USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0903 (180deg=-0.652) USER MOD Single : A 1 MET N :NH3+ 169:sc=-0.00742 (180deg=-0.116) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 130:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= -0.0954 (180deg=-0.538) USER MOD Single : A 11 SER OG : rot 120:sc= -0.644 USER MOD Single : A 12 ASN : amide:sc= 0.274 X(o=0.27,f=-0.22) USER MOD Single : A 16 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= -1.52 (180deg=-1.93) USER MOD Single : A 19 THR OG1 : rot -147:sc= -0.517 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.19) USER MOD Single : A 33 THR OG1 : rot -83:sc= -1.97! USER MOD Single : A 41 HIS : no HD1:sc= -2.04 K(o=-2,f=-6.6!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.228 F(o=-1.8!,f=-0.23) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.37 F(o=-5.1!,f=-2.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 134:sc= -0.087 (180deg=-1.41) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= -0.0569 (180deg=-0.431) USER MOD Single : A 65 SER OG : rot -104:sc= 1.46 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.5) USER MOD Single : A 80 SER OG : rot 92:sc= 1.26 USER MOD Single : A 81 ASN : amide:sc= -0.0502 X(o=-0.05,f=0) USER MOD Single : A 84 THR OG1 : rot 80:sc= 0.887 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0863 K(o=-0.086,f=-1.7!) USER MOD Single : A 90 ASN : amide:sc= 1.22 K(o=1.2,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ -153:sc= -0.0506 (180deg=-0.418) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 95.878 113.604 -46.874 1.00 0.00 N ATOM 2 CA MET A 1 96.021 113.362 -45.443 1.00 0.00 C ATOM 3 C MET A 1 97.490 113.170 -45.055 1.00 0.00 C ATOM 4 O MET A 1 97.895 112.123 -44.561 1.00 0.00 O ATOM 5 CB MET A 1 95.222 112.136 -44.998 1.00 0.00 C ATOM 6 CG MET A 1 95.524 110.911 -45.861 1.00 0.00 C ATOM 7 SD MET A 1 94.843 109.414 -45.127 1.00 0.00 S ATOM 8 CE MET A 1 93.099 109.838 -45.266 1.00 0.00 C ATOM 0 H1 MET A 1 94.874 113.545 -47.137 1.00 0.00 H new ATOM 0 H2 MET A 1 96.241 114.551 -47.104 1.00 0.00 H new ATOM 0 H3 MET A 1 96.417 112.889 -47.403 1.00 0.00 H new ATOM 0 HA MET A 1 95.628 114.244 -44.937 1.00 0.00 H new ATOM 0 HB2 MET A 1 95.453 111.911 -43.957 1.00 0.00 H new ATOM 0 HB3 MET A 1 94.156 112.360 -45.047 1.00 0.00 H new ATOM 0 HG2 MET A 1 95.106 111.053 -46.858 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.602 110.803 -45.980 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.497 108.933 -45.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 92.827 110.527 -44.466 1.00 0.00 H new ATOM 0 HE3 MET A 1 92.915 110.312 -46.230 1.00 0.00 H new ATOM 20 N SER A 2 98.254 114.249 -45.313 1.00 0.00 N ATOM 21 CA SER A 2 99.399 114.539 -44.465 1.00 0.00 C ATOM 22 C SER A 2 98.973 115.472 -43.327 1.00 0.00 C ATOM 23 O SER A 2 99.116 116.686 -43.401 1.00 0.00 O ATOM 24 CB SER A 2 100.499 115.208 -45.304 1.00 0.00 C ATOM 25 OG SER A 2 100.654 114.684 -46.617 1.00 0.00 O ATOM 0 H SER A 2 98.098 114.907 -46.077 1.00 0.00 H new ATOM 0 HA SER A 2 99.783 113.611 -44.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 100.282 116.274 -45.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 101.448 115.111 -44.776 1.00 0.00 H new ATOM 0 HG SER A 2 101.371 115.166 -47.079 1.00 0.00 H new ATOM 31 N LYS A 3 98.442 114.819 -42.279 1.00 0.00 N ATOM 32 CA LYS A 3 98.654 115.372 -40.947 1.00 0.00 C ATOM 33 C LYS A 3 100.140 115.385 -40.507 1.00 0.00 C ATOM 34 O LYS A 3 100.531 116.191 -39.673 1.00 0.00 O ATOM 35 CB LYS A 3 97.738 114.694 -39.924 1.00 0.00 C ATOM 36 CG LYS A 3 98.342 113.459 -39.255 1.00 0.00 C ATOM 37 CD LYS A 3 97.363 112.289 -39.246 1.00 0.00 C ATOM 38 CE LYS A 3 97.235 111.643 -40.626 1.00 0.00 C ATOM 39 NZ LYS A 3 96.005 110.872 -40.769 1.00 0.00 N ATOM 0 H LYS A 3 97.896 113.959 -42.326 1.00 0.00 H new ATOM 0 HA LYS A 3 98.376 116.425 -40.996 1.00 0.00 H new ATOM 0 HB2 LYS A 3 97.476 115.418 -39.153 1.00 0.00 H new ATOM 0 HB3 LYS A 3 96.811 114.407 -40.419 1.00 0.00 H new ATOM 0 HG2 LYS A 3 99.252 113.169 -39.780 1.00 0.00 H new ATOM 0 HG3 LYS A 3 98.628 113.702 -38.232 1.00 0.00 H new ATOM 0 HD2 LYS A 3 97.696 111.542 -38.525 1.00 0.00 H new ATOM 0 HD3 LYS A 3 96.384 112.637 -38.916 1.00 0.00 H new ATOM 0 HE2 LYS A 3 97.265 112.419 -41.391 1.00 0.00 H new ATOM 0 HE3 LYS A 3 98.091 110.991 -40.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 95.966 110.455 -41.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 95.986 110.114 -40.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 95.185 111.497 -40.631 1.00 0.00 H new ATOM 53 N VAL A 4 100.945 114.465 -41.081 1.00 0.00 N ATOM 54 CA VAL A 4 102.183 114.098 -40.409 1.00 0.00 C ATOM 55 C VAL A 4 103.113 115.309 -40.184 1.00 0.00 C ATOM 56 O VAL A 4 103.753 115.427 -39.149 1.00 0.00 O ATOM 57 CB VAL A 4 102.924 113.039 -41.226 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.044 111.823 -41.521 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.508 113.623 -42.509 1.00 0.00 C ATOM 0 H VAL A 4 100.763 113.990 -41.965 1.00 0.00 H new ATOM 0 HA VAL A 4 101.911 113.702 -39.431 1.00 0.00 H new ATOM 0 HB VAL A 4 103.756 112.694 -40.612 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.611 111.096 -42.103 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.726 111.368 -40.583 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.167 112.137 -42.087 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.027 112.840 -43.062 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.704 114.029 -43.123 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.211 114.418 -42.260 1.00 0.00 H new ATOM 69 N THR A 5 103.156 116.198 -41.192 1.00 0.00 N ATOM 70 CA THR A 5 103.950 117.407 -41.042 1.00 0.00 C ATOM 71 C THR A 5 103.495 118.244 -39.826 1.00 0.00 C ATOM 72 O THR A 5 104.311 118.779 -39.085 1.00 0.00 O ATOM 73 CB THR A 5 103.753 118.249 -42.311 1.00 0.00 C ATOM 74 OG1 THR A 5 104.060 117.528 -43.488 1.00 0.00 O ATOM 75 CG2 THR A 5 104.467 119.604 -42.227 1.00 0.00 C ATOM 0 H THR A 5 102.667 116.101 -42.082 1.00 0.00 H new ATOM 0 HA THR A 5 104.993 117.129 -40.889 1.00 0.00 H new ATOM 0 HB THR A 5 102.689 118.478 -42.375 1.00 0.00 H new ATOM 0 HG1 THR A 5 103.919 118.102 -44.270 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.298 120.162 -43.148 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.075 120.170 -41.382 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.537 119.444 -42.091 1.00 0.00 H new ATOM 83 N TYR A 6 102.161 118.324 -39.669 1.00 0.00 N ATOM 84 CA TYR A 6 101.604 118.926 -38.468 1.00 0.00 C ATOM 85 C TYR A 6 101.938 118.120 -37.200 1.00 0.00 C ATOM 86 O TYR A 6 102.170 118.701 -36.149 1.00 0.00 O ATOM 87 CB TYR A 6 100.087 119.083 -38.602 1.00 0.00 C ATOM 88 CG TYR A 6 99.722 120.180 -39.565 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.148 121.507 -39.308 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.943 119.917 -40.721 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.776 122.561 -40.175 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.564 120.969 -41.589 1.00 0.00 C ATOM 93 CZ TYR A 6 98.975 122.296 -41.311 1.00 0.00 C ATOM 94 OH TYR A 6 98.587 123.331 -42.139 1.00 0.00 O ATOM 0 H TYR A 6 101.474 117.987 -40.344 1.00 0.00 H new ATOM 0 HA TYR A 6 102.064 119.909 -38.363 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.653 118.142 -38.941 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.656 119.299 -37.624 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.761 121.715 -38.444 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.636 118.905 -40.941 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.104 123.569 -39.970 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.963 120.760 -42.462 1.00 0.00 H new ATOM 0 HH TYR A 6 98.788 123.098 -43.070 1.00 0.00 H new ATOM 104 N ILE A 7 101.933 116.776 -37.323 1.00 0.00 N ATOM 105 CA ILE A 7 102.345 115.970 -36.179 1.00 0.00 C ATOM 106 C ILE A 7 103.769 116.331 -35.705 1.00 0.00 C ATOM 107 O ILE A 7 104.029 116.482 -34.517 1.00 0.00 O ATOM 108 CB ILE A 7 102.277 114.487 -36.545 1.00 0.00 C ATOM 109 CG1 ILE A 7 100.885 114.107 -37.050 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.686 113.612 -35.360 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.798 114.470 -36.043 1.00 0.00 C ATOM 0 H ILE A 7 101.662 116.258 -38.159 1.00 0.00 H new ATOM 0 HA ILE A 7 101.661 116.181 -35.357 1.00 0.00 H new ATOM 0 HB ILE A 7 102.985 114.311 -37.355 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.690 114.615 -37.994 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.851 113.036 -37.251 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.629 112.562 -35.646 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.707 113.853 -35.065 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.014 113.797 -34.522 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.824 114.184 -36.440 1.00 0.00 H new ATOM 0 HD12 ILE A 7 99.978 113.941 -35.107 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.814 115.545 -35.862 1.00 0.00 H new ATOM 123 N ILE A 8 104.661 116.455 -36.707 1.00 0.00 N ATOM 124 CA ILE A 8 106.009 116.938 -36.447 1.00 0.00 C ATOM 125 C ILE A 8 105.988 118.314 -35.753 1.00 0.00 C ATOM 126 O ILE A 8 106.644 118.526 -34.740 1.00 0.00 O ATOM 127 CB ILE A 8 106.772 117.038 -37.772 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.804 115.700 -38.521 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.192 117.555 -37.541 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.068 115.887 -40.016 1.00 0.00 C ATOM 0 H ILE A 8 104.467 116.229 -37.683 1.00 0.00 H new ATOM 0 HA ILE A 8 106.506 116.234 -35.780 1.00 0.00 H new ATOM 0 HB ILE A 8 106.235 117.750 -38.399 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.578 115.063 -38.093 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.854 115.184 -38.382 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.716 117.618 -38.495 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.149 118.544 -37.084 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.725 116.872 -36.879 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.082 114.914 -40.507 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.280 116.501 -40.451 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.030 116.379 -40.157 1.00 0.00 H new ATOM 142 N LYS A 9 105.201 119.227 -36.358 1.00 0.00 N ATOM 143 CA LYS A 9 105.068 120.565 -35.803 1.00 0.00 C ATOM 144 C LYS A 9 104.615 120.538 -34.330 1.00 0.00 C ATOM 145 O LYS A 9 105.220 121.158 -33.464 1.00 0.00 O ATOM 146 CB LYS A 9 104.030 121.318 -36.634 1.00 0.00 C ATOM 147 CG LYS A 9 104.132 122.832 -36.449 1.00 0.00 C ATOM 148 CD LYS A 9 104.831 123.505 -37.631 1.00 0.00 C ATOM 149 CE LYS A 9 106.343 123.592 -37.426 1.00 0.00 C ATOM 150 NZ LYS A 9 106.703 124.444 -36.299 1.00 0.00 N ATOM 0 H LYS A 9 104.665 119.057 -37.209 1.00 0.00 H new ATOM 0 HA LYS A 9 106.041 121.055 -35.836 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.163 121.072 -37.688 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.031 120.986 -36.353 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.133 123.251 -36.331 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.679 123.050 -35.532 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.620 122.947 -38.543 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.425 124.507 -37.770 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.743 122.591 -37.264 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.808 123.978 -38.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 107.658 124.829 -36.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 106.022 125.226 -36.