 1.859 22.986 1.00 0.00 C ATOM 29 NE2 HIS A 2 106.012 0.632 22.762 1.00 0.00 N ATOM 0 H HIS A 2 105.799 4.542 19.084 1.00 0.00 H new ATOM 0 HA HIS A 2 107.661 2.497 19.605 1.00 0.00 H new ATOM 0 HB2 HIS A 2 104.735 2.821 19.238 1.00 0.00 H new ATOM 0 HB3 HIS A 2 105.317 1.247 18.732 1.00 0.00 H new ATOM 0 HD2 HIS A 2 106.450 -0.346 20.842 1.00 0.00 H new ATOM 0 HE1 HIS A 2 105.345 2.265 23.969 1.00 0.00 H new ATOM 0 HE2 HIS A 2 106.261 -0.073 23.456 1.00 0.00 H new ATOM 37 N HIS A 3 107.485 0.879 17.470 1.00 0.00 N ATOM 38 CA HIS A 3 107.864 0.167 16.237 1.00 0.00 C ATOM 39 C HIS A 3 109.152 0.715 15.606 1.00 0.00 C ATOM 40 O HIS A 3 109.937 -0.052 15.045 1.00 0.00 O ATOM 41 CB HIS A 3 106.709 0.161 15.212 1.00 0.00 C ATOM 42 CG HIS A 3 106.457 1.537 14.652 1.00 0.00 C ATOM 43 ND1 HIS A 3 107.396 2.213 13.889 1.00 0.00 N ATOM 44 CD2 HIS A 3 105.370 2.372 14.735 1.00 0.00 C ATOM 45 CE1 HIS A 3 106.860 3.401 13.546 1.00 0.00 C ATOM 46 NE2 HIS A 3 105.627 3.548 14.036 1.00 0.00 N ATOM 0 H HIS A 3 107.415 0.270 18.285 1.00 0.00 H new ATOM 0 HA HIS A 3 108.069 -0.863 16.530 1.00 0.00 H new ATOM 0 HB2 HIS A 3 106.947 -0.525 14.399 1.00 0.00 H new ATOM 0 HB3 HIS A 3 105.801 -0.211 15.688 1.00 0.00 H new ATOM 0 HD1 HIS A 3 108.323 1.873 13.634 1.00 0.00 H new ATOM 0 HD2 HIS A 3 104.454 2.150 15.263 1.00 0.00 H new ATOM 0 HE1 HIS A 3 107.366 4.144 12.947 1.00 0.00 H new ATOM 54 N HIS A 4 109.373 2.026 15.702 1.00 0.00 N ATOM 55 CA HIS A 4 110.574 2.643 15.138 1.00 0.00 C ATOM 56 C HIS A 4 110.771 2.220 13.681 1.00 0.00 C ATOM 57 O HIS A 4 109.841 1.736 13.036 1.00 0.00 O ATOM 58 CB HIS A 4 111.803 2.242 15.964 1.00 0.00 C ATOM 59 CG HIS A 4 111.549 2.535 17.418 1.00 0.00 C ATOM 60 ND1 HIS A 4 111.833 3.767 17.982 1.00 0.00 N ATOM 61 CD2 HIS A 4 111.039 1.766 18.434 1.00 0.00 C ATOM 62 CE1 HIS A 4 111.495 3.704 19.284 1.00 0.00 C ATOM 63 NE2 HIS A 4 111.006 2.507 19.611 1.00 0.00 N ATOM 0 H HIS A 4 108.739 2.679 16.163 1.00 0.00 H new ATOM 0 HA HIS A 4 110.451 3.726 15.170 1.00 0.00 H new ATOM 0 HB2 HIS A 4 112.016 1.182 15.828 1.00 0.00 H new ATOM 0 HB3 HIS A 4 112.680 2.790 15.620 1.00 0.00 H new ATOM 0 HD2 HIS A 4 110.713 0.741 18.335 1.00 0.00 H new ATOM 0 HE1 HIS A 4 111.606 4.523 19.979 1.00 0.00 H new ATOM 0 HE2 HIS A 4 110.678 2.201 20.527 1.00 0.00 H new ATOM 71 N HIS A 5 111.988 2.407 13.172 1.00 0.00 N ATOM 72 CA HIS A 5 112.304 2.043 11.792 1.00 0.00 C ATOM 73 C HIS A 5 111.344 2.725 10.815 1.00 0.00 C ATOM 74 O HIS A 5 111.558 3.875 10.429 1.00 0.00 O ATOM 75 CB HIS A 5 112.232 0.520 11.623 1.00 0.00 C ATOM 76 CG HIS A 5 113.165 -0.141 12.602 1.00 0.00 C ATOM 77 ND1 HIS A 5 112.712 -0.719 13.777 1.00 0.00 N ATOM 78 CD2 HIS A 5 114.525 -0.323 12.594 1.00 0.00 C ATOM 79 CE1 HIS A 5 113.783 -1.217 14.422 1.00 0.00 C ATOM 80 NE2 HIS A 5 114.913 -1.002 13.745 1.00 0.00 N ATOM 0 H HIS A 5 112.769 2.807 13.693 1.00 0.00 H new ATOM 0 HA HIS A 5 113.316 2.382 11.570 1.00 0.00 H new ATOM 0 HB2 HIS A 5 111.212 0.174 11.787 1.00 0.00 H new ATOM 0 HB3 HIS A 5 112.503 0.244 10.604 1.00 0.00 H new ATOM 0 HD1 HIS A 5 111.744 -0.760 14.095 1.00 0.00 H new ATOM 0 HD2 HIS A 5 115.193 0.010 11.813 1.00 0.00 H new ATOM 0 HE1 HIS A 5 113.734 -1.728 15.372 1.00 0.00 H new ATOM 88 N HIS A 6 110.286 2.012 10.424 1.00 0.00 N ATOM 89 CA HIS A 6 109.297 2.555 9.496 1.00 0.00 C ATOM 90 C HIS A 6 109.969 3.016 8.202 1.00 0.00 C ATOM 91 O HIS A 6 109.950 4.200 7.863 1.00 0.00 O ATOM 92 CB HIS A 6 108.554 3.726 10.152 1.00 0.00 C ATOM 93 CG HIS A 6 107.174 3.840 9.562 1.00 0.00 C ATOM 94 ND1 HIS A 6 106.909 4.625 8.450 1.00 0.00 N ATOM 95 CD2 HIS A 6 105.974 3.272 9.915 1.00 0.00 C ATOM 96 CE1 HIS A 6 105.596 4.509 8.176 1.00 0.00 C ATOM 97 NE2 HIS A 6 104.979 3.695 9.039 1.00 0.00 N ATOM 0 H HIS A 6 110.094 1.060 10.736 1.00 0.00 H new ATOM 0 HA HIS A 6 108.581 1.770 9.251 1.00 0.00 H new ATOM 0 HB2 HIS A 6 108.489 3.571 11.229 1.00 0.00 H new ATOM 0 HB3 HIS A 6 109.105 4.653 9.996 1.00 0.00 H new ATOM 0 HD2 HIS A 6 105.825 2.599 10.747 1.00 0.00 H new ATOM 0 HE1 HIS A 6 105.101 5.012 7.359 1.00 0.00 H new ATOM 0 HE2 HIS A 6 103.992 3.439 9.052 1.00 0.00 H new ATOM 105 N HIS A 7 110.566 2.065 7.486 1.00 0.00 N ATOM 106 CA HIS A 7 111.248 2.371 6.232 1.00 0.00 C ATOM 107 C HIS A 7 110.242 2.603 5.107 1.00 0.00 C ATOM 108 O HIS A 7 110.502 3.374 4.182 1.00 0.00 O ATOM 109 CB HIS A 7 112.179 1.215 5.851 1.00 0.00 C ATOM 110 CG HIS A 7 113.322 1.143 6.828 1.00 0.00 C ATOM 111 ND1 HIS A 7 113.121 1.040 8.195 1.00 0.00 N ATOM 112 CD2 HIS A 7 114.683 1.157 6.649 1.00 0.00 C ATOM 113 CE1 HIS A 7 114.332 0.998 8.780 1.00 0.00 C ATOM 114 NE2 HIS A 7 115.318 1.064 7.884 1.00 0.00 N ATOM 0 H HIS A 7 110.591 1.081 7.752 1.00 0.00 H new ATOM 0 HA HIS A 7 111.830 3.282 6.374 1.00 0.00 H new ATOM 0 HB2 HIS A 7 111.627 0.275 5.852 1.00 0.00 H new ATOM 0 HB3 HIS A 7 112.560 1.360 4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 7 115.185 1.229 5.695 1.00 0.00 H new ATOM 0 HE1 HIS A 7 114.487 0.920 9.846 1.00 0.00 H new ATOM 0 HE2 HIS A 7 116.322 1.049 8.065 1.00 0.00 H new ATOM 122 N GLY A 8 109.097 1.929 5.190 1.00 0.00 N ATOM 123 CA GLY A 8 108.061 2.067 4.170 1.00 0.00 C ATOM 124 C GLY A 8 108.531 1.483 2.841 1.00 0.00 C ATOM 125 O GLY A 8 108.750 2.214 1.874 1.00 0.00 O ATOM 0 H GLY A 8 108.864 1.286 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 8 107.153 1.559 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 8 107.808 3.119 4.041 1.00 0.00 H new ATOM 129 N GLU A 9 108.690 0.162 2.808 1.00 0.00 N ATOM 130 CA GLU A 9 109.142 -0.523 1.599 1.00 0.00 C ATOM 131 C GLU A 9 107.993 -1.295 0.954 1.00 0.00 C ATOM 132 O GLU A 9 108.151 -1.870 -0.124 1.00 0.00 O ATOM 133 CB GLU A 9 110.279 -1.490 1.950 1.00 0.00 C ATOM 134 CG GLU A 9 111.112 -1.796 0.698 1.00 0.00 C ATOM 135 CD GLU A 9 110.726 -3.159 0.124 1.00 0.00 C ATOM 136 OE1 GLU A 9 110.826 -4.137 0.848 1.00 0.00 O ATOM 137 OE2 GLU A 9 110.339 -3.207 -1.032 1.00 0.00 O ATOM 0 H GLU A 9 108.513 -0.454 3.602 1.00 0.00 H new ATOM 0 HA GLU A 9 109.500 0.223 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 9 110.913 -1.054 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 9 109.869 -2.413 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 9 110.953 -1.020 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 9 112.173 -1.786 0.947 1.00 0.00 H new ATOM 144 N PHE A 10 106.840 -1.307 1.618 1.00 0.00 N ATOM 145 CA PHE A 10 105.675 -2.016 1.099 1.00 0.00 C ATOM 146 C PHE A 10 104.543 -1.036 0.826 1.00 0.00 C ATOM 147 O PHE A 10 104.098 -0.319 1.723 1.00 0.00 O ATOM 148 CB PHE A 10 105.211 -3.074 2.108 1.00 0.00 C ATOM 149 CG PHE A 10 106.412 -3.663 2.815 1.00 0.00 C ATOM 150 CD1 PHE A 10 107.332 -4.442 2.103 1.00 0.00 C ATOM 151 CD2 PHE A 10 106.605 -3.427 4.182 1.00 0.00 C ATOM 152 CE1 PHE A 10 108.445 -4.984 2.757 1.00 0.00 C ATOM 153 CE2 PHE A 10 107.718 -3.970 4.835 1.00 0.00 C ATOM 154 CZ PHE A 10 108.638 -4.749 4.124 1.00 0.00 C ATOM 0 H PHE A 10 106.688 -0.837 2.510 1.00 0.00 H new ATOM 0 HA PHE A 10 105.952 -2.508 0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 10 104.533 -2.626 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 10 104.656 -3.860 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.183 -4.625 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 10 105.896 -2.826 4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 10 109.155 -5.584 2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 10 107.867 -3.787 5.889 1.00 0.00 H new ATOM 0 HZ PHE A 10 109.496 -5.168 4.629 1.00 0.00 H new ATOM 164 N GLN A 11 104.087 -1.011 -0.420 1.00 0.00 N ATOM 165 CA GLN A 11 103.006 -0.118 -0.813 1.00 0.00 C ATOM 166 C GLN A 11 101.867 -0.902 -1.459 1.00 0.00 C ATOM 167 O GLN A 11 102.047 -1.538 -2.498 1.00 0.00 O ATOM 168 CB GLN A 11 103.535 0.944 -1.782 1.00 0.00 C ATOM 169 CG GLN A 11 104.200 0.276 -2.991 1.00 0.00 C ATOM 170 CD GLN A 11 105.556 0.920 -3.265 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.559 0.531 -2.668 1.00 0.00 O ATOM 172 NE2 GLN A 11 105.645 1.890 -4.134 1.00 0.00 N ATOM 0 H GLN A 11 104.448 -1.597 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 11 102.619 0.374 0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 11 102.717 1.582 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 11 104.253 1.586 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.326 -0.790 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 11 103.559 0.372 -3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 11 104.812 2.211 -4.628 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.548 2.327 -4.319 1.00 0.00 H new ATOM 181 N ILE A 12 100.696 -0.854 -0.830 1.00 0.00 N ATOM 182 CA ILE A 12 99.532 -1.567 -1.346 1.00 0.00 C ATOM 183 C ILE A 12 98.935 -0.829 -2.541 1.00 0.00 C ATOM 184 O ILE A 12 99.420 0.233 -2.932 1.00 0.00 O ATOM 185 CB ILE A 12 98.470 -1.711 -0.250 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.002 -0.319 0.199 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.063 -2.468 0.943 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.721 -0.448 1.026 1.00 0.00 C ATOM 0 H ILE A 12 100.529 -0.333 0.031 1.00 0.00 H new ATOM 0 HA ILE A 12 99.855 -2.557 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 12 97.618 -2.267 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.780 0.164 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.823 0.313 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.307 -2.570 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.388 -3.457 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.917 -1.916 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.391 0.541 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.943 -0.913 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.915 -1.064 1.904 1.00 0.00 H new ATOM 200 N PHE A 13 97.872 -1.397 -3.101 1.00 0.00 N ATOM 201 CA PHE A 13 97.196 -0.787 -4.238 1.00 0.00 C ATOM 202 C PHE A 13 95.712 -0.650 -3.940 1.00 0.00 C ATOM 203 O PHE A 13 95.089 -1.576 -3.426 1.00 0.00 O ATOM 204 CB PHE A 13 97.397 -1.636 -5.498 1.00 0.00 C ATOM 205 CG PHE A 13 98.870 -1.702 -5.831 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.674 -2.691 -5.252 1.00 0.00 C ATOM 207 CD2 PHE A 13 99.431 -0.772 -6.715 1.00 0.00 C ATOM 208 CE1 PHE A 13 101.039 -2.750 -5.558 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.795 -0.831 -7.019 1.00 0.00 C ATOM 210 CZ PHE A 13 101.600 -1.820 -6.441 1.00 0.00 C ATOM 0 H PHE A 13 97.462 -2.276 -2.786 1.00 0.00 H new ATOM 0 HA PHE A 13 97.623 0.201 -4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 13 97.004 -2.640 -5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.844 -1.205 -6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 13 99.242 -3.408 -4.570 1.00 0.00 H new ATOM 0 HD2 PHE A 13 98.811 -0.009 -7.162 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.659 -3.514 -5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 13 101.228 -0.113 -7.700 1.00 0.00 H new ATOM 0 HZ PHE A 13 102.653 -1.865 -6.676 1.00 0.00 H new ATOM 220 N ALA A 14 95.155 0.511 -4.262 1.00 0.00 N ATOM 221 CA ALA A 14 93.741 0.768 -4.023 1.00 0.00 C ATOM 222 C ALA A 14 93.051 1.152 -5.326 1.00 0.00 C ATOM 223 O ALA A 14 93.647 1.806 -6.182 1.00 0.00 O ATOM 224 CB ALA A 14 93.577 1.897 -3.003 1.00 0.00 C ATOM 0 H ALA A 14 95.660 1.288 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 14 93.283 -0.139 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.516 2.081 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.052 1.611 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.046 2.804 -3.385 1.00 0.00 H new ATOM 230 N LYS A 15 91.794 0.741 -5.469 1.00 0.00 N ATOM 231 CA LYS A 15 91.035 1.052 -6.674 1.00 0.00 C ATOM 232 C LYS A 15 89.737 1.768 -6.329 1.00 0.00 C ATOM 233 O LYS A 15 88.854 1.200 -5.686 1.00 0.00 O ATOM 234 CB LYS A 15 90.718 -0.230 -7.447 1.00 0.00 C ATOM 235 CG LYS A 15 90.196 0.137 -8.842 1.00 0.00 C ATOM 236 CD LYS A 15 91.069 -0.525 -9.915 1.00 0.00 C ATOM 237 CE LYS A 15 90.466 -1.873 -10.316 1.00 0.00 C ATOM 238 NZ LYS A 15 90.405 -2.768 -9.124 1.00 0.00 N ATOM 0 H LYS A 15 91.285 0.197 -4.772 1.00 0.00 H new ATOM 0 HA LYS A 15 91.645 1.709 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.612 -0.848 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 15 89.973 -0.818 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.161 -0.189 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.205 1.219 -8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.144 0.124 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.081 -0.667 -9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 15 89.467 -1.728 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 15 91.068 -2.334 -11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 89.995 -3.684 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 91.365 -2.916 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 89.813 -2.329 -8.390 1.00 0.00 H new ATOM 252 N THR A 16 89.629 3.018 -6.767 1.00 0.00 N ATOM 253 CA THR A 16 88.431 3.807 -6.509 1.00 0.00 C ATOM 254 C THR A 16 87.229 3.192 -7.217 1.00 0.00 C ATOM 255 O THR A 16 87.385 2.375 -8.127 1.00 0.00 O ATOM 256 CB THR A 16 88.636 5.243 -6.997 1.00 0.00 C ATOM 257 OG1 THR A 16 88.975 5.227 -8.376 1.00 0.00 O ATOM 258 CG2 THR A 16 89.764 