USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 7 TYR OH : rot 90:sc= -1.48 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.887 X(o=-0.89,f=-1.2) USER MOD Single : A 17 THR OG1 : rot 82:sc= 0.591 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 75:sc= -0.108 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.34 K(o=-1.3,f=-11!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.16 K(o=0.16,f=-1.1!) USER MOD Single : A 62 SER OG : rot -96:sc= 0.563 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.23) USER MOD Single : A 92 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 6.262 -2.262 -2.841 1.00 51.31 N ATOM 23 CA SER A 3 6.704 -2.909 -4.071 1.00 35.11 C ATOM 24 C SER A 3 8.210 -2.755 -4.255 1.00 62.11 C ATOM 25 O SER A 3 8.890 -3.683 -4.692 1.00 61.21 O ATOM 26 CB SER A 3 5.968 -2.319 -5.275 1.00 40.35 C ATOM 27 OG SER A 3 5.507 -3.340 -6.142 1.00 74.42 O ATOM 0 HA SER A 3 6.472 -3.971 -3.997 1.00 35.11 H new ATOM 0 HB2 SER A 3 5.124 -1.721 -4.932 1.00 40.35 H new ATOM 0 HB3 SER A 3 6.633 -1.649 -5.819 1.00 40.35 H new ATOM 0 HG SER A 3 5.039 -2.937 -6.902 1.00 74.42 H new ATOM 33 N GLN A 4 8.724 -1.576 -3.918 1.00 73.45 N ATOM 34 CA GLN A 4 10.150 -1.300 -4.047 1.00 74.03 C ATOM 35 C GLN A 4 10.880 -1.585 -2.739 1.00 33.01 C ATOM 36 O GLN A 4 10.745 -0.841 -1.767 1.00 42.32 O ATOM 37 CB GLN A 4 10.373 0.155 -4.463 1.00 60.14 C ATOM 38 CG GLN A 4 9.665 1.159 -3.569 1.00 12.25 C ATOM 39 CD GLN A 4 8.631 1.979 -4.315 1.00 61.03 C ATOM 40 OE1 GLN A 4 7.431 1.724 -4.217 1.00 75.21 O ATOM 41 NE2 GLN A 4 9.093 2.971 -5.068 1.00 32.03 N ATOM 0 H GLN A 4 8.175 -0.798 -3.554 1.00 73.45 H new ATOM 0 HA GLN A 4 10.554 -1.957 -4.817 1.00 74.03 H new ATOM 0 HB2 GLN A 4 11.442 0.366 -4.456 1.00 60.14 H new ATOM 0 HB3 GLN A 4 10.028 0.288 -5.488 1.00 60.14 H new ATOM 0 HG2 GLN A 4 9.180 0.630 -2.748 1.00 12.25 H new ATOM 0 HG3 GLN A 4 10.403 1.828 -3.126 1.00 12.25 H new ATOM 0 HE21 GLN A 4 10.096 3.147 -5.120 1.00 32.03 H new ATOM 0 HE22 GLN A 4 8.444 3.557 -5.594 1.00 32.03 H new ATOM 50 N ILE A 5 11.652 -2.666 -2.721 1.00 73.24 N ATOM 51 CA ILE A 5 12.403 -3.048 -1.532 1.00 63.44 C ATOM 52 C ILE A 5 13.761 -3.634 -1.905 1.00 20.20 C ATOM 53 O ILE A 5 13.889 -4.349 -2.900 1.00 2.42 O ATOM 54 CB ILE A 5 11.630 -4.074 -0.683 1.00 72.31 C ATOM 55 CG1 ILE A 5 10.183 -3.618 -0.486 1.00 74.30 C ATOM 56 CG2 ILE A 5 12.315 -4.274 0.660 1.00 25.32 C ATOM 57 CD1 ILE A 5 9.365 -4.556 0.374 1.00 24.34 C ATOM 0 H ILE A 5 11.774 -3.293 -3.516 1.00 73.24 H new ATOM 0 HA ILE A 5 12.549 -2.141 -0.946 1.00 63.44 H new ATOM 0 HB ILE A 5 11.622 -5.028 -1.210 1.00 72.31 H new ATOM 0 HG12 ILE A 5 10.182 -2.627 -0.031 1.00 74.30 H new ATOM 0 HG13 ILE A 5 9.705 -3.522 -1.461 1.00 74.30 H new ATOM 0 HG21 ILE A 5 11.757 -5.002 1.248 1.00 25.32 H new ATOM 0 HG22 ILE A 5 13.330 -4.638 0.500 1.00 25.32 H new ATOM 0 HG23 ILE A 5 12.350 -3.325 1.195 1.00 25.32 H new ATOM 0 HD11 ILE A 5 8.350 -4.170 0.470 1.00 24.34 H new ATOM 0 HD12 ILE A 5 9.335 -5.542 -0.090 1.00 24.34 H new ATOM 0 HD13 ILE A 5 9.819 -4.633 1.362 1.00 24.34 H new ATOM 69 N HIS A 6 14.773 -3.328 -1.099 1.00 33.42 N ATOM 70 CA HIS A 6 16.122 -3.827 -1.342 1.00 52.43 C ATOM 71 C HIS A 6 16.788 -4.250 -0.037 1.00 4.02 C ATOM 72 O HIS A 6 16.483 -3.716 1.030 1.00 75.04 O ATOM 73 CB HIS A 6 16.966 -2.757 -2.036 1.00 12.11 C ATOM 74 CG HIS A 6 16.962 -1.438 -1.327 1.00 13.32 C ATOM 75 ND1 HIS A 6 17.961 -1.045 -0.462 1.00 21.23 N ATOM 76 CD2 HIS A 6 16.073 -0.418 -1.360 1.00 13.40 C ATOM 77 CE1 HIS A 6 17.686 0.158 0.008 1.00 1.51 C ATOM 78 NE2 HIS A 6 16.546 0.562 -0.522 1.00 14.11 N ATOM 0 H HIS A 6 14.684 -2.737 -0.272 1.00 33.42 H new ATOM 0 HA HIS A 6 16.049 -4.700 -1.991 1.00 52.43 H new ATOM 0 HB2 HIS A 6 17.993 -3.113 -2.118 1.00 12.11 H new ATOM 0 HB3 HIS A 6 16.595 -2.616 -3.051 1.00 12.11 H new ATOM 0 HD2 HIS A 6 15.161 -0.381 -1.938 1.00 13.40 H new ATOM 0 HE1 HIS A 6 18.291 0.717 0.707 1.00 1.51 H new ATOM 0 HE2 HIS A 6 16.091 1.456 -0.339 1.00 14.11 H new ATOM 86 N TYR A 7 17.699 -5.212 -0.129 1.00 25.35 N ATOM 87 CA TYR A 7 18.407 -5.710 1.046 1.00 53.45 C ATOM 88 C TYR A 7 19.916 -5.682 0.824 1.00 20.44 C ATOM 89 O TYR A 7 20.387 -5.505 -0.299 1.00 61.40 O ATOM 90 CB TYR A 7 17.954 -7.133 1.375 1.00 72.03 C ATOM 91 CG TYR A 7 16.454 -7.318 1.326 1.00 11.33 C ATOM 92 CD1 TYR A 7 15.600 -6.383 1.898 1.00 41.42 C ATOM 93 CD2 TYR A 7 15.891 -8.427 0.708 1.00 73.31 C ATOM 94 CE1 TYR A 7 14.229 -6.548 1.857 1.00 42.25 C ATOM 95 CE2 TYR A 7 14.521 -8.600 0.660 1.00 12.05 C ATOM 96 CZ TYR A 7 13.694 -7.658 1.237 1.00 44.14 C ATOM 97 OH TYR A 7 12.329 -7.825 1.192 1.00 23.41 O ATOM 0 H TYR A 7 17.965 -5.663 -1.004 1.00 25.35 H new ATOM 0 HA TYR A 7 18.170 -5.058 1.886 1.00 53.45 H new ATOM 0 HB2 TYR A 7 18.420 -7.825 0.673 1.00 72.03 H new ATOM 0 HB3 TYR A 7 18.312 -7.398 2.370 1.00 72.03 H new ATOM 0 HD1 TYR A 7 16.015 -5.512 2.383 1.00 41.42 H new ATOM 0 HD2 TYR A 7 16.535 -9.167 0.257 1.00 73.31 H new ATOM 0 HE1 TYR A 7 13.580 -5.812 2.308 1.00 42.25 H new ATOM 0 HE2 TYR A 7 14.100 -9.467 0.174 1.00 12.05 H new ATOM 0 HH TYR A 7 11.974 -7.403 0.382 1.00 23.41 H new ATOM 107 N SER A 8 20.669 -5.860 1.905 1.00 21.02 N ATOM 108 CA SER A 8 22.125 -5.853 1.832 1.00 45.14 C ATOM 109 C SER A 8 22.697 -7.206 2.245 1.00 51.13 C ATOM 110 O SER A 8 22.486 -7.664 3.368 1.00 1.11 O ATOM 111 CB SER A 8 22.697 -4.751 2.726 1.00 50.24 C ATOM 112 OG SER A 8 22.452 -3.469 2.174 1.00 45.40 O ATOM 0 H SER A 8 20.294 -6.011 2.842 1.00 21.02 H new ATOM 0 HA SER A 8 22.411 -5.657 0.798 1.00 45.14 H new ATOM 0 HB2 SER A 8 22.250 -4.815 3.718 1.00 50.24 H new ATOM 0 HB3 SER A 8 23.770 -4.898 2.849 1.00 50.24 H new ATOM 0 HG SER A 8 22.826 -2.782 2.764 1.00 45.40 H new ATOM 118 N ILE A 9 23.421 -7.840 1.328 1.00 15.04 N ATOM 119 CA ILE A 9 24.024 -9.140 1.597 1.00 55.41 C ATOM 120 C ILE A 9 25.479 -9.174 1.144 1.00 62.31 C ATOM 121 O ILE A 9 25.813 -8.811 0.016 1.00 61.41 O ATOM 122 CB ILE A 9 23.252 -10.274 0.896 1.00 3.41 C ATOM 123 CG1 ILE A 9 24.063 -11.571 0.934 1.00 0.33 C ATOM 124 CG2 ILE A 9 