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 106.686 123.885 -35.422 1.00 0.00 H new ATOM 164 N ALA A 10 103.522 119.781 -34.110 1.00 0.00 N ATOM 165 CA ALA A 10 102.869 119.812 -32.810 1.00 0.00 C ATOM 166 C ALA A 10 103.750 119.156 -31.732 1.00 0.00 C ATOM 167 O ALA A 10 103.922 119.693 -30.644 1.00 0.00 O ATOM 168 CB ALA A 10 101.514 119.100 -32.879 1.00 0.00 C ATOM 0 H ALA A 10 103.092 119.163 -34.798 1.00 0.00 H new ATOM 0 HA ALA A 10 102.712 120.856 -32.538 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.037 119.131 -31.900 1.00 0.00 H new ATOM 0 HB2 ALA A 10 100.877 119.600 -33.609 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.663 118.062 -33.178 1.00 0.00 H new ATOM 174 N SER A 11 104.296 117.972 -32.094 1.00 0.00 N ATOM 175 CA SER A 11 105.277 117.347 -31.221 1.00 0.00 C ATOM 176 C SER A 11 106.411 118.306 -30.805 1.00 0.00 C ATOM 177 O SER A 11 106.788 118.383 -29.642 1.00 0.00 O ATOM 178 CB SER A 11 105.886 116.127 -31.928 1.00 0.00 C ATOM 179 OG SER A 11 107.024 115.569 -31.283 1.00 0.00 O ATOM 0 H SER A 11 104.077 117.460 -32.949 1.00 0.00 H new ATOM 0 HA SER A 11 104.752 117.052 -30.313 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.121 115.356 -32.015 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.165 116.414 -32.942 1.00 0.00 H new ATOM 0 HG SER A 11 106.839 114.637 -31.041 1.00 0.00 H new ATOM 185 N ASN A 12 106.912 119.007 -31.845 1.00 0.00 N ATOM 186 CA ASN A 12 108.008 119.965 -31.762 1.00 0.00 C ATOM 187 C ASN A 12 109.255 119.361 -32.409 1.00 0.00 C ATOM 188 O ASN A 12 110.247 119.058 -31.758 1.00 0.00 O ATOM 189 CB ASN A 12 108.294 120.432 -30.332 1.00 0.00 C ATOM 190 CG ASN A 12 109.109 121.728 -30.357 1.00 0.00 C ATOM 191 OD1 ASN A 12 108.612 122.812 -30.076 1.00 0.00 O ATOM 192 ND2 ASN A 12 110.391 121.536 -30.713 1.00 0.00 N ATOM 0 H ASN A 12 106.544 118.910 -32.792 1.00 0.00 H new ATOM 0 HA ASN A 12 107.708 120.861 -32.306 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.357 120.592 -29.799 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.840 119.660 -29.791 1.00 0.00 H new ATOM 0 HD21 ASN A 12 111.030 122.329 -30.765 1.00 0.00 H new ATOM 0 HD22 ASN A 12 110.724 120.597 -30.931 1.00 0.00 H new ATOM 199 N ASP A 13 109.119 119.203 -33.741 1.00 0.00 N ATOM 200 CA ASP A 13 110.236 118.746 -34.564 1.00 0.00 C ATOM 201 C ASP A 13 110.991 117.557 -33.938 1.00 0.00 C ATOM 202 O ASP A 13 112.214 117.540 -33.861 1.00 0.00 O ATOM 203 CB ASP A 13 111.191 119.907 -34.858 1.00 0.00 C ATOM 204 CG ASP A 13 111.735 120.537 -33.571 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.472 119.866 -32.849 1.00 0.00 O ATOM 206 OD2 ASP A 13 111.416 121.695 -33.306 1.00 0.00 O ATOM 0 H ASP A 13 108.257 119.384 -34.255 1.00 0.00 H new ATOM 0 HA ASP A 13 109.815 118.385 -35.502 1.00 0.00 H new ATOM 0 HB2 ASP A 13 112.021 119.549 -35.467 1.00 0.00 H new ATOM 0 HB3 ASP A 13 110.671 120.666 -35.443 1.00 0.00 H new ATOM 211 N VAL A 14 110.181 116.569 -33.510 1.00 0.00 N ATOM 212 CA VAL A 14 110.711 115.235 -33.284 1.00 0.00 C ATOM 213 C VAL A 14 110.538 114.393 -34.555 1.00 0.00 C ATOM 214 O VAL A 14 111.499 113.952 -35.174 1.00 0.00 O ATOM 215 CB VAL A 14 109.964 114.611 -32.103 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.257 113.117 -31.960 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.291 115.352 -30.807 1.00 0.00 C ATOM 0 H VAL A 14 109.184 116.676 -33.321 1.00 0.00 H new ATOM 0 HA VAL A 14 111.775 115.277 -33.050 1.00 0.00 H new ATOM 0 HB VAL A 14 108.898 114.712 -32.306 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.705 112.718 -31.109 1.00 0.00 H new ATOM 0 HG12 VAL A 14 109.950 112.597 -32.868 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.325 112.969 -31.801 1.00 0.00 H new ATOM 0 HG21 VAL A 14 109.750 114.893 -29.979 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.363 115.295 -30.616 1.00 0.00 H new ATOM 0 HG23 VAL A 14 109.994 116.397 -30.900 1.00 0.00 H new ATOM 227 N LEU A 15 109.248 114.206 -34.896 1.00 0.00 N ATOM 228 CA LEU A 15 108.925 113.216 -35.906 1.00 0.00 C ATOM 229 C LEU A 15 109.528 113.641 -37.250 1.00 0.00 C ATOM 230 O LEU A 15 109.982 114.764 -37.432 1.00 0.00 O ATOM 231 CB LEU A 15 107.404 113.077 -36.053 1.00 0.00 C ATOM 232 CG LEU A 15 106.663 112.569 -34.807 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.119 111.181 -34.350 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.727 113.566 -33.654 1.00 0.00 C ATOM 0 H LEU A 15 108.454 114.709 -34.500 1.00 0.00 H new ATOM 0 HA LEU A 15 109.340 112.255 -35.601 1.00 0.00 H new ATOM 0 HB2 LEU A 15 106.993 114.048 -36.328 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.197 112.397 -36.880 1.00 0.00 H new ATOM 0 HG LEU A 15 105.622 112.471 -35.115 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.554 110.885 -33.466 1.00 0.00 H new ATOM 0 HD12 LEU A 15 106.946 110.460 -35.149 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.182 111.208 -34.109 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.190 113.164 -32.795 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.768 113.741 -33.382 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.269 114.507 -33.960 1.00 0.00 H new ATOM 246 N ASN A 16 109.497 112.659 -38.171 1.00 0.00 N ATOM 247 CA ASN A 16 109.446 112.992 -39.587 1.00 0.00 C ATOM 248 C ASN A 16 107.975 112.975 -40.039 1.00 0.00 C ATOM 249 O ASN A 16 107.067 113.137 -39.233 1.00 0.00 O ATOM 250 CB ASN A 16 110.322 112.005 -40.371 1.00 0.00 C ATOM 251 CG ASN A 16 111.789 112.160 -39.960 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.159 113.057 -39.213 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.590 111.225 -40.501 1.00 0.00 N ATOM 0 H ASN A 16 109.506 111.661 -37.959 1.00 0.00 H new ATOM 0 HA ASN A 16 109.842 113.990 -39.777 1.00 0.00 H new ATOM 0 HB2 ASN A 16 109.990 110.984 -40.183 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.216 112.183 -41.441 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.589 111.230 -40.297 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.198 110.511 -41.115 1.00 0.00 H new ATOM 260 N GLU A 17 107.786 112.776 -41.360 1.00 0.00 N ATOM 261 CA GLU A 17 106.570 112.114 -41.811 1.00 0.00 C ATOM 262 C GLU A 17 106.382 110.747 -41.129 1.00 0.00 C ATOM 263 O GLU A 17 105.367 110.479 -40.499 1.00 0.00 O ATOM 264 CB GLU A 17 106.618 111.936 -43.329 1.00 0.00 C ATOM 265 CG GLU A 17 106.717 113.275 -44.060 1.00 0.00 C ATOM 266 CD GLU A 17 108.180 113.717 -44.149 1.00 0.00 C ATOM 267 OE1 GLU A 17 108.899 113.195 -44.999 1.00 0.00 O ATOM 268 OE2 GLU A 17 108.581 114.577 -43.368 1.00 0.00 O ATOM 0 H GLU A 17 108.435 113.054 -42.096 1.00 0.00 H new ATOM 0 HA GLU A 17 105.721 112.741 -41.537 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.473 111.314 -43.594 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.724 111.407 -43.660 1.00 0.00 H new ATOM 0 HG2 GLU A 17 106.295 113.184 -45.061 1.00 0.00 H new ATOM 0 HG3 GLU A 17 106.132 114.030 -43.534 1.00 0.00 H new ATOM 275 N LYS A 18 107.422 109.912 -41.300 1.00 0.00 N ATOM 276 CA LYS A 18 107.214 108.483 -41.119 1.00 0.00 C ATOM 277 C LYS A 18 106.828 108.140 -39.671 1.00 0.00 C ATOM 278 O LYS A 18 105.860 107.434 -39.421 1.00 0.00 O ATOM 279 CB LYS A 18 108.489 107.740 -41.506 1.00 0.00 C ATOM 280 CG LYS A 18 108.737 107.801 -43.010 1.00 0.00 C ATOM 281 CD LYS A 18 109.852 106.851 -43.438 1.00 0.00 C ATOM 282 CE LYS A 18 110.609 107.373 -44.660 1.00 0.00 C ATOM 283 NZ LYS A 18 111.164 106.296 -45.472 1.00 0.00 N ATOM 0 H LYS A 18 108.370 110.193 -41.552 1.00 0.00 H new ATOM 0 HA LYS A 18 106.388 108.174 -41.759 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.338 108.174 -40.978 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.415 106.699 -41.190 1.00 0.00 H new ATOM 0 HG2 LYS A 18 107.819 107.547 -43.541 1.00 0.00 H new ATOM 0 HG3 LYS A 18 108.998 108.820 -43.295 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.549 106.713 -42.611 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.428 105.873 -43.664 1.00 0.00 H new ATOM 0 HE2 LYS A 18 109.936 107.975 -45.271 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.415 108.029 -44.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 111.594 106.695 -46.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 111.889 105.788 -44.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 110.406 105.636 -45.739 1.00 0.00 H new ATOM 297 N THR A 19 107.632 108.687 -38.739 1.00 0.00 N ATOM 298 CA THR A 19 107.299 108.497 -37.335 1.00 0.00 C ATOM 299 C THR A 19 105.969 109.166 -36.930 1.00 0.00 C ATOM 300 O THR A 19 105.255 108.670 -36.067 1.00 0.00 O ATOM 301 CB THR A 19 108.450 109.020 -36.476 1.00 0.00 C ATOM 302 OG1 THR A 19 108.727 110.370 -36.774 1.00 0.00 O ATOM 303 CG2 THR A 19 109.704 108.158 -36.643 1.00 0.00 C ATOM 0 H THR A 19 108.472 109.235 -38.928 1.00 0.00 H new ATOM 0 HA THR A 19 107.158 107.429 -37.170 1.00 0.00 H new ATOM 0 HB THR A 19 108.140 108.958 -35.433 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.686 110.539 -36.665 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.505 108.556 -36.019 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.484 107.134 -36.342 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.017 108.170 -37.687 1.00 0.00 H new ATOM 311 N ALA A 20 105.678 110.309 -37.577 1.00 0.00 N ATOM 312 CA ALA A 20 104.417 110.980 -37.313 1.00 0.00 C ATOM 313 C ALA A 20 103.204 110.102 -37.686 1.00 0.00 C ATOM 314 O ALA A 20 102.257 109.985 -36.919 1.00 0.00 O ATOM 315 CB ALA A 20 104.386 112.281 -38.122 1.00 0.00 C ATOM 0 H ALA A 20 106.282 110.765 -38.261 1.00 0.00 H new ATOM 0 HA ALA A 20 104.348 111.184 -36.245 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.446 112.801 -37.938 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.218 112.917 -37.820 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.472 112.051 -39.184 1.00 0.00 H new ATOM 321 N THR A 21 103.282 109.499 -38.889 1.00 0.00 N ATOM 322 CA THR A 21 102.199 108.603 -39.291 1.00 0.00 C ATOM 323 C THR A 21 102.126 107.320 -38.433 1.00 0.00 C ATOM 324 O THR A 21 101.050 106.824 -38.124 1.00 0.00 O ATOM 325 CB THR A 21 102.289 108.308 -40.795 1.00 0.00 C ATOM 326 OG1 THR A 21 101.027 107.954 -41.314 1.00 0.00 O ATOM 327 CG2 THR A 21 103.347 107.266 -41.176 1.00 0.00 C ATOM 0 H THR A 21 104.041 109.610 -39.561 1.00 0.00 H new ATOM 0 HA THR A 21 101.256 109.117 -39.104 1.00 0.00 H new ATOM 0 HB THR A 21 102.622 109.240 -41.253 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.107 107.772 -42.274 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.341 107.120 -42.256 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.331 107.615 -40.862 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.122 106.321 -40.681 1.00 0.00 H new ATOM 335 N ILE A 22 103.321 106.813 -38.085 1.00 0.00 N ATOM 336 CA ILE A 22 103.388 105.568 -37.331 1.00 0.00 C ATOM 337 C ILE A 22 102.843 105.751 -35.902 1.00 0.00 C ATOM 338 O ILE A 22 101.992 104.998 -35.442 1.00 0.00 O ATOM 339 CB ILE A 22 104.849 105.120 -37.266 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.418 104.859 -38.668 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.045 103.931 -36.313 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.459 103.379 -39.057 1.00 0.00 C ATOM 0 H ILE A 22 104.222 107.236 -38.309 1.00 0.00 H new ATOM 0 HA ILE A 22 102.775 104.817 -37.830 1.00 0.00 H new ATOM 0 HB ILE A 22 105.426 105.942 -36.843 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.817 105.400 -39.399 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.428 105.266 -38.721 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.097 103.646 -36.298 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.731 