5.898 -6.197 1.00 0.00 C ATOM 0 H THR A 16 90.351 3.503 -7.299 1.00 0.00 H new ATOM 0 HA THR A 16 88.244 3.814 -5.435 1.00 0.00 H new ATOM 0 HB THR A 16 87.717 5.812 -6.856 1.00 0.00 H new ATOM 0 HG1 THR A 16 88.349 5.794 -8.873 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.910 6.921 -6.544 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.501 5.908 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.685 5.332 -6.337 1.00 0.00 H new ATOM 266 N LEU A 17 86.030 3.587 -6.797 1.00 0.00 N ATOM 267 CA LEU A 17 84.809 3.065 -7.399 1.00 0.00 C ATOM 268 C LEU A 17 84.693 3.515 -8.855 1.00 0.00 C ATOM 269 O LEU A 17 83.852 3.015 -9.603 1.00 0.00 O ATOM 270 CB LEU A 17 83.590 3.544 -6.601 1.00 0.00 C ATOM 271 CG LEU A 17 82.359 2.682 -6.926 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.718 1.192 -6.878 1.00 0.00 C ATOM 273 CD2 LEU A 17 81.261 2.964 -5.898 1.00 0.00 C ATOM 0 H LEU A 17 85.879 4.262 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 17 84.847 1.976 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.805 3.494 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.382 4.588 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 17 82.011 2.931 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.835 0.597 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 17 83.499 0.982 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 17 83.076 0.936 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 80.386 2.355 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 17 81.625 2.719 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 17 80.989 4.019 -5.936 1.00 0.00 H new ATOM 285 N THR A 18 85.551 4.455 -9.249 1.00 0.00 N ATOM 286 CA THR A 18 85.548 4.962 -10.618 1.00 0.00 C ATOM 287 C THR A 18 86.433 4.092 -11.508 1.00 0.00 C ATOM 288 O THR A 18 86.298 4.104 -12.733 1.00 0.00 O ATOM 289 CB THR A 18 86.053 6.409 -10.645 1.00 0.00 C ATOM 290 OG1 THR A 18 87.385 6.455 -10.151 1.00 0.00 O ATOM 291 CG2 THR A 18 85.152 7.287 -9.771 1.00 0.00 C ATOM 0 H THR A 18 86.253 4.878 -8.642 1.00 0.00 H new ATOM 0 HA THR A 18 84.526 4.932 -10.996 1.00 0.00 H new ATOM 0 HB THR A 18 86.032 6.780 -11.670 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.709 7.380 -10.169 1.00 0.00 H new ATOM 0 HG21 THR A 18 85.514 8.315 -9.793 1.00 0.00 H new ATOM 0 HG22 THR A 18 84.131 7.254 -10.152 1.00 0.00 H new ATOM 0 HG23 THR A 18 85.169 6.918 -8.745 1.00 0.00 H new ATOM 299 N GLY A 19 87.334 3.336 -10.882 1.00 0.00 N ATOM 300 CA GLY A 19 88.239 2.456 -11.618 1.00 0.00 C ATOM 301 C GLY A 19 89.624 3.081 -11.758 1.00 0.00 C ATOM 302 O GLY A 19 90.290 2.911 -12.780 1.00 0.00 O ATOM 0 H GLY A 19 87.456 3.315 -9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.319 1.499 -11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 19 87.828 2.252 -12.607 1.00 0.00 H new ATOM 306 N LYS A 20 90.051 3.801 -10.723 1.00 0.00 N ATOM 307 CA LYS A 20 91.362 4.449 -10.734 1.00 0.00 C ATOM 308 C LYS A 20 92.338 3.692 -9.841 1.00 0.00 C ATOM 309 O LYS A 20 92.012 3.352 -8.704 1.00 0.00 O ATOM 310 CB LYS A 20 91.231 5.893 -10.239 1.00 0.00 C ATOM 311 CG LYS A 20 92.400 6.733 -10.769 1.00 0.00 C ATOM 312 CD LYS A 20 92.699 7.876 -9.792 1.00 0.00 C ATOM 313 CE LYS A 20 91.509 8.840 -9.741 1.00 0.00 C ATOM 314 NZ LYS A 20 90.498 8.332 -8.770 1.00 0.00 N ATOM 0 H LYS A 20 89.512 3.950 -9.870 1.00 0.00 H new ATOM 0 HA LYS A 20 91.743 4.446 -11.755 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.285 6.318 -10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 20 91.221 5.914 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 20 93.284 6.107 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 20 92.155 7.136 -11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 20 92.896 7.475 -8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.597 8.409 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 20 91.845 9.834 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 20 91.062 8.936 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 90.130 9.124 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 89.715 7.883 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 90.942 7.634 -8.140 1.00 0.00 H new ATOM 328 N THR A 21 93.539 3.436 -10.357 1.00 0.00 N ATOM 329 CA THR A 21 94.558 2.722 -9.591 1.00 0.00 C ATOM 330 C THR A 21 95.393 3.706 -8.776 1.00 0.00 C ATOM 331 O THR A 21 95.951 4.659 -9.321 1.00 0.00 O ATOM 332 CB THR A 21 95.474 1.928 -10.532 1.00 0.00 C ATOM 333 OG1 THR A 21 95.326 2.409 -11.861 1.00 0.00 O ATOM 334 CG2 THR A 21 95.105 0.444 -10.480 1.00 0.00 C ATOM 0 H THR A 21 93.829 3.710 -11.296 1.00 0.00 H new ATOM 0 HA THR A 21 94.057 2.031 -8.914 1.00 0.00 H new ATOM 0 HB THR A 21 96.509 2.053 -10.215 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.913 1.902 -12.460 1.00 0.00 H new ATOM 0 HG21 THR A 21 95.757 -0.117 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 21 95.226 0.074 -9.462 1.00 0.00 H new ATOM 0 HG23 THR A 21 94.068 0.316 -10.792 1.00 0.00 H new ATOM 342 N ILE A 22 95.469 3.468 -7.469 1.00 0.00 N ATOM 343 CA ILE A 22 96.234 4.340 -6.579 1.00 0.00 C ATOM 344 C ILE A 22 97.126 3.512 -5.656 1.00 0.00 C ATOM 345 O ILE A 22 96.661 2.573 -5.010 1.00 0.00 O ATOM 346 CB ILE A 22 95.280 5.201 -5.745 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.255 5.875 -6.669 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.079 6.276 -5.000 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.094 6.423 -5.839 1.00 0.00 C ATOM 0 H ILE A 22 95.013 2.683 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 22 96.866 4.988 -7.186 1.00 0.00 H new ATOM 0 HB ILE A 22 94.760 4.570 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.729 6.683 -7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.884 5.158 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.400 6.888 -4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.806 5.799 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.600 6.906 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.369 6.900 -6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.613 5.606 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.471 7.154 -5.124 1.00 0.00 H new ATOM 361 N THR A 23 98.410 3.863 -5.607 1.00 0.00 N ATOM 362 CA THR A 23 99.369 3.144 -4.769 1.00 0.00 C ATOM 363 C THR A 23 99.756 3.977 -3.547 1.00 0.00 C ATOM 364 O THR A 23 100.124 5.144 -3.675 1.00 0.00 O ATOM 365 CB THR A 23 100.623 2.818 -5.586 1.00 0.00 C ATOM 366 OG1 THR A 23 100.239 2.289 -6.848 1.00 0.00 O ATOM 367 CG2 THR A 23 101.475 1.790 -4.840 1.00 0.00 C ATOM 0 H THR A 23 98.810 4.638 -6.136 1.00 0.00 H new ATOM 0 HA THR A 23 98.903 2.221 -4.425 1.00 0.00 H new ATOM 0 HB THR A 23 101.205 3.728 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.141 1.316 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.366 1.562 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.771 2.196 -3.873 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.896 0.879 -4.689 1.00 0.00 H new ATOM 375 N LEU A 24 99.673 3.366 -2.366 1.00 0.00 N ATOM 376 CA LEU A 24 100.019 4.058 -1.123 1.00 0.00 C ATOM 377 C LEU A 24 100.937 3.197 -0.253 1.00 0.00 C ATOM 378 O LEU A 24 100.737 1.987 -0.128 1.00 0.00 O ATOM 379 CB LEU A 24 98.747 4.412 -0.339 1.00 0.00 C ATOM 380 CG LEU A 24 97.690 3.314 -0.525 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.791 3.254 0.713 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.835 3.624 -1.760 1.00 0.00 C ATOM 0 H LEU A 24 99.371 2.399 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 24 100.548 4.974 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.982 4.525 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.353 5.369 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 24 98.189 2.354 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.041 2.474 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.396 3.030 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.295 4.215 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.086 2.843 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.338 4.585 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.473 3.665 -2.643 1.00 0.00 H new ATOM 394 N GLU A 25 101.944 3.838 0.344 1.00 0.00 N ATOM 395 CA GLU A 25 102.897 3.138 1.205 1.00 0.00 C ATOM 396 C GLU A 25 102.309 2.925 2.598 1.00 0.00 C ATOM 397 O GLU A 25 102.169 3.873 3.372 1.00 0.00 O ATOM 398 CB GLU A 25 104.194 3.946 1.315 1.00 0.00 C ATOM 399 CG GLU A 25 105.021 3.768 0.039 1.00 0.00 C ATOM 400 CD GLU A 25 106.236 4.690 0.071 1.00 0.00 C ATOM 401 OE1 GLU A 25 107.258 4.276 0.593 1.00 0.00 O ATOM 402 OE2 GLU A 25 106.128 5.798 -0.428 1.00 0.00 O ATOM 0 H GLU A 25 102.120 4.838 0.247 1.00 0.00 H new ATOM 0 HA GLU A 25 103.110 2.166 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 25 103.965 5.001 1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.768 3.616 2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.344 2.731 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 25 104.409 3.990 -0.835 1.00 0.00 H new ATOM 409 N VAL A 26 101.961 1.678 2.904 1.00 0.00 N ATOM 410 CA VAL A 26 101.380 1.353 4.206 1.00 0.00 C ATOM 411 C VAL A 26 102.063 0.144 4.840 1.00 0.00 C ATOM 412 O VAL A 26 102.856 -0.549 4.202 1.00 0.00 O ATOM 413 CB VAL A 26 99.882 1.069 4.057 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.195 2.267 3.394 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.679 -0.179 3.193 1.00 0.00 C ATOM 0 H VAL A 26 102.069 0.882 2.276 1.00 0.00 H new ATOM 0 HA VAL A 26 101.532 2.213 4.858 1.00 0.00 H new ATOM 0 HB VAL A 26 99.447 0.902 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.129 2.063 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.335 3.154 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.631 2.437 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.613 -0.379 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.116 -0.015 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.164 -1.032 3.667 1.00 0.00 H new ATOM 425 N GLU A 27 101.726 -0.097 6.105 1.00 0.00 N ATOM 426 CA GLU A 27 102.282 -1.222 6.849 1.00 0.00 C ATOM 427 C GLU A 27 101.439 -2.470 6.609 1.00 0.00 C ATOM 428 O GLU A 27 100.282 -2.372 6.204 1.00 0.00 O ATOM 429 CB GLU A 27 102.314 -0.895 8.344 1.00 0.00 C ATOM 430 CG GLU A 27 103.234 0.308 8.586 1.00 0.00 C ATOM 431 CD GLU A 27 102.817 1.038 9.860 1.00 0.00 C ATOM 432 OE1 GLU A 27 101.914 1.855 9.782 1.00 0.00 O ATOM 433 OE2 GLU A 27 103.408 0.770 10.894 1.00 0.00 O ATOM 0 H GLU A 27 101.069 0.474 6.636 1.00 0.00 H new ATOM 0 HA GLU A 27 103.299 -1.407 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.308 -0.674 8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.670 -1.757 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.268 -0.026 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.187 0.988 7.736 1.00 0.00 H new ATOM 440 N SER A 28 102.023 -3.639 6.850 1.00 0.00 N ATOM 441 CA SER A 28 101.309 -4.897 6.644 1.00 0.00 C ATOM 442 C SER A 28 100.159 -5.057 7.636 1.00 0.00 C ATOM 443 O SER A 28 99.287 -5.901 7.444 1.00 0.00 O ATOM 444 CB SER A 28 102.278 -6.071 6.792 1.00 0.00 C ATOM 445 OG SER A 28 101.647 -7.262 6.336 1.00 0.00 O ATOM 0 H SER A 28 102.981 -3.743 7.185 1.00 0.00 H new ATOM 0 HA SER A 28 100.890 -4.884 5.638 1.00 0.00 H new ATOM 0 HB2 SER A 28 103.185 -5.883 6.217 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.578 -6.181 7.834 1.00 0.00 H new ATOM 0 HG SER A 28 100.674 -7.165 6.407 1.00 0.00 H new ATOM 451 N SER A 29 100.186 -4.274 8.712 1.00 0.00 N ATOM 452 CA SER A 29 99.160 -4.360 9.747 1.00 0.00 C ATOM 453 C SER A 29 98.392 -3.047 9.885 1.00 0.00 C ATOM 454 O SER A 29 97.536 -2.915 10.762 1.00 0.00 O ATOM 455 CB SER A 29 99.811 -4.707 11.086 1.00 0.00 C ATOM 456 OG SER A 29 100.687 -3.655 11.470 1.00 0.00 O ATOM 0 H SER A 29 100.906 -3.574 8.889 1.00 0.00 H new ATOM 0 HA SER A 29 98.455 -5.139 9.457 1.00 0.00 H new ATOM 0 HB2 SER A 29 99.046 -4.855 11.848 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.363 -5.643 11.003 1.00 0.00 H new ATOM 0 HG SER A 29 101.104 -3.874 12.329 1.00 0.00 H new ATOM 462 N ASP A 30 98.704 -2.076 9.026 1.00 0.00 N ATOM 463 CA ASP A 30 98.034 -0.775 9.074 1.00 0.00 C ATOM 464 C ASP A 30 96.517 -0.948 9.172 1.00 0.00 C ATOM 465 O ASP A 30 95.982 -2.011 8.854 1.00 0.00 O ATOM 466 CB ASP A 30 98.382 0.046 7.825 1.00 0.00 C ATOM 467 CG ASP A 30 99.183 1.293 8.206 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.880 1.885 9.229 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.087 1.640 7.464 1.00 0.00 O ATOM 0 H ASP A 30 99.410 -2.163 8.295 1.00 0.00 H new ATOM 0 HA ASP A 30 98.382 -0.246 9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.959 -0.565 7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.468 0.338 7.309 1.00 0.00 H new ATOM 474 N THR A 31 95.831 0.104 9.613 1.00 0.00 N ATOM 475 CA THR A 31 94.377 0.058 9.754 1.00 0.00 C ATOM 476 C THR A 31 93.700 0.878 8.660 1.00 0.00 C ATOM 477 O THR A 31 94.361 1.594 7.908 1.00 0.00 O ATOM 478 CB THR A 31 93.964 0.601 11.127 1.00 0.00 C ATOM 479 OG1 THR A 31 94.173 2.007 11.165 1.00 0.00 O ATOM 480 CG2 THR A 31 94.798 -0.070 12.221 1.00 0.00 C ATOM 0 H THR A 31 96.255 0.993 9.877 1.00 0.00 H new ATOM 0 HA THR A 31 94.060 -0.981 9.662 1.00 0.00 H new ATOM 0 HB THR A 