22.930 -9.886 -0.539 1.00 74.43 C ATOM 125 CD1 ILE A 9 23.330 -12.759 0.352 1.00 11.21 C ATOM 0 H ILE A 9 23.604 -7.475 0.393 1.00 15.04 H new ATOM 0 HA ILE A 9 23.978 -9.293 2.675 1.00 55.41 H new ATOM 0 HB ILE A 9 22.314 -10.438 1.427 1.00 3.41 H new ATOM 0 HG12 ILE A 9 24.994 -11.424 0.386 1.00 0.33 H new ATOM 0 HG13 ILE A 9 24.333 -11.791 1.967 1.00 0.33 H new ATOM 0 HG21 ILE A 9 22.385 -10.697 -1.022 1.00 74.43 H new ATOM 0 HG22 ILE A 9 22.318 -8.984 -0.543 1.00 74.43 H new ATOM 0 HG23 ILE A 9 23.856 -9.699 -1.082 1.00 74.43 H new ATOM 0 HD11 ILE A 9 23.965 -13.643 0.412 1.00 11.21 H new ATOM 0 HD12 ILE A 9 22.413 -12.932 0.915 1.00 11.21 H new ATOM 0 HD13 ILE A 9 23.084 -12.559 -0.691 1.00 11.21 H new ATOM 137 N PRO A 10 26.368 -9.623 2.043 1.00 71.23 N ATOM 138 CA PRO A 10 27.803 -9.719 1.758 1.00 54.15 C ATOM 139 C PRO A 10 28.121 -10.817 0.748 1.00 2.25 C ATOM 140 O PRO A 10 27.657 -11.948 0.882 1.00 30.45 O ATOM 141 CB PRO A 10 28.414 -10.052 3.121 1.00 52.21 C ATOM 142 CG PRO A 10 27.315 -10.717 3.876 1.00 3.22 C ATOM 143 CD PRO A 10 26.041 -10.072 3.406 1.00 35.53 C ATOM 0 HA PRO A 10 28.193 -8.803 1.314 1.00 54.15 H new ATOM 0 HB2 PRO A 10 29.278 -10.709 3.018 1.00 52.21 H new ATOM 0 HB3 PRO A 10 28.757 -9.152 3.632 1.00 52.21 H new ATOM 0 HG2 PRO A 10 27.303 -11.790 3.684 1.00 3.22 H new ATOM 0 HG3 PRO A 10 27.445 -10.587 4.950 1.00 3.22 H new ATOM 0 HD2 PRO A 10 25.209 -10.777 3.408 1.00 35.53 H new ATOM 0 HD3 PRO A 10 25.753 -9.238 4.046 1.00 35.53 H new ATOM 151 N GLU A 11 28.916 -10.474 -0.261 1.00 21.54 N ATOM 152 CA GLU A 11 29.296 -11.433 -1.292 1.00 53.32 C ATOM 153 C GLU A 11 29.789 -12.736 -0.669 1.00 55.35 C ATOM 154 O GLU A 11 30.268 -12.751 0.464 1.00 62.05 O ATOM 155 CB GLU A 11 30.382 -10.842 -2.193 1.00 63.11 C ATOM 156 CG GLU A 11 30.106 -11.020 -3.677 1.00 10.34 C ATOM 157 CD GLU A 11 31.361 -11.324 -4.472 1.00 0.55 C ATOM 158 OE1 GLU A 11 31.919 -12.428 -4.299 1.00 52.42 O ATOM 159 OE2 GLU A 11 31.785 -10.458 -5.265 1.00 64.12 O ATOM 0 H GLU A 11 29.309 -9.541 -0.386 1.00 21.54 H new ATOM 0 HA GLU A 11 28.413 -11.650 -1.893 1.00 53.32 H new ATOM 0 HB2 GLU A 11 30.483 -9.779 -1.976 1.00 63.11 H new ATOM 0 HB3 GLU A 11 31.337 -11.309 -1.951 1.00 63.11 H new ATOM 0 HG2 GLU A 11 29.388 -11.829 -3.815 1.00 10.34 H new ATOM 0 HG3 GLU A 11 29.644 -10.114 -4.068 1.00 10.34 H new ATOM 166 N GLU A 12 29.665 -13.827 -1.419 1.00 44.30 N ATOM 167 CA GLU A 12 30.097 -15.135 -0.940 1.00 10.41 C ATOM 168 C GLU A 12 29.326 -15.536 0.314 1.00 31.22 C ATOM 169 O GLU A 12 29.780 -16.374 1.093 1.00 11.20 O ATOM 170 CB GLU A 12 31.599 -15.125 -0.647 1.00 72.14 C ATOM 171 CG GLU A 12 32.207 -16.513 -0.541 1.00 31.51 C ATOM 172 CD GLU A 12 33.721 -16.495 -0.621 1.00 41.13 C ATOM 173 OE1 GLU A 12 34.351 -15.807 0.208 1.00 4.42 O ATOM 174 OE2 GLU A 12 34.275 -17.170 -1.514 1.00 44.42 O ATOM 0 H GLU A 12 29.270 -13.831 -2.359 1.00 44.30 H new ATOM 0 HA GLU A 12 29.892 -15.866 -1.722 1.00 10.41 H new ATOM 0 HB2 GLU A 12 32.111 -14.572 -1.435 1.00 72.14 H new ATOM 0 HB3 GLU A 12 31.775 -14.588 0.285 1.00 72.14 H new ATOM 0 HG2 GLU A 12 31.902 -16.968 0.401 1.00 31.51 H new ATOM 0 HG3 GLU A 12 31.812 -17.140 -1.340 1.00 31.51 H new ATOM 181 N ALA A 13 28.157 -14.932 0.502 1.00 5.42 N ATOM 182 CA ALA A 13 27.322 -15.226 1.660 1.00 63.41 C ATOM 183 C ALA A 13 26.869 -16.682 1.654 1.00 64.55 C ATOM 184 O ALA A 13 26.112 -17.104 0.779 1.00 31.24 O ATOM 185 CB ALA A 13 26.118 -14.297 1.692 1.00 20.14 C ATOM 0 H ALA A 13 27.767 -14.236 -0.133 1.00 5.42 H new ATOM 0 HA ALA A 13 27.918 -15.062 2.558 1.00 63.41 H new ATOM 0 HB1 ALA A 13 25.503 -14.528 2.562 1.00 20.14 H new ATOM 0 HB2 ALA A 13 26.458 -13.263 1.752 1.00 20.14 H new ATOM 0 HB3 ALA A 13 25.529 -14.433 0.785 1.00 20.14 H new ATOM 191 N LYS A 14 27.338 -17.447 2.634 1.00 63.44 N ATOM 192 CA LYS A 14 26.982 -18.857 2.742 1.00 14.01 C ATOM 193 C LYS A 14 25.483 -19.023 2.973 1.00 51.31 C ATOM 194 O LYS A 14 24.806 -18.092 3.411 1.00 35.42 O ATOM 195 CB LYS A 14 27.760 -19.515 3.884 1.00 40.14 C ATOM 196 CG LYS A 14 27.479 -18.902 5.244 1.00 15.44 C ATOM 197 CD LYS A 14 26.352 -19.628 5.961 1.00 4.41 C ATOM 198 CE LYS A 14 26.698 -19.892 7.418 1.00 1.25 C ATOM 199 NZ LYS A 14 26.193 -21.215 7.877 1.00 30.42 N ATOM 0 H LYS A 14 27.966 -17.114 3.365 1.00 63.44 H new ATOM 0 HA LYS A 14 27.244 -19.345 1.803 1.00 14.01 H new ATOM 0 HB2 LYS A 14 27.514 -20.576 3.916 1.00 40.14 H new ATOM 0 HB3 LYS A 14 28.827 -19.441 3.675 1.00 40.14 H new ATOM 0 HG2 LYS A 14 28.382 -18.938 5.854 1.00 15.44 H new ATOM 0 HG3 LYS A 14 27.217 -17.851 5.123 1.00 15.44 H new ATOM 0 HD2 LYS A 14 25.440 -19.033 5.904 1.00 4.41 H new ATOM 0 HD3 LYS A 14 26.148 -20.573 5.457 1.00 4.41 H new ATOM 0 HE2 LYS A 14 27.780 -19.851 7.548 1.00 1.25 H new ATOM 0 HE3 LYS A 14 26.273 -19.105 8.041 1.00 1.25 H new ATOM 0 HZ1 LYS A 14 26.449 -21.357 8.875 1.00 30.42 H new ATOM 0 HZ2 LYS A 14 25.158 -21.245 7.777 1.00 30.42 H new ATOM 0 HZ3 LYS A 14 26.618 -21.968 7.300 1.00 30.42 H new ATOM 213 N HIS A 15 24.971 -20.213 2.677 1.00 61.25 N ATOM 214 CA HIS A 15 23.552 -20.501 2.854 1.00 23.11 C ATOM 215 C HIS A 15 23.125 -20.256 4.298 1.00 13.11 C ATOM 216 O HIS A 15 23.670 -20.851 5.227 1.00 50.42 O ATOM 217 CB HIS A 15 23.250 -21.947 2.459 1.00 42.10 C ATOM 218 CG HIS A 15 21.834 -22.357 2.723 1.00 1.33 C ATOM 219 ND1 HIS A 15 21.371 -22.699 3.976 1.00 10.32 N ATOM 220 CD2 HIS A 15 20.776 -22.477 1.887 1.00 5.42 C ATOM 221 CE1 HIS A 15 20.090 -23.013 3.899 1.00 22.01 C ATOM 222 NE2 HIS A 15 19.705 -22.886 2.642 1.00 11.11 N ATOM 0 H HIS A 15 25.517 -20.994 2.313 1.00 61.25 H new ATOM 0 HA HIS A 15 22.987 -19.830 2.207 1.00 23.11 H new ATOM 0 HB2 HIS A 15 23.466 -22.078 1.399 1.00 42.10 H new ATOM 0 HB3 HIS A 15 23.920 -22.611 3.005 1.00 42.10 H new ATOM 0 HD2 HIS A 15 20.775 -22.286 0.824 1.00 5.42 H new ATOM 0 HE1 HIS A 15 19.464 -23.321 4.724 1.00 22.01 H new ATOM 0 HE2 HIS A 15 18.764 -23.063 2.289 1.00 11.11 H new ATOM 230 N GLY A 16 22.145 -19.375 4.479 1.00 4.10 N ATOM 231 CA GLY A 16 21.662 -19.066 5.812 1.00 23.22 C ATOM 