104.214 -35.308 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.446 103.087 -36.656 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.873 103.278 -40.060 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.084 102.834 -38.350 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.449 102.970 -39.039 1.00 0.00 H new ATOM 354 N LEU A 23 103.385 106.793 -35.239 1.00 0.00 N ATOM 355 CA LEU A 23 102.862 107.178 -33.936 1.00 0.00 C ATOM 356 C LEU A 23 101.329 107.371 -33.953 1.00 0.00 C ATOM 357 O LEU A 23 100.650 107.063 -32.983 1.00 0.00 O ATOM 358 CB LEU A 23 103.569 108.472 -33.494 1.00 0.00 C ATOM 359 CG LEU A 23 102.853 109.252 -32.385 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.695 108.393 -31.131 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.593 110.553 -32.069 1.00 0.00 C ATOM 0 H LEU A 23 104.161 107.361 -35.581 1.00 0.00 H new ATOM 0 HA LEU A 23 103.061 106.375 -33.227 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.573 108.222 -33.152 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.681 109.122 -34.362 1.00 0.00 H new ATOM 0 HG LEU A 23 101.856 109.511 -32.742 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.184 108.968 -30.358 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.109 107.505 -31.370 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.678 108.093 -30.770 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.066 111.089 -31.279 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.606 110.324 -31.739 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.635 111.174 -32.964 1.00 0.00 H new ATOM 373 N ILE A 24 100.831 107.905 -35.084 1.00 0.00 N ATOM 374 CA ILE A 24 99.398 108.092 -35.216 1.00 0.00 C ATOM 375 C ILE A 24 98.637 106.754 -35.209 1.00 0.00 C ATOM 376 O ILE A 24 97.631 106.604 -34.528 1.00 0.00 O ATOM 377 CB ILE A 24 99.146 108.902 -36.484 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.626 110.329 -36.241 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.689 108.840 -36.957 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.527 111.220 -35.662 1.00 0.00 C ATOM 0 H ILE A 24 101.387 108.201 -35.886 1.00 0.00 H new ATOM 0 HA ILE A 24 99.014 108.639 -34.355 1.00 0.00 H new ATOM 0 HB ILE A 24 99.713 108.463 -37.305 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.475 110.313 -35.558 1.00 0.00 H new ATOM 0 HG13 ILE A 24 99.980 110.756 -37.179 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.575 109.436 -37.862 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.418 107.805 -37.167 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.037 109.235 -36.178 1.00 0.00 H new ATOM 0 HD11 ILE A 24 98.918 112.226 -35.507 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.688 111.260 -36.356 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.191 110.810 -34.709 1.00 0.00 H new ATOM 392 N THR A 25 99.163 105.804 -36.004 1.00 0.00 N ATOM 393 CA THR A 25 98.463 104.533 -36.127 1.00 0.00 C ATOM 394 C THR A 25 98.313 103.839 -34.757 1.00 0.00 C ATOM 395 O THR A 25 97.234 103.394 -34.387 1.00 0.00 O ATOM 396 CB THR A 25 99.204 103.609 -37.103 1.00 0.00 C ATOM 397 OG1 THR A 25 99.884 104.325 -38.111 1.00 0.00 O ATOM 398 CG2 THR A 25 98.260 102.574 -37.718 1.00 0.00 C ATOM 0 H THR A 25 100.026 105.891 -36.541 1.00 0.00 H new ATOM 0 HA THR A 25 97.465 104.739 -36.514 1.00 0.00 H new ATOM 0 HB THR A 25 99.957 103.081 -36.518 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.342 103.696 -38.707 1.00 0.00 H new ATOM 0 HG21 THR A 25 98.817 101.936 -38.404 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.825 101.963 -36.927 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.465 103.084 -38.262 1.00 0.00 H new ATOM 406 N ILE A 26 99.451 103.773 -34.035 1.00 0.00 N ATOM 407 CA ILE A 26 99.385 103.304 -32.657 1.00 0.00 C ATOM 408 C ILE A 26 98.467 104.194 -31.796 1.00 0.00 C ATOM 409 O ILE A 26 97.584 103.721 -31.092 1.00 0.00 O ATOM 410 CB ILE A 26 100.782 103.292 -32.030 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.827 102.561 -32.882 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.720 102.666 -30.641 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.168 103.290 -32.838 1.00 0.00 C ATOM 0 H ILE A 26 100.379 104.028 -34.372 1.00 0.00 H new ATOM 0 HA ILE A 26 98.975 102.294 -32.682 1.00 0.00 H new ATOM 0 HB ILE A 26 101.103 104.332 -31.966 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.950 101.541 -32.518 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.479 102.492 -33.913 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.717 102.660 -30.200 1.00 0.00 H new ATOM 0 HG22 ILE A 26 100.047 103.247 -30.010 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.352 101.643 -30.719 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.894 102.754 -33.449 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.045 104.302 -33.225 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.524 103.336 -31.809 1.00 0.00 H new ATOM 425 N ALA A 27 98.744 105.506 -31.909 1.00 0.00 N ATOM 426 CA ALA A 27 98.108 106.483 -31.029 1.00 0.00 C ATOM 427 C ALA A 27 96.573 106.356 -31.024 1.00 0.00 C ATOM 428 O ALA A 27 95.941 106.346 -29.974 1.00 0.00 O ATOM 429 CB ALA A 27 98.478 107.896 -31.489 1.00 0.00 C ATOM 0 H ALA A 27 99.393 105.901 -32.590 1.00 0.00 H new ATOM 0 HA ALA A 27 98.467 106.290 -30.018 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.005 108.627 -30.834 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.560 108.020 -31.449 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.133 108.048 -32.512 1.00 0.00 H new ATOM 435 N LYS A 28 96.014 106.262 -32.248 1.00 0.00 N ATOM 436 CA LYS A 28 94.590 105.985 -32.382 1.00 0.00 C ATOM 437 C LYS A 28 94.189 104.723 -31.600 1.00 0.00 C ATOM 438 O LYS A 28 93.319 104.743 -30.739 1.00 0.00 O ATOM 439 CB LYS A 28 94.230 105.823 -33.866 1.00 0.00 C ATOM 440 CG LYS A 28 92.846 106.395 -34.176 1.00 0.00 C ATOM 441 CD LYS A 28 91.754 105.328 -34.087 1.00 0.00 C ATOM 442 CE LYS A 28 90.495 105.851 -33.395 1.00 0.00 C ATOM 443 NZ LYS A 28 89.609 104.774 -32.967 1.00 0.00 N ATOM 0 H LYS A 28 96.519 106.372 -33.128 1.00 0.00 H new ATOM 0 HA LYS A 28 94.038 106.827 -31.963 1.00 0.00 H new ATOM 0 HB2 LYS A 28 94.978 106.326 -34.479 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.256 104.767 -34.134 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.622 107.202 -33.478 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.848 106.829 -35.176 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.500 104.985 -35.090 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.135 104.464 -33.542 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.781 106.449 -32.529 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.957 106.512 -34.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 88.770 105.178 -32.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 89.313 104.218 -33.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 90.111 104.157 -32.297 1.00 0.00 H new ATOM 457 N LYS A 29 94.892 103.638 -31.971 1.00 0.00 N ATOM 458 CA LYS A 29 94.420 102.305 -31.660 1.00 0.00 C ATOM 459 C LYS A 29 95.064 101.826 -30.351 1.00 0.00 C ATOM 460 O LYS A 29 96.279 101.801 -30.200 1.00 0.00 O ATOM 461 CB LYS A 29 94.816 101.362 -32.791 1.00 0.00 C ATOM 462 CG LYS A 29 94.254 99.968 -32.565 1.00 0.00 C ATOM 463 CD LYS A 29 94.472 99.079 -33.787 1.00 0.00 C ATOM 464 CE LYS A 29 93.316 99.176 -34.782 1.00 0.00 C ATOM 465 NZ LYS A 29 93.706 98.773 -36.127 1.00 0.00 N ATOM 0 H LYS A 29 95.776 103.671 -32.479 1.00 0.00 H new ATOM 0 HA LYS A 29 93.336 102.315 -31.548 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.451 101.755 -33.740 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.902 101.312 -32.863 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.731 99.518 -31.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.188 100.034 -32.346 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.400 99.365 -34.282 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.587 98.044 -33.466 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.493 98.547 -34.441 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.945 100.201 -34.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.947 99.014 -36.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 94.578 99.270 -36.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 93.872 97.747 -36.147 1.00 0.00 H new ATOM 479 N ASP A 30 94.161 101.453 -29.427 1.00 0.00 N ATOM 480 CA ASP A 30 94.566 101.013 -28.109 1.00 0.00 C ATOM 481 C ASP A 30 94.701 99.485 -28.089 1.00 0.00 C ATOM 482 O ASP A 30 93.721 98.757 -28.197 1.00 0.00 O ATOM 483 CB ASP A 30 93.504 101.445 -27.103 1.00 0.00 C ATOM 484 CG ASP A 30 93.484 102.970 -26.983 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.554 103.562 -26.850 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.399 103.548 -27.023 1.00 0.00 O ATOM 0 H ASP A 30 93.153 101.452 -29.582 1.00 0.00 H new ATOM 0 HA ASP A 30 95.528 101.456 -27.851 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.525 101.084 -27.418 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.710 100.998 -26.130 1.00 0.00 H new ATOM 491 N PHE A 31 95.971 99.055 -27.950 1.00 0.00 N ATOM 492 CA PHE A 31 96.325 97.681 -28.298 1.00 0.00 C ATOM 493 C PHE A 31 95.967 97.403 -29.767 1.00 0.00 C ATOM 494 O PHE A 31 95.186 96.515 -30.086 1.00 0.00 O ATOM 495 CB PHE A 31 95.622 96.654 -27.395 1.00 0.00 C ATOM 496 CG PHE A 31 96.010 96.774 -25.942 1.00 0.00 C ATOM 497 CD1 PHE A 31 95.328 97.689 -25.100 1.00 0.00 C ATOM 498 CD2 PHE A 31 97.048 95.973 -25.395 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.661 97.791 -23.728 1.00 0.00 C ATOM 500 CE2 PHE A 31 97.381 96.072 -24.022 1.00 0.00 C ATOM 501 CZ PHE A 31 96.685 96.979 -23.187 1.00 0.00 C ATOM 0 H PHE A 31 96.743 99.627 -27.608 1.00 0.00 H new ATOM 0 HA PHE A 31 97.399 97.575 -28.148 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.543 96.778 -27.487 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.859 95.650 -27.746 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.548 98.314 -25.509 1.00 0.00 H new ATOM 0 HD2 PHE A 31 97.586 95.285 -26.030 1.00 0.00 H new ATOM 0 HE1 PHE A 31 95.133 98.489 -23.094 1.00 0.00 H new ATOM 0 HE2 PHE A 31 98.167 95.455 -23.612 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.935 97.051 -22.139 1.00 0.00 H new ATOM 511 N ILE A 32 96.599 98.227 -30.626 1.00 0.00 N ATOM 512 CA ILE A 32 97.240 97.740 -31.833 1.00 0.00 C ATOM 513 C ILE A 32 98.224 96.605 -31.498 1.00 0.00 C ATOM 514 O ILE A 32 98.153 95.984 -30.446 1.00 0.00 O ATOM 515 CB ILE A 32 97.904 98.937 -32.540 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.986 98.687 -34.040 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.276 99.289 -31.958 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.048 99.994 -34.827 1.00 0.00 C ATOM 0 H ILE A 32 96.672 99.236 -30.493 1.00 0.00 H new ATOM 0 HA ILE A 32 96.512 97.305 -32.518 1.00 0.00 H new ATOM 0 HB ILE A 32 97.270 99.806 -32.362 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.868 98.087 -34.261 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.119 98.110 -34.361 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.693 100.140 -32.497 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.169 99.545 -30.904 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.944 98.433 -32.058 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.106 99.774 -35.893 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.153 100.583 -34.626 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.930 100.559 -34.525 1.00 0.00 H new ATOM 530 N THR A 33 99.131 96.368 -32.459 1.00 0.00 N ATOM 531 CA THR A 33 100.503 