31 92.909 0.386 11.296 1.00 0.00 H new ATOM 0 HG1 THR A 31 93.337 2.455 11.411 1.00 0.00 H new ATOM 0 HG21 THR A 31 94.501 0.319 13.195 1.00 0.00 H new ATOM 0 HG22 THR A 31 94.633 -1.147 12.195 1.00 0.00 H new ATOM 0 HG23 THR A 31 95.854 0.140 12.053 1.00 0.00 H new ATOM 488 N ILE A 32 92.374 0.770 8.581 1.00 0.00 N ATOM 489 CA ILE A 32 91.610 1.509 7.580 1.00 0.00 C ATOM 490 C ILE A 32 91.919 2.999 7.674 1.00 0.00 C ATOM 491 O ILE A 32 92.252 3.631 6.674 1.00 0.00 O ATOM 492 CB ILE A 32 90.108 1.276 7.783 1.00 0.00 C ATOM 493 CG1 ILE A 32 89.769 -0.194 7.501 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.306 2.180 6.838 1.00 0.00 C ATOM 495 CD1 ILE A 32 89.808 -0.469 5.991 1.00 0.00 C ATOM 0 H ILE A 32 91.811 0.181 9.195 1.00 0.00 H new ATOM 0 HA ILE A 32 91.895 1.150 6.591 1.00 0.00 H new ATOM 0 HB ILE A 32 89.847 1.516 8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.479 -0.843 8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 32 88.780 -0.428 7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.240 2.009 6.988 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.539 3.224 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 32 89.568 1.951 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 32 89.566 -1.515 5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 32 89.081 0.167 5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 32 90.805 -0.254 5.608 1.00 0.00 H new ATOM 507 N ASP A 33 91.802 3.554 8.880 1.00 0.00 N ATOM 508 CA ASP A 33 92.075 4.975 9.092 1.00 0.00 C ATOM 509 C ASP A 33 93.357 5.387 8.375 1.00 0.00 C ATOM 510 O ASP A 33 93.388 6.396 7.669 1.00 0.00 O ATOM 511 CB ASP A 33 92.205 5.267 10.591 1.00 0.00 C ATOM 512 CG ASP A 33 91.286 4.343 11.390 1.00 0.00 C ATOM 513 OD1 ASP A 33 90.111 4.654 11.498 1.00 0.00 O ATOM 514 OD2 ASP A 33 91.770 3.335 11.878 1.00 0.00 O ATOM 0 H ASP A 33 91.522 3.046 9.719 1.00 0.00 H new ATOM 0 HA ASP A 33 91.244 5.550 8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 33 93.238 5.127 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 33 91.949 6.308 10.790 1.00 0.00 H new ATOM 519 N ASN A 34 94.410 4.589 8.553 1.00 0.00 N ATOM 520 CA ASN A 34 95.690 4.868 7.909 1.00 0.00 C ATOM 521 C ASN A 34 95.548 4.761 6.394 1.00 0.00 C ATOM 522 O ASN A 34 96.104 5.566 5.649 1.00 0.00 O ATOM 523 CB ASN A 34 96.746 3.871 8.393 1.00 0.00 C ATOM 524 CG ASN A 34 97.089 4.138 9.856 1.00 0.00 C ATOM 525 OD1 ASN A 34 97.841 5.064 10.158 1.00 0.00 O ATOM 526 ND2 ASN A 34 96.580 3.377 10.786 1.00 0.00 N ATOM 0 H ASN A 34 94.401 3.751 9.134 1.00 0.00 H new ATOM 0 HA ASN A 34 96.001 5.880 8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.375 2.852 8.279 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.644 3.954 7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 34 96.805 3.549 11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 34 95.957 2.610 10.533 1.00 0.00 H new ATOM 533 N VAL A 35 94.783 3.765 5.956 1.00 0.00 N ATOM 534 CA VAL A 35 94.550 3.557 4.529 1.00 0.00 C ATOM 535 C VAL A 35 93.804 4.756 3.946 1.00 0.00 C ATOM 536 O VAL A 35 94.185 5.292 2.902 1.00 0.00 O ATOM 537 CB VAL A 35 93.737 2.275 4.302 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.447 2.104 2.807 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.537 1.066 4.802 1.00 0.00 C ATOM 0 H VAL A 35 94.316 3.092 6.564 1.00 0.00 H new ATOM 0 HA VAL A 35 95.512 3.454 4.028 1.00 0.00 H new ATOM 0 HB VAL A 35 92.797 2.346 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 35 92.870 1.193 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 35 92.878 2.961 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.387 2.037 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 35 93.960 0.156 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.478 1.001 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 35 94.743 1.181 5.866 1.00 0.00 H new ATOM 549 N LYS A 36 92.746 5.179 4.637 1.00 0.00 N ATOM 550 CA LYS A 36 91.953 6.319 4.196 1.00 0.00 C ATOM 551 C LYS A 36 92.832 7.564 4.100 1.00 0.00 C ATOM 552 O LYS A 36 93.029 8.112 3.016 1.00 0.00 O ATOM 553 CB LYS A 36 90.806 6.569 5.182 1.00 0.00 C ATOM 554 CG LYS A 36 90.012 5.275 5.399 1.00 0.00 C ATOM 555 CD LYS A 36 88.651 5.370 4.698 1.00 0.00 C ATOM 556 CE LYS A 36 88.526 4.248 3.667 1.00 0.00 C ATOM 557 NZ LYS A 36 89.549 4.439 2.601 1.00 0.00 N ATOM 0 H LYS A 36 92.421 4.748 5.503 1.00 0.00 H new ATOM 0 HA LYS A 36 91.539 6.101 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.203 6.926 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.149 7.349 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 36 90.572 4.425 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 36 89.869 5.101 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 36 87.847 5.296 5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.549 6.339 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 36 88.663 3.280 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 36 87.527 4.249 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 89.360 3.783 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 89.508 5.418 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 90.495 4.250 2.990 1.00 0.00 H new ATOM 571 N SER A 37 93.357 8.003 5.243 1.00 0.00 N ATOM 572 CA SER A 37 94.219 9.181 5.282 1.00 0.00 C ATOM 573 C SER A 37 95.307 9.073 4.214 1.00 0.00 C ATOM 574 O SER A 37 95.537 10.014 3.453 1.00 0.00 O ATOM 575 CB SER A 37 94.854 9.312 6.669 1.00 0.00 C ATOM 576 OG SER A 37 96.063 10.053 6.573 1.00 0.00 O ATOM 0 H SER A 37 93.201 7.563 6.150 1.00 0.00 H new ATOM 0 HA SER A 37 93.618 10.068 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 37 94.164 9.810 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 37 95.054 8.324 7.083 1.00 0.00 H new ATOM 0 HG SER A 37 95.876 10.935 6.190 1.00 0.00 H new ATOM 582 N LYS A 38 95.966 7.916 4.160 1.00 0.00 N ATOM 583 CA LYS A 38 97.019 7.692 3.172 1.00 0.00 C ATOM 584 C LYS A 38 96.534 8.111 1.788 1.00 0.00 C ATOM 585 O LYS A 38 97.307 8.620 0.975 1.00 0.00 O ATOM 586 CB LYS A 38 97.423 6.214 3.150 1.00 0.00 C ATOM 587 CG LYS A 38 98.499 5.958 4.210 1.00 0.00 C ATOM 588 CD LYS A 38 99.886 6.188 3.602 1.00 0.00 C ATOM 589 CE LYS A 38 100.922 6.316 4.721 1.00 0.00 C ATOM 590 NZ LYS A 38 102.190 6.867 4.164 1.00 0.00 N ATOM 0 H LYS A 38 95.791 7.127 4.782 1.00 0.00 H new ATOM 0 HA LYS A 38 97.886 8.292 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.553 5.586 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 38 97.799 5.944 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.350 6.622 5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.420 4.937 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.147 5.360 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 38 99.881 7.091 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 38 100.544 6.969 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.105 5.342 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.770 7.253 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 102.715 6.110 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 101.971 7.623 3.485 1.00 0.00 H new ATOM 604 N ILE A 39 95.243 7.898 1.533 1.00 0.00 N ATOM 605 CA ILE A 39 94.654 8.261 0.248 1.00 0.00 C ATOM 606 C ILE A 39 94.555 9.783 0.111 1.00 0.00 C ATOM 607 O ILE A 39 94.827 10.328 -0.958 1.00 0.00 O ATOM 608 CB ILE A 39 93.266 7.606 0.100 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.239 6.742 -1.169 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.163 8.669 0.015 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.451 7.618 -2.410 1.00 0.00 C ATOM 0 H ILE A 39 94.590 7.479 2.195 1.00 0.00 H new ATOM 0 HA ILE A 39 95.299 7.893 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 39 93.083 6.986 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 39 94.016 5.980 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.285 6.220 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.194 8.181 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.169 9.273 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.341 9.310 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.430 6.994 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.658 8.363 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.416 8.120 -2.341 1.00 0.00 H new ATOM 623 N GLN A 40 94.153 10.466 1.188 1.00 0.00 N ATOM 624 CA GLN A 40 94.018 11.924 1.150 1.00 0.00 C ATOM 625 C GLN A 40 95.331 12.571 0.720 1.00 0.00 C ATOM 626 O GLN A 40 95.335 13.622 0.085 1.00 0.00 O ATOM 627 CB GLN A 40 93.578 12.464 2.520 1.00 0.00 C ATOM 628 CG GLN A 40 94.792 12.905 3.349 1.00 0.00 C ATOM 629 CD GLN A 40 94.402 13.021 4.821 1.00 0.00 C ATOM 630 OE1 GLN A 40 95.010 12.381 5.677 1.00 0.00 O ATOM 631 NE2 GLN A 40 93.418 13.805 5.165 1.00 0.00 N ATOM 0 H GLN A 40 93.919 10.039 2.084 1.00 0.00 H new ATOM 0 HA GLN A 40 93.251 12.177 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.900 13.307 2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 40 93.025 11.694 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 40 95.603 12.185 3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.163 13.863 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 40 92.915 14.335 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 40 93.151 13.888 6.146 1.00 0.00 H new ATOM 640 N ASP A 41 96.444 11.930 1.047 1.00 0.00 N ATOM 641 CA ASP A 41 97.745 12.458 0.659 1.00 0.00 C ATOM 642 C ASP A 41 97.922 12.296 -0.851 1.00 0.00 C ATOM 643 O ASP A 41 98.708 13.005 -1.481 1.00 0.00 O ATOM 644 CB ASP A 41 98.856 11.714 1.420 1.00 0.00 C ATOM 645 CG ASP A 41 100.011 11.352 0.488 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.856 12.203 0.263 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.032 10.229 0.010 1.00 0.00 O ATOM 0 H ASP A 41 96.474 11.056 1.572 1.00 0.00 H new ATOM 0 HA ASP A 41 97.806 13.517 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 41 99.224 12.337 2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.450 10.808 1.870 1.00 0.00 H new ATOM 652 N LYS A 42 97.186 11.337 -1.410 1.00 0.00 N ATOM 653 CA LYS A 42 97.258 11.048 -2.838 1.00 0.00 C ATOM 654 C LYS A 42 96.216 11.830 -3.644 1.00 0.00 C ATOM 655 O LYS A 42 96.523 12.327 -4.728 1.00 0.00 O ATOM 656 CB LYS A 42 97.050 9.547 -3.075 1.00 0.00 C ATOM 657 CG LYS A 42 98.031 8.738 -2.215 1.00 0.00 C ATOM 658 CD LYS A 42 99.437 8.799 -2.823 1.00 0.00 C ATOM 659 CE LYS A 42 99.463 8.031 -4.148 1.00 0.00 C ATOM 660 NZ LYS A 42 100.867 7.648 -4.471 1.00 0.00 N ATOM 0 H LYS A 42 96.533 10.747 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 42 98.246 11.357 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.025 9.270 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.199 9.313 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.048 9.133 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 42 97.700 7.702 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.727 9.837 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 42 100.162 8.372 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 42 98.839 7.140 -4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 42 99.050 8.647 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 101.055 7.833 -5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.522 8.207 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 101.005 6.636 -4.274 1.00 0.00 H new ATOM 674 N GLU A 43 94.980 11.911 -3.142 1.00 0.00 N ATOM 675 CA GLU A 43 93.916 12.607 -3.874 1.00 0.00 C ATOM 676 C GLU A 43 93.276 13.731 -3.053 1.00 0.00 C ATOM 677 O GLU A 43 92.288 14.328 -3.485 1.00 0.00 O ATOM 678 CB GLU A 43 92.833 11.602 -4.272 1.00 0.00 C ATOM 679 CG GLU A 43 93.452 10.486 -5.118 1.00 0.00 C ATOM 680 CD GLU A 43 92.355 9.588 -5.683 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.569 9.078 -4.900 1.00 0.00 O ATOM 682 OE2 GLU A 43 92.317 9.422 -6.890 1.00 0.00 O ATOM 0 H GLU A 43 94.694 11.511 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 43 94.371 13.059 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.369 11.181 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 43 92.046 12.104 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 43 94.036 10.917 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 43 94.139 9.897 -4.511 1.00 0.00 H new ATOM 689 N GLY A 44 93.838 14.025 -1.887 1.00 0.00 N ATOM 690 CA GLY A 44 93.300 15.091 -1.036 1.00 0.00 C ATOM 691 C GLY A 44 92.009 14.659 -0.342 1.00 0.00 C ATOM 692 O GLY A 44 91.717 15.100 0.771 1.00 0.00 O ATOM 0 H GLY A 44 94.657 13.549 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 44 94.041 15.368 -0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.110 15.978 -1.640 1.00 0.00 H new ATOM 696 N ILE A 45 91.238 13.805 -1.015 1.00 0.00 N ATOM 697 CA ILE A 45 89.965 13.315 -0.479 1.00 0.00 C ATOM 698 C ILE A 45 90.054 13.057 1.026 1.00 0.00 C ATOM 699 O ILE A 45 91.007 12.438 1.497 1.00 0.00 O ATOM 700 CB ILE A 45 89.569 12.015 -1.189 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.639 12.206 -2.712 1.00 0.00 C ATOM 702 CG2 ILE A 45 88.145 11.620 -0.787 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.729 13.360 -3.145 1.00 0.00 C ATOM 0 H ILE A 45 91.473 13.436 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 45 89.212 14.083 