232 C GLY A 16 22.179 -17.736 6.323 1.00 42.25 C ATOM 233 O GLY A 16 21.990 -17.394 7.490 1.00 4.35 O ATOM 0 H GLY A 16 21.677 -18.870 3.726 1.00 4.10 H new ATOM 0 HA2 GLY A 16 20.572 -19.050 5.805 1.00 23.22 H new ATOM 0 HA3 GLY A 16 21.965 -19.858 6.497 1.00 23.22 H new ATOM 237 N THR A 17 22.836 -16.982 5.446 1.00 12.00 N ATOM 238 CA THR A 17 23.384 -15.683 5.815 1.00 63.04 C ATOM 239 C THR A 17 22.307 -14.605 5.794 1.00 74.23 C ATOM 240 O THR A 17 21.417 -14.619 4.943 1.00 33.30 O ATOM 241 CB THR A 17 24.528 -15.268 4.870 1.00 1.33 C ATOM 242 OG1 THR A 17 25.614 -16.195 4.978 1.00 11.05 O ATOM 243 CG2 THR A 17 25.018 -13.865 5.198 1.00 72.24 C ATOM 0 H THR A 17 23.001 -17.249 4.476 1.00 12.00 H new ATOM 0 HA THR A 17 23.775 -15.781 6.828 1.00 63.04 H new ATOM 0 HB THR A 17 24.146 -15.274 3.849 1.00 1.33 H new ATOM 0 HG1 THR A 17 25.431 -16.980 4.421 1.00 11.05 H new ATOM 0 HG21 THR A 17 25.826 -13.593 4.518 1.00 72.24 H new ATOM 0 HG22 THR A 17 24.196 -13.157 5.087 1.00 72.24 H new ATOM 0 HG23 THR A 17 25.383 -13.838 6.225 1.00 72.24 H new ATOM 251 N PHE A 18 22.392 -13.671 6.735 1.00 45.22 N ATOM 252 CA PHE A 18 21.424 -12.585 6.824 1.00 14.43 C ATOM 253 C PHE A 18 21.465 -11.714 5.572 1.00 71.45 C ATOM 254 O PHE A 18 22.527 -11.493 4.990 1.00 23.41 O ATOM 255 CB PHE A 18 21.698 -11.729 8.063 1.00 40.24 C ATOM 256 CG PHE A 18 21.061 -10.370 8.005 1.00 1.23 C ATOM 257 CD1 PHE A 18 19.682 -10.238 7.966 1.00 3.52 C ATOM 258 CD2 PHE A 18 21.841 -9.225 7.991 1.00 12.41 C ATOM 259 CE1 PHE A 18 19.094 -8.988 7.913 1.00 72.15 C ATOM 260 CE2 PHE A 18 21.258 -7.972 7.938 1.00 71.50 C ATOM 261 CZ PHE A 18 19.882 -7.854 7.900 1.00 64.23 C ATOM 0 H PHE A 18 23.122 -13.645 7.447 1.00 45.22 H new ATOM 0 HA PHE A 18 20.430 -13.025 6.906 1.00 14.43 H new ATOM 0 HB2 PHE A 18 21.334 -12.255 8.946 1.00 40.24 H new ATOM 0 HB3 PHE A 18 22.775 -11.612 8.183 1.00 40.24 H new ATOM 0 HD1 PHE A 18 19.060 -11.121 7.977 1.00 3.52 H new ATOM 0 HD2 PHE A 18 22.917 -9.312 8.022 1.00 12.41 H new ATOM 0 HE1 PHE A 18 18.018 -8.898 7.882 1.00 72.15 H new ATOM 0 HE2 PHE A 18 21.877 -7.087 7.926 1.00 71.50 H new ATOM 0 HZ PHE A 18 19.424 -6.877 7.860 1.00 64.23 H new ATOM 271 N VAL A 19 20.300 -11.223 5.161 1.00 70.23 N ATOM 272 CA VAL A 19 20.202 -10.377 3.978 1.00 53.24 C ATOM 273 C VAL A 19 19.402 -9.113 4.271 1.00 13.32 C ATOM 274 O VAL A 19 19.827 -8.006 3.942 1.00 35.10 O ATOM 275 CB VAL A 19 19.544 -11.127 2.804 1.00 14.32 C ATOM 276 CG1 VAL A 19 19.528 -10.257 1.556 1.00 21.32 C ATOM 277 CG2 VAL A 19 20.265 -12.440 2.540 1.00 14.13 C ATOM 0 H VAL A 19 19.411 -11.397 5.630 1.00 70.23 H new ATOM 0 HA VAL A 19 21.220 -10.103 3.700 1.00 53.24 H new ATOM 0 HB VAL A 19 18.512 -11.353 3.073 1.00 14.32 H new ATOM 0 HG11 VAL A 19 19.060 -10.804 0.737 1.00 21.32 H new ATOM 0 HG12 VAL A 19 18.963 -9.346 1.755 1.00 21.32 H new ATOM 0 HG13 VAL A 19 20.550 -9.997 1.281 1.00 21.32 H new ATOM 0 HG21 VAL A 19 19.787 -12.957 1.708 1.00 14.13 H new ATOM 0 HG22 VAL A 19 21.307 -12.239 2.292 1.00 14.13 H new ATOM 0 HG23 VAL A 19 20.218 -13.066 3.431 1.00 14.13 H new ATOM 287 N GLY A 20 18.240 -9.285 4.894 1.00 33.41 N ATOM 288 CA GLY A 20 17.398 -8.150 5.222 1.00 0.44 C ATOM 289 C GLY A 20 15.964 -8.552 5.501 1.00 34.43 C ATOM 290 O GLY A 20 15.354 -9.283 4.720 1.00 20.23 O ATOM 0 H GLY A 20 17.867 -10.191 5.177 1.00 33.41 H new ATOM 0 HA2 GLY A 20 17.805 -7.640 6.095 1.00 0.44 H new ATOM 0 HA3 GLY A 20 17.418 -7.437 4.398 1.00 0.44 H new ATOM 294 N ARG A 21 15.423 -8.076 6.618 1.00 24.43 N ATOM 295 CA ARG A 21 14.052 -8.394 7.000 1.00 45.34 C ATOM 296 C ARG A 21 13.099 -8.178 5.828 1.00 33.22 C ATOM 297 O ARG A 21 12.709 -7.048 5.532 1.00 23.20 O ATOM 298 CB ARG A 21 13.619 -7.534 8.189 1.00 63.23 C ATOM 299 CG ARG A 21 14.324 -7.892 9.487 1.00 13.32 C ATOM 300 CD ARG A 21 13.551 -8.943 10.269 1.00 43.31 C ATOM 301 NE ARG A 21 14.257 -9.352 11.480 1.00 31.32 N ATOM 302 CZ ARG A 21 13.690 -10.043 12.463 1.00 71.31 C ATOM 303 NH1 ARG A 21 12.416 -10.400 12.377 1.00 31.25 N ATOM 304 NH2 ARG A 21 14.398 -10.379 13.534 1.00 51.02 N ATOM 0 H ARG A 21 15.913 -7.469 7.274 1.00 24.43 H new ATOM 0 HA ARG A 21 14.015 -9.445 7.288 1.00 45.34 H new ATOM 0 HB2 ARG A 21 13.811 -6.486 7.958 1.00 63.23 H new ATOM 0 HB3 ARG A 21 12.543 -7.638 8.329 1.00 63.23 H new ATOM 0 HG2 ARG A 21 15.325 -8.263 9.268 1.00 13.32 H new ATOM 0 HG3 ARG A 21 14.442 -6.997 10.097 1.00 13.32 H new ATOM 0 HD2 ARG A 21 12.571 -8.548 10.536 1.00 43.31 H new ATOM 0 HD3 ARG A 21 13.382 -9.814 9.636 1.00 43.31 H new ATOM 0 HE ARG A 21 15.239 -9.093 11.577 1.00 31.32 H new ATOM 0 HH11 ARG A 21 11.869 -10.144 11.555 1.00 31.25 H new ATOM 0 HH12 ARG A 21 11.983 -10.930 13.133 1.00 31.25 H new ATOM 0 HH21 ARG A 21 15.379 -10.107 13.603 1.00 51.02 H new ATOM 0 HH22 ARG A 21 13.962 -10.909 14.288 1.00 51.02 H new ATOM 318 N ILE A 22 12.727 -9.269 5.166 1.00 2.31 N ATOM 319 CA ILE A 22 11.819 -9.199 4.028 1.00 1.42 C ATOM 320 C ILE A 22 10.406 -8.840 4.474 1.00 13.21 C ATOM 321 O ILE A 22 9.721 -8.049 3.826 1.00 43.04 O ATOM 322 CB ILE A 22 11.779 -10.531 3.257 1.00 62.02 C ATOM 323 CG1 ILE A 22 10.746 -10.463 2.130 1.00 1.52 C ATOM 324 CG2 ILE A 22 11.465 -11.681 4.202 1.00 52.00 C ATOM 325 CD1 ILE A 22 10.907 -11.554 1.096 1.00 72.51 C ATOM 0 H ILE A 22 13.040 -10.211 5.398 1.00 2.31 H new ATOM 0 HA ILE A 22 12.199 -8.419 3.369 1.00 1.42 H new ATOM 0 HB ILE A 22 12.760 -10.707 2.815 1.00 62.02 H new ATOM 0 HG12 ILE A 22 9.746 -10.526 2.560 1.00 1.52 H new ATOM 0 HG13 ILE A 22 10.821 -9.493 1.638 1.00 1.52 H new ATOM 0 HG21 ILE A 22 11.440 -12.616 3.642 1.00 52.00 H new ATOM 0 HG22 ILE A 22 12.234 -11.740 4.972 1.00 52.00 H new ATOM 0 HG23 ILE A 22 10.495 -11.513 4.670 1.00 52.00 H new ATOM 0 HD11 ILE A 22 10.141 -11.443 0.328 1.00 72.51 H new ATOM 0 HD12 ILE A 22 11.893 -11.479 0.638 1.00 72.51 H new ATOM 0 HD13 ILE A 22 10.802 -12.528 1.575 1.00 72.51 H new ATOM 337 N ALA A 23 9.976 -9.426 5.587 1.00 55.52 N ATOM 338 CA ALA A 23 8.645 -9.165 6.122 1.00 2.32 C ATOM 339 C ALA A 23 8.543 -7.746 6.672 1.00 40.13 C ATOM 340 O ALA A 