96.065 -32.075 1.00 0.00 C ATOM 532 C THR A 33 101.453 96.699 -33.099 1.00 0.00 C ATOM 533 O THR A 33 101.038 97.375 -34.034 1.00 0.00 O ATOM 534 CB THR A 33 100.713 94.541 -31.992 1.00 0.00 C ATOM 535 OG1 THR A 33 100.863 93.944 -33.261 1.00 0.00 O ATOM 536 CG2 THR A 33 99.604 93.834 -31.198 1.00 0.00 C ATOM 0 H THR A 33 98.945 96.380 -33.462 1.00 0.00 H new ATOM 0 HA THR A 33 100.712 96.479 -31.089 1.00 0.00 H new ATOM 0 HB THR A 33 101.649 94.409 -31.448 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.979 93.777 -33.651 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.802 92.762 -31.171 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.580 94.224 -30.180 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.642 94.013 -31.678 1.00 0.00 H new ATOM 544 N ALA A 34 102.752 96.435 -32.871 1.00 0.00 N ATOM 545 CA ALA A 34 103.694 96.591 -33.976 1.00 0.00 C ATOM 546 C ALA A 34 103.250 95.828 -35.242 1.00 0.00 C ATOM 547 O ALA A 34 103.312 96.345 -36.350 1.00 0.00 O ATOM 548 CB ALA A 34 105.081 96.116 -33.539 1.00 0.00 C ATOM 0 H ALA A 34 103.150 96.130 -31.983 1.00 0.00 H new ATOM 0 HA ALA A 34 103.724 97.650 -34.234 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.783 96.233 -34.365 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.418 96.710 -32.689 1.00 0.00 H new ATOM 0 HB3 ALA A 34 105.032 95.066 -33.251 1.00 0.00 H new ATOM 554 N ALA A 35 102.796 94.582 -35.003 1.00 0.00 N ATOM 555 CA ALA A 35 102.366 93.725 -36.099 1.00 0.00 C ATOM 556 C ALA A 35 101.295 94.407 -36.975 1.00 0.00 C ATOM 557 O ALA A 35 101.405 94.442 -38.195 1.00 0.00 O ATOM 558 CB ALA A 35 101.842 92.392 -35.543 1.00 0.00 C ATOM 0 H ALA A 35 102.722 94.163 -34.076 1.00 0.00 H new ATOM 0 HA ALA A 35 103.229 93.535 -36.737 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.522 91.755 -36.367 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.635 91.893 -34.986 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.997 92.581 -34.881 1.00 0.00 H new ATOM 564 N GLU A 36 100.259 94.937 -36.294 1.00 0.00 N ATOM 565 CA GLU A 36 99.233 95.641 -37.045 1.00 0.00 C ATOM 566 C GLU A 36 99.795 96.875 -37.779 1.00 0.00 C ATOM 567 O GLU A 36 99.443 97.133 -38.923 1.00 0.00 O ATOM 568 CB GLU A 36 98.070 96.044 -36.127 1.00 0.00 C ATOM 569 CG GLU A 36 96.734 95.580 -36.696 1.00 0.00 C ATOM 570 CD GLU A 36 95.658 95.625 -35.611 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.919 95.155 -34.505 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.570 96.130 -35.883 1.00 0.00 O ATOM 0 H GLU A 36 100.123 94.891 -35.284 1.00 0.00 H new ATOM 0 HA GLU A 36 98.861 94.953 -37.804 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.217 95.611 -35.138 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.059 97.127 -36.003 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.445 96.216 -37.532 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.828 94.566 -37.085 1.00 0.00 H new ATOM 579 N VAL A 37 100.676 97.619 -37.078 1.00 0.00 N ATOM 580 CA VAL A 37 101.238 98.794 -37.728 1.00 0.00 C ATOM 581 C VAL A 37 102.006 98.426 -39.020 1.00 0.00 C ATOM 582 O VAL A 37 101.907 99.121 -40.024 1.00 0.00 O ATOM 583 CB VAL A 37 102.157 99.533 -36.748 1.00 0.00 C ATOM 584 CG1 VAL A 37 102.888 100.686 -37.440 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.370 100.046 -35.540 1.00 0.00 C ATOM 0 H VAL A 37 100.990 97.436 -36.125 1.00 0.00 H new ATOM 0 HA VAL A 37 100.415 99.447 -38.019 1.00 0.00 H new ATOM 0 HB VAL A 37 102.903 98.822 -36.394 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.532 101.192 -36.721 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.494 100.294 -38.257 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.159 101.394 -37.835 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.045 100.566 -34.860 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.593 100.733 -35.877 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.910 99.205 -35.021 1.00 0.00 H new ATOM 595 N ARG A 38 102.766 97.313 -38.946 1.00 0.00 N ATOM 596 CA ARG A 38 103.285 96.724 -40.171 1.00 0.00 C ATOM 597 C ARG A 38 102.177 96.448 -41.212 1.00 0.00 C ATOM 598 O ARG A 38 102.333 96.723 -42.396 1.00 0.00 O ATOM 599 CB ARG A 38 104.023 95.432 -39.835 1.00 0.00 C ATOM 600 CG ARG A 38 105.199 95.679 -38.890 1.00 0.00 C ATOM 601 CD ARG A 38 106.359 94.713 -39.149 1.00 0.00 C ATOM 602 NE ARG A 38 106.398 93.668 -38.139 1.00 0.00 N ATOM 603 CZ ARG A 38 107.547 92.994 -37.942 1.00 0.00 C ATOM 604 NH1 ARG A 38 108.208 92.486 -38.979 1.00 0.00 N ATOM 605 NH2 ARG A 38 108.021 92.837 -36.710 1.00 0.00 N ATOM 0 H ARG A 38 103.019 96.830 -38.084 1.00 0.00 H new ATOM 0 HA ARG A 38 103.969 97.444 -40.621 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.330 94.726 -39.376 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.386 94.971 -40.754 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.549 96.705 -39.008 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.863 95.573 -37.858 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.252 94.266 -40.137 1.00 0.00 H new ATOM 0 HD3 ARG A 38 107.301 95.261 -39.148 1.00 0.00 H new ATOM 0 HE ARG A 38 105.568 93.449 -37.588 1.00 0.00 H new ATOM 0 HH11 ARG A 38 107.844 92.607 -39.924 1.00 0.00 H new ATOM 0 HH12 ARG A 38 109.078 91.976 -38.829 1.00 0.00 H new ATOM 0 HH21 ARG A 38 107.514 93.227 -35.915 1.00 0.00 H new ATOM 0 HH22 ARG A 38 108.891 92.327 -36.560 1.00 0.00 H new ATOM 619 N GLU A 39 101.063 95.888 -40.703 1.00 0.00 N ATOM 620 CA GLU A 39 100.043 95.372 -41.605 1.00 0.00 C ATOM 621 C GLU A 39 99.286 96.501 -42.333 1.00 0.00 C ATOM 622 O GLU A 39 98.998 96.412 -43.521 1.00 0.00 O ATOM 623 CB GLU A 39 99.058 94.533 -40.797 1.00 0.00 C ATOM 624 CG GLU A 39 99.732 93.298 -40.204 1.00 0.00 C ATOM 625 CD GLU A 39 99.323 92.024 -40.951 1.00 0.00 C ATOM 626 OE1 GLU A 39 99.134 92.090 -42.164 1.00 0.00 O ATOM 627 OE2 GLU A 39 99.199 90.982 -40.309 1.00 0.00 O ATOM 0 H GLU A 39 100.860 95.788 -39.709 1.00 0.00 H new ATOM 0 HA GLU A 39 100.534 94.768 -42.368 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.635 95.138 -39.995 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.230 94.226 -41.436 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.815 93.416 -40.249 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.465 93.206 -39.151 1.00 0.00 H new ATOM 634 N VAL A 40 98.986 97.558 -41.551 1.00 0.00 N ATOM 635 CA VAL A 40 98.102 98.610 -42.032 1.00 0.00 C ATOM 636 C VAL A 40 98.821 99.679 -42.877 1.00 0.00 C ATOM 637 O VAL A 40 98.168 100.507 -43.499 1.00 0.00 O ATOM 638 CB VAL A 40 97.444 99.317 -40.847 1.00 0.00 C ATOM 639 CG1 VAL A 40 98.488 99.942 -39.921 1.00 0.00 C ATOM 640 CG2 VAL A 40 96.471 100.391 -41.337 1.00 0.00 C ATOM 0 H VAL A 40 99.340 97.695 -40.604 1.00 0.00 H new ATOM 0 HA VAL A 40 97.368 98.115 -42.668 1.00 0.00 H new ATOM 0 HB VAL A 40 96.892 98.567 -40.280 1.00 0.00 H new ATOM 0 HG11 VAL A 40 97.987 100.437 -39.089 1.00 0.00 H new ATOM 0 HG12 VAL A 40 99.146 99.163 -39.537 1.00 0.00 H new ATOM 0 HG13 VAL A 40 99.076 100.673 -40.476 1.00 0.00 H new ATOM 0 HG21 VAL A 40 96.012 100.884 -40.480 1.00 0.00 H new ATOM 0 HG22 VAL A 40 97.011 101.127 -41.933 1.00 0.00 H new ATOM 0 HG23 VAL A 40 95.696 99.928 -41.948 1.00 0.00 H new ATOM 650 N HIS A 41 100.168 99.657 -42.862 1.00 0.00 N ATOM 651 CA HIS A 41 100.856 100.306 -43.953 1.00 0.00 C ATOM 652 C HIS A 41 100.604 99.531 -45.265 1.00 0.00 C ATOM 653 O HIS A 41 100.859 98.337 -45.364 1.00 0.00 O ATOM 654 CB HIS A 41 102.320 100.558 -43.549 1.00 0.00 C ATOM 655 CG HIS A 41 103.347 99.577 -44.074 1.00 0.00 C ATOM 656 ND1 HIS A 41 103.666 99.450 -45.378 1.00 0.00 N ATOM 657 CD2 HIS A 41 104.164 98.711 -43.330 1.00 0.00 C ATOM 658 CE1 HIS A 41 104.652 98.538 -45.425 1.00 0.00 C ATOM 659 NE2 HIS A 41 104.973 98.072 -44.205 1.00 0.00 N ATOM 0 H HIS A 41 100.755 99.223 -42.149 1.00 0.00 H new ATOM 0 HA HIS A 41 100.463 101.300 -44.166 1.00 0.00 H new ATOM 0 HB2 HIS A 41 102.599 101.556 -43.886 1.00 0.00 H new ATOM 0 HB3 HIS A 41 102.377 100.561 -42.461 1.00 0.00 H new ATOM 0 HD2 HIS A 41 104.149 98.580 -42.258 1.00 0.00 H new ATOM 0 HE1 HIS A 41 105.131 98.216 -46.338 1.00 0.00 H new ATOM 0 HE2 HIS A 41 105.685 97.376 -43.984 1.00 0.00 H new ATOM 667 N PRO A 42 100.088 100.282 -46.266 1.00 0.00 N ATOM 668 CA PRO A 42 100.655 100.279 -47.605 1.00 0.00 C ATOM 669 C PRO A 42 102.058 100.889 -47.630 1.00 0.00 C ATOM 670 O PRO A 42 103.042 100.239 -47.964 1.00 0.00 O ATOM 671 CB PRO A 42 99.692 101.105 -48.463 1.00 0.00 C ATOM 672 CG PRO A 42 98.610 101.640 -47.520 1.00 0.00 C ATOM 673 CD PRO A 42 98.892 101.099 -46.119 1.00 0.00 C ATOM 0 HA PRO A 42 100.765 99.261 -47.978 1.00 0.00 H new ATOM 0 HB2 PRO A 42 100.217 101.924 -48.954 1.00 0.00 H new ATOM 0 HB3 PRO A 42 99.251 100.492 -49.249 1.00 0.00 H new ATOM 0 HG2 PRO A 42 98.614 102.730 -47.515 1.00 0.00 H new ATOM 0 HG3 PRO A 42 97.622 101.327 -47.857 1.00 0.00 H new ATOM 0 HD2 PRO A 42 99.052 101.909 -45.408 1.00 0.00 H new ATOM 0 HD3 PRO A 42 98.054 100.509 -45.747 1.00 0.00 H new ATOM 681 N ASP A 43 102.071 102.183 -47.258 1.00 0.00 N ATOM 682 CA ASP A 43 103.110 103.079 -47.749 1.00 0.00 C ATOM 683 C ASP A 43 103.766 103.849 -46.589 1.00 0.00 C ATOM 684 O ASP A 43 104.004 105.048 -46.676 1.00 0.00 O ATOM 685 CB ASP A 43 102.490 104.070 -48.737 1.00 0.00 C ATOM 686 CG ASP A 43 101.409 104.924 -48.062 1.00 0.00 C ATOM 687 OD1 ASP A 43 100.266 104.475 -47.991 1.00 0.00 O ATOM 688 OD2 ASP A 43 101.725 106.026 -47.617 1.00 0.00 O ATOM 0 H ASP A 43 101.388 102.614 -46.635 1.00 0.00 H new ATOM 0 HA ASP A 43 103.879 102.486 -48.244 1.00 0.00 H new ATOM 0 HB2 ASP A 43 103.267 104.717 -49.143 1.00 0.00 H new ATOM 0 HB3 ASP A 43 102.056 103.527 -49.577 1.00 0.00 H new ATOM 693 N LEU A 44 104.041 103.093 -45.506 1.00 0.00 N ATOM 694 CA LEU A 44 105.075 103.502 -44.577 1.00 0.00 C ATOM 695 C LEU A 44 106.391 102.805 -44.943 1.00 0.00 C ATOM 696 O LEU A 44 107.338 103.430 -45.403 1.00 0.00 O ATOM 697 CB LEU A 44 104.637 103.139 -43.158 1.00 0.00 C ATOM 698 CG LEU A 44 103.600 104.110 -42.577 1.00 0.00 C ATOM 699 CD1 LEU A 44 102.427 104.400 -43.514 1.00 0.00 C ATOM 700 CD2 LEU A 44 103.084 103.620 -41.222 1.00 0.00 C ATOM 0 H LEU A 44 103.567 102.221 -45.270 1.00 0.00 H new ATOM 0 HA LEU A 44 105.232 104.579 -44.630 1.00 0.00 H new ATOM 0 HB2 LEU A 44 104.221 102.132 -43.