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 45 90.261 11.226 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 45 90.666 12.411 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.337 11.287 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.867 10.696 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 45 88.100 11.470 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.453 12.412 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 45 88.788 13.484 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 45 87.700 13.138 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 45 89.050 14.280 -2.656 1.00 0.00 H new ATOM 715 N PRO A 46 89.080 13.507 1.784 1.00 0.00 N ATOM 716 CA PRO A 46 89.060 13.303 3.258 1.00 0.00 C ATOM 717 C PRO A 46 88.819 11.837 3.620 1.00 0.00 C ATOM 718 O PRO A 46 87.903 11.205 3.092 1.00 0.00 O ATOM 719 CB PRO A 46 87.917 14.191 3.770 1.00 0.00 C ATOM 720 CG PRO A 46 87.322 14.884 2.581 1.00 0.00 C ATOM 721 CD PRO A 46 87.901 14.248 1.317 1.00 0.00 C ATOM 0 HA PRO A 46 90.017 13.565 3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.164 13.591 4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.289 14.918 4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.236 14.790 2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.550 15.950 2.609 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.179 13.585 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.174 15.005 0.581 1.00 0.00 H new ATOM 729 N PRO A 47 89.631 11.287 4.492 1.00 0.00 N ATOM 730 CA PRO A 47 89.516 9.862 4.916 1.00 0.00 C ATOM 731 C PRO A 47 88.084 9.472 5.288 1.00 0.00 C ATOM 732 O PRO A 47 87.658 8.343 5.043 1.00 0.00 O ATOM 733 CB PRO A 47 90.443 9.738 6.134 1.00 0.00 C ATOM 734 CG PRO A 47 91.048 11.087 6.376 1.00 0.00 C ATOM 735 CD PRO A 47 90.745 11.965 5.164 1.00 0.00 C ATOM 0 HA PRO A 47 89.792 9.191 4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.885 9.405 7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.220 8.996 5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.636 11.532 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.124 11.001 6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.472 12.976 5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.612 12.051 4.509 1.00 0.00 H new ATOM 743 N ASP A 48 87.353 10.409 5.884 1.00 0.00 N ATOM 744 CA ASP A 48 85.974 10.149 6.295 1.00 0.00 C ATOM 745 C ASP A 48 85.043 10.085 5.084 1.00 0.00 C ATOM 746 O ASP A 48 84.178 9.211 5.003 1.00 0.00 O ATOM 747 CB ASP A 48 85.501 11.250 7.248 1.00 0.00 C ATOM 748 CG ASP A 48 86.581 11.539 8.287 1.00 0.00 C ATOM 749 OD1 ASP A 48 86.589 10.872 9.309 1.00 0.00 O ATOM 750 OD2 ASP A 48 87.389 12.422 8.044 1.00 0.00 O ATOM 0 H ASP A 48 87.688 11.350 6.093 1.00 0.00 H new ATOM 0 HA ASP A 48 85.946 9.185 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 48 85.273 12.156 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 48 84.580 10.943 7.744 1.00 0.00 H new ATOM 755 N GLN A 49 85.228 11.015 4.151 1.00 0.00 N ATOM 756 CA GLN A 49 84.399 11.062 2.946 1.00 0.00 C ATOM 757 C GLN A 49 84.621 9.823 2.080 1.00 0.00 C ATOM 758 O GLN A 49 83.866 9.571 1.140 1.00 0.00 O ATOM 759 CB GLN A 49 84.732 12.322 2.139 1.00 0.00 C ATOM 760 CG GLN A 49 83.567 12.668 1.208 1.00 0.00 C ATOM 761 CD GLN A 49 83.919 13.889 0.364 1.00 0.00 C ATOM 762 OE1 GLN A 49 84.019 14.998 0.887 1.00 0.00 O ATOM 763 NE2 GLN A 49 84.113 13.750 -0.919 1.00 0.00 N ATOM 0 H GLN A 49 85.940 11.743 4.204 1.00 0.00 H new ATOM 0 HA GLN A 49 83.353 11.086 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 49 84.929 13.155 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.639 12.162 1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 49 83.344 11.820 0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 49 82.669 12.867 1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 49 84.030 12.830 -1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 49 84.348 14.562 -1.490 1.00 0.00 H new ATOM 772 N GLN A 50 85.658 9.055 2.398 1.00 0.00 N ATOM 773 CA GLN A 50 85.963 7.848 1.635 1.00 0.00 C ATOM 774 C GLN A 50 85.239 6.636 2.213 1.00 0.00 C ATOM 775 O GLN A 50 84.462 6.751 3.162 1.00 0.00 O ATOM 776 CB GLN A 50 87.470 7.587 1.650 1.00 0.00 C ATOM 777 CG GLN A 50 88.209 8.766 1.015 1.00 0.00 C ATOM 778 CD GLN A 50 89.577 8.934 1.664 1.00 0.00 C ATOM 779 OE1 GLN A 50 90.073 10.052 1.785 1.00 0.00 O ATOM 780 NE2 GLN A 50 90.221 7.882 2.092 1.00 0.00 N ATOM 0 H GLN A 50 86.296 9.243 3.171 1.00 0.00 H new ATOM 0 HA GLN A 50 85.624 8.004 0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 50 87.812 7.441 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.694 6.670 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.323 8.600 -0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.626 9.679 1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 50 89.808 6.955 1.991 1.00 0.00 H new ATOM 0 HE22 GLN A 50 91.137 7.987 2.528 1.00 0.00 H new ATOM 789 N ARG A 51 85.516 5.476 1.626 1.00 0.00 N ATOM 790 CA ARG A 51 84.916 4.221 2.061 1.00 0.00 C ATOM 791 C ARG A 51 85.656 3.062 1.407 1.00 0.00 C ATOM 792 O ARG A 51 86.137 3.192 0.284 1.00 0.00 O ATOM 793 CB ARG A 51 83.435 4.182 1.671 1.00 0.00 C ATOM 794 CG ARG A 51 82.674 3.275 2.641 1.00 0.00 C ATOM 795 CD ARG A 51 82.079 4.117 3.774 1.00 0.00 C ATOM 796 NE ARG A 51 81.445 3.255 4.766 1.00 0.00 N ATOM 797 CZ ARG A 51 82.171 2.544 5.624 1.00 0.00 C ATOM 798 NH1 ARG A 51 82.872 3.149 6.544 1.00 0.00 N ATOM 799 NH2 ARG A 51 82.183 1.242 5.546 1.00 0.00 N ATOM 0 H ARG A 51 86.159 5.380 0.840 1.00 0.00 H new ATOM 0 HA ARG A 51 84.992 4.139 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.016 5.188 1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.326 3.813 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 51 81.881 2.745 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.345 2.519 3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 51 82.862 4.710 4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.348 4.817 3.370 1.00 0.00 H new ATOM 0 HE ARG A 51 80.427 3.197 4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 51 82.863 4.167 6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 51 83.429 2.604 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 51 81.636 0.769 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 51 82.740 0.697 6.204 1.00 0.00 H new ATOM 813 N LEU A 52 85.764 1.938 2.107 1.00 0.00 N ATOM 814 CA LEU A 52 86.472 0.783 1.559 1.00 0.00 C ATOM 815 C LEU A 52 85.625 -0.481 1.662 1.00 0.00 C ATOM 816 O LEU A 52 85.215 -0.880 2.751 1.00 0.00 O ATOM 817 CB LEU A 52 87.799 0.585 2.304 1.00 0.00 C ATOM 818 CG LEU A 52 88.969 0.729 1.321 1.00 0.00 C ATOM 819 CD1 LEU A 52 90.218 1.202 2.070 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.255 -0.624 0.661 1.00 0.00 C ATOM 0 H LEU A 52 85.378 1.801 3.041 1.00 0.00 H new ATOM 0 HA LEU A 52 86.671 0.973 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 52 87.891 1.319 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 52 87.822 -0.400 2.771 1.00 0.00 H new ATOM 0 HG LEU A 52 88.706 1.460 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 52 91.046 1.303 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 52 90.019 2.166 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 52 90.479 0.474 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.086 -0.520 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 52 89.514 -1.355 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 52 88.369 -0.961 0.123 1.00 0.00 H new ATOM 832 N ILE A 53 85.372 -1.103 0.511 1.00 0.00 N ATOM 833 CA ILE A 53 84.577 -2.327 0.459 1.00 0.00 C ATOM 834 C ILE A 53 85.441 -3.485 -0.034 1.00 0.00 C ATOM 835 O ILE A 53 86.066 -3.390 -1.092 1.00 0.00 O ATOM 836 CB ILE A 53 83.381 -2.136 -0.488 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.370 -1.165 0.138 1.00 0.00 C ATOM 838 CG2 ILE A 53 82.696 -3.483 -0.736 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.881 0.275 0.020 1.00 0.00 C ATOM 0 H ILE A 53 85.706 -0.779 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 53 84.209 -2.553 1.460 1.00 0.00 H new ATOM 0 HB ILE A 53 83.741 -1.729 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.406 -1.259 -0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.212 -1.418 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 53 81.849 -3.342 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.407 -4.175 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.344 -3.892 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.157 0.956 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.834 0.367 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.016 0.528 -1.032 1.00 0.00 H new ATOM 851 N TRP A 54 85.480 -4.572 0.736 1.00 0.00 N ATOM 852 CA TRP A 54 86.281 -5.733 0.359 1.00 0.00 C ATOM 853 C TRP A 54 85.513 -7.029 0.620 1.00 0.00 C ATOM 854 O TRP A 54 84.936 -7.220 1.691 1.00 0.00 O ATOM 855 CB TRP A 54 87.589 -5.739 1.155 1.00 0.00 C ATOM 856 CG TRP A 54 88.399 -6.942 0.791 1.00 0.00 C ATOM 857 CD1 TRP A 54 89.093 -7.094 -0.360 1.00 0.00 C ATOM 858 CD2 TRP A 54 88.610 -8.161 1.560 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.716 -8.329 -0.346 1.00 0.00 N ATOM 860 CE2 TRP A 54 89.450 -9.023 0.816 1.00 0.00 C ATOM 861 CE3 TRP A 54 88.161 -8.597 2.820 1.00 0.00 C ATOM 862 CZ2 TRP A 54 89.828 -10.274 1.304 1.00 0.00 C ATOM 863 CZ3 TRP A 54 88.540 -9.857 3.313 1.00 0.00 C ATOM 864 CH2 TRP A 54 89.373 -10.692 2.556 1.00 0.00 C ATOM 0 H TRP A 54 84.972 -4.672 1.615 1.00 0.00 H new ATOM 0 HA TRP A 54 86.502 -5.670 -0.707 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.156 -4.831 0.947 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.375 -5.743 2.224 1.00 0.00 H new ATOM 0 HD1 TRP A 54 89.151 -6.370 -1.159 1.00 0.00 H new ATOM 0 HE1 TRP A 54 90.301 -8.683 -1.103 1.00 0.00 H new ATOM 0 HE3 TRP A 54 87.521 -7.959 3.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 90.469 -10.915 0.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 88.188 -10.184 4.280 1.00 0.00 H new ATOM 0 HH2 TRP A 54 89.663 -11.659 2.941 1.00 0.00 H new ATOM 875 N ALA A 55 85.525 -7.916 -0.374 1.00 0.00 N ATOM 876 CA ALA A 55 84.844 -9.206 -0.274 1.00 0.00 C ATOM 877 C ALA A 55 83.345 -9.037 -0.017 1.00 0.00 C ATOM 878 O ALA A 55 82.813 -9.543 0.972 1.00 0.00 O ATOM 879 CB ALA A 55 85.474 -10.047 0.842 1.00 0.00 C ATOM 0 H ALA A 55 86.002 -7.763 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 55 84.963 -9.718 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 55 84.960 -11.006 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.528 -10.215 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.382 -9.519 1.791 1.00 0.00 H new ATOM 885 N GLY A 56 82.667 -8.348 -0.934 1.00 0.00 N ATOM 886 CA GLY A 56 81.223 -8.136 -0.832 1.00 0.00 C ATOM 887 C GLY A 56 80.802 -7.494 0.491 1.00 0.00 C ATOM 888 O GLY A 56 79.608 -7.380 0.768 1.00 0.00 O ATOM 0 H GLY A 56 83.095 -7.926 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.896 -7.503 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.713 -9.093 -0.943 1.00 0.00 H new ATOM 892 N LYS A 57 81.770 -7.082 1.306 1.00 0.00 N ATOM 893 CA LYS A 57 81.452 -6.465 2.592 1.00 0.00 C ATOM 894 C LYS A 57 82.250 -5.182 2.796 1.00 0.00 C ATOM 895 O LYS A 57 83.435 -5.116 2.468 1.00 0.00 O ATOM 896 CB LYS A 57 81.756 -7.443 3.731 1.00 0.00 C ATOM 897 CG LYS A 57 81.394 -6.798 5.075 1.00 0.00 C ATOM 898 CD LYS A 57 81.154 -7.887 6.128 1.00 0.00 C ATOM 899 CE LYS A 57 82.495 -8.425 6.635 1.00 0.00 C ATOM 900 NZ LYS A 57 83.268 -7.323 7.275 1.00 0.00 N ATOM 0 H LYS A 57 82.767 -7.162 1.104 1.00 0.00 H new ATOM 0 HA LYS A 57 80.391 -6.217 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.189 -8.364 3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.812 -7.714 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.198 -6.137 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.501 -6.183 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 57 80.577 -7.481 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.566 -8.698 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.328 -9.229 7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.064 -8.849 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 83.645 -7.648 8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 84.055 -7.046 6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.644 -6.505 7.429 1.00 0.00 H new ATOM 914 N GLN A 58 81.590 -4.168 3.353 1.00 0.00 N ATOM 915 CA GLN A 58 82.244 -2.892 3.613 1.00 0.00 C ATOM 916 C GLN A 58 83.231 -3.037 4.767 1.00 0.00 C ATOM 917 O GLN A 58 82.859 -3.450 5.866 1.00 0.00 O ATOM 918 CB GLN A 58 81.203 -1.816 3.946 1.00 0.00 C ATOM 919 CG GLN A 58 80.173 -2.367 4.940 1.00 0.00 C ATOM 920 CD GLN A 58 78.798 -2.442 4.283 1.00 0.00 C ATOM 921 OE1 GLN A 58 77.937 -1.604 4.546 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.540 -3.401 3.435 1.00 0.00 N ATOM 0 H GLN A 58 80.609 -4.207 3.631 1.00 0.00 H new ATOM 0 HA GLN A 58 82.785 -2.589 2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.696 -0.941 4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.702 -1.490 3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.477 -3.357 5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.129 -1.728 5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 58 79.255 -4.095 3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.624 -3.456 2.990 1.00 0.00 H new ATOM 931 N LEU A 59 84.492 -2.701 4.507 1.00 0.00 N ATOM 932 CA LEU A 59 85.532 -2.804 5.529 1.00 0.00 C ATOM 933 C LEU A 59 85.275 -1.826 6.672 1.00 0.00 C ATOM 934 O LEU A 59 85.151 -0.620 6.452 1.00 0.00 O ATOM 935 CB LEU A 59 86.904 -2.510 4.915 1.00 0.00 C ATOM 936 CG LEU A 59 87.305 -3.647 3.966 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.446 -3.175 3.059 1.00 0.00 C ATOM 938 CD2 LEU A 59 87.766 -4.863 4.781 1.00 0.00 C ATOM 0 H LEU A 59 84.818 -2.357 3.604 1.00 0.00 H new ATOM 0 HA LEU A 59 85.514 -3.820 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 59 86.875 -1.565 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.649 -2.402 5.703 1.00 0.00 H new ATOM 0 HG LEU A 59 86.447 -3.928 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.732 -3.982 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.116 -2.315 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.303 -2.892 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.050 -5.668 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.623 -4.586 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 59 86.953 -5.199 5.424 1.00 0.00 H new ATOM 950 N GLU A 60 85.205 -2.355 7.889 1.00 0.00 N ATOM 951 CA GLU A 60 84.973 -1.526 9.067 1.00 0.00 C ATOM 952 C GLU A 60 86.270 -0.845 9.489 1.00 0.00 C ATOM 953 O GLU A 60 87.332 -1.461 9.468 1.00 0.00 O ATOM 954 CB GLU A 60 84.448 -2.386 10.221 1.00 0.00 C ATOM 955 CG GLU A 60 83.237 -3.202 9.752 1.00 0.00 C ATOM 956 CD GLU A 60 83.685 -4.583 9.281 1.00 0.00 C ATOM 957 OE1 GLU A 60 83.820 -5.459 10.118 1.00 0.00 O ATOM 958 OE2 GLU A 60 83.889 -4.743 8.088 1.00 0.00 O ATOM 0 H GLU A 60 85.305 -3.351 8.086 1.00 0.00 H new ATOM 0 HA GLU A 60 84.231 -0.767 8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.233 -3.054 10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 60 84.167 -1.751 11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 60 82.519 -3.302 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 60 82.729 -2.680 8.941 1.00 0.00 H new ATOM 965 N ASP A 61 86.175 0.434 9.848 1.00 0.00 N ATOM 966 CA ASP A 61 87.349 1.211 10.257 1.00 0.00 C ATOM 967 C ASP A 61 88.283 0.400 11.164 1.00 0.00 C ATOM 968 O ASP A 61 89.496 0.609 11.156 1.00 0.00 O ATOM 969 CB ASP A 61 86.900 2.478 10.991 1.00 0.00 C ATOM 970 CG ASP A 61 86.273 2.116 12.335 1.00 0.00 C ATOM 971 OD1 ASP A 61 85.092 1.807 12.352 1.00 0.00 O ATOM 972 OD2 ASP A 61 86.982 2.150 13.327 1.00 0.00 O ATOM 0 H ASP A 61 85.299 0.956 9.865 1.00 0.00 H new ATOM 0 HA ASP A 61 87.902 1.475 9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 61 87.753 3.139 11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 61 86.180 3.024 10.381 1.00 0.00 H new ATOM 977 N GLY A 62 87.711 -0.515 11.945 1.00 0.00 N ATOM 978 CA GLY A 62 88.503 -1.340 12.856 1.00 0.00 C ATOM 979 C GLY A 62 89.208 -2.484 12.124 1.00 0.00 C ATOM 980 O GLY A 62 89.753 -3.388 12.759 1.00 0.00 O ATOM 0 H GLY A 62 86.709 -0.703 11.966 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.245 -0.718 13.357 1.00 0.00 H new ATOM 0 HA3 GLY A 62 87.855 -1.750 13.631 1.00 0.00 H new ATOM 984 N ARG A 63 89.193 -2.441 10.795 1.00 0.00 N ATOM 985 CA ARG A 63 89.834 -3.482 9.995 1.00 0.00 C ATOM 986 C ARG A 63 91.330 -3.208 9.857 1.00 0.00 C ATOM 987 O ARG A 63 91.746 -2.069 9.639 1.00 0.00 O ATOM 988 CB ARG A 63 89.185 -3.551 8.606 1.00 0.00 C ATOM 989 CG ARG A 63 89.903 -4.590 7.734 1.00 0.00 C ATOM 990 CD ARG A 63 89.406 -5.996 8.086 1.00 0.00 C ATOM 991 NE ARG A 63 90.346 -6.999 7.597 1.00 0.00 N ATOM 992 CZ ARG A 63 90.460 -7.263 6.299 1.00 0.00 C ATOM 993 NH1 ARG A 63 91.206 -6.505 5.544 1.00 0.00 N ATOM 994 NH2 ARG A 63 89.825 -8.278 5.781 1.00 0.00 N ATOM 0 H ARG A 63 88.747 -1.702 10.251 1.00 0.00 H new ATOM 0 HA ARG A 63 89.701 -4.438 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.131 -3.813 8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.228 -2.572 8.128 1.00 0.00 H new ATOM 0 HG2 ARG A 63 89.719 -4.383 6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.980 -4.526 7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 63 89.292 -6.090 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 63 88.423 -6.163 7.646 1.00 0.00 H new ATOM 0 HE ARG A 63 90.927 -7.507 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 63 91.701 -5.711 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 63 91.294 -6.706 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 63 89.241 -8.869 6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 63 89.913 -8.480 4.785 1.00 0.00 H new ATOM 1008 N THR A 64 92.131 -4.264 9.990 1.00 0.00 N ATOM 1009 CA THR A 64 93.582 -4.140 9.882 1.00 0.00 C ATOM 1010 C THR A 64 94.093 -4.841 8.627 1.00 0.00 C ATOM 1011 O THR A 64 93.377 -5.627 8.005 1.00 0.00 O ATOM 1012 CB THR A 64 94.254 -4.756 11.116 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.641 -6.002 11.414 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.108 -3.812 12.313 1.00 0.00 C ATOM 0 H THR A 64 91.800 -5.212 10.172 1.00 0.00 H new ATOM 0 HA THR A 64 93.829 -3.080 9.820 1.00 0.00 H new ATOM 0 HB THR A 64 95.313 -4.910 10.911 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.070 -6.398 12.201 1.00 0.00 H new ATOM 0 HG21 THR A 64 94.587 -4.255 13.186 1.00 0.00 H new ATOM 0 HG22 THR A 64 94.582 -2.858 12.084 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.051 -3.651 12.522 1.00 0.00 H new ATOM 1022 N LEU A 65 95.340 -4.551 8.269 1.00 0.00 N ATOM 1023 CA LEU A 65 95.957 -5.154 7.092 1.00 0.00 C ATOM 1024 C LEU A 65 96.460 -6.557 7.430 1.00 0.00 C ATOM 1025 O LEU A 65 96.329 -7.488 6.633 1.00 0.00 O ATOM 1026 CB LEU A 65 97.125 -4.270 6.619 1.00 0.00 C ATOM 1027 CG LEU A 65 96.619 -3.205 5.633 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.808 -2.527 4.949 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.728 -3.847 4.561 1.00 0.00 C ATOM 0 H LEU A 65 95.943 -3.903 8.776 1.00 0.00 H new ATOM 0 HA LEU A 65 95.219 -5.231 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.596 -3.788 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.887 -4.886 6.141 1.00 0.00 H new ATOM 0 HG LEU A 65 96.039 -2.468 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.445 -1.773 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.438 -2.052 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.390 -3.273 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.378 -3.079 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 65 96.301 -4.595 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.872 -4.324 5.038 1.00 0.00 H new ATOM 1041 N SER A 66 97.030 -6.690 8.622 1.00 0.00 N ATOM 1042 CA SER A 66 97.558 -7.969 9.093 1.00 0.00 C ATOM 1043 C SER A 66 96.427 -8.948 9.395 1.00 0.00 C ATOM 1044 O SER A 66 96.668 -10.132 9.631 1.00 0.00 O ATOM 1045 CB SER A 66 98.396 -7.754 10.354 1.00 0.00 C ATOM 1046 OG SER A 66 97.662 -6.964 11.279 1.00 0.00 O ATOM 0 H SER A 66 97.140 -5.923 9.285 1.00 0.00 H new ATOM 0 HA SER A 66 98.182 -8.390 8.305 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.652 -8.714 10.802 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.334 -7.260 10.101 1.00 0.00 H new ATOM 0 HG SER A 66 98.197 -6.827 12.089 1.00 0.00 H new ATOM 1052 N ASP A 67 95.192 -8.446 9.379 1.00 0.00 N ATOM 1053 CA ASP A 67 94.031 -9.289 9.644 1.00 0.00 C ATOM 1054 C ASP A 67 94.068 -10.516 8.738 1.00 0.00 C ATOM 1055 O ASP A 67 94.148 -11.651 9.211 1.00 0.00 O ATOM 1056 CB ASP A 67 92.742 -8.497 9.394 1.00 0.00 C ATOM 1057 CG ASP A 67 91.538 -9.435 9.381 1.00 0.00 C ATOM 1058 OD1 ASP A 67 91.072 -9.785 10.453 1.00 0.00 O ATOM 1059 OD2 ASP A 67 91.099 -9.789 8.298 1.00 0.00 O ATOM 0 H ASP A 67 94.973 -7.469 9.187 1.00 0.00 H new ATOM 0 HA ASP A 67 94.054 -9.611 10.685 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.615 -7.742 10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.810 -7.969 8.443 1.00 0.00 H new ATOM 1064 N TYR A 68 94.021 -10.270 7.433 1.00 0.00 N ATOM 1065 CA TYR A 68 94.062 -11.347 6.452 1.00 0.00 C ATOM 1066 C TYR A 68 95.498 -11.578 5.981 1.00 0.00 C ATOM 1067 O TYR A 68 95.750 -12.427 5.125 1.00 0.00 O ATOM 1068 CB TYR A 68 93.169 -10.988 5.258 1.00 0.00 C ATOM 1069 CG TYR A 68 93.111 -12.149 4.290 1.00 0.00 C ATOM 1070 CD1 TYR A 68 92.455 -13.332 4.654 1.00 0.00 C ATOM 1071 CD2 TYR A 68 93.714 -12.043 3.030 1.00 0.00 C ATOM 1072 CE1 TYR A 68 92.405 -14.407 3.760 1.00 0.00 C ATOM 1073 CE2 TYR A 68 93.663 -13.118 2.136 1.00 0.00 C ATOM 1074 CZ TYR A 68 93.008 -14.300 2.501 1.00 0.00 C ATOM 1075 OH TYR A 68 92.957 -15.361 1.619 1.00 0.00 O ATOM 0 H TYR A 68 93.955 -9.335 7.031 1.00 0.00 H new ATOM 0 HA TYR A 68 93.695 -12.264 6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 68 92.165 -10.742 5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 68 93.558 -10.103 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 68 91.988 -13.414 5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 68 94.219 -11.131 2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 68 91.901 -15.320 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 68 94.129 -13.036 1.165 1.00 0.00 H new ATOM 0 HH TYR A 68 93.423 -15.121 0.791 1.00 0.00 H new ATOM 1085 N ASN A 69 96.430 -10.802 6.539 1.00 0.00 N ATOM 1086 CA ASN A 69 97.843 -10.904 6.170 1.00 0.00 C ATOM 1087 C ASN A 69 98.055 -10.309 4.781 1.00 0.00 C ATOM 1088 O ASN A 69 98.863 -10.799 3.990 1.00 0.00 O ATOM 1089 CB ASN A 69 98.312 -12.366 6.198 1.00 0.00 C ATOM 1090 CG ASN A 69 97.790 -13.060 7.453 1.00 0.00 C ATOM 1091 OD1 ASN A 69 97.009 -14.008 7.361 1.00 0.00 O ATOM 1092 ND2 ASN A 69 98.175 -12.641 8.628 1.00 0.00 N ATOM 0 H ASN A 69 96.231 -10.096 7.248 1.00 0.00 H new ATOM 0 HA ASN A 69 98.434 -10.345 6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 69 97.956 -12.887 5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 69 99.401 -12.407 6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 69 97.829 -13.099 9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.822 -11.856 8.703 1.00 0.00 H new ATOM 1099 N ILE A 70 97.310 -9.243 4.502 1.00 0.00 N ATOM 1100 CA ILE A 70 97.390 -8.559 3.216 1.00 0.00 C ATOM 1101 C ILE A 70 98.796 -8.015 2.974 1.00 0.00 C ATOM 1102 O ILE A 70 99.297 -7.196 3.747 1.00 0.00 O ATOM 1103 CB ILE A 70 96.374 -7.411 3.182 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.953 -7.990 3.188 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.579 -6.568 1.919 1.00 0.00 C ATOM 1106 CD1 ILE A 70 94.016 -7.053 3.957 1.00 0.00 C ATOM 0 H ILE A 70 96.641 -8.833 5.153 1.00 0.00 H new ATOM 0 HA ILE A 70 97.161 -9.275 2.427 1.00 0.00 H new ATOM 0 HB ILE A 70 96.516 -6.779 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.597 -8.117 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.954 -8.977 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.853 -5.755 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.588 -6.155 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.442 -7.194 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 70 93.008 -7.468 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 70 94.368 -6.949 4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 70 94.005 -6.075 3.476 1.00 0.00 H new ATOM 1118 N GLN A 71 99.425 -8.477 1.893 1.00 0.00 N ATOM 1119 CA GLN A 71 100.773 -8.032 1.546 1.00 0.00 C ATOM 1120 C GLN A 71 100.716 -6.667 0.857 1.00 0.00 C ATOM 1121 O GLN A 71 99.888 -5.826 1.208 1.00 0.00 O ATOM 1122 CB GLN A 71 101.437 -9.063 0.626 1.00 0.00 C ATOM 1123 CG GLN A 71 102.953 -9.062 0.854 1.00 0.00 C ATOM 1124 CD GLN A 71 103.655 -9.778 -0.296 1.00 0.00 C ATOM 1125 OE1 GLN A 71 104.124 -10.905 -0.133 1.00 0.00 O ATOM 1126 NE2 GLN A 71 103.756 -9.189 -1.456 1.00 0.00 N ATOM 0 H GLN A 71 99.024 -9.156 1.246 1.00 0.00 H new ATOM 0 HA GLN A 71 101.363 -7.937 2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 71 101.031 -10.055 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 71 101.216 -8.830 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 71 103.317 -8.037 0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 71 103.187 -9.555 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 71 103.367 -8.256 -1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 71 104.224 -9.662 -2.229 1.00 0.00 H new ATOM 1135 N ARG A 72 101.589 -6.456 -0.126 1.00 0.00 N ATOM 1136 CA ARG A 72 101.616 -5.191 -0.858 1.00 0.00 C ATOM 1137 C ARG A 72 100.923 -5.346 -2.210 1.00 0.00 C ATOM 1138 O ARG A 72 100.361 -4.389 -2.742 1.00 0.00 O ATOM 1139 CB ARG A 72 103.064 -4.721 -1.068 1.00 0.00 C ATOM 1140 CG ARG A 72 103.990 -5.929 -1.245 1.00 0.00 C ATOM 1141 CD ARG A 72 105.399 -5.450 -1.606 1.00 0.00 C ATOM 1142 NE ARG A 72 106.387 -6.450 -1.212 1.00 0.00 N ATOM 1143 CZ ARG A 72 107.668 -6.321 -1.545 1.00 0.00 C ATOM 1144 NH1 ARG A 72 108.034 -6.447 -2.791 1.00 0.00 N ATOM 1145 NH2 ARG A 72 108.560 -6.069 -0.626 1.00 0.00 N ATOM 0 H ARG A 72 102.282 -7.139 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 72 101.085 -4.444 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.122 -4.077 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.389 -4.126 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.019 -6.515 -0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.606 -6.582 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.465 -5.266 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.609 -4.504 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 72 106.089 -7.262 -0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 72 107.338 -6.644 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 72 109.017 -6.348 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 72 108.275 -5.971 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 72 109.542 -5.970 -0.882 1.00 0.00 H new ATOM 1159 N GLU A 73 100.971 -6.555 -2.761 1.00 0.00 N ATOM 1160 CA GLU A 73 100.348 -6.827 -4.056 1.00 0.00 C ATOM 1161 C GLU A 73 98.857 -7.120 -3.891 1.00 0.00 C ATOM 1162 O GLU A 73 98.367 -8.161 -4.334 1.00 0.00 O ATOM 1163 CB GLU A 73 101.036 -8.023 -4.724 1.00 0.00 C ATOM 1164 CG GLU A 73 102.552 -7.801 -4.756 1.00 0.00 C ATOM 1165 CD GLU A 73 103.255 -9.065 -5.242 1.00 0.00 C ATOM 1166 OE1 GLU A 73 103.385 -9.223 -6.444 1.00 0.00 O ATOM 1167 OE2 GLU A 73 103.649 -9.860 -4.404 1.00 0.00 O ATOM 0 H GLU A 73 101.432 -7.359 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 73 100.461 -5.943 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.805 -8.938 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.657 -8.152 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.792 -6.966 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.910 -7.536 -3.761 1.00 0.00 H new ATOM 1174 N SER A 74 98.141 -6.200 -3.248 1.00 0.00 N ATOM 1175 CA SER A 74 96.706 -6.373 -3.027 1.00 0.00 C ATOM 1176 C SER A 74 95.920 -5.208 -3.620 1.00 0.00 C ATOM 1177 O SER A 74 96.386 -4.066 -3.623 1.00 0.00 O ATOM 1178 CB SER A 74 96.421 -6.478 -1.529 1.00 0.00 C ATOM 1179 OG SER A 74 96.822 -7.761 -1.067 1.00 0.00 O ATOM 0 H SER A 74 98.527 -5.333 -2.873 1.00 0.00 H new ATOM 0 HA SER A 74 96.391 -7.291 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 74 96.959 -5.699 -0.989 1.00 0.00 H new ATOM 0 HB3 SER A 74 95.359 -6.324 -1.337 1.00 0.00 H new ATOM 0 HG SER A 74 96.035 -8.260 -0.764 1.00 0.00 H new ATOM 1185 N THR A 75 94.718 -5.510 -4.113 1.00 0.00 N ATOM 1186 CA THR A 75 93.853 -4.494 -4.704 1.00 0.00 C ATOM 1187 C THR A 75 92.762 -4.092 -3.715 1.00 0.00 C ATOM 1188 O THR A 75 91.751 -4.781 -3.574 1.00 0.00 O ATOM 1189 CB THR A 75 93.216 -5.033 -5.991 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.231 -5.549 -6.840 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.470 -3.908 -6.714 1.00 0.00 C ATOM 0 H THR A 75 94.323 -6.451 -4.114 1.00 0.00 H new ATOM 0 HA THR A 75 94.454 -3.617 -4.943 1.00 0.00 H new ATOM 0 HB THR A 75 92.511 -5.825 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.825 -5.895 -7.662 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.020 -4.298 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.689 -3.513 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.169 -3.111 -6.966 1.00 0.00 H new ATOM 1199 N LEU A 76 92.983 -2.975 -3.029 1.00 0.00 N ATOM 1200 CA LEU A 76 92.025 -2.482 -2.049 1.00 0.00 C ATOM 1201 C LEU A 76 90.928 -1.671 -2.731 1.00 0.00 C ATOM 1202 O LEU A 76 91.095 -0.479 -2.994 1.00 0.00 O ATOM 1203 CB LEU A 76 92.747 -1.607 -1.015 1.00 0.00 C ATOM 1204 CG LEU A 76 92.875 -2.365 0.312 1.00 0.00 C ATOM 1205 CD1 LEU A 76 94.095 -3.288 0.263 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.040 -1.363 1.459 1.00 0.00 C ATOM 0 H LEU A 76 93.816 -2.396 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 76 91.567 -3.336 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.735 -1.333 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.195 -0.679 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 76 91.977 -2.961 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 76 94.183 -3.825 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 76 93.978 -4.003 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 76 94.994 -2.694 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.131 -1.902 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 76 93.937 -0.766 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.170 -0.708 1.498 1.00 0.00 H new ATOM 1218 N HIS A 77 89.802 -2.323 -3.007 1.00 0.00 N ATOM 1219 CA HIS A 77 88.681 -1.646 -3.649 1.00 0.00 C ATOM 1220 C HIS A 77 88.188 -0.508 -2.762 1.00 0.00 C ATOM 1221 O HIS A 77 87.548 -0.741 -1.736 1.00 0.00 O ATOM 1222 CB HIS A 77 87.545 -2.639 -3.906 1.00 0.00 C ATOM 1223 CG HIS A 77 87.838 -3.421 -5.156 1.00 0.00 C ATOM 1224 ND1 HIS A 77 87.787 -2.845 -6.415 1.00 0.00 N ATOM 1225 CD2 HIS A 77 88.187 -4.733 -5.358 1.00 0.00 C ATOM 1226 CE1 HIS A 77 88.100 -3.798 -7.310 1.00 0.00 C ATOM 1227 NE2 HIS A 77 88.353 -4.969 -6.720 1.00 0.00 N ATOM 0 H HIS A 77 89.643 -3.309 -2.799 1.00 0.00 H new ATOM 0 HA HIS A 77 89.013 -1.236 -4.603 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.439 -3.315 -3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.599 -2.107 -4.010 1.00 0.00 H new ATOM 0 HD2 HIS A 77 88.314 -5.470 -4.579 1.00 0.00 H new ATOM 0 HE1 HIS A 77 88.142 -3.636 -8.377 1.00 0.00 H new ATOM 0 HE2 HIS A 77 88.612 -5.847 -7.170 1.00 0.00 H new ATOM 1235 N LEU A 78 88.494 0.722 -3.165 1.00 0.00 N ATOM 1236 CA LEU A 78 88.085 1.899 -2.406 1.00 0.00 C ATOM 1237 C LEU A 78 86.890 2.572 -3.074 1.00 0.00 C ATOM 1238 O LEU A 78 86.777 2.582 -4.299 1.00 0.00 O ATOM 1239 CB LEU A 78 89.256 2.885 -2.321 1.00 0.00 C ATOM 1240 CG LEU A 78 88.928 4.006 -1.328 1.00 0.00 C ATOM 1241 CD1 LEU A 78 90.153 4.297 -0.456 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.540 5.274 -2.096 1.00 0.00 C ATOM 0 H LEU A 78 89.023 0.929 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 78 87.795 1.590 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.160 2.363 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.458 3.308 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 78 88.097 3.693 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.917 5.094 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.431 3.397 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.985 4.607 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.307 6.070 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.370 5.583 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.666 5.071 -2.715 1.00 0.00 H new ATOM 1254 N VAL A 79 85.995 3.122 -2.258 1.00 0.00 N ATOM 1255 CA VAL A 79 84.804 3.790 -2.771 1.00 0.00 C ATOM 1256 C VAL A 79 84.759 5.247 -2.312 1.00 0.00 C ATOM 1257 O VAL A 79 85.220 5.579 -1.219 1.00 0.00 O ATOM 1258 CB VAL A 79 83.549 3.058 -2.281 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.318 3.938 -2.496 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.375 1.754 -3.062 1.00 0.00 C ATOM 0 H VAL A 79 86.072 3.118 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 79 84.839 3.770 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 79 83.659 2.838 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.429 3.413 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 79 82.433 4.867 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 79 82.212 4.163 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.482 1.236 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 79 83.272 1.977 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 79 84.247 1.118 -2.908 1.00 0.00 H new ATOM 1270 N LEU A 80 84.188 6.104 -3.157 1.00 0.00 N ATOM 1271 CA LEU A 80 84.064 7.525 -2.842 1.00 0.00 C ATOM 1272 C LEU A 80 82.595 7.936 -2.852 1.00 0.00 C ATOM 1273 O LEU A 80 81.907 7.789 -3.863 1.00 0.00 O ATOM 1274 CB LEU A 80 84.842 8.361 -3.870 1.00 0.00 C ATOM 1275 CG LEU A 80 85.908 9.210 -3.165 1.00 0.00 C ATOM 1276 CD1 LEU A 80 85.243 10.149 -2.152 1.00 0.00 C ATOM 1277 CD2 LEU A 80 86.901 8.292 -2.441 1.00 0.00 C ATOM 0 H LEU A 80 83.804 5.839 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 80 84.478 7.702 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.314 7.705 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.156 9.007 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 80 86.439 9.805 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 80 86.006 10.748 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 80 84.545 10.807 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.704 9.560 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.657 8.897 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.370 7.692 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 80 87.383 7.634 -3.165 1.00 0.00 H new ATOM 1289 N ARG A 81 82.118 8.446 -1.719 1.00 0.00 N ATOM 1290 CA ARG A 81 80.726 8.869 -1.605 1.00 0.00 C ATOM 1291 C ARG A 81 80.512 10.225 -2.274 1.00 0.00 C ATOM 1292 O ARG A 81 81.463 10.852 -2.742 1.00 0.00 O ATOM 1293 CB ARG A 81 80.324 8.940 -0.127 1.00 0.00 C ATOM 1294 CG ARG A 81 80.834 10.244 0.495 1.00 0.00 C ATOM 1295 CD ARG A 81 80.762 10.143 2.021 1.00 0.00 C ATOM 1296 NE ARG A 81 81.628 9.068 2.498 1.00 0.00 N ATOM 1297 CZ ARG A 81 81.168 8.116 3.303 1.00 0.00 C ATOM 1298 NH1 ARG A 81 80.200 7.336 2.905 1.00 0.00 N ATOM 1299 NH2 ARG A 81 81.688 7.959 4.489 1.00 0.00 N ATOM 0 H ARG A 81 82.671 8.576 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 81 80.099 8.137 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 81 79.239 8.883 -0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.735 8.086 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 81 81.860 10.433 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 81 80.234 11.085 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 81 81.064 11.089 2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 81 79.734 9.957 2.332 1.00 0.00 H new ATOM 0 HE ARG A 81 82.606 9.048 2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 81 79.797 7.457 1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 81 79.847 6.605 3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 81 82.447 8.567 4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 81 81.336 7.229 5.108 1.00 0.00 H new ATOM 1313 N LEU A 82 79.256 10.670 -2.313 1.00 0.00 N ATOM 1314 CA LEU A 82 78.923 11.955 -2.926 1.00 0.00 C ATOM 1315 C LEU A 82 78.413 12.934 -1.875 1.00 0.00 C ATOM 1316 O LEU A 82 77.526 12.606 -1.084 1.00 0.00 O ATOM 1317 CB LEU A 82 77.851 11.759 -4.007 1.00 0.00 C ATOM 1318 CG LEU A 82 78.371 12.247 -5.366 1.00 0.00 C ATOM 1319 CD1 LEU A 82 78.608 13.761 -5.316 1.00 0.00 C ATOM 1320 CD2 LEU A 82 79.684 11.532 -5.709 1.00 0.00 C ATOM 0 H LEU A 82 78.458 10.164 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 82 79.826 12.363 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 82 77.578 10.706 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 82 76.948 12.307 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 82 77.629 12.023 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 82 78.977 14.104 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 82 77.671 14.268 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 82 79.344 13.989 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 82 80.048 11.883 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 82 80.427 11.748 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 82 79.511 10.457 -5.755 1.00 0.00 H new ATOM 1332 N ARG A 83 78.978 14.138 -1.877 1.00 0.00 N ATOM 1333 CA ARG A 83 78.576 15.167 -0.925 1.00 0.00 C ATOM 1334 C ARG A 83 77.119 15.569 -1.151 1.00 0.00 C ATOM 1335 O ARG A 83 76.432 15.993 -0.222 1.00 0.00 O ATOM 1336 CB ARG A 83 79.480 16.395 -1.074 1.00 0.00 C ATOM 1337 CG ARG A 83 79.376 17.271 0.180 1.00 0.00 C ATOM 1338 CD ARG A 83 78.934 18.682 -0.213 1.00 0.00 C ATOM 1339 NE ARG A 83 79.256 19.626 0.854 1.00 0.00 N ATOM 1340 CZ ARG A 83 80.362 20.358 0.811 1.00 0.00 C ATOM 1341 NH1 ARG A 83 81.523 19.800 1.015 1.00 0.00 N ATOM 1342 NH2 ARG A 83 80.288 21.636 0.560 1.00 0.00 N ATOM 0 H ARG A 83 79.712 14.424 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 83 78.674 14.764 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 83 80.513 16.081 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 83 79.189 16.968 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 83 78.662 16.837 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 83 80.339 17.310 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 83 79.429 18.982 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 83 77.862 18.694 -0.408 1.00 0.00 H new ATOM 0 HE ARG A 83 78.620 19.724 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 81.581 18.800 1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 83 82.373 20.363 0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 83 79.380 22.072 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 83 81.138 22.199 0.527 1.00 0.00 H new ATOM 1356 N GLY A 84 76.656 15.427 -2.391 1.00 0.00 N ATOM 1357 CA GLY A 84 75.280 15.774 -2.732 1.00 0.00 C ATOM 1358 C GLY A 84 74.323 14.659 -2.321 1.00 0.00 C ATOM 1359 O GLY A 84 73.808 14.653 -1.201 1.00 0.00 O ATOM 0 H GLY A 84 77.211 15.076 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 84 75.000 16.702 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 84 75.200 15.951 -3.804 1.00 0.00 H new ATOM 1363 N GLY A 85 74.090 13.718 -3.232 1.00 0.00 N ATOM 1364 CA GLY A 85 73.193 12.599 -2.956 1.00 0.00 C ATOM 1365 C GLY A 85 73.027 11.719 -4.189 1.00 0.00 C ATOM 