23 7.608 -7.013 6.351 1.00 10.10 O ATOM 341 CB ALA A 23 8.304 -10.178 7.205 1.00 50.12 C ATOM 0 H ALA A 23 10.530 -10.084 6.135 1.00 55.52 H new ATOM 0 HA ALA A 23 7.927 -9.264 5.308 1.00 2.32 H new ATOM 0 HB1 ALA A 23 7.308 -9.971 7.596 1.00 50.12 H new ATOM 0 HB2 ALA A 23 8.327 -11.183 6.784 1.00 50.12 H new ATOM 0 HB3 ALA A 23 9.032 -10.106 8.013 1.00 50.12 H new ATOM 347 N GLN A 24 9.510 -7.366 7.501 1.00 71.40 N ATOM 348 CA GLN A 24 9.527 -6.035 8.096 1.00 73.23 C ATOM 349 C GLN A 24 9.451 -4.957 7.020 1.00 72.24 C ATOM 350 O GLN A 24 8.768 -3.946 7.187 1.00 63.32 O ATOM 351 CB GLN A 24 10.790 -5.845 8.937 1.00 63.25 C ATOM 352 CG GLN A 24 10.731 -4.639 9.860 1.00 33.55 C ATOM 353 CD GLN A 24 11.395 -4.896 11.199 1.00 74.41 C ATOM 354 OE1 GLN A 24 12.544 -4.512 11.419 1.00 74.21 O ATOM 355 NE2 GLN A 24 10.673 -5.549 12.102 1.00 31.43 N ATOM 0 H GLN A 24 10.292 -7.961 7.776 1.00 71.40 H new ATOM 0 HA GLN A 24 8.653 -5.942 8.741 1.00 73.23 H new ATOM 0 HB2 GLN A 24 10.957 -6.741 9.534 1.00 63.25 H new ATOM 0 HB3 GLN A 24 11.647 -5.741 8.272 1.00 63.25 H new ATOM 0 HG2 GLN A 24 11.215 -3.791 9.375 1.00 33.55 H new ATOM 0 HG3 GLN A 24 9.690 -4.361 10.022 1.00 33.55 H new ATOM 0 HE21 GLN A 24 9.724 -5.849 11.877 1.00 31.43 H new ATOM 0 HE22 GLN A 24 11.067 -5.751 13.021 1.00 31.43 H new ATOM 364 N ASP A 25 10.156 -5.180 5.916 1.00 51.51 N ATOM 365 CA ASP A 25 10.168 -4.227 4.811 1.00 31.35 C ATOM 366 C ASP A 25 8.864 -4.294 4.023 1.00 50.45 C ATOM 367 O ASP A 25 8.415 -3.294 3.460 1.00 70.35 O ATOM 368 CB ASP A 25 11.353 -4.503 3.885 1.00 5.13 C ATOM 369 CG ASP A 25 12.686 -4.214 4.549 1.00 53.24 C ATOM 370 OD1 ASP A 25 12.792 -4.413 5.777 1.00 63.35 O ATOM 371 OD2 ASP A 25 13.622 -3.787 3.840 1.00 74.21 O ATOM 0 H ASP A 25 10.726 -6.012 5.762 1.00 51.51 H new ATOM 0 HA ASP A 25 10.269 -3.225 5.228 1.00 31.35 H new ATOM 0 HB2 ASP A 25 11.327 -5.545 3.567 1.00 5.13 H new ATOM 0 HB3 ASP A 25 11.258 -3.893 2.986 1.00 5.13 H new ATOM 376 N LEU A 26 8.261 -5.477 3.985 1.00 40.33 N ATOM 377 CA LEU A 26 7.008 -5.674 3.264 1.00 64.34 C ATOM 378 C LEU A 26 5.848 -5.009 3.996 1.00 53.41 C ATOM 379 O LEU A 26 4.966 -4.417 3.375 1.00 41.34 O ATOM 380 CB LEU A 26 6.727 -7.168 3.090 1.00 42.12 C ATOM 381 CG LEU A 26 7.014 -7.748 1.704 1.00 30.15 C ATOM 382 CD1 LEU A 26 8.455 -7.477 1.300 1.00 53.11 C ATOM 383 CD2 LEU A 26 6.724 -9.242 1.681 1.00 13.33 C ATOM 0 H LEU A 26 8.619 -6.314 4.445 1.00 40.33 H new ATOM 0 HA LEU A 26 7.106 -5.212 2.282 1.00 64.34 H new ATOM 0 HB2 LEU A 26 7.320 -7.717 3.821 1.00 42.12 H new ATOM 0 HB3 LEU A 26 5.679 -7.350 3.328 1.00 42.12 H new ATOM 0 HG LEU A 26 6.358 -7.259 0.984 1.00 30.15 H new ATOM 0 HD11 LEU A 26 8.641 -7.897 0.311 1.00 53.11 H new ATOM 0 HD12 LEU A 26 8.630 -6.401 1.276 1.00 53.11 H new ATOM 0 HD13 LEU A 26 9.128 -7.938 2.022 1.00 53.11 H new ATOM 0 HD21 LEU A 26 6.934 -9.638 0.687 1.00 13.33 H new ATOM 0 HD22 LEU A 26 7.355 -9.746 2.413 1.00 13.33 H new ATOM 0 HD23 LEU A 26 5.676 -9.413 1.926 1.00 13.33 H new ATOM 395 N GLY A 27 5.856 -5.108 5.322 1.00 73.22 N ATOM 396 CA GLY A 27 4.800 -4.509 6.117 1.00 30.32 C ATOM 397 C GLY A 27 3.642 -5.459 6.353 1.00 40.41 C ATOM 398 O GLY A 27 2.479 -5.080 6.207 1.00 0.44 O ATOM 0 H GLY A 27 6.575 -5.592 5.860 1.00 73.22 H new ATOM 0 HA2 GLY A 27 5.207 -4.192 7.077 1.00 30.32 H new ATOM 0 HA3 GLY A 27 4.435 -3.613 5.615 1.00 30.32 H new ATOM 402 N LEU A 28 3.959 -6.697 6.716 1.00 13.52 N ATOM 403 CA LEU A 28 2.935 -7.705 6.971 1.00 3.51 C ATOM 404 C LEU A 28 3.206 -8.436 8.282 1.00 13.53 C ATOM 405 O LEU A 28 4.116 -8.076 9.028 1.00 41.34 O ATOM 406 CB LEU A 28 2.880 -8.707 5.817 1.00 64.00 C ATOM 407 CG LEU A 28 3.649 -8.319 4.554 1.00 44.14 C ATOM 408 CD1 LEU A 28 3.753 -9.504 3.606 1.00 34.13 C ATOM 409 CD2 LEU A 28 2.981 -7.139 3.864 1.00 52.14 C ATOM 0 H LEU A 28 4.916 -7.027 6.840 1.00 13.52 H new ATOM 0 HA LEU A 28 1.973 -7.199 7.051 1.00 3.51 H new ATOM 0 HB2 LEU A 28 3.265 -9.663 6.173 1.00 64.00 H new ATOM 0 HB3 LEU A 28 1.835 -8.864 5.548 1.00 64.00 H new ATOM 0 HG LEU A 28 4.657 -8.022 4.843 1.00 44.14 H new ATOM 0 HD11 LEU A 28 4.304 -9.208 2.713 1.00 34.13 H new ATOM 0 HD12 LEU A 28 4.277 -10.321 4.101 1.00 34.13 H new ATOM 0 HD13 LEU A 28 2.753 -9.833 3.323 1.00 34.13 H new ATOM 0 HD21 LEU A 28 3.542 -6.877 2.967 1.00 52.14 H new ATOM 0 HD22 LEU A 28 1.961 -7.408 3.588 1.00 52.14 H new ATOM 0 HD23 LEU A 28 2.960 -6.285 4.542 1.00 52.14 H new ATOM 421 N GLU A 29 2.409 -9.465 8.555 1.00 5.53 N ATOM 422 CA GLU A 29 2.565 -10.247 9.776 1.00 14.42 C ATOM 423 C GLU A 29 3.259 -11.574 9.487 1.00 22.32 C ATOM 424 O GLU A 29 3.081 -12.162 8.419 1.00 2.32 O ATOM 425 CB GLU A 29 1.201 -10.502 10.422 1.00 50.24 C ATOM 426 CG GLU A 29 0.922 -9.617 11.625 1.00 51.12 C ATOM 427 CD GLU A 29 -0.135 -10.198 12.544 1.00 23.30 C ATOM 428 OE1 GLU A 29 0.124 -11.259 13.150 1.00 52.10 O ATOM 429 OE2 GLU A 29 -1.220 -9.592 12.657 1.00 15.53 O ATOM 0 H GLU A 29 1.650 -9.776 7.948 1.00 5.53 H new ATOM 0 HA GLU A 29 3.185 -9.676 10.467 1.00 14.42 H new ATOM 0 HB2 GLU A 29 0.421 -10.345 9.677 1.00 50.24 H new ATOM 0 HB3 GLU A 29 1.143 -11.546 10.729 1.00 50.24 H new ATOM 0 HG2 GLU A 29 1.845 -9.471 12.186 1.00 51.12 H new ATOM 0 HG3 GLU A 29 0.599 -8.634 11.281 1.00 51.12 H new ATOM 436 N LEU A 30 4.052 -12.041 10.446 1.00 74.44 N ATOM 437 CA LEU A 30 4.774 -13.300 10.295 1.00 4.43 C ATOM 438 C LEU A 30 3.815 -14.485 10.321 1.00 70.10 C ATOM 439 O LEU A 30 4.095 -15.538 9.746 1.00 52.52 O ATOM 440 CB LEU A 30 5.816 -13.448 11.406 1.00 42.14 C ATOM 441 CG LEU A 30 7.279 -13.361 10.969 1.00 21.32 C ATOM 442 CD1 LEU A 30 7.701 -14.639 10.261 1.00 24.21 C ATOM 443 CD2 LEU A 30 7.497 -12.154 10.069 1.00 14.31 C ATOM 0 H LEU A 30 4.211 -11.567 11.335 1.00 74.44 H new ATOM 0 HA LEU A 30 5.279 -13.287 9.329 1.00 4.43 H new ATOM 0 HB2 LEU A 30 5.634 -12.675 12.153 1.00 42.14 H new ATOM 0 HB3 LEU A 30 5.661 -14.409 11.897 1.00 42.14 H new ATOM 0 HG LEU A 30 7.897 -13.241 11.859 1.00 21.32 H new ATOM 0 HD11 LEU A 30 8.745 -14.559 9.957 1.00 24.21 H new ATOM 0 HD12 LEU A 30 7.584 -15.485 