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 105.512 103.121 -42.508 1.00 0.00 H new ATOM 0 HG LEU A 44 104.130 105.053 -42.446 1.00 0.00 H new ATOM 0 HD11 LEU A 44 101.739 105.094 -43.031 1.00 0.00 H new ATOM 0 HD12 LEU A 44 102.800 104.843 -44.438 1.00 0.00 H new ATOM 0 HD13 LEU A 44 101.905 103.471 -43.742 1.00 0.00 H new ATOM 0 HD21 LEU A 44 102.351 104.327 -40.834 1.00 0.00 H new ATOM 0 HD22 LEU A 44 102.617 102.643 -41.342 1.00 0.00 H new ATOM 0 HD23 LEU A 44 103.916 103.540 -40.523 1.00 0.00 H new ATOM 712 N GLY A 45 106.388 101.472 -44.714 1.00 0.00 N ATOM 713 CA GLY A 45 107.524 100.663 -45.126 1.00 0.00 C ATOM 714 C GLY A 45 107.914 99.679 -44.018 1.00 0.00 C ATOM 715 O GLY A 45 107.954 100.019 -42.846 1.00 0.00 O ATOM 0 H GLY A 45 105.631 100.960 -44.260 1.00 0.00 H new ATOM 0 HA2 GLY A 45 107.277 100.116 -46.036 1.00 0.00 H new ATOM 0 HA3 GLY A 45 108.370 101.308 -45.362 1.00 0.00 H new ATOM 719 N ASN A 46 108.217 98.444 -44.453 1.00 0.00 N ATOM 720 CA ASN A 46 108.568 97.444 -43.451 1.00 0.00 C ATOM 721 C ASN A 46 109.758 97.889 -42.578 1.00 0.00 C ATOM 722 O ASN A 46 109.707 97.844 -41.355 1.00 0.00 O ATOM 723 CB ASN A 46 108.936 96.139 -44.155 1.00 0.00 C ATOM 724 CG ASN A 46 108.682 94.953 -43.222 1.00 0.00 C ATOM 725 OD1 ASN A 46 109.418 95.007 -42.098 1.00 0.00 O flip ATOM 726 ND2 ASN A 46 107.884 94.066 -43.502 1.00 0.00 N flip ATOM 0 H ASN A 46 108.226 98.134 -45.425 1.00 0.00 H new ATOM 0 HA ASN A 46 107.704 97.310 -42.800 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.347 96.029 -45.066 1.00 0.00 H new ATOM 0 HB3 ASN A 46 109.984 96.160 -44.453 1.00 0.00 H new ATOM 0 HD21 ASN A 46 107.366 94.105 -44.380 1.00 0.00 H new ATOM 0 HD22 ASN A 46 107.738 93.289 -42.857 1.00 0.00 H new ATOM 733 N ALA A 47 110.821 98.317 -43.284 1.00 0.00 N ATOM 734 CA ALA A 47 112.036 98.677 -42.572 1.00 0.00 C ATOM 735 C ALA A 47 111.836 99.933 -41.704 1.00 0.00 C ATOM 736 O ALA A 47 112.226 99.971 -40.543 1.00 0.00 O ATOM 737 CB ALA A 47 113.164 98.908 -43.578 1.00 0.00 C ATOM 0 H ALA A 47 110.856 98.415 -44.299 1.00 0.00 H new ATOM 0 HA ALA A 47 112.297 97.855 -41.905 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.076 99.178 -43.046 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.334 97.996 -44.150 1.00 0.00 H new ATOM 0 HB3 ALA A 47 112.887 99.715 -44.256 1.00 0.00 H new ATOM 743 N VAL A 48 111.202 100.949 -42.325 1.00 0.00 N ATOM 744 CA VAL A 48 111.026 102.180 -41.565 1.00 0.00 C ATOM 745 C VAL A 48 110.108 101.960 -40.350 1.00 0.00 C ATOM 746 O VAL A 48 110.385 102.442 -39.262 1.00 0.00 O ATOM 747 CB VAL A 48 110.478 103.306 -42.448 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.338 103.499 -43.696 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.016 103.077 -42.825 1.00 0.00 C ATOM 0 H VAL A 48 110.833 100.941 -43.276 1.00 0.00 H new ATOM 0 HA VAL A 48 112.009 102.478 -41.202 1.00 0.00 H new ATOM 0 HB VAL A 48 110.523 104.222 -41.859 1.00 0.00 H new ATOM 0 HG11 VAL A 48 110.924 104.305 -44.302 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.356 103.754 -43.401 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.349 102.577 -44.277 1.00 0.00 H new ATOM 0 HG21 VAL A 48 108.669 103.899 -43.451 1.00 0.00 H new ATOM 0 HG22 VAL A 48 108.924 102.139 -43.373 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.410 103.029 -41.920 1.00 0.00 H new ATOM 759 N VAL A 49 109.013 101.215 -40.599 1.00 0.00 N ATOM 760 CA VAL A 49 107.991 101.063 -39.574 1.00 0.00 C ATOM 761 C VAL A 49 108.553 100.439 -38.282 1.00 0.00 C ATOM 762 O VAL A 49 108.222 100.863 -37.181 1.00 0.00 O ATOM 763 CB VAL A 49 106.844 100.224 -40.145 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.844 99.804 -39.066 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.127 101.007 -41.237 1.00 0.00 C ATOM 0 H VAL A 49 108.826 100.728 -41.475 1.00 0.00 H new ATOM 0 HA VAL A 49 107.621 102.050 -39.296 1.00 0.00 H new ATOM 0 HB VAL A 49 107.277 99.315 -40.562 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.049 99.211 -39.518 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.354 99.209 -38.309 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.415 100.692 -38.602 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.312 100.406 -41.640 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.725 101.930 -40.819 1.00 0.00 H new ATOM 0 HG23 VAL A 49 106.830 101.246 -42.035 1.00 0.00 H new ATOM 775 N ASN A 50 109.409 99.415 -38.474 1.00 0.00 N ATOM 776 CA ASN A 50 110.146 98.882 -37.335 1.00 0.00 C ATOM 777 C ASN A 50 110.914 99.986 -36.577 1.00 0.00 C ATOM 778 O ASN A 50 110.863 100.072 -35.356 1.00 0.00 O ATOM 779 CB ASN A 50 111.133 97.817 -37.824 1.00 0.00 C ATOM 780 CG ASN A 50 111.266 96.706 -36.780 1.00 0.00 C ATOM 781 OD1 ASN A 50 112.157 96.711 -35.939 1.00 0.00 O ATOM 782 ND2 ASN A 50 110.317 95.759 -36.895 1.00 0.00 N ATOM 0 H ASN A 50 109.595 98.964 -39.370 1.00 0.00 H new ATOM 0 HA ASN A 50 109.425 98.445 -36.644 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.790 97.399 -38.770 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.107 98.270 -38.010 1.00 0.00 H new ATOM 0 HD21 ASN A 50 110.305 94.968 -36.251 1.00 0.00 H new ATOM 0 HD22 ASN A 50 109.610 95.832 -37.626 1.00 0.00 H new ATOM 789 N SER A 51 111.619 100.815 -37.372 1.00 0.00 N ATOM 790 CA SER A 51 112.349 101.909 -36.748 1.00 0.00 C ATOM 791 C SER A 51 111.415 102.910 -36.032 1.00 0.00 C ATOM 792 O SER A 51 111.706 103.357 -34.932 1.00 0.00 O ATOM 793 CB SER A 51 113.184 102.634 -37.814 1.00 0.00 C ATOM 794 OG SER A 51 113.676 103.911 -37.428 1.00 0.00 O ATOM 0 H SER A 51 111.692 100.749 -38.387 1.00 0.00 H new ATOM 0 HA SER A 51 113.000 101.483 -35.985 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.030 102.002 -38.083 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.576 102.752 -38.711 1.00 0.00 H new ATOM 0 HG SER A 51 114.195 104.298 -38.164 1.00 0.00 H new ATOM 800 N ASN A 52 110.300 103.242 -36.713 1.00 0.00 N ATOM 801 CA ASN A 52 109.458 104.350 -36.285 1.00 0.00 C ATOM 802 C ASN A 52 108.722 104.086 -34.952 1.00 0.00 C ATOM 803 O ASN A 52 108.541 104.975 -34.132 1.00 0.00 O ATOM 804 CB ASN A 52 108.412 104.602 -37.368 1.00 0.00 C ATOM 805 CG ASN A 52 109.073 105.009 -38.693 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.543 104.390 -39.763 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 109.996 105.811 -38.733 1.00 0.00 N flip ATOM 0 H ASN A 52 109.974 102.759 -37.550 1.00 0.00 H new ATOM 0 HA ASN A 52 110.111 105.208 -36.127 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.815 103.702 -37.517 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.729 105.387 -37.043 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.340 106.237 -37.872 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.422 106.054 -39.627 1.00 0.00 H new ATOM 814 N ILE A 53 108.269 102.832 -34.805 1.00 0.00 N ATOM 815 CA ILE A 53 107.663 102.449 -33.544 1.00 0.00 C ATOM 816 C ILE A 53 108.706 102.420 -32.410 1.00 0.00 C ATOM 817 O ILE A 53 108.496 102.968 -31.336 1.00 0.00 O ATOM 818 CB ILE A 53 107.012 101.074 -33.690 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.033 101.006 -34.868 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.285 100.683 -32.407 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.784 99.562 -35.290 1.00 0.00 C ATOM 0 H ILE A 53 108.311 102.102 -35.516 1.00 0.00 H new ATOM 0 HA ILE A 53 106.906 103.190 -33.285 1.00 0.00 H new ATOM 0 HB ILE A 53 107.821 100.371 -33.887 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.089 101.475 -34.589 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.432 101.571 -35.710 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.829 99.701 -32.532 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.996 100.650 -31.581 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.510 101.418 -32.189 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.086 99.543 -36.127 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.726 99.104 -35.592 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.362 99.006 -34.453 1.00 0.00 H new ATOM 833 N GLY A 54 109.829 101.741 -32.706 1.00 0.00 N ATOM 834 CA GLY A 54 110.892 101.674 -31.719 1.00 0.00 C ATOM 835 C GLY A 54 111.430 103.051 -31.299 1.00 0.00 C ATOM 836 O GLY A 54 111.700 103.297 -30.132 1.00 0.00 O ATOM 0 H GLY A 54 110.010 101.254 -33.584 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.524 101.152 -30.836 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.713 101.080 -32.121 1.00 0.00 H new ATOM 840 N VAL A 55 111.593 103.921 -32.307 1.00 0.00 N ATOM 841 CA VAL A 55 112.171 105.225 -32.019 1.00 0.00 C ATOM 842 C VAL A 55 111.235 106.113 -31.162 1.00 0.00 C ATOM 843 O VAL A 55 111.689 106.871 -30.314 1.00 0.00 O ATOM 844 CB VAL A 55 112.553 105.903 -33.334 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.316 106.402 -34.058 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.558 107.031 -33.115 1.00 0.00 C ATOM 0 H VAL A 55 111.344 103.751 -33.281 1.00 0.00 H new ATOM 0 HA VAL A 55 113.068 105.081 -31.416 1.00 0.00 H new ATOM 0 HB VAL A 55 113.039 105.158 -33.964 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.610 106.882 -34.992 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.657 105.561 -34.273 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.792 107.122 -33.429 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.805 107.489 -34.073 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.124 107.782 -32.455 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.463 106.629 -32.661 1.00 0.00 H new ATOM 856 N LEU A 56 109.915 105.983 -31.423 1.00 0.00 N ATOM 857 CA LEU A 56 108.940 106.454 -30.444 1.00 0.00 C ATOM 858 C LEU A 56 109.186 105.816 -29.056 1.00 0.00 C ATOM 859 O LEU A 56 109.225 106.499 -28.042 1.00 0.00 O ATOM 860 CB LEU A 56 107.554 106.035 -30.948 1.00 0.00 C ATOM 861 CG LEU A 56 106.934 106.991 -31.973 1.00 0.00 C ATOM 862 CD1 LEU A 56 107.964 107.764 -32.793 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.030 106.212 -32.919 1.00 0.00 C ATOM 0 H LEU A 56 109.522 105.572 -32.270 1.00 0.00 H new ATOM 0 HA LEU A 56 109.023 107.535 -30.334 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.628 105.043 -31.394 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.881 105.951 -30.095 1.00 0.00 H new ATOM 0 HG LEU A 56 106.367 107.726 -31.401 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.451 108.420 -33.497 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.585 108.362 -32.126 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.592 107.063 -33.342 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.591 106.894 -33.647 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.615 105.454 -33.440 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.236 105.729 -32.349 1.00 0.00 H new ATOM 875 N ILE A 57 109.372 104.482 -29.069 1.00 0.00 N ATOM 876 CA ILE A 57 109.507 103.798 -27.790 1.00 0.00 C ATOM 877 C ILE A 57 110.739 104.286 -26.995 1.00 0.00 C ATOM 878 O ILE A 57 110.676 104.489 -25.788 1.00 0.00 O ATOM 879 CB ILE A 57 109.595 102.288 -28.023 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.366 101.775 -28.788 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.846 101.540 -26.709 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.416 100.900 -27.970 1.00 0.00 C ATOM 0 H ILE A 57 109.428 103.895 -29.901 1.00 0.00 H new ATOM 0 HA ILE A 57 108.625 104.031 -27.193 1.00 0.00 H new ATOM 0 HB ILE A 57 110.457 102.084 -28.658 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.810 102.632 -29.169 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.706 101.206 -29.653 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.904 100.469 -26.905 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.784 101.880 -26.270 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.029 101.738 -26.016 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.580 100.587 -28.596 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.950 100.020 -27.611 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.040 101.468 -27.119 1.00 0.00 H new ATOM 894 N LYS A 58 111.848 104.457 -27.739 1.00 0.00 N ATOM 895 CA LYS A 58 113.117 104.763 -27.094 1.00 0.00 C ATOM 896 C LYS A 58 113.156 106.200 -26.512 1.00 0.00 C ATOM 897 O LYS A 58 113.904 106.486 -25.585 1.00 0.00 O ATOM 898 CB LYS A 58 114.250 104.522 -28.099 1.00 0.00 C ATOM 899 CG LYS A 58 114.456 105.688 -29.062 1.00 0.00 C ATOM 900 CD LYS A 58 115.596 106.604 -28.617 1.00 0.00 C ATOM 901 CE LYS A 58 116.888 106.331 -29.391 1.00 0.00 C ATOM 902 NZ LYS A 58 117.237 107.405 -30.315 1.00 0.00 N ATOM 0 H LYS A 58 111.883 104.389 -28.756 1.00 0.00 H new ATOM 0 HA LYS A 58 113.244 104.101 -26.238 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.177 104.340 -27.555 1.00 0.00 H new ATOM 0 HB3 LYS A 58 114.034 103.620 -28.671 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.669 105.302 -30.059 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.534 106.265 -29.135 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.302 107.644 -28.759 1.00 0.00 H new ATOM 0 HD3 LYS A 58 115.776 106.466 -27.551 1.00 0.00 H new ATOM 0 HE2 LYS A 58 117.705 106.188 -28.