1366 O GLY A 85 73.504 10.583 -4.221 1.00 0.00 O ATOM 0 H GLY A 85 74.507 13.707 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 85 73.588 12.006 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 85 72.221 12.976 -2.640 1.00 0.00 H new ATOM 1370 N SER A 86 72.353 12.257 -5.204 1.00 0.00 N ATOM 1371 CA SER A 86 72.127 11.523 -6.445 1.00 0.00 C ATOM 1372 C SER A 86 72.686 12.311 -7.627 1.00 0.00 C ATOM 1373 O SER A 86 71.950 13.006 -8.331 1.00 0.00 O ATOM 1374 CB SER A 86 70.627 11.281 -6.641 1.00 0.00 C ATOM 1375 OG SER A 86 70.426 10.499 -7.811 1.00 0.00 O ATOM 0 H SER A 86 71.955 13.196 -5.190 1.00 0.00 H new ATOM 0 HA SER A 86 72.638 10.562 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 86 70.213 10.769 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 86 70.102 12.232 -6.731 1.00 0.00 H new ATOM 0 HG SER A 86 69.467 10.341 -7.938 1.00 0.00 H new ATOM 1381 N MET A 87 73.996 12.199 -7.835 1.00 0.00 N ATOM 1382 CA MET A 87 74.657 12.905 -8.929 1.00 0.00 C ATOM 1383 C MET A 87 74.174 12.383 -10.281 1.00 0.00 C ATOM 1384 O MET A 87 74.421 13.000 -11.318 1.00 0.00 O ATOM 1385 CB MET A 87 76.177 12.728 -8.823 1.00 0.00 C ATOM 1386 CG MET A 87 76.869 14.086 -8.974 1.00 0.00 C ATOM 1387 SD MET A 87 76.753 14.643 -10.694 1.00 0.00 S ATOM 1388 CE MET A 87 77.952 13.482 -11.399 1.00 0.00 C ATOM 0 H MET A 87 74.618 11.628 -7.263 1.00 0.00 H new ATOM 0 HA MET A 87 74.407 13.963 -8.854 1.00 0.00 H new ATOM 0 HB2 MET A 87 76.434 12.283 -7.862 1.00 0.00 H new ATOM 0 HB3 MET A 87 76.527 12.043 -9.595 1.00 0.00 H new ATOM 0 HG2 MET A 87 76.404 14.817 -8.313 1.00 0.00 H new ATOM 0 HG3 MET A 87 77.915 14.007 -8.677 1.00 0.00 H new ATOM 0 HE1 MET A 87 78.523 13.980 -12.183 1.00 0.00 H new ATOM 0 HE2 MET A 87 78.631 13.140 -10.617 1.00 0.00 H new ATOM 0 HE3 MET A 87 77.425 12.626 -11.821 1.00 0.00 H new ATOM 1398 N GLY A 88 73.486 11.245 -10.261 1.00 0.00 N ATOM 1399 CA GLY A 88 72.975 10.647 -11.489 1.00 0.00 C ATOM 1400 C GLY A 88 74.046 9.799 -12.166 1.00 0.00 C ATOM 1401 O GLY A 88 73.819 9.235 -13.238 1.00 0.00 O ATOM 0 H GLY A 88 73.271 10.721 -9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 88 72.105 10.030 -11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 88 72.642 11.431 -12.169 1.00 0.00 H new ATOM 1405 N GLY A 89 75.213 9.709 -11.530 1.00 0.00 N ATOM 1406 CA GLY A 89 76.314 8.923 -12.073 1.00 0.00 C ATOM 1407 C GLY A 89 76.277 7.502 -11.528 1.00 0.00 C ATOM 1408 O GLY A 89 75.294 7.089 -10.910 1.00 0.00 O ATOM 0 H GLY A 89 75.418 10.169 -10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 89 76.252 8.903 -13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 89 77.264 9.392 -11.817 1.00 0.00 H new ATOM 1412 N ALA A 90 77.354 6.760 -11.757 1.00 0.00 N ATOM 1413 CA ALA A 90 77.438 5.384 -11.281 1.00 0.00 C ATOM 1414 C ALA A 90 77.517 5.353 -9.758 1.00 0.00 C ATOM 1415 O ALA A 90 76.643 4.798 -9.092 1.00 0.00 O ATOM 1416 CB ALA A 90 78.669 4.702 -11.880 1.00 0.00 C ATOM 0 H ALA A 90 78.176 7.085 -12.266 1.00 0.00 H new ATOM 0 HA ALA A 90 76.542 4.849 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 90 78.727 3.674 -11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 90 78.592 4.703 -12.967 1.00 0.00 H new ATOM 0 HB3 ALA A 90 79.567 5.242 -11.579 1.00 0.00 H new ATOM 1422 N ALA A 91 78.570 5.959 -9.216 1.00 0.00 N ATOM 1423 CA ALA A 91 78.762 6.007 -7.770 1.00 0.00 C ATOM 1424 C ALA A 91 78.309 7.353 -7.217 1.00 0.00 C ATOM 1425 O ALA A 91 78.687 8.406 -7.732 1.00 0.00 O ATOM 1426 CB ALA A 91 80.237 5.786 -7.434 1.00 0.00 C ATOM 0 H ALA A 91 79.302 6.422 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 91 78.163 5.219 -7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.373 5.823 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.553 4.812 -7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.838 6.566 -7.902 1.00 0.00 H new ATOM 1432 N ASP A 92 77.501 7.309 -6.161 1.00 0.00 N ATOM 1433 CA ASP A 92 77.002 8.528 -5.535 1.00 0.00 C ATOM 1434 C ASP A 92 77.008 8.370 -4.014 1.00 0.00 C ATOM 1435 O ASP A 92 78.043 8.059 -3.425 1.00 0.00 O ATOM 1436 CB ASP A 92 75.584 8.836 -6.037 1.00 0.00 C ATOM 1437 CG ASP A 92 75.518 8.701 -7.557 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.299 7.596 -8.026 1.00 0.00 O ATOM 1439 OD2 ASP A 92 75.686 9.705 -8.230 1.00 0.00 O ATOM 0 H ASP A 92 77.179 6.446 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 92 77.653 9.360 -5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.871 8.154 -5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 92 75.298 9.846 -5.742 1.00 0.00 H new ATOM 1444 N GLU A 93 75.853 8.583 -3.385 1.00 0.00 N ATOM 1445 CA GLU A 93 75.747 8.458 -1.933 1.00 0.00 C ATOM 1446 C GLU A 93 74.717 7.390 -1.568 1.00 0.00 C ATOM 1447 O GLU A 93 73.569 7.706 -1.254 1.00 0.00 O ATOM 1448 CB GLU A 93 75.346 9.806 -1.322 1.00 0.00 C ATOM 1449 CG GLU A 93 75.362 9.718 0.209 1.00 0.00 C ATOM 1450 CD GLU A 93 76.787 9.499 0.710 1.00 0.00 C ATOM 1451 OE1 GLU A 93 77.539 10.460 0.740 1.00 0.00 O ATOM 1452 OE2 GLU A 93 77.106 8.372 1.057 1.00 0.00 O ATOM 0 H GLU A 93 74.985 8.841 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 93 76.716 8.160 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 93 76.033 10.584 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 93 74.352 10.089 -1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 93 74.955 10.634 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 93 74.723 8.900 0.540 1.00 0.00 H new ATOM 1459 N GLU A 94 75.156 6.128 -1.618 1.00 0.00 N ATOM 1460 CA GLU A 94 74.310 4.967 -1.303 1.00 0.00 C ATOM 1461 C GLU A 94 74.669 3.813 -2.233 1.00 0.00 C ATOM 1462 O GLU A 94 75.172 2.776 -1.798 1.00 0.00 O ATOM 1463 CB GLU A 94 72.818 5.301 -1.463 1.00 0.00 C ATOM 1464 CG GLU A 94 71.991 4.010 -1.502 1.00 0.00 C ATOM 1465 CD GLU A 94 70.508 4.344 -1.633 1.00 0.00 C ATOM 1466 OE1 GLU A 94 70.109 4.772 -2.703 1.00 0.00 O ATOM 1467 OE2 GLU A 94 69.793 4.167 -0.661 1.00 0.00 O ATOM 0 H GLU A 94 76.110 5.880 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 94 74.489 4.687 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 94 72.487 5.929 -0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 94 72.661 5.871 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.308 3.390 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 94 72.163 3.431 -0.595 1.00 0.00 H new ATOM 1474 N GLU A 95 74.400 4.016 -3.518 1.00 0.00 N ATOM 1475 CA GLU A 95 74.682 3.013 -4.538 1.00 0.00 C ATOM 1476 C GLU A 95 76.178 2.711 -4.617 1.00 0.00 C ATOM 1477 O GLU A 95 76.592 1.776 -5.299 1.00 0.00 O ATOM 1478 CB GLU A 95 74.186 3.507 -5.902 1.00 0.00 C ATOM 1479 CG GLU A 95 74.725 4.918 -6.172 1.00 0.00 C ATOM 1480 CD GLU A 95 73.656 5.959 -5.850 1.00 0.00 C ATOM 1481 OE1 GLU A 95 73.559 6.344 -4.696 1.00 0.00 O ATOM 1482 OE2 GLU A 95 72.951 6.359 -6.763 1.00 0.00 O ATOM 0 H GLU A 95 73.983 4.874 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 95 74.160 2.096 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.515 2.826 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 95 73.096 3.514 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 95 75.613 5.098 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.027 5.007 -7.216 1.00 0.00 H new ATOM 1489 N LEU A 96 76.979 3.513 -3.920 1.00 0.00 N ATOM 1490 CA LEU A 96 78.431 3.338 -3.921 1.00 0.00 C ATOM 1491 C LEU A 96 78.851 2.042 -3.220 1.00 0.00 C ATOM 1492 O LEU A 96 79.950 1.540 -3.449 1.00 0.00 O ATOM 1493 CB LEU A 96 79.097 4.547 -3.238 1.00 0.00 C ATOM 1494 CG LEU A 96 79.176 4.352 -1.712 1.00 0.00 C ATOM 1495 CD1 LEU A 96 79.927 5.532 -1.089 1.00 0.00 C ATOM 1496 CD2 LEU A 96 77.768 4.283 -1.113 1.00 0.00 C ATOM 0 H LEU A 96 76.649 4.290 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 96 78.760 3.270 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.100 4.689 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.532 5.452 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 96 79.701 3.420 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 96 79.985 5.397 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 96 80.934 5.582 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.397 6.458 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 96 77.838 4.145 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.236 5.210 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.227 3.445 -1.552 1.00 0.00 H new ATOM 1508 N ILE A 97 77.983 1.514 -2.361 1.00 0.00 N ATOM 1509 CA ILE A 97 78.296 0.285 -1.629 1.00 0.00 C ATOM 1510 C ILE A 97 77.716 -0.947 -2.324 1.00 0.00 C ATOM 1511 O ILE A 97 78.432 -1.918 -2.577 1.00 0.00 O ATOM 1512 CB ILE A 97 77.760 0.385 -0.193 1.00 0.00 C ATOM 1513 CG1 ILE A 97 78.750 1.185 0.663 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.596 -1.018 0.408 1.00 0.00 C ATOM 1515 CD1 ILE A 97 77.989 2.009 1.706 1.00 0.00 C ATOM 0 H ILE A 97 77.066 1.911 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 97 79.380 0.172 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 97 76.791 0.884 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.446 0.508 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.343 1.844 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.216 -0.936 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 97 76.894 -1.593 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.562 -1.523 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 97 78.698 2.575 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.311 2.698 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.415 1.342 2.349 1.00 0.00 H new ATOM 1527 N ARG A 98 76.418 -0.912 -2.614 1.00 0.00 N ATOM 1528 CA ARG A 98 75.754 -2.043 -3.259 1.00 0.00 C ATOM 1529 C ARG A 98 76.373 -2.354 -4.620 1.00 0.00 C ATOM 1530 O ARG A 98 76.486 -3.520 -5.003 1.00 0.00 O ATOM 1531 CB ARG A 98 74.260 -1.743 -3.432 1.00 0.00 C ATOM 1532 CG ARG A 98 74.072 -0.592 -4.423 1.00 0.00 C ATOM 1533 CD ARG A 98 72.615 -0.128 -4.402 1.00 0.00 C ATOM 1534 NE ARG A 98 72.328 0.589 -3.164 1.00 0.00 N ATOM 1535 CZ ARG A 98 71.077 0.822 -2.777 1.00 0.00 C ATOM 1536 NH1 ARG A 98 70.385 1.769 -3.347 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.543 0.105 -1.828 1.00 0.00 N ATOM 0 H ARG A 98 75.808 -0.119 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 98 75.884 -2.915 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.741 -2.632 -3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 98 73.819 -1.482 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.731 0.236 -4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.347 -0.915 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.420 0.518 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 98 71.951 -0.988 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 98 73.101 0.917 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 98 70.803 2.330 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 98 69.426 1.948 -3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 98 71.085 -0.635 -1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 98 69.584 0.284 -1.532 1.00 0.00 H new ATOM 1551 N LYS A 99 76.771 -1.314 -5.348 1.00 0.00 N ATOM 1552 CA LYS A 99 77.369 -1.507 -6.665 1.00 0.00 C ATOM 1553 C LYS A 99 78.839 -1.895 -6.537 1.00 0.00 C ATOM 1554 O LYS A 99 79.360 -2.637 -7.367 1.00 0.00 O ATOM 1555 CB LYS A 99 77.224 -0.232 -7.507 1.00 0.00 C ATOM 1556 CG LYS A 99 78.376 0.737 -7.216 1.00 0.00 C ATOM 1557 CD LYS A 99 78.084 2.088 -7.879 1.00 0.00 C ATOM 1558 CE LYS A 99 78.552 2.056 -9.337 1.00 0.00 C ATOM 1559 NZ LYS A 99 79.928 2.620 -9.429 1.00 0.00 N ATOM 0 H LYS A 99 76.692 -0.341 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 99 76.843 -2.319 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 99 77.215 -0.488 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 99 76.271 0.250 -7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.495 0.865 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 99 79.313 0.329 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 99 77.017 2.304 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.594 2.887 -7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.541 1.032 -9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 99 77.869 2.631 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 80.325 2.416 -10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 79.892 3.649 -9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 80.529 2.189 -8.698 1.00 0.00 H new ATOM 1573 N ALA A 100 79.490 -1.419 -5.477 1.00 0.00 N ATOM 1574 CA ALA A 100 80.893 -1.751 -5.241 1.00 0.00 C ATOM 1575 C ALA A 100 81.009 -3.215 -4.854 1.00 0.00 C ATOM 1576 O ALA A 100 82.062 -3.831 -5.008 1.00 0.00 O ATOM 1577 CB ALA A 100 81.463 -0.876 -4.121 1.00 0.00 C ATOM 0 H ALA A 100 79.073 -0.808 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 100 81.460 -1.568 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.509 -1.133 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.388 0.174 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 100 80.898 -1.045 -3.204 1.00 0.00 H new ATOM 1583 N ILE A 101 79.905 -3.760 -4.360 1.00 0.00 N ATOM 1584 CA ILE A 101 79.853 -5.155 -3.954 1.00 0.00 C ATOM 1585 C ILE A 101 79.434 -6.033 -5.134 1.00 0.00 C ATOM 1586 O ILE