10.938 1.00 24.21 H new ATOM 0 HD13 LEU A 30 7.077 -14.790 9.380 1.00 24.21 H new ATOM 0 HD21 LEU A 30 8.544 -12.109 9.768 1.00 14.31 H new ATOM 0 HD22 LEU A 30 6.868 -12.243 9.183 1.00 14.31 H new ATOM 0 HD23 LEU A 30 7.235 -11.245 10.610 1.00 14.31 H new ATOM 455 N THR A 31 2.680 -14.307 10.990 1.00 22.34 N ATOM 456 CA THR A 31 1.678 -15.361 11.090 1.00 25.13 C ATOM 457 C THR A 31 0.602 -15.199 10.023 1.00 20.51 C ATOM 458 O THR A 31 -0.361 -15.965 9.980 1.00 43.54 O ATOM 459 CB THR A 31 1.011 -15.372 12.479 1.00 64.33 C ATOM 460 OG1 THR A 31 1.867 -14.742 13.438 1.00 22.45 O ATOM 461 CG2 THR A 31 0.706 -16.796 12.921 1.00 40.52 C ATOM 0 H THR A 31 2.432 -13.442 11.471 1.00 22.34 H new ATOM 0 HA THR A 31 2.198 -16.307 10.937 1.00 25.13 H new ATOM 0 HB THR A 31 0.073 -14.820 12.412 1.00 64.33 H new ATOM 0 HG1 THR A 31 1.435 -14.751 14.318 1.00 22.45 H new ATOM 0 HG21 THR A 31 0.236 -16.779 13.904 1.00 40.52 H new ATOM 0 HG22 THR A 31 0.031 -17.263 12.204 1.00 40.52 H new ATOM 0 HG23 THR A 31 1.633 -17.367 12.972 1.00 40.52 H new ATOM 469 N GLU A 32 0.772 -14.199 9.164 1.00 64.51 N ATOM 470 CA GLU A 32 -0.186 -13.939 8.097 1.00 53.44 C ATOM 471 C GLU A 32 0.334 -14.457 6.759 1.00 3.30 C ATOM 472 O GLU A 32 -0.409 -14.539 5.780 1.00 31.33 O ATOM 473 CB GLU A 32 -0.477 -12.440 7.997 1.00 11.31 C ATOM 474 CG GLU A 32 -1.721 -12.009 8.756 1.00 75.44 C ATOM 475 CD GLU A 32 -1.831 -12.667 10.117 1.00 32.24 C ATOM 476 OE1 GLU A 32 -0.959 -12.409 10.973 1.00 35.45 O ATOM 477 OE2 GLU A 32 -2.790 -13.440 10.327 1.00 42.02 O ATOM 0 H GLU A 32 1.564 -13.556 9.186 1.00 64.51 H new ATOM 0 HA GLU A 32 -1.109 -14.467 8.337 1.00 53.44 H new ATOM 0 HB2 GLU A 32 0.381 -11.886 8.378 1.00 11.31 H new ATOM 0 HB3 GLU A 32 -0.590 -12.170 6.947 1.00 11.31 H new ATOM 0 HG2 GLU A 32 -1.709 -10.926 8.880 1.00 75.44 H new ATOM 0 HG3 GLU A 32 -2.605 -12.253 8.166 1.00 75.44 H new ATOM 484 N LEU A 33 1.616 -14.804 6.724 1.00 20.04 N ATOM 485 CA LEU A 33 2.238 -15.314 5.507 1.00 10.22 C ATOM 486 C LEU A 33 1.660 -16.674 5.129 1.00 53.54 C ATOM 487 O LEU A 33 1.374 -16.935 3.960 1.00 50.21 O ATOM 488 CB LEU A 33 3.752 -15.425 5.693 1.00 43.43 C ATOM 489 CG LEU A 33 4.480 -14.131 6.058 1.00 3.52 C ATOM 490 CD1 LEU A 33 5.608 -14.411 7.039 1.00 31.22 C ATOM 491 CD2 LEU A 33 5.016 -13.449 4.808 1.00 41.42 C ATOM 0 H LEU A 33 2.245 -14.741 7.525 1.00 20.04 H new ATOM 0 HA LEU A 33 2.027 -14.613 4.699 1.00 10.22 H new ATOM 0 HB2 LEU A 33 3.949 -16.161 6.472 1.00 43.43 H new ATOM 0 HB3 LEU A 33 4.184 -15.813 4.771 1.00 43.43 H new ATOM 0 HG LEU A 33 3.767 -13.459 6.537 1.00 3.52 H new ATOM 0 HD11 LEU A 33 6.114 -13.478 7.287 1.00 31.22 H new ATOM 0 HD12 LEU A 33 5.199 -14.854 7.947 1.00 31.22 H new ATOM 0 HD13 LEU A 33 6.320 -15.101 6.587 1.00 31.22 H new ATOM 0 HD21 LEU A 33 5.531 -12.530 5.087 1.00 41.42 H new ATOM 0 HD22 LEU A 33 5.713 -14.116 4.300 1.00 41.42 H new ATOM 0 HD23 LEU A 33 4.188 -13.212 4.139 1.00 41.42 H new ATOM 503 N VAL A 34 1.488 -17.536 6.125 1.00 33.13 N ATOM 504 CA VAL A 34 0.940 -18.868 5.898 1.00 61.04 C ATOM 505 C VAL A 34 -0.374 -18.798 5.128 1.00 40.31 C ATOM 506 O VAL A 34 -0.522 -19.372 4.049 1.00 64.11 O ATOM 507 CB VAL A 34 0.705 -19.613 7.225 1.00 4.23 C ATOM 508 CG1 VAL A 34 -0.470 -20.570 7.100 1.00 22.31 C ATOM 509 CG2 VAL A 34 1.964 -20.354 7.650 1.00 44.42 C ATOM 0 H VAL A 34 1.720 -17.336 7.098 1.00 33.13 H new ATOM 0 HA VAL A 34 1.675 -19.415 5.308 1.00 61.04 H new ATOM 0 HB VAL A 34 0.465 -18.880 7.995 1.00 4.23 H new ATOM 0 HG11 VAL A 34 -0.620 -21.087 8.048 1.00 22.31 H new ATOM 0 HG12 VAL A 34 -1.370 -20.010 6.845 1.00 22.31 H new ATOM 0 HG13 VAL A 34 -0.263 -21.300 6.317 1.00 22.31 H new ATOM 0 HG21 VAL A 34 1.780 -20.875 8.590 1.00 44.42 H new ATOM 0 HG22 VAL A 34 2.237 -21.077 6.882 1.00 44.42 H new ATOM 0 HG23 VAL A 34 2.778 -19.641 7.784 1.00 44.42 H new ATOM 519 N PRO A 35 -1.353 -18.076 5.693 1.00 31.45 N ATOM 520 CA PRO A 35 -2.673 -17.913 5.077 1.00 41.51 C ATOM 521 C PRO A 35 -2.624 -17.045 3.824 1.00 43.30 C ATOM 522 O PRO A 35 -3.558 -17.041 3.023 1.00 75.21 O ATOM 523 CB PRO A 35 -3.493 -17.225 6.172 1.00 60.25 C ATOM 524 CG PRO A 35 -2.487 -16.514 7.009 1.00 44.14 C ATOM 525 CD PRO A 35 -1.247 -17.365 6.978 1.00 11.23 C ATOM 0 HA PRO A 35 -3.090 -18.865 4.748 1.00 41.51 H new ATOM 0 HB2 PRO A 35 -4.217 -16.530 5.747 1.00 60.25 H new ATOM 0 HB3 PRO A 35 -4.056 -17.950 6.760 1.00 60.25 H new ATOM 0 HG2 PRO A 35 -2.286 -15.517 6.616 1.00 44.14 H new ATOM 0 HG3 PRO A 35 -2.848 -16.387 8.030 1.00 44.14 H new ATOM 0 HD2 PRO A 35 -0.342 -16.759 7.028 1.00 11.23 H new ATOM 0 HD3 PRO A 35 -1.214 -18.058 7.819 1.00 11.23 H new ATOM 533 N ARG A 36 -1.528 -16.311 3.661 1.00 42.22 N ATOM 534 CA ARG A 36 -1.358 -15.438 2.505 1.00 23.32 C ATOM 535 C ARG A 36 -0.670 -16.179 1.362 1.00 52.43 C ATOM 536 O ARG A 36 -0.321 -15.581 0.343 1.00 65.44 O ATOM 537 CB ARG A 36 -0.543 -14.201 2.889 1.00 73.42 C ATOM 538 CG ARG A 36 -1.381 -13.082 3.485 1.00 4.14 C ATOM 539 CD ARG A 36 -0.532 -11.860 3.802 1.00 34.12 C ATOM 540 NE ARG A 36 -1.347 -10.662 3.988 1.00 24.05 N ATOM 541 CZ ARG A 36 -0.876 -9.426 3.862 1.00 64.43 C ATOM 542 NH1 ARG A 36 0.398 -9.227 3.550 1.00 75.54 N ATOM 543 NH2 ARG A 36 -1.679 -8.387 4.047 1.00 41.32 N ATOM 0 H ARG A 36 -0.745 -16.303 4.314 1.00 42.22 H new ATOM 0 HA ARG A 36 -2.346 -15.124 2.169 1.00 23.32 H new ATOM 0 HB2 ARG A 36 0.225 -14.490 3.606 1.00 73.42 H new ATOM 0 HB3 ARG A 36 -0.028 -13.826 2.004 1.00 73.42 H new ATOM 0 HG2 ARG A 36 -2.172 -12.806 2.787 1.00 4.14 H new ATOM 0 HG3 ARG A 36 -1.867 -13.435 4.394 1.00 4.14 H new ATOM 0 HD2 ARG A 36 0.050 -12.047 4.705 1.00 34.12 H new ATOM 0 HD3 ARG A 36 0.179 -11.693 2.993 1.00 34.12 H new ATOM 0 HE ARG A 36 -2.331 -10.781 4.228 1.00 24.05 H new ATOM 0 HH11 ARG A 36 1.018 -10.024 3.406 1.00 75.54 H new ATOM 0 HH12 ARG A 36 0.757 -8.277 3.454 1.00 75.54 H new ATOM 0 HH21 ARG A 36 -2.659 -8.536 4.286 1.00 41.32 H new ATOM 0 HH22 ARG A 36 -1.316 -7.439 3.950 1.00 41.32 H new ATOM 557 N LEU A 37 -0.479 -17.481 1.538 1.00 70.34 N ATOM 558 CA LEU A 37 0.167 -18.304 0.521 1.00 42.12 C ATOM 559 C LEU A 37 1.441 -17.638 0.011 1.00 62.24 C ATOM 560 O LEU A 37 1.596 -17.407 -1.189 1.00 21.42 O ATOM 561 CB LEU A 37 -0.792 -18.556 -0.644 1.00 64.41 C ATOM 562 CG LEU A 37 -1.752 -19.735 -0.480 1.00 2.02 C ATOM 563 CD1 LEU A 37 -0.983 -21.045 -0.417 1.00 64.44 C ATOM 564 CD2 LEU A 37 -2.607 -19.556 0.766 1.00 21.52 C ATOM 0 H LEU A 37 -0.762 -17.990 2.375 1.00 70.34 H new ATOM 0 HA LEU A 37 0.434 -19.258 0.976 1.00 42.12 H new ATOM 0 HB2 LEU A 37 -1.381 -17.653 -0.805 1.00 64.41 H new ATOM 0 HB3 LEU A 37 -0.202 -18.717 -1.546 1.00 64.41 H new ATOM 0 HG LEU A 37 -2.411 -19.766 -1.348 1.00 2.02 H new ATOM 0 HD11 LEU A 37 -1.683 -21.872 -0.300 1.00 64.44 H new ATOM 0 HD12 LEU A 37 -0.414 -21.178 -1.337 1.00 64.44 H new ATOM 0 HD13 LEU A 37 -0.300 -21.025 0.432 1.00 64.44 H new ATOM 0 HD21 LEU A 37 -3.284 -20.404 0.867 1.00 21.52 H new ATOM 0 HD22 LEU A 37 -1.963 -19.499 1.644 1.00 21.52 H new ATOM 0 HD23 LEU A 37 -3.187 -18.637 0.681 1.00 21.52 H new ATOM 576 N PHE A 38 2.352 -17.334 0.929 1.00 1.30 N ATOM 577 CA PHE A 38 3.614 -16.696 0.572 1.00 11.33 C ATOM 578 C PHE A 38 4.397 -17.555 -0.416 1.00 42.43 C ATOM 579 O PHE A 38 4.497 -18.771 -0.255 1.00 3.14 O ATOM 580 CB PHE A 38 4.455 -16.445 1.825 1.00 2.24 C ATOM 581 CG PHE A 38 5.207 -15.145 1.793 1.00 53.35 C ATOM 582 CD1 PHE A 38 4.529 -13.940 1.688 1.00 65.42 C ATOM 583 CD2 PHE A 38 6.590 -15.127 1.867 1.00 41.21 C ATOM 584 CE1 PHE A 38 5.219 -12.743 1.656 1.00 13.25 C ATOM 585 CE2 PHE A 38 7.285 -13.932 1.837 1.00 73.25 C ATOM 586 CZ PHE A 38 6.598 -12.739 1.732 1.00 11.42 C ATOM 0 H PHE A 38 2.240 -17.519 1.926 1.00 1.30 H new ATOM 0 HA PHE A 38 3.388 -15.741 0.097 1.00 11.33 H new ATOM 0 HB2 PHE A 38 3.803 -16.457 2.699 1.00 2.24 H new ATOM 0 HB3 PHE A 38 5.165 -17.263 1.946 1.00 2.24 H new ATOM 0 HD1 PHE A 38 3.451 -13.937 1.631 1.00 65.42 H new ATOM 0 HD2 PHE A 38 7.132 -16.058 1.949 1.00 41.21 H new ATOM 0 HE1 PHE A 38 4.680 -11.811 1.572 1.00 13.25 H new ATOM 0 HE2 PHE A 38 8.363 -13.932 1.896 1.00 73.25 H new ATOM 0 HZ PHE A 38 7.138 -11.804 1.709 1.00 11.42 H new ATOM 596 N ARG A 39 4.950 -16.912 -1.440 1.00 60.52 N ATOM 597 CA ARG A 39 5.723 -17.617 -2.456 1.00 53.23 C ATOM 598 C ARG A 39 6.867 -16.747 -2.969 1.00 30.21 C ATOM 599 O ARG A 39 6.718 -15.535 -3.126 1.00 34.32 O ATOM 600 CB ARG A 39 4.819 -18.028 -3.620 1.00 64.04 C ATOM 601 CG ARG A 39 5.022 -19.466 -4.070 1.00 43.43 C ATOM 602 CD ARG A 39 4.149 -20.426 -3.278 1.00 1.22 C ATOM 603 NE ARG A 39 4.509 -21.820 -3.521 1.00 73.30 N ATOM 604 CZ ARG A 39 3.726 -22.847 -3.206 1.00 43.44 C ATOM 605 NH1 ARG A 39 2.546 -22.636 -2.639 1.00 45.44 N ATOM 606 NH2 ARG A 39 4.123 -24.087 -3.459 1.00 64.22 N ATOM 0 H ARG A 39 4.877 -15.905 -1.588 1.00 60.52 H new ATOM 0 HA ARG A 39 6.146 -18.512 -2.000 1.00 53.23 H new ATOM 0 HB2 ARG A 39 3.778 -17.891 -3.326 1.00 64.04 H new ATOM 0 HB3 ARG A 39 5.002 -17.363 -4.464 1.00 64.04 H new ATOM 0 HG2 ARG A 39 4.790 -19.552 -5.131 1.00 43.43 H new ATOM 0 HG3 ARG A 39 6.070 -19.742 -3.950 1.00 43.43 H new ATOM 0 HD2 ARG A 39 4.243 -20.208 -2.214 1.00 1.22 H new ATOM 0 HD3 ARG A 39 3.104 -20.270 -3.545 1.00 1.22 H new ATOM 0 HE ARG A 39 5.410 -22.016 -3.956 1.00 73.30 H new ATOM 0 HH11 ARG A 39 2.237 -21.684 -2.444 1.00 45.44 H new ATOM 0 HH12 ARG A 39 1.947 -23.426 -2.398 1.00 45.44 H new ATOM 0 HH21 ARG A 39 5.030 -24.253 -3.896 1.00 64.22 H new ATOM 0 HH22 ARG A 39 3.522 -24.874 -3.217 1.00 64.22 H new ATOM 620 N VAL A 40 8.010 -17.374 -3.228 1.00 20.41 N ATOM 621 CA VAL A 40 9.180 -16.659 -3.723 1.00 53.42 C ATOM 622 C VAL A 40 9.616 -17.193 -5.083 1.00 11.22 C ATOM 623 O VAL A 40 9.649 -18.403 -5.304 1.00 4.11 O ATOM 624 CB VAL A 40 10.360 -16.764 -2.740 1.00 23.04 C ATOM 625 CG1 VAL A 40 11.536 -15.930 -3.225 1.00 61.22 C ATOM 626 CG2 VAL A 40 9.931 -16.334 -1.345 1.00 22.31 C ATOM 0 H VAL A 40 8.151 -18.377 -3.103 1.00 20.41 H new ATOM 0 HA VAL A 40 8.892 -15.612 -3.822 1.00 53.42 H new ATOM 0 HB VAL A 40 10.679 -17.805 -2.693 1.00 23.04 H new ATOM 0 HG11 VAL A 40 12.360 -16.017 -2.517 1.00 61.22 H new ATOM 0 HG12 VAL A 40 11.858 -16.289 -4.203 1.00 61.22 H new ATOM 0 HG13 VAL A 40 11.234 -14.886 -3.303 1.00 61.22 H new ATOM 0 HG21 VAL A 40 10.777 -16.415 -0.663 1.00 22.31 H new ATOM 0 HG22 VAL A 40 9.585 -15.301 -1.373 1.00 22.31 H new ATOM 0 HG23 VAL A 40 9.123 -16.978 -0.998 1.00 22.31 H new ATOM 636 N ALA A 41 9.950 -16.282 -5.991 1.00 10.31 N ATOM 637 CA ALA A 41 10.387 -16.661 -7.329 1.00 31.13 C ATOM 638 C ALA A 41 11.432 -15.687 -7.862 1.00 13.41 C ATOM 639 O ALA A 41 11.590 -14.584 -7.339 1.00 0.24 O ATOM 640 CB ALA A 41 9.196 -16.730 -8.273 1.00 50.11 C ATOM 0 H ALA A 41 9.926 -15.276 -5.824 1.00 10.31 H new ATOM 0 HA ALA A 41 10.846 -17.648 -7.269 1.00 31.13 H new ATOM 0 HB1 ALA A 41 9.537 -17.014 -9.269 1.00 50.11 H new ATOM 0 HB2 ALA A 41 8.485 -17.471 -7.908 1.00 50.11 H new ATOM 0 HB3 ALA A 41 8.712 -15.755 -8.320 1.00 50.11 H new ATOM 646 N SER A 42 12.143 -16.101 -8.906 1.00 32.35 N ATOM 647 CA SER A 42 13.176 -15.266 -9.507 1.00 21.32 C ATOM 648 C SER A 42 13.376 -15.623 -10.977 1.00 21.45 C ATOM 649 O SER A 42 13.045 -16.727 -11.410 1.00 63.14 O ATOM 650 CB SER A 42 14.495 -15.424 -8.748 1.00 20.52 C ATOM 651 OG SER A 42 15.589 -15.527 -9.642 1.00 42.44 O ATOM 0 H SER A 42 12.022 -17.010 -9.353 1.00 32.35 H new ATOM 0 HA SER A 42 12.851 -14.227 -9.444 1.00 21.32 H new ATOM 0 HB2 SER A 42 14.642 -14.571 -8.086 1.00 20.52 H new ATOM 0 HB3 SER A 42 14.451 -16.312 -8.118 1.00 20.52 H new ATOM 0 HG SER A 42 15.788 -14.644 -10.019 1.00 42.44 H new ATOM 657 N LYS A 43 13.920 -14.681 -11.739 1.00 1.10 N ATOM 658 CA LYS A 43 14.167 -14.894 -13.160 1.00 54.32 C ATOM 659 C LYS A 43 15.507 -15.587 -13.382 1.00 41.22 C ATOM 660 O LYS A 43 15.623 -16.482 -14.219 1.00 74.13 O ATOM 661 CB LYS A 43 14.140 -13.559 -13.909 1.00 23.12 C ATOM 662 CG LYS A 43 13.067 -13.484 -14.981 1.00 13.15 C ATOM 663 CD LYS A 43 13.620 -12.938 -16.286 1.00 55.13 C ATOM 664 CE LYS A 43 14.160 -14.051 -17.171 1.00 44.52 C ATOM 665 NZ LYS A 43 15.583 -13.819 -17.546 1.00 20.43 N ATOM 0 H LYS A 43 14.199 -13.762 -11.396 1.00 1.10 H new ATOM 0 HA LYS A 43 13.377 -15.537 -13.548 1.00 54.32 H new ATOM 0 HB2 LYS A 43 13.982 -12.753 -13.192 1.00 23.12 H new ATOM 0 HB3 LYS A 43 15.114 -13.390 -14.369 1.00 23.12 H new ATOM 0 HG2 LYS A 43 12.649 -14.477 -15.149 1.00 13.15 H new ATOM 0 HG3 LYS A 43 12.251 -12.849 -14.636 1.00 13.15 H new ATOM 0 HD2 LYS A 43 12.836 -12.397 -16.817 1.00 55.13 H new ATOM 0 HD3 LYS A 43 14.414 -12.222 -16.075 1.00 55.13 H new ATOM 0 HE2 LYS A 43 14.072 -15.004 -16.650 1.00 44.52 H new ATOM 0 HE3 LYS A 43 13.554 -14.124 -18.074 1.00 44.52 H new ATOM 0 HZ1 LYS A 43 15.915 -14.599 -18.149 1.00 20.43 H new ATOM 0 HZ2 LYS A 43 15.663 -12.921 -18.065 1.00 20.43 H new ATOM 0 HZ3 LYS A 43 16.166 -13.775 -16.686 1.00 20.43 H new ATOM 679 N ASP A 44 16.516 -15.168 -12.627 1.00 25.23 N ATOM 680 CA ASP A 44 17.849 -15.751 -12.739 1.00 54.12 C ATOM 681 C ASP A 44 17.787 -17.271 -12.632 1.00 64.44 C ATOM 682 O ASP A 44 17.881 -17.978 -13.636 1.00 75.21 O ATOM 683 CB ASP A 44 18.768 -15.188 -11.655 1.00 2.44 C ATOM 684 CG ASP A 44 19.654 -14.070 -12.169 1.00 54.15 C ATOM 685 OD1 ASP A 44 20.100 -14.155 -13.332 1.00 62.13 O ATOM 686 OD2 ASP A 44 19.901 -13.110 -11.409 1.00 73.22 O ATOM 0 H ASP A 44 16.437 -14.427 -11.931 1.00 25.23 H new ATOM 0 HA ASP A 44 18.252 -15.489 -13.717 1.00 54.12 H new ATOM 0 HB2 ASP A 44 18.164 -14.817 -10.827 1.00 2.44 H new ATOM 0 HB3 ASP A 44 19.392 -15.990 -11.260 1.00 2.44 H new ATOM 691 N ARG A 45 17.631 -17.768 -11.409 1.00 45.25 N ATOM 692 CA ARG A 45 17.560 -19.204 -11.171 1.00 64.44 C ATOM 693 C ARG A 45 16.227 -19.584 -10.534 1.00 23.53 C ATOM 694 O ARG A 45 15.828 -20.748 -10.551 1.00 65.12 O ATOM 695 CB ARG A 45 18.714 -19.651 -10.272 1.00 21.43 C ATOM 696 CG ARG A 45 20.049 -19.744 -10.993 1.00 74.14 C ATOM 697 CD ARG A 45 21.156 -20.205 -10.059 1.00 63.12 C ATOM 698 NE ARG A 45 22.397 -20.484 -10.777 1.00 60.42 N ATOM 699 CZ ARG A 45 22.620 -21.608 -11.449 1.00 23.52 C ATOM 700 NH1 ARG A 45 21.691 -22.553 -11.494 1.00 61.14 N ATOM 701 NH2 ARG A 45 23.775 -21.789 -12.077 1.00 60.11 N ATOM 0 H ARG A 45 17.551 -17.197 -10.568 1.00 45.25 H new ATOM 0 HA ARG A 45 17.641 -19.711 -12.132 1.00 64.44 H new ATOM 0 HB2 ARG A 45 18.808 -18.952 -9.441 1.00 21.43 H new ATOM 0 HB3 ARG A 45 18.474 -20.624 -9.844 1.00 21.43 H new ATOM 0 HG2 ARG A 45 19.964 -20.438 -11.829 1.00 74.14 H new ATOM 0 HG3 ARG A 45 20.306 -18.771 -11.411 1.00 74.14 H new ATOM 0 HD2 ARG A 45 21.337 -19.438 -9.306 1.00 63.12 H new ATOM 0 HD3 ARG A 45 20.834 -21.102 -9.530 1.00 63.12 H new ATOM 0 HE ARG A 45 23.132 -19.777 -10.762 1.00 60.42 H new ATOM 0 HH11 ARG A 45 20.802 -22.418 -11.012 1.00 61.14 H new ATOM 0 HH12 ARG A 45 21.865 -23.415 -12.011 1.00 61.14 H new ATOM 0 HH21 ARG A 45 24.492 -21.065 -12.044 1.00 60.11 H new ATOM 0 HH22 ARG A 45 23.945 -22.652 -12.593 1.00 60.11 H new ATOM 715 N GLY A 46 15.543 -18.594 -9.970 1.00 55.42 N ATOM 716 CA GLY A 46 14.262 -18.844 -9.334 1.00 64.43 C ATOM 717 C GLY A 46 14.405 -19.220 -7.873 1.00 32.13 C ATOM 718 O GLY A 46 13.426 -19.218 -7.126 1.00 51.01 O ATOM 0 H GLY A 46 15.853 -17.623 -9.942 1.00 55.42 H new ATOM 0 HA2 GLY A 46 13.638 -17.954 -9.418 1.00 64.43 H new ATOM 0 HA3 GLY A 46 13.747 -19.645 -9.864 1.00 64.43 H new ATOM 722 N ASP A 47 15.626 -19.545 -7.463 1.00 41.04 N ATOM 723 CA ASP A 47 15.893 -19.926 -6.081 1.00 43.52 C ATOM 724 C ASP A 47 17.162 -19.252 -5.568 1.00 11.23 C ATOM 725 O ASP A 47 18.167 -19.914 -5.307 1.00 3.03 O ATOM 726 CB ASP A 47 16.025 -21.445 -5.964 1.00 53.14 C ATOM 727 CG ASP A 47 15.694 -21.949 -4.573 1.00 64.35 C ATOM 728 OD1 ASP A 47 15.633 -21.121 -3.641 1.00 41.24 O ATOM 729 OD2 ASP A 47 15.498 -23.173 -4.417 1.00 0.13 O ATOM 0 H ASP A 47 16.447 -19.552 -8.068 1.00 41.04 H new ATOM 0 HA ASP A 47 15.054 -19.594 -5.470 1.00 43.52 H new ATOM 0 HB2 ASP A 47 15.363 -21.921 -6.687 1.00 53.14 H new ATOM 0 HB3 ASP A 47 17.042 -21.739 -6.221 1.00 53.14 H new ATOM 734 N LEU A 48 17.109 -17.932 -5.426 1.00 33.12 N ATOM 735 CA LEU A 48 18.254 -17.168 -4.944 1.00 41.43 C ATOM 736 C LEU A 48 18.276 -17.121 -3.420 1.00 12.01 C ATOM 737 O LEU A 48 19.321 -17.312 -2.797 1.00 2.40 O ATOM 738 CB LEU A 48 18.217 -15.746 -5.509 1.00 24.41 C ATOM 739 CG LEU A 48 18.116 -15.631 -7.030 1.00 53.12 C ATOM 740 CD1 LEU A 48 17.361 -14.370 -7.421 1.00 14.25 C ATOM 741 CD2 LEU A 48 19.501 -15.642 -7.660 1.00 1.33 C ATOM 0 H LEU A 48 16.285 -17.369 -5.638 1.00 33.12 H new ATOM 0 HA LEU A 48 19.161 -17.666 -5.286 1.00 41.43 H new ATOM 0 HB2 LEU A 48 17.368 -15.223 -5.068 1.00 24.41 H new ATOM 0 HB3 LEU A 48 19.117 -15.224 -5.184 1.00 24.41 H new ATOM 0 HG LEU A 48 17.562 -16.492 -7.404 1.00 53.12 H new ATOM 0 HD11 LEU A 48 17.299 -14.305 -8.507 1.00 14.25 H new ATOM 0 HD12 LEU A 48 16.355 -14.403 -7.002 1.00 14.25 H new ATOM 0 HD13 LEU A 48 17.887 -13.497 -7.035 1.00 14.25 H new ATOM 0 HD21 LEU A 48 19.409 -15.559 -8.743 1.00 1.33 H new ATOM 0 HD22 LEU A 48 20.080 -14.801 -7.280 1.00 1.33 H new ATOM 0 HD23 LEU A 48 20.007 -16.574 -7.409 1.00 1.33 H new ATOM 753 N LEU A 49 17.115 -16.869 -2.824 1.00 44.55 N ATOM 754 CA LEU A 49 17.000 -16.799 -1.372 1.00 30.31 C ATOM 755 C LEU A 49 15.664 -17.369 -0.904 1.00 44.50 C ATOM 756 O LEU A 49 14.861 -17.834 -1.711 1.00 70.13 O ATOM 757 CB LEU A 49 17.145 -15.352 -0.897 1.00 72.34 C ATOM 758 CG LEU A 49 18.554 -14.762 -0.963 1.00 21.43 C ATOM 759 CD1 LEU A 49 18.869 -14.287 -2.373 1.00 21.34 C ATOM 760 CD2 LEU A 49 18.701 -13.620 0.032 1.00 32.31 C ATOM 0 H LEU A 49 16.241 -16.710 -3.324 1.00 44.55 H new ATOM 0 HA LEU A 49 17.802 -17.398 -0.940 1.00 30.31 H new ATOM 0 HB2 LEU A 49 16.482 -14.726 -1.495 1.00 72.34 H new ATOM 0 HB3 LEU A 49 16.796 -15.292 0.134 1.00 72.34 H new ATOM 0 HG LEU A 49 19.267 -15.543 -0.698 1.00 21.43 H new ATOM 0 HD11 LEU A 49 19.876 -13.870 -2.400 1.00 21.34 H new ATOM 0 HD12 LEU A 49 18.806 -15.128 -3.063 1.00 21.34 H new ATOM 0 HD13 LEU A 49 18.151 -13.521 -2.668 1.00 21.34 H new ATOM 0 HD21 LEU A 49 19.710 -13.212 -0.029 1.00 32.31 H new ATOM 0 HD22 LEU A 49 