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 116.781 105.400 -29.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 118.119 107.164 -30.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 116.473 107.527 -31.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 117.368 108.290 -29.785 1.00 0.00 H new ATOM 916 N LYS A 59 112.314 107.070 -27.107 1.00 0.00 N ATOM 917 CA LYS A 59 112.037 108.367 -26.521 1.00 0.00 C ATOM 918 C LYS A 59 111.117 108.232 -25.291 1.00 0.00 C ATOM 919 O LYS A 59 111.397 108.763 -24.223 1.00 0.00 O ATOM 920 CB LYS A 59 111.349 109.214 -27.590 1.00 0.00 C ATOM 921 CG LYS A 59 112.257 109.486 -28.790 1.00 0.00 C ATOM 922 CD LYS A 59 111.448 109.894 -30.021 1.00 0.00 C ATOM 923 CE LYS A 59 112.344 110.384 -31.159 1.00 0.00 C ATOM 924 NZ LYS A 59 111.680 110.317 -32.455 1.00 0.00 N ATOM 0 H LYS A 59 111.826 106.887 -27.984 1.00 0.00 H new ATOM 0 HA LYS A 59 112.966 108.831 -26.189 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.447 108.705 -27.928 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.035 110.162 -27.153 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.965 110.276 -28.540 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.841 108.594 -29.016 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.858 109.045 -30.365 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.745 110.681 -29.748 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.648 111.412 -30.962 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.253 109.783 -31.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 111.837 111.205 -32.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 112.069 109.524 -33.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 110.659 110.174 -32.315 1.00 0.00 H new ATOM 938 N GLY A 60 110.012 107.492 -25.511 1.00 0.00 N ATOM 939 CA GLY A 60 108.699 108.055 -25.308 1.00 0.00 C ATOM 940 C GLY A 60 108.407 109.046 -26.433 1.00 0.00 C ATOM 941 O GLY A 60 108.852 110.186 -26.420 1.00 0.00 O ATOM 0 H GLY A 60 110.020 106.521 -25.824 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.948 107.265 -25.297 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.649 108.556 -24.341 1.00 0.00 H new ATOM 945 N LEU A 61 107.635 108.519 -27.399 1.00 0.00 N ATOM 946 CA LEU A 61 106.255 108.195 -27.144 1.00 0.00 C ATOM 947 C LEU A 61 105.830 107.189 -28.210 1.00 0.00 C ATOM 948 O LEU A 61 105.452 107.530 -29.323 1.00 0.00 O ATOM 949 CB LEU A 61 105.455 109.483 -27.348 1.00 0.00 C ATOM 950 CG LEU A 61 105.826 110.284 -28.616 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.672 111.175 -29.041 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.083 111.128 -28.428 1.00 0.00 C ATOM 0 H LEU A 61 107.955 108.317 -28.346 1.00 0.00 H new ATOM 0 HA LEU A 61 106.100 107.791 -26.144 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.395 109.232 -27.391 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.596 110.123 -26.477 1.00 0.00 H new ATOM 0 HG LEU A 61 106.033 109.553 -29.397 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.952 111.731 -29.936 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.797 110.561 -29.255 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.437 111.874 -28.238 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.298 111.670 -29.349 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.926 111.839 -27.617 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.924 110.479 -28.184 1.00 0.00 H new ATOM 964 N VAL A 62 105.881 105.922 -27.791 1.00 0.00 N ATOM 965 CA VAL A 62 104.759 105.078 -27.478 1.00 0.00 C ATOM 966 C VAL A 62 105.199 104.127 -26.353 1.00 0.00 C ATOM 967 O VAL A 62 106.367 103.776 -26.245 1.00 0.00 O ATOM 968 CB VAL A 62 104.348 104.331 -28.745 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.444 103.382 -29.220 1.00 0.00 C ATOM 970 CG2 VAL A 62 103.032 103.589 -28.549 1.00 0.00 C ATOM 0 H VAL A 62 106.771 105.442 -27.658 1.00 0.00 H new ATOM 0 HA VAL A 62 103.893 105.644 -27.135 1.00 0.00 H new ATOM 0 HB VAL A 62 104.199 105.078 -29.525 1.00 0.00 H new ATOM 0 HG11 VAL A 62 105.115 102.869 -30.123 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.349 103.950 -29.435 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.652 102.648 -28.441 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.768 103.068 -29.469 1.00 0.00 H new ATOM 0 HG22 VAL A 62 103.139 102.866 -27.740 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.247 104.302 -28.297 1.00 0.00 H new ATOM 980 N GLU A 63 104.213 103.731 -25.529 1.00 0.00 N ATOM 981 CA GLU A 63 104.475 102.678 -24.553 1.00 0.00 C ATOM 982 C GLU A 63 103.821 101.365 -25.014 1.00 0.00 C ATOM 983 O GLU A 63 102.617 101.273 -25.216 1.00 0.00 O ATOM 984 CB GLU A 63 103.931 103.074 -23.182 1.00 0.00 C ATOM 985 CG GLU A 63 104.960 103.856 -22.365 1.00 0.00 C ATOM 986 CD GLU A 63 104.273 104.565 -21.195 1.00 0.00 C ATOM 987 OE1 GLU A 63 103.312 104.016 -20.658 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.708 105.657 -20.834 1.00 0.00 O ATOM 0 H GLU A 63 103.266 104.111 -25.522 1.00 0.00 H new ATOM 0 HA GLU A 63 105.553 102.536 -24.474 1.00 0.00 H new ATOM 0 HB2 GLU A 63 103.033 103.678 -23.308 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.638 102.178 -22.635 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.728 103.180 -21.990 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.461 104.587 -23.000 1.00 0.00 H new ATOM 995 N LYS A 64 104.697 100.355 -25.149 1.00 0.00 N ATOM 996 CA LYS A 64 104.232 99.047 -25.544 1.00 0.00 C ATOM 997 C LYS A 64 103.664 98.308 -24.328 1.00 0.00 C ATOM 998 O LYS A 64 104.364 97.981 -23.378 1.00 0.00 O ATOM 999 CB LYS A 64 105.396 98.276 -26.155 1.00 0.00 C ATOM 1000 CG LYS A 64 105.015 96.832 -26.460 1.00 0.00 C ATOM 1001 CD LYS A 64 105.534 95.861 -25.399 1.00 0.00 C ATOM 1002 CE LYS A 64 106.614 94.933 -25.954 1.00 0.00 C ATOM 1003 NZ LYS A 64 106.122 94.095 -27.041 1.00 0.00 N ATOM 0 H LYS A 64 105.702 100.430 -24.992 1.00 0.00 H new ATOM 0 HA LYS A 64 103.437 99.138 -26.284 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.718 98.769 -27.072 1.00 0.00 H new ATOM 0 HB3 LYS A 64 106.243 98.292 -25.470 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.930 96.750 -26.525 1.00 0.00 H new ATOM 0 HG3 LYS A 64 105.415 96.551 -27.434 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.937 96.425 -24.558 1.00 0.00 H new ATOM 0 HD3 LYS A 64 104.705 95.265 -25.016 1.00 0.00 H new ATOM 0 HE2 LYS A 64 107.454 95.530 -26.310 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.991 94.299 -25.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 106.677 93.216 -27.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 105.121 93.866 -26.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 106.217 94.605 -27.943 1.00 0.00 H new ATOM 1017 N SER A 65 102.342 98.077 -24.440 1.00 0.00 N ATOM 1018 CA SER A 65 101.596 97.463 -23.351 1.00 0.00 C ATOM 1019 C SER A 65 101.120 96.076 -23.792 1.00 0.00 C ATOM 1020 O SER A 65 100.198 95.944 -24.586 1.00 0.00 O ATOM 1021 CB SER A 65 100.351 98.324 -23.068 1.00 0.00 C ATOM 1022 OG SER A 65 99.461 97.828 -22.074 1.00 0.00 O ATOM 0 H SER A 65 101.786 98.306 -25.264 1.00 0.00 H new ATOM 0 HA SER A 65 102.227 97.385 -22.465 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.682 99.318 -22.767 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.796 98.441 -23.999 1.00 0.00 H new ATOM 0 HG SER A 65 98.667 97.449 -22.506 1.00 0.00 H new ATOM 1028 N GLY A 66 101.790 95.054 -23.224 1.00 0.00 N ATOM 1029 CA GLY A 66 102.195 93.947 -24.075 1.00 0.00 C ATOM 1030 C GLY A 66 101.108 92.874 -24.117 1.00 0.00 C ATOM 1031 O GLY A 66 101.013 92.018 -23.247 1.00 0.00 O ATOM 0 H GLY A 66 102.045 94.981 -22.239 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.394 94.310 -25.083 1.00 0.00 H new ATOM 0 HA3 GLY A 66 103.124 93.516 -23.702 1.00 0.00 H new ATOM 1035 N ASP A 67 100.299 92.980 -25.188 1.00 0.00 N ATOM 1036 CA ASP A 67 100.809 92.745 -26.534 1.00 0.00 C ATOM 1037 C ASP A 67 101.169 94.062 -27.254 1.00 0.00 C ATOM 1038 O ASP A 67 102.208 94.169 -27.894 1.00 0.00 O ATOM 1039 CB ASP A 67 99.760 91.984 -27.346 1.00 0.00 C ATOM 1040 CG ASP A 67 99.736 90.517 -26.914 1.00 0.00 C ATOM 1041 OD1 ASP A 67 100.756 89.845 -27.056 1.00 0.00 O ATOM 1042 OD2 ASP A 67 98.695 90.062 -26.440 1.00 0.00 O ATOM 0 H ASP A 67 99.309 93.223 -25.141 1.00 0.00 H new ATOM 0 HA ASP A 67 101.723 92.157 -26.449 1.00 0.00 H new ATOM 0 HB2 ASP A 67 98.777 92.432 -27.199 1.00 0.00 H new ATOM 0 HB3 ASP A 67 99.987 92.056 -28.410 1.00 0.00 H new ATOM 1047 N GLY A 68 100.256 95.046 -27.113 1.00 0.00 N ATOM 1048 CA GLY A 68 100.020 96.012 -28.165 1.00 0.00 C ATOM 1049 C GLY A 68 100.488 97.390 -27.713 1.00 0.00 C ATOM 1050 O GLY A 68 100.673 97.659 -26.532 1.00 0.00 O ATOM 0 H GLY A 68 99.682 95.178 -26.280 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.551 95.716 -29.070 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.959 96.041 -28.413 1.00 0.00 H new ATOM 1054 N LEU A 69 100.663 98.242 -28.739 1.00 0.00 N ATOM 1055 CA LEU A 69 101.403 99.470 -28.533 1.00 0.00 C ATOM 1056 C LEU A 69 100.384 100.567 -28.240 1.00 0.00 C ATOM 1057 O LEU A 69 99.343 100.646 -28.879 1.00 0.00 O ATOM 1058 CB LEU A 69 102.239 99.765 -29.785 1.00 0.00 C ATOM 1059 CG LEU A 69 103.160 98.597 -30.173 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.380 99.105 -30.930 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.621 97.750 -28.983 1.00 0.00 C ATOM 0 H LEU A 69 100.310 98.098 -29.685 1.00 0.00 H new ATOM 0 HA LEU A 69 102.096 99.401 -27.695 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.572 99.988 -30.618 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.842 100.656 -29.612 1.00 0.00 H new ATOM 0 HG LEU A 69 102.558 97.950 -30.811 1.00 0.00 H new ATOM 0 HD11 LEU A 69 105.020 98.263 -31.196 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.058 99.617 -31.837 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.936 99.799 -30.300 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.267 96.946 -29.337 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.172 98.377 -28.282 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.752 97.323 -28.482 1.00 0.00 H new ATOM 1073 N ILE A 70 100.721 101.390 -27.228 1.00 0.00 N ATOM 1074 CA ILE A 70 99.808 102.477 -26.928 1.00 0.00 C ATOM 1075 C ILE A 70 100.565 103.622 -26.271 1.00 0.00 C ATOM 1076 O ILE A 70 101.540 103.431 -25.559 1.00 0.00 O ATOM 1077 CB ILE A 70 98.730 102.009 -25.958 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.321 101.414 -24.686 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.808 100.993 -26.611 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.309 101.480 -23.545 1.00 0.00 C ATOM 0 H ILE A 70 101.558 101.324 -26.649 1.00 0.00 H new ATOM 0 HA ILE A 70 99.353 102.807 -27.862 1.00 0.00 H new ATOM 0 HB ILE A 70 98.155 102.894 -25.686 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.612 100.378 -24.863 1.00 0.00 H new ATOM 0 HG13 ILE A 70 100.225 101.956 -24.410 1.00 0.00 H new ATOM 0 HG21 ILE A 70 97.049 100.677 -25.895 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.324 101.445 -27.477 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.388 100.127 -26.930 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.748 101.051 -22.644 1.00 0.00 H new ATOM 0 HD12 ILE A 70 98.039 102.519 -23.357 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.416 100.917 -23.817 1.00 0.00 H new ATOM 1092 N ILE A 71 100.040 104.826 -26.541 1.00 0.00 N ATOM 1093 CA ILE A 71 100.939 