A 101 79.782 -7.212 -5.200 1.00 0.00 O ATOM 1587 CB ILE A 101 78.840 -5.312 -2.811 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.439 -4.731 -1.523 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.504 -6.795 -2.605 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.322 -4.419 -0.524 1.00 0.00 C ATOM 0 H ILE A 101 79.030 -3.252 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 101 80.842 -5.467 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 101 77.924 -4.777 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.142 -5.440 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.000 -3.824 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.785 -6.896 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.076 -7.202 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.413 -7.343 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.754 -4.007 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.636 -3.693 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.780 -5.334 -0.287 1.00 0.00 H new ATOM 1602 N GLU A 102 78.644 -5.453 -6.033 1.00 0.00 N ATOM 1603 CA GLU A 102 78.124 -6.189 -7.183 1.00 0.00 C ATOM 1604 C GLU A 102 78.978 -6.065 -8.453 1.00 0.00 C ATOM 1605 O GLU A 102 78.728 -6.786 -9.419 1.00 0.00 O ATOM 1606 CB GLU A 102 76.704 -5.706 -7.487 1.00 0.00 C ATOM 1607 CG GLU A 102 75.852 -6.887 -7.950 1.00 0.00 C ATOM 1608 CD GLU A 102 74.478 -6.395 -8.399 1.00 0.00 C ATOM 1609 OE1 GLU A 102 73.628 -6.210 -7.543 1.00 0.00 O ATOM 1610 OE2 GLU A 102 74.297 -6.209 -9.591 1.00 0.00 O ATOM 0 H GLU A 102 78.350 -4.477 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 102 78.142 -7.242 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.264 -5.253 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.728 -4.936 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 102 76.348 -7.404 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.742 -7.607 -7.139 1.00 0.00 H new ATOM 1617 N LEU A 103 79.954 -5.154 -8.494 1.00 0.00 N ATOM 1618 CA LEU A 103 80.746 -5.018 -9.722 1.00 0.00 C ATOM 1619 C LEU A 103 82.054 -5.824 -9.688 1.00 0.00 C ATOM 1620 O LEU A 103 82.183 -6.814 -10.408 1.00 0.00 O ATOM 1621 CB LEU A 103 81.010 -3.535 -10.070 1.00 0.00 C ATOM 1622 CG LEU A 103 81.768 -2.797 -8.957 1.00 0.00 C ATOM 1623 CD1 LEU A 103 83.267 -2.756 -9.279 1.00 0.00 C ATOM 1624 CD2 LEU A 103 81.247 -1.357 -8.875 1.00 0.00 C ATOM 0 H LEU A 103 80.208 -4.526 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 103 80.140 -5.448 -10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 103 81.584 -3.479 -10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 103 80.060 -3.033 -10.253 1.00 0.00 H new ATOM 0 HG LEU A 103 81.614 -3.317 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 103 83.796 -2.231 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 103 83.650 -3.773 -9.359 1.00 0.00 H new ATOM 0 HD13 LEU A 103 83.422 -2.235 -10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 103 81.778 -0.822 -8.088 1.00 0.00 H new ATOM 0 HD22 LEU A 103 81.412 -0.856 -9.829 1.00 0.00 H new ATOM 0 HD23 LEU A 103 80.180 -1.368 -8.650 1.00 0.00 H new ATOM 1636 N SER A 104 83.024 -5.395 -8.889 1.00 0.00 N ATOM 1637 CA SER A 104 84.316 -6.088 -8.820 1.00 0.00 C ATOM 1638 C SER A 104 84.419 -6.984 -7.594 1.00 0.00 C ATOM 1639 O SER A 104 85.379 -7.746 -7.453 1.00 0.00 O ATOM 1640 CB SER A 104 85.456 -5.070 -8.799 1.00 0.00 C ATOM 1641 OG SER A 104 86.694 -5.750 -8.967 1.00 0.00 O ATOM 0 H SER A 104 82.947 -4.578 -8.283 1.00 0.00 H new ATOM 0 HA SER A 104 84.393 -6.718 -9.706 1.00 0.00 H new ATOM 0 HB2 SER A 104 85.319 -4.337 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 104 85.453 -4.522 -7.856 1.00 0.00 H new ATOM 0 HG SER A 104 86.646 -6.628 -8.534 1.00 0.00 H new ATOM 1647 N LEU A 105 83.458 -6.864 -6.691 1.00 0.00 N ATOM 1648 CA LEU A 105 83.480 -7.637 -5.460 1.00 0.00 C ATOM 1649 C LEU A 105 82.767 -8.975 -5.623 1.00 0.00 C ATOM 1650 O LEU A 105 83.256 -10.005 -5.157 1.00 0.00 O ATOM 1651 CB LEU A 105 82.807 -6.816 -4.364 1.00 0.00 C ATOM 1652 CG LEU A 105 83.817 -5.860 -3.706 1.00 0.00 C ATOM 1653 CD1 LEU A 105 84.725 -6.641 -2.756 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.671 -5.171 -4.779 1.00 0.00 C ATOM 0 H LEU A 105 82.656 -6.241 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 105 84.515 -7.853 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.980 -6.245 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.384 -7.481 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 105 83.269 -5.102 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.439 -5.960 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.121 -7.115 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.264 -7.406 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.382 -4.497 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.213 -5.924 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.025 -4.602 -5.448 1.00 0.00 H new ATOM 1666 N LYS A 106 81.606 -8.956 -6.272 1.00 0.00 N ATOM 1667 CA LYS A 106 80.840 -10.181 -6.474 1.00 0.00 C ATOM 1668 C LYS A 106 81.634 -11.188 -7.302 1.00 0.00 C ATOM 1669 O LYS A 106 81.437 -12.397 -7.178 1.00 0.00 O ATOM 1670 CB LYS A 106 79.506 -9.863 -7.161 1.00 0.00 C ATOM 1671 CG LYS A 106 79.729 -9.530 -8.641 1.00 0.00 C ATOM 1672 CD LYS A 106 79.733 -10.819 -9.471 1.00 0.00 C ATOM 1673 CE LYS A 106 78.755 -10.682 -10.641 1.00 0.00 C ATOM 1674 NZ LYS A 106 77.357 -10.725 -10.125 1.00 0.00 N ATOM 0 H LYS A 106 81.179 -8.116 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 106 80.639 -10.624 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 106 78.832 -10.715 -7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 106 79.025 -9.022 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 106 78.944 -8.862 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 106 80.675 -9.004 -8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 106 80.737 -11.019 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 106 79.451 -11.666 -8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 106 78.931 -9.745 -11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 106 78.914 -11.487 -11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 76.703 -10.922 -10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 77.274 -11.475 -9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 77.117 -9.809 -9.696 1.00 0.00 H new ATOM 1688 N GLU A 107 82.535 -10.680 -8.142 1.00 0.00 N ATOM 1689 CA GLU A 107 83.360 -11.544 -8.981 1.00 0.00 C ATOM 1690 C GLU A 107 84.178 -12.497 -8.116 1.00 0.00 C ATOM 1691 O GLU A 107 84.458 -13.628 -8.515 1.00 0.00 O ATOM 1692 CB GLU A 107 84.300 -10.692 -9.844 1.00 0.00 C ATOM 1693 CG GLU A 107 84.009 -10.939 -11.329 1.00 0.00 C ATOM 1694 CD GLU A 107 82.564 -10.567 -11.657 1.00 0.00 C ATOM 1695 OE1 GLU A 107 82.178 -9.447 -11.363 1.00 0.00 O ATOM 1696 OE2 GLU A 107 81.863 -11.408 -12.196 1.00 0.00 O ATOM 0 H GLU A 107 82.711 -9.682 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 107 82.707 -12.128 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 107 84.167 -9.636 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.338 -10.940 -9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 107 84.691 -10.351 -11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 107 84.186 -11.987 -11.571 1.00 0.00 H new ATOM 1703 N SER A 108 84.552 -12.031 -6.928 1.00 0.00 N ATOM 1704 CA SER A 108 85.332 -12.845 -6.002 1.00 0.00 C ATOM 1705 C SER A 108 84.458 -13.934 -5.386 1.00 0.00 C ATOM 1706 O SER A 108 84.929 -15.037 -5.104 1.00 0.00 O ATOM 1707 CB SER A 108 85.912 -11.965 -4.892 1.00 0.00 C ATOM 1708 OG SER A 108 86.194 -10.672 -5.410 1.00 0.00 O ATOM 0 H SER A 108 84.328 -11.097 -6.585 1.00 0.00 H new ATOM 0 HA SER A 108 86.146 -13.314 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 108 85.205 -11.891 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 108 86.822 -12.415 -4.494 1.00 0.00 H new ATOM 0 HG SER A 108 86.564 -10.108 -4.699 1.00 0.00 H new ATOM 1714 N ARG A 109 83.183 -13.613 -5.182 1.00 0.00 N ATOM 1715 CA ARG A 109 82.240 -14.563 -4.600 1.00 0.00 C ATOM 1716 C ARG A 109 81.803 -15.595 -5.637 1.00 0.00 C ATOM 1717 O ARG A 109 81.395 -16.703 -5.287 1.00 0.00 O ATOM 1718 CB ARG A 109 81.015 -13.818 -4.064 1.00 0.00 C ATOM 1719 CG ARG A 109 81.358 -13.164 -2.720 1.00 0.00 C ATOM 1720 CD ARG A 109 80.609 -11.836 -2.583 1.00 0.00 C ATOM 1721 NE ARG A 109 79.169 -12.056 -2.674 1.00 0.00 N ATOM 1722 CZ ARG A 109 78.358 -11.735 -1.671 1.00 0.00 C ATOM 1723 NH1 ARG A 109 78.228 -10.489 -1.309 1.00 0.00 N ATOM 1724 NH2 ARG A 109 77.694 -12.668 -1.046 1.00 0.00 N ATOM 0 H ARG A 109 82.780 -12.704 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 109 82.736 -15.083 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 109 80.697 -13.059 -4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 109 80.181 -14.509 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.087 -13.831 -1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.433 -12.995 -2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.853 -11.370 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 109 80.929 -11.148 -3.365 1.00 0.00 H new ATOM 0 HE ARG A 109 78.778 -12.464 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 109 78.749 -9.760 -1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 109 77.605 -10.244 -0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 109 77.797 -13.643 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 109 77.071 -12.422 -0.276 1.00 0.00 H new ATOM 1738 N ASN A 110 81.891 -15.224 -6.913 1.00 0.00 N ATOM 1739 CA ASN A 110 81.503 -16.126 -7.993 1.00 0.00 C ATOM 1740 C ASN A 110 82.371 -17.382 -7.977 1.00 0.00 C ATOM 1741 O ASN A 110 81.865 -18.499 -8.098 1.00 0.00 O ATOM 1742 CB ASN A 110 81.649 -15.421 -9.345 1.00 0.00 C ATOM 1743 CG ASN A 110 80.657 -14.265 -9.456 1.00 0.00 C ATOM 1744 OD1 ASN A 110 80.748 -13.458 -10.381 1.00 0.00 O ATOM 1745 ND2 ASN A 110 79.709 -14.134 -8.566 1.00 0.00 N ATOM 0 H ASN A 110 82.225 -14.311 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 110 80.462 -16.412 -7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 110 82.666 -15.047 -9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 110 81.479 -16.133 -10.153 1.00 0.00 H new ATOM 0 HD21 ASN A 110 79.045 -13.363 -8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 110 79.633 -14.803 -7.799 1.00 0.00 H new ATOM 1752 N SER A 111 83.678 -17.189 -7.819 1.00 0.00 N ATOM 1753 CA SER A 111 84.611 -18.311 -7.782 1.00 0.00 C ATOM 1754 C SER A 111 84.412 -19.131 -6.511 1.00 0.00 C ATOM 1755 O SER A 111 84.735 -20.318 -6.470 1.00 0.00 O ATOM 1756 CB SER A 111 86.051 -17.794 -7.838 1.00 0.00 C ATOM 1757 OG SER A 111 86.269 -16.890 -6.763 1.00 0.00 O ATOM 0 H SER A 111 84.113 -16.272 -7.715 1.00 0.00 H new ATOM 0 HA SER A 111 84.420 -18.948 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 111 86.751 -18.627 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 111 86.234 -17.295 -8.790 1.00 0.00 H new ATOM 0 HG SER A 111 87.191 -16.559 -6.796 1.00 0.00 H new ATOM 1763 N GLY A 112 83.875 -18.488 -5.476 1.00 0.00 N ATOM 1764 CA GLY A 112 83.631 -19.163 -4.205 1.00 0.00 C ATOM 1765 C GLY A 112 82.505 -20.183 -4.334 1.00 0.00 C ATOM 1766 O GLY A 112 82.388 -21.097 -3.517 1.00 0.00 O ATOM 0 H GLY A 112 83.602 -17.505 -5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 112 84.542 -19.662 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 112 83.375 -18.428 -3.442 1.00 0.00 H new ATOM 1770 N GLY A 113 81.680 -20.021 -5.368 1.00 0.00 N ATOM 1771 CA GLY A 113 80.564 -20.933 -5.600 1.00 0.00 C ATOM 1772 C GLY A 113 81.057 -22.361 -5.813 1.00 0.00 C ATOM 1773 O GLY A 113 80.379 -23.322 -5.444 1.00 0.00 O ATOM 0 H GLY A 113 81.764 -19.271 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 113 79.883 -20.903 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 113 79.999 -20.606 -6.473 1.00 0.00 H new ATOM 1777 N TYR A 114 82.238 -22.493 -6.414 1.00 0.00 N ATOM 1778 CA TYR A 114 82.816 -23.810 -6.676 1.00 0.00 C ATOM 1779 C TYR A 114 84.331 -23.706 -6.843 1.00 0.00 C ATOM 1780 O TYR A 114 84.769 -22.839 -7.583 1.00 0.00 O ATOM 1781 CB TYR A 114 82.198 -24.424 -7.940 1.00 0.00 C ATOM 1782 CG TYR A 114 81.857 -23.333 -8.932 1.00 0.00 C ATOM 1783 CD1 TYR A 114 80.604 -22.708 -8.883 1.00 0.00 C ATOM 1784 CD2 TYR A 114 82.794 -22.946 -9.899 1.00 0.00 C ATOM 1785 CE1 TYR A 114 80.288 -21.699 -9.798 1.00 0.00 C ATOM 1786 CE2 TYR A 114 82.477 -21.935 -10.814 1.00 0.00 C ATOM 1787 CZ TYR A 114 81.225 -21.311 -10.764 1.00 0.00 C ATOM 1788 OH TYR A 114 80.913 -20.315 -11.666 1.00 0.00 O ATOM 1789 OXT TYR A 114 85.030 -24.495 -6.231 1.00 0.00 O ATOM 0 H TYR A 114 82.811 -21.709 -6.727 1.00 0.00 H new ATOM 0 HA TYR A 114 82.597 -24.453 -5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 114 82.896 -25.131 -8.390 1.00 0.00 H new ATOM 0 HB3 TYR A 114 81.300 -24.984 -7.680 1.00 0.00 H new ATOM 0 HD1 TYR A 114 79.881 -23.006 -8.138 1.00 0.00 H new ATOM 0 HD2 TYR A 114 83.760 -23.427 -9.939 1.00 0.00 H new ATOM 0 HE1 TYR A 114 79.321 -21.219 -9.760 1.00 0.00 H new ATOM 0 HE2 TYR A 114 83.199 -21.636 -11.559 1.00 0.00 H new ATOM 0 HH TYR A 114 81.673 -20.167 -12.266 1.00 0.00 H new TER 1799 TYR A 114