105.963 -26.559 1.00 0.00 C ATOM 1094 C ILE A 71 100.915 106.679 -25.210 1.00 0.00 C ATOM 1095 O ILE A 71 99.922 106.676 -24.493 1.00 0.00 O ATOM 1096 CB ILE A 71 100.530 106.920 -27.668 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.086 107.388 -27.462 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.775 106.271 -29.032 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.617 108.415 -28.492 1.00 0.00 C ATOM 0 H ILE A 71 99.058 105.022 -26.737 1.00 0.00 H new ATOM 0 HA ILE A 71 101.954 105.611 -26.746 1.00 0.00 H new ATOM 0 HB ILE A 71 101.147 107.818 -27.635 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.425 106.522 -27.499 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.992 107.818 -26.465 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.480 106.962 -29.822 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.833 106.031 -29.136 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.187 105.357 -29.111 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.586 108.698 -28.280 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.253 109.298 -28.441 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.677 107.982 -29.491 1.00 0.00 H new ATOM 1111 N THR A 72 102.080 107.288 -24.920 1.00 0.00 N ATOM 1112 CA THR A 72 102.204 107.995 -23.661 1.00 0.00 C ATOM 1113 C THR A 72 101.531 109.366 -23.800 1.00 0.00 C ATOM 1114 O THR A 72 101.252 109.841 -24.893 1.00 0.00 O ATOM 1115 CB THR A 72 103.681 108.122 -23.237 1.00 0.00 C ATOM 1116 OG1 THR A 72 104.236 109.306 -23.811 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.485 106.832 -23.535 1.00 0.00 C ATOM 0 H THR A 72 102.906 107.299 -25.518 1.00 0.00 H new ATOM 0 HA THR A 72 101.705 107.432 -22.872 1.00 0.00 H new ATOM 0 HB THR A 72 103.744 108.229 -22.154 1.00 0.00 H new ATOM 0 HG1 THR A 72 105.175 109.391 -23.542 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.520 106.967 -23.220 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.046 105.996 -22.991 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.456 106.624 -24.605 1.00 0.00 H new ATOM 1125 N GLY A 73 101.293 109.967 -22.620 1.00 0.00 N ATOM 1126 CA GLY A 73 100.617 111.259 -22.634 1.00 0.00 C ATOM 1127 C GLY A 73 101.287 112.304 -23.554 1.00 0.00 C ATOM 1128 O GLY A 73 100.632 113.219 -24.036 1.00 0.00 O ATOM 0 H GLY A 73 101.544 109.601 -21.702 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.585 111.115 -22.954 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.583 111.652 -21.618 1.00 0.00 H new ATOM 1132 N GLU A 74 102.611 112.131 -23.779 1.00 0.00 N ATOM 1133 CA GLU A 74 103.277 113.033 -24.709 1.00 0.00 C ATOM 1134 C GLU A 74 102.605 113.004 -26.092 1.00 0.00 C ATOM 1135 O GLU A 74 102.240 114.037 -26.638 1.00 0.00 O ATOM 1136 CB GLU A 74 104.749 112.650 -24.873 1.00 0.00 C ATOM 1137 CG GLU A 74 105.633 112.825 -23.625 1.00 0.00 C ATOM 1138 CD GLU A 74 104.894 113.342 -22.382 1.00 0.00 C ATOM 1139 OE1 GLU A 74 104.603 114.536 -22.328 1.00 0.00 O ATOM 1140 OE2 GLU A 74 104.622 112.544 -21.487 1.00 0.00 O ATOM 0 H GLU A 74 103.199 111.415 -23.351 1.00 0.00 H new ATOM 0 HA GLU A 74 103.200 114.037 -24.293 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.800 111.608 -25.187 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.172 113.248 -25.681 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.093 111.866 -23.385 1.00 0.00 H new ATOM 0 HG3 GLU A 74 106.442 113.516 -23.863 1.00 0.00 H new ATOM 1147 N ALA A 75 102.441 111.764 -26.607 1.00 0.00 N ATOM 1148 CA ALA A 75 101.759 111.617 -27.885 1.00 0.00 C ATOM 1149 C ALA A 75 100.349 112.225 -27.839 1.00 0.00 C ATOM 1150 O ALA A 75 99.975 112.999 -28.706 1.00 0.00 O ATOM 1151 CB ALA A 75 101.643 110.132 -28.242 1.00 0.00 C ATOM 0 H ALA A 75 102.759 110.898 -26.173 1.00 0.00 H new ATOM 0 HA ALA A 75 102.345 112.144 -28.638 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.132 110.027 -29.199 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.639 109.696 -28.313 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.075 109.615 -27.469 1.00 0.00 H new ATOM 1157 N GLN A 76 99.610 111.867 -26.776 1.00 0.00 N ATOM 1158 CA GLN A 76 98.219 112.301 -26.712 1.00 0.00 C ATOM 1159 C GLN A 76 98.058 113.838 -26.862 1.00 0.00 C ATOM 1160 O GLN A 76 97.102 114.315 -27.460 1.00 0.00 O ATOM 1161 CB GLN A 76 97.611 111.813 -25.399 1.00 0.00 C ATOM 1162 CG GLN A 76 96.875 110.494 -25.614 1.00 0.00 C ATOM 1163 CD GLN A 76 95.629 110.724 -26.470 1.00 0.00 C ATOM 1164 OE1 GLN A 76 95.174 111.845 -26.664 1.00 0.00 O ATOM 1165 NE2 GLN A 76 95.115 109.585 -26.966 1.00 0.00 N ATOM 0 H GLN A 76 99.937 111.306 -25.989 1.00 0.00 H new ATOM 0 HA GLN A 76 97.688 111.863 -27.557 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.395 111.682 -24.654 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.922 112.562 -25.009 1.00 0.00 H new ATOM 0 HG2 GLN A 76 97.534 109.776 -26.102 1.00 0.00 H new ATOM 0 HG3 GLN A 76 96.592 110.065 -24.653 1.00 0.00 H new ATOM 0 HE21 GLN A 76 95.558 108.691 -26.754 1.00 0.00 H new ATOM 0 HE22 GLN A 76 94.282 109.615 -27.554 1.00 0.00 H new ATOM 1174 N ASP A 77 99.037 114.570 -26.295 1.00 0.00 N ATOM 1175 CA ASP A 77 99.080 116.009 -26.491 1.00 0.00 C ATOM 1176 C ASP A 77 99.388 116.370 -27.957 1.00 0.00 C ATOM 1177 O ASP A 77 98.774 117.258 -28.537 1.00 0.00 O ATOM 1178 CB ASP A 77 100.149 116.611 -25.580 1.00 0.00 C ATOM 1179 CG ASP A 77 99.831 118.081 -25.301 1.00 0.00 C ATOM 1180 OD1 ASP A 77 99.406 118.775 -26.223 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.013 118.515 -24.164 1.00 0.00 O ATOM 0 H ASP A 77 99.785 114.190 -25.715 1.00 0.00 H new ATOM 0 HA ASP A 77 98.100 116.417 -26.243 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.195 116.056 -24.643 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.129 116.525 -26.049 1.00 0.00 H new ATOM 1186 N ILE A 78 100.371 115.632 -28.514 1.00 0.00 N ATOM 1187 CA ILE A 78 100.803 115.912 -29.867 1.00 0.00 C ATOM 1188 C ILE A 78 99.655 115.686 -30.870 1.00 0.00 C ATOM 1189 O ILE A 78 99.409 116.507 -31.742 1.00 0.00 O ATOM 1190 CB ILE A 78 101.964 114.967 -30.206 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.193 115.120 -29.294 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.363 115.069 -31.681 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.240 116.401 -28.454 1.00 0.00 C ATOM 0 H ILE A 78 100.858 114.864 -28.051 1.00 0.00 H new ATOM 0 HA ILE A 78 101.116 116.954 -29.936 1.00 0.00 H new ATOM 0 HB ILE A 78 101.576 113.966 -30.015 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.232 114.264 -28.621 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.089 115.080 -29.913 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.188 114.386 -31.883 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.511 114.805 -32.307 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.675 116.089 -31.904 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.147 116.406 -27.849 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.239 117.269 -29.114 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.368 116.440 -27.801 1.00 0.00 H new ATOM 1205 N ILE A 79 98.986 114.529 -30.704 1.00 0.00 N ATOM 1206 CA ILE A 79 98.012 114.119 -31.694 1.00 0.00 C ATOM 1207 C ILE A 79 96.784 115.044 -31.702 1.00 0.00 C ATOM 1208 O ILE A 79 96.320 115.469 -32.753 1.00 0.00 O ATOM 1209 CB ILE A 79 97.529 112.709 -31.347 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.662 111.697 -31.149 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.521 112.216 -32.379 1.00 0.00 C ATOM 1212 CD1 ILE A 79 99.909 111.999 -31.978 1.00 0.00 C ATOM 0 H ILE A 79 99.106 113.891 -29.917 1.00 0.00 H new ATOM 0 HA ILE A 79 98.490 114.159 -32.673 1.00 0.00 H new ATOM 0 HB ILE A 79 97.036 112.787 -30.378 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.935 111.673 -30.094 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.298 110.702 -31.407 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.190 111.212 -32.114 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.663 112.887 -32.399 1.00 0.00 H new ATOM 0 HG23 ILE A 79 96.989 112.196 -33.363 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.667 111.240 -31.785 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.652 111.994 -33.037 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.299 112.979 -31.704 1.00 0.00 H new ATOM 1224 N SER A 80 96.285 115.324 -30.482 1.00 0.00 N ATOM 1225 CA SER A 80 95.104 116.172 -30.415 1.00 0.00 C ATOM 1226 C SER A 80 95.369 117.569 -31.008 1.00 0.00 C ATOM 1227 O SER A 80 94.591 118.079 -31.807 1.00 0.00 O ATOM 1228 CB SER A 80 94.681 116.289 -28.944 1.00 0.00 C ATOM 1229 OG SER A 80 94.728 115.077 -28.199 1.00 0.00 O ATOM 0 H SER A 80 96.658 114.996 -29.591 1.00 0.00 H new ATOM 0 HA SER A 80 94.308 115.722 -31.008 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.324 117.022 -28.456 1.00 0.00 H new ATOM 0 HB3 SER A 80 93.665 116.681 -28.905 1.00 0.00 H new ATOM 0 HG SER A 80 95.603 114.992 -27.767 1.00 0.00 H new ATOM 1235 N ASN A 81 96.509 118.145 -30.581 1.00 0.00 N ATOM 1236 CA ASN A 81 96.854 119.448 -31.128 1.00 0.00 C ATOM 1237 C ASN A 81 97.123 119.371 -32.643 1.00 0.00 C ATOM 1238 O ASN A 81 96.652 120.197 -33.414 1.00 0.00 O ATOM 1239 CB ASN A 81 98.089 120.004 -30.413 1.00 0.00 C ATOM 1240 CG ASN A 81 97.999 121.529 -30.335 1.00 0.00 C ATOM 1241 OD1 ASN A 81 97.583 122.104 -29.336 1.00 0.00 O ATOM 1242 ND2 ASN A 81 98.421 122.138 -31.459 1.00 0.00 N ATOM 0 H ASN A 81 97.162 117.752 -29.903 1.00 0.00 H new ATOM 0 HA ASN A 81 96.005 120.113 -30.968 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.160 119.583 -29.410 1.00 0.00 H new ATOM 0 HB3 ASN A 81 98.993 119.711 -30.947 1.00 0.00 H new ATOM 0 HD21 ASN A 81 98.409 123.156 -31.523 1.00 0.00 H new ATOM 0 HD22 ASN A 81 98.753 121.581 -32.247 1.00 0.00 H new ATOM 1249 N ALA A 82 97.900 118.338 -33.021 1.00 0.00 N ATOM 1250 CA ALA A 82 98.371 118.290 -34.392 1.00 0.00 C ATOM 1251 C ALA A 82 97.213 118.091 -35.382 1.00 0.00 C ATOM 1252 O ALA A 82 97.120 118.785 -36.383 1.00 0.00 O ATOM 1253 CB ALA A 82 99.377 117.160 -34.562 1.00 0.00 C ATOM 0 H ALA A 82 98.196 117.568 -32.421 1.00 0.00 H new ATOM 0 HA ALA A 82 98.847 119.246 -34.608 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.724 117.134 -35.595 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.226 117.326 -33.899 1.00 0.00 H new ATOM 0 HB3 ALA A 82 98.903 116.210 -34.314 1.00 0.00 H new ATOM 1259 N ALA A 83 96.343 117.111 -35.060 1.00 0.00 N ATOM 1260 CA ALA A 83 95.191 116.905 -35.928 1.00 0.00 C ATOM 1261 C ALA A 83 94.365 118.196 -36.118 1.00 0.00 C ATOM 1262 O ALA A 83 93.875 118.479 -37.203 1.00 0.00 O ATOM 1263 CB ALA A 83 94.299 115.788 -35.390 1.00 0.00 C ATOM 0 H ALA A 83 96.415 116.490 -34.254 1.00 0.00 H new ATOM 0 HA ALA A 83 95.579 116.614 -36.904 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.446 115.652 -36.054 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.869 114.861 -35.337 1.00 0.00 H new ATOM 0 HB3 ALA A 83 93.945 116.053 -34.394 1.00 0.00 H new ATOM 1269 N THR A 84 94.241 118.958 -35.012 1.00 0.00 N ATOM 1270 CA THR A 84 93.599 120.256 -35.151 1.00 0.00 C ATOM 1271 C THR A 84 94.378 121.189 -36.111 1.00 0.00 C ATOM 1272 O THR A 84 93.781 121.906 -36.906 1.00 0.00 O ATOM 1273 CB THR A 84 93.491 120.905 -33.763 1.00 0.00 C ATOM 1274 OG1 THR A 84 92.818 120.074 -32.836 1.00 0.00 O ATOM 1275 CG2 THR A 84 92.917 122.329 -33.837 1.00 0.00 C ATOM 0 H THR A 84 94.558 118.709 -34.075 1.00 0.00 H new ATOM 0 HA THR A 84 92.609 120.106 -35.581 1.00 0.00 H new ATOM 0 HB THR A 84 94.504 121.013 -33.377 1.00 0.00 H new ATOM 0 HG1 THR A 84 93.438 119.396 -32.495 1.00 0.00 H new ATOM 0 HG21 THR A 84 92.858 122.750 -32.833 1.00 0.00 H new ATOM 0 HG22 THR A 84 93.565 122.951 -34.454 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.920 122.297 -34.276 1.00 0.00 H new ATOM 1283 N LEU A 85 95.722 121.153 -36.012 1.00 0.00 N ATOM 1284 CA LEU A 85 96.515 121.924 -36.956 1.00 0.00 C ATOM 1285 C LEU A 85 96.294 121.489 -38.425 1.00 0.00 C ATOM 1286 O LEU A 85 96.212 122.311 -39.329 1.00 0.00 O ATOM 1287 CB LEU A 85 97.986 121.788 -36.576 1.00 0.00 C ATOM 1288 CG LEU A 85 98.290 122.394 -35.209 1.00 0.00 C ATOM 1289 CD1 LEU A 85 99.696 122.015 -34.742 1.00 0.00 C ATOM 1290 CD2 LEU A 85 98.124 123.911 -35.258 1.00 0.00 C ATOM 0 H LEU A 85 96.250 120.622 -35.319 1.00 0.00 H new ATOM 0 HA LEU A 85 96.196 122.965 -36.897 1.00 0.00 H new ATOM 0 HB2 LEU A 85 98.262 120.734 -36.573 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.601 122.276 -37.332 1.00 0.00 H new ATOM 0 HG LEU A 85 97.581 121.990 -34.487 1.00 0.00 H new ATOM 0 HD11 LEU A 85 99.887 122.460 -33.765 1.00 0.00 H new ATOM 0 HD12 LEU A 85 99.775 120.930 -34.669 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.429 122.384 -35.459 1.00 0.00 H new ATOM 0 HD21 LEU A 85 98.343 124.333 -34.277 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.811 124.329 -35.994 1.00 0.00 H new ATOM 0 HD23 LEU A 85 97.099 124.156 -35.537 1.00 0.00 H new ATOM 1302 N TYR A 86 96.217 120.159 -38.603 1.00 0.00 N ATOM 1303 CA TYR A 86 95.659 119.567 -39.809 1.00 0.00 C ATOM 1304 C TYR A 86 94.264 120.138 -40.131 1.00 0.00 C ATOM 1305 O TYR A 86 93.962 120.383 -41.287 1.00 0.00 O ATOM 1306 CB TYR A 86 95.763 118.032 -39.651 1.00 0.00 C ATOM 1307 CG TYR A 86 94.761 117.167 -40.382 1.00 0.00 C ATOM 1308 CD1 TYR A 86 93.401 117.162 -39.975 1.00 0.00 C ATOM 1309 CD2 TYR A 86 95.166 116.300 -41.430 1.00 0.00 C ATOM 1310 CE1 TYR A 86 92.475 116.264 -40.559 1.00 0.00 C ATOM 1311 CE2 TYR A 86 94.243 115.401 -42.018 1.00 0.00 C ATOM 1312 CZ TYR A 86 92.896 115.383 -41.583 1.00 0.00 C ATOM 1313 OH TYR A 86 91.996 114.509 -42.158 1.00 0.00 O ATOM 0 H TYR A 86 96.539 119.478 -37.916 1.00 0.00 H new ATOM 0 HA TYR A 86 96.222 119.833 -40.704 1.00 0.00 H new ATOM 0 HB2 TYR A 86 96.760 117.731 -39.974 1.00 0.00 H new ATOM 0 HB3 TYR A 86 95.689 117.801 -38.588 1.00 0.00 H new ATOM 0 HD1 TYR A 86 93.069 117.850 -39.212 1.00 0.00 H new ATOM 0 HD2 TYR A 86 96.187 116.326 -41.782 1.00 0.00 H new ATOM 0 HE1 TYR A 86 91.449 116.252 -40.223 1.00 0.00 H new ATOM 0 HE2 TYR A 86 94.567 114.729 -42.799 1.00 0.00 H new ATOM 0 HH TYR A 86 92.450 113.977 -42.845 1.00 0.00 H new ATOM 1323 N ALA A 87 93.434 120.348 -39.096 1.00 0.00 N ATOM 1324 CA ALA A 87 92.136 120.936 -39.403 1.00 0.00 C ATOM 1325 C ALA A 87 92.256 122.276 -40.159 1.00 0.00 C ATOM 1326 O ALA A 87 91.568 122.502 -41.146 1.00 0.00 O ATOM 1327 CB ALA A 87 91.362 121.151 -38.104 1.00 0.00 C ATOM 0 H ALA A 87 93.622 120.137 -38.116 1.00 0.00 H new ATOM 0 HA ALA A 87 91.608 120.242 -40.057 1.00 0.00 H new ATOM 0 HB1 ALA A 87 90.390 121.591 -38.328 1.00 0.00 H new ATOM 0 HB2 ALA A 87 91.220 120.194 -37.602 1.00 0.00 H new ATOM 0 HB3 ALA A 87 91.923 121.822 -37.453 1.00 0.00 H new ATOM 1333 N GLN A 88 93.157 123.142 -39.655 1.00 0.00 N ATOM 1334 CA GLN A 88 93.015 124.537 -40.056 1.00 0.00 C ATOM 1335 C GLN A 88 93.180 124.730 -41.576 1.00 0.00 C ATOM 1336 O GLN A 88 92.426 125.468 -42.200 1.00 0.00 O ATOM 1337 CB GLN A 88 93.952 125.462 -39.280 1.00 0.00 C ATOM 1338 CG GLN A 88 95.363 124.905 -39.174 1.00 0.00 C ATOM 1339 CD GLN A 88 96.363 126.032 -38.907 1.00 0.00 C ATOM 1340 OE1 GLN A 88 96.002 127.194 -38.756 1.00 0.00 O ATOM 1341 NE2 GLN A 88 97.637 125.607 -38.861 1.00 0.00 N ATOM 0 H GLN A 88 93.926 122.920 -39.023 1.00 0.00 H new ATOM 0 HA GLN A 88 91.993 124.819 -39.802 1.00 0.00 H new ATOM 0 HB2 GLN A 88 93.985 126.435 -39.770 1.00 0.00 H new ATOM 0 HB3 GLN A 88 93.552 125.623 -38.279 1.00 0.00 H new ATOM 0 HG2 GLN A 88 95.411 124.170 -38.371 1.00 0.00 H new ATOM 0 HG3 GLN A 88 95.627 124.387 -40.096 1.00 0.00 H new ATOM 0 HE21 GLN A 88 97.850 124.619 -38.998 1.00 0.00 H new ATOM 0 HE22 GLN A 88 98.391 126.272 -38.689 1.00 0.00 H new ATOM 1350 N GLU A 89 94.194 124.039 -42.137 1.00 0.00 N ATOM 1351 CA GLU A 89 94.154 123.816 -43.568 1.00 0.00 C ATOM 1352 C GLU A 89 93.028 122.830 -43.890 1.00 0.00 C ATOM 1353 O GLU A 89 91.982 123.202 -44.407 1.00 0.00 O ATOM 1354 CB GLU A 89 95.510 123.304 -44.065 1.00 0.00 C ATOM 1355 CG GLU A 89 96.399 124.445 -44.554 1.00 0.00 C ATOM 1356 CD GLU A 89 96.189 124.684 -46.052 1.00 0.00 C ATOM 1357 OE1 GLU A 89 96.201 123.713 -46.808 1.00 0.00 O ATOM 1358 OE2 GLU A 89 96.017 125.837 -46.444 1.00 0.00 O ATOM 0 H GLU A 89 94.999 123.652 -41.644 1.00 0.00 H new ATOM 0 HA GLU A 89 93.952 124.755 -44.084 1.00 0.00 H new ATOM 0 HB2 GLU A 89 96.014 122.769 -43.260 1.00 0.00 H new ATOM 0 HB3 GLU A 89 95.355 122.590 -44.874 1.00 0.00 H new ATOM 0 HG2 GLU A 89 96.171 125.355 -43.999 1.00 0.00 H new ATOM 0 HG3 GLU A 89 97.445 124.207 -44.361 1.00 0.00 H new ATOM 1365 N ASN A 90 93.303 121.558 -43.546 1.00 0.00 N ATOM 1366 CA ASN A 90 92.550 120.508 -44.205 1.00 0.00 C ATOM 1367 C ASN A 90 91.089 120.562 -43.738 1.00 0.00 C ATOM 1368 O ASN A 90 90.200 120.996 -44.460 1.00 0.00 O ATOM 1369 CB ASN A 90 93.174 119.140 -43.911 1.00 0.00 C ATOM 1370 CG ASN A 90 94.575 119.041 -44.508 1.00 0.00 C ATOM 1371 OD1 ASN A 90 94.978 119.816 -45.365 1.00 0.00 O ATOM 1372 ND2 ASN A 90 95.279 118.022 -43.984 1.00 0.00 N ATOM 0 H ASN A 90 93.996 121.257 -42.861 1.00 0.00 H new ATOM 0 HA ASN A 90 92.579 120.660 -45.284 1.00 0.00 H new ATOM 0 HB2 ASN A 90 93.221 118.981 -42.834 1.00 0.00 H new ATOM 0 HB3 ASN A 90 92.543 118.352 -44.322 1.00 0.00 H new ATOM 0 HD21 ASN A 90 96.233 117.846 -44.300 1.00 0.00 H new ATOM 0 HD22 ASN A 90 94.859 117.426 -43.271 1.00 0.00 H new ATOM 1379 N ALA A 91 90.915 120.093 -42.483 1.00 0.00 N ATOM 1380 CA ALA A 91 89.640 119.603 -41.956 1.00 0.00 C ATOM 1381 C ALA A 91 88.584 119.315 -43.039 1.00 0.00 C ATOM 1382 O ALA A 91 87.465 119.810 -43.003 1.00 0.00 O ATOM 1383 CB ALA A 91 89.085 120.590 -40.926 1.00 0.00 C ATOM 0 H ALA A 91 91.674 120.047 -41.803 1.00 0.00 H new ATOM 0 HA ALA A 91 89.855 118.644 -41.484 1.00 0.00 H new ATOM 0 HB1 ALA A 91 88.136 120.217 -40.539 1.00 0.00 H new ATOM 0 HB2 ALA A 91 89.794 120.697 -40.105 1.00 0.00 H new ATOM 0 HB3 ALA A 91 88.928 121.560 -41.399 1.00 0.00 H new ATOM 1389 N PRO A 92 89.013 118.474 -44.001 1.00 0.00 N ATOM 1390 CA PRO A 92 88.623 118.614 -45.394 1.00 0.00 C ATOM 1391 C PRO A 92 87.097 118.680 -45.547 1.00 0.00 C ATOM 1392 O PRO A 92 86.349 118.333 -44.643 1.00 0.00 O ATOM 1393 CB PRO A 92 89.205 117.379 -46.096 1.00 0.00 C ATOM 1394 CG PRO A 92 89.974 116.572 -45.040 1.00 0.00 C ATOM 1395 CD PRO A 92 89.858 117.330 -43.714 1.00 0.00 C ATOM 0 HA PRO A 92 88.998 119.541 -45.828 1.00 0.00 H new ATOM 0 HB2 PRO A 92 88.410 116.777 -46.536 1.00 0.00 H new ATOM 0 HB3 PRO A 92 89.867 117.676 -46.910 1.00 0.00 H new ATOM 0 HG2 PRO A 92 89.559 115.568 -44.946 1.00 0.00 H new ATOM 0 HG3 PRO A 92 91.019 116.460 -45.328 1.00 0.00 H new ATOM 0 HD2 PRO A 92 89.420 116.702 -42.939 1.00 0.00 H new ATOM 0 HD3 PRO A 92 90.837 117.645 -43.354 1.00 0.00 H new ATOM 1403 N GLU A 93 86.684 119.142 -46.746 1.00 0.00 N ATOM 1404 CA GLU A 93 86.912 120.524 -47.143 1.00 0.00 C ATOM 1405 C GLU A 93 86.318 121.494 -46.115 1.00 0.00 C ATOM 1406 O GLU A 93 85.280 122.111 -46.319 1.00 0.00 O ATOM 1407 CB GLU A 93 86.294 120.759 -48.526 1.00 0.00 C ATOM 1408 CG GLU A 93 87.286 120.449 -49.646 1.00 0.00 C ATOM 1409 CD GLU A 93 86.584 120.530 -51.003 1.00 0.00 C ATOM 1410 OE1 GLU A 93 85.807 121.461 -51.209 1.00 0.00 O ATOM 1411 OE2 GLU A 93 86.822 119.658 -51.839 1.00 0.00 O ATOM 0 H GLU A 93 86.197 118.576 -47.441 1.00 0.00 H new ATOM 0 HA GLU A 93 87.985 120.709 -47.189 1.00 0.00 H new ATOM 0 HB2 GLU A 93 85.408 120.134 -48.640 1.00 0.00 H new ATOM 0 HB3 GLU A 93 85.965 121.795 -48.607 1.00 0.00 H new ATOM 0 HG2 GLU A 93 88.116 121.155 -49.614 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.708 119.454 -49.504 1.00 0.00 H new ATOM 1418 N LEU A 94 87.066 121.570 -45.002 1.00 0.00 N ATOM 1419 CA LEU A 94 87.165 122.820 -44.264 1.00 0.00 C ATOM 1420 C LEU A 94 87.955 123.894 -45.040 1.00 0.00 C ATOM 1421 O LEU A 94 87.556 125.050 -45.097 1.00 0.00 O ATOM 1422 CB LEU A 94 87.781 122.516 -42.896 1.00 0.00 C ATOM 1423 CG LEU A 94 88.209 123.750 -42.100 1.00 0.00 C ATOM 1424 CD1 LEU A 94 89.576 124.255 -42.558 1.00 0.00 C ATOM 1425 CD2 LEU A 94 87.150 124.851 -42.157 1.00 0.00 C ATOM 0 H LEU A 94 87.597 120.794 -44.607 1.00 0.00 H new ATOM 0 HA LEU A 94 86.171 123.245 -44.127 1.00 0.00 H new ATOM 0 HB2 LEU A 94 87.060 121.951 -42.305 1.00 0.00 H new ATOM 0 HB3 LEU A 94 88.649 121.873 -43.038 1.00 0.00 H new ATOM 0 HG LEU A 94 88.304 123.453 -41.056 1.00 0.00 H new ATOM 0 HD11 LEU A 94 89.854 125.133 -41.974 1.00 0.00 H new ATOM 0 HD12 LEU A 94 90.320 123.472 -42.413 1.00 0.00 H new ATOM 0 HD13 LEU A 94 89.530 124.521 -43.614 1.00 0.00 H new ATOM 0 HD21 LEU A 94 87.489 125.712 -41.580 1.00 0.00 H new ATOM 0 HD22 LEU A 94 86.990 125.149 -43.193 1.00 0.00 H new ATOM 0 HD23 LEU A 94 86.215 124.479 -41.738 1.00 0.00 H new ATOM 1437 N LEU A 95 89.085 123.454 -45.631 1.00 0.00 N ATOM 1438 CA LEU A 95 89.534 124.103 -46.857 1.00 0.00 C ATOM 1439 C LEU A 95 88.758 123.541 -48.060 1.00 0.00 C ATOM 1440 O LEU A 95 89.331 123.005 -49.001 1.00 0.00 O ATOM 1441 CB LEU A 95 91.046 123.887 -47.048 1.00 0.00 C ATOM 1442 CG LEU A 95 91.920 125.031 -46.512 1.00 0.00 C ATOM 1443 CD1 LEU A 95 92.319 125.983 -47.639 1.00 0.00 C ATOM 1444 CD2 LEU A 95 91.268 125.805 -45.364 1.00 0.00 C ATOM 0 H LEU A 95 89.671 122.690 -45.293 1.00 0.00 H new ATOM 0 HA LEU A 95 89.343 125.174 -46.783 1.00 0.00 H new ATOM 0 HB2 LEU A 95 91.335 122.961 -46.551 1.00 0.00 H new ATOM 0 HB3 LEU A 95 91.251 123.756 -48.110 1.00 0.00 H new ATOM 0 HG LEU A 95 92.815 124.563 -46.102 1.00 0.00 H new ATOM 0 HD11 LEU A 95 92.937 126.785 -47.236 1.00 0.00 H new ATOM 0 HD12 LEU A 95 92.882 125.436 -48.395 1.00 0.00 H new ATOM 0 HD13 LEU A 95 91.423 126.408 -48.091 1.00 0.00 H new ATOM 0 HD21 LEU A 95 91.938 126.598 -45.033 1.00 0.00 H new ATOM 0 HD22 LEU A 95 90.330 126.242 -45.706 1.00 0.00 H new ATOM 0 HD23 LEU A 95 91.071 125.127 -44.534 1.00 0.00 H new ATOM 1456 N LYS A 96 87.420 123.697 -47.971 1.00 0.00 N ATOM 1457 CA LYS A 96 86.710 124.639 -48.825 1.00 0.00 C ATOM 1458 C LYS A 96 87.123 124.490 -50.297 1.00 0.00 C ATOM 1459 O LYS A 96 86.280 124.111 -51.108 1.00 0.00 O ATOM 1460 CB LYS A 96 86.933 126.074 -48.336 1.00 0.00 C ATOM 1461 CG LYS A 96 85.662 126.915 -48.467 1.00 0.00 C ATOM 1462 CD LYS A 96 84.494 126.310 -47.687 1.00 0.00 C ATOM 1463 CE LYS A 96 83.346 125.892 -48.609 1.00 0.00 C ATOM 1464 NZ LYS A 96 82.808 127.013 -49.371 1.00 0.00 N ATOM 1465 OXT LYS A 96 88.278 124.771 -50.614 1.00 0.00 O ATOM 0 H LYS A 96 86.826 123.183 -47.320 1.00 0.00 H new ATOM 0 HA LYS A 96 85.646 124.412 -48.763 1.00 0.00 H new ATOM 0 HB2 LYS A 96 87.255 126.059 -47.295 1.00 0.00 H new ATOM 0 HB3 LYS A 96 87.736 126.535 -48.911 1.00 0.00 H new ATOM 0 HG2 LYS A 96 85.856 127.925 -48.105 1.00 0.00 H new ATOM 0 HG3 LYS A 96 85.390 127.000 -49.519 1.00 0.00 H new ATOM 0 HD2 LYS A 96 84.843 125.443 -47.126 1.00 0.00 H new ATOM 0 HD3 LYS A 96 84.129 127.035 -46.959 1.00 0.00 H new ATOM 0 HE2 LYS A 96 83.698 125.124 -49.298 1.00 0.00 H new ATOM 0 HE3 LYS A 96 82.550 125.446 -48.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 81.812 126.826 -49.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 82.872 127.882 -48.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 83.355 127.131 -50.247 1.00 0.00 H new TER 1479 LYS A 96