17.979 -12.838 -0.202 1.00 32.31 H new ATOM 0 HD23 LEU A 49 18.520 -13.991 1.041 1.00 32.31 H new ATOM 772 N GLU A 50 15.434 -17.325 0.405 1.00 64.54 N ATOM 773 CA GLU A 50 14.195 -17.836 0.979 1.00 40.01 C ATOM 774 C GLU A 50 13.883 -17.143 2.302 1.00 32.43 C ATOM 775 O GLU A 50 14.781 -16.867 3.098 1.00 55.50 O ATOM 776 CB GLU A 50 14.291 -19.348 1.192 1.00 34.11 C ATOM 777 CG GLU A 50 13.603 -20.160 0.108 1.00 61.44 C ATOM 778 CD GLU A 50 13.110 -21.504 0.609 1.00 12.30 C ATOM 779 OE1 GLU A 50 13.930 -22.440 0.703 1.00 62.31 O ATOM 780 OE2 GLU A 50 11.903 -21.618 0.908 1.00 55.20 O ATOM 0 H GLU A 50 16.089 -16.941 1.087 1.00 64.54 H new ATOM 0 HA GLU A 50 13.386 -17.626 0.279 1.00 40.01 H new ATOM 0 HB2 GLU A 50 15.342 -19.634 1.237 1.00 34.11 H new ATOM 0 HB3 GLU A 50 13.851 -19.599 2.157 1.00 34.11 H new ATOM 0 HG2 GLU A 50 12.760 -19.592 -0.286 1.00 61.44 H new ATOM 0 HG3 GLU A 50 14.296 -20.317 -0.718 1.00 61.44 H new ATOM 787 N VAL A 51 12.603 -16.866 2.531 1.00 41.44 N ATOM 788 CA VAL A 51 12.171 -16.206 3.757 1.00 50.00 C ATOM 789 C VAL A 51 11.740 -17.225 4.806 1.00 10.53 C ATOM 790 O VAL A 51 11.147 -18.252 4.481 1.00 24.44 O ATOM 791 CB VAL A 51 11.006 -15.235 3.491 1.00 15.42 C ATOM 792 CG1 VAL A 51 9.891 -15.934 2.728 1.00 50.21 C ATOM 793 CG2 VAL A 51 10.486 -14.656 4.799 1.00 70.13 C ATOM 0 H VAL A 51 11.847 -17.089 1.883 1.00 41.44 H new ATOM 0 HA VAL A 51 13.025 -15.642 4.131 1.00 50.00 H new ATOM 0 HB VAL A 51 11.374 -14.413 2.877 1.00 15.42 H new ATOM 0 HG11 VAL A 51 9.077 -15.232 2.549 1.00 50.21 H new ATOM 0 HG12 VAL A 51 10.274 -16.296 1.774 1.00 50.21 H new ATOM 0 HG13 VAL A 51 9.522 -16.776 3.313 1.00 50.21 H new ATOM 0 HG21 VAL A 51 9.663 -13.972 4.592 1.00 70.13 H new ATOM 0 HG22 VAL A 51 10.134 -15.464 5.440 1.00 70.13 H new ATOM 0 HG23 VAL A 51 11.288 -14.117 5.303 1.00 70.13 H new ATOM 803 N ASN A 52 12.042 -16.931 6.067 1.00 53.10 N ATOM 804 CA ASN A 52 11.685 -17.822 7.165 1.00 2.55 C ATOM 805 C ASN A 52 10.409 -17.350 7.856 1.00 71.13 C ATOM 806 O ASN A 52 10.338 -16.225 8.352 1.00 34.23 O ATOM 807 CB ASN A 52 12.828 -17.898 8.179 1.00 4.55 C ATOM 808 CG ASN A 52 12.525 -18.847 9.322 1.00 24.23 C ATOM 809 OD1 ASN A 52 11.525 -19.564 9.300 1.00 53.12 O ATOM 810 ND2 ASN A 52 13.391 -18.856 10.329 1.00 22.32 N ATOM 0 H ASN A 52 12.532 -16.084 6.353 1.00 53.10 H new ATOM 0 HA ASN A 52 11.507 -18.815 6.751 1.00 2.55 H new ATOM 0 HB2 ASN A 52 13.738 -18.222 7.673 1.00 4.55 H new ATOM 0 HB3 ASN A 52 13.022 -16.903 8.579 1.00 4.55 H new ATOM 0 HD21 ASN A 52 13.240 -19.474 11.126 1.00 22.32 H new ATOM 0 HD22 ASN A 52 14.207 -18.244 10.305 1.00 22.32 H new ATOM 817 N LEU A 53 9.403 -18.218 7.884 1.00 42.44 N ATOM 818 CA LEU A 53 8.129 -17.891 8.514 1.00 74.23 C ATOM 819 C LEU A 53 8.264 -17.860 10.033 1.00 62.13 C ATOM 820 O LEU A 53 7.337 -17.465 10.740 1.00 64.25 O ATOM 821 CB LEU A 53 7.061 -18.908 8.106 1.00 13.23 C ATOM 822 CG LEU A 53 6.370 -18.655 6.765 1.00 25.44 C ATOM 823 CD1 LEU A 53 6.681 -19.776 5.786 1.00 63.33 C ATOM 824 CD2 LEU A 53 4.868 -18.514 6.957 1.00 15.15 C ATOM 0 H LEU A 53 9.445 -19.153 7.478 1.00 42.44 H new ATOM 0 HA LEU A 53 7.828 -16.900 8.175 1.00 74.23 H new ATOM 0 HB2 LEU A 53 7.522 -19.895 8.074 1.00 13.23 H new ATOM 0 HB3 LEU A 53 6.299 -18.937 8.885 1.00 13.23 H new ATOM 0 HG LEU A 53 6.752 -17.722 6.351 1.00 25.44 H new ATOM 0 HD11 LEU A 53 6.181 -19.580 4.837 1.00 63.33 H new ATOM 0 HD12 LEU A 53 7.758 -19.830 5.625 1.00 63.33 H new ATOM 0 HD13 LEU A 53 6.327 -20.723 6.193 1.00 63.33 H new ATOM 0 HD21 LEU A 53 4.393 -18.334 5.992 1.00 15.15 H new ATOM 0 HD22 LEU A 53 4.469 -19.430 7.393 1.00 15.15 H new ATOM 0 HD23 LEU A 53 4.663 -17.676 7.624 1.00 15.15 H new ATOM 836 N GLN A 54 9.426 -18.277 10.527 1.00 75.14 N ATOM 837 CA GLN A 54 9.682 -18.295 11.962 1.00 63.22 C ATOM 838 C GLN A 54 9.715 -16.879 12.527 1.00 74.11 C ATOM 839 O GLN A 54 8.923 -16.532 13.402 1.00 51.50 O ATOM 840 CB GLN A 54 11.005 -19.005 12.256 1.00 43.44 C ATOM 841 CG GLN A 54 11.087 -19.583 13.659 1.00 11.11 C ATOM 842 CD GLN A 54 11.343 -21.077 13.661 1.00 73.23 C ATOM 843 OE1 GLN A 54 10.497 -21.864 13.235 1.00 55.12 O ATOM 844 NE2 GLN A 54 12.514 -21.477 14.141 1.00 64.02 N ATOM 0 H GLN A 54 10.204 -18.606 9.955 1.00 75.14 H new ATOM 0 HA GLN A 54 8.870 -18.840 12.444 1.00 63.22 H new ATOM 0 HB2 GLN A 54 11.145 -19.808 11.533 1.00 43.44 H new ATOM 0 HB3 GLN A 54 11.825 -18.301 12.114 1.00 43.44 H new ATOM 0 HG2 GLN A 54 11.883 -19.081 14.209 1.00 11.11 H new ATOM 0 HG3 GLN A 54 10.156 -19.377 14.188 1.00 11.11 H new ATOM 0 HE21 GLN A 54 13.186 -20.791 14.484 1.00 64.02 H new ATOM 0 HE22 GLN A 54 12.742 -22.471 14.167 1.00 64.02 H new ATOM 853 N ASN A 55 10.636 -16.066 12.021 1.00 61.04 N ATOM 854 CA ASN A 55 10.772 -14.687 12.476 1.00 61.21 C ATOM 855 C ASN A 55 10.503 -13.709 11.337 1.00 53.05 C ATOM 856 O ASN A 55 10.112 -12.565 11.566 1.00 63.13 O ATOM 857 CB ASN A 55 12.173 -14.452 13.045 1.00 51.14 C ATOM 858 CG ASN A 55 12.316 -14.969 14.463 1.00 75.21 C ATOM 859 OD1 ASN A 55 11.743 -14.411 15.399 1.00 23.44 O ATOM 860 ND2 ASN A 55 13.082 -16.041 14.627 1.00 2.04 N ATOM 0 H ASN A 55 11.299 -16.338 11.296 1.00 61.04 H new ATOM 0 HA ASN A 55 10.035 -14.515 13.260 1.00 61.21 H new ATOM 0 HB2 ASN A 55 12.908 -14.942 12.407 1.00 51.14 H new ATOM 0 HB3 ASN A 55 12.395 -13.385 13.026 1.00 51.14 H new ATOM 0 HD21 ASN A 55 13.215 -16.435 15.558 1.00 2.04 H new ATOM 0 HD22 ASN A 55 13.537 -16.470 13.822 1.00 2.04 H new ATOM 867 N GLY A 56 10.714 -14.168 10.107 1.00 73.43 N ATOM 868 CA GLY A 56 10.488 -13.322 8.950 1.00 43.13 C ATOM 869 C GLY A 56 11.781 -12.886 8.289 1.00 23.53 C ATOM 870 O GLY A 56 11.779 -12.430 7.146 1.00 73.25 O ATOM 0 H GLY A 56 11.038 -15.111 9.891 1.00 73.43 H new ATOM 0 HA2 GLY A 56 9.876 -13.859 8.225 1.00 43.13 H new ATOM 0 HA3 GLY A 56 9.923 -12.440 9.253 1.00 43.13 H new ATOM 874 N ILE A 57 12.888 -13.026 9.011 1.00 44.43 N ATOM 875 CA ILE A 57 14.194 -12.642 8.487 1.00 32.35 C ATOM 876 C ILE A 57 14.487 -13.351 7.170 1.00 44.05 C ATOM 877 O ILE A 57 14.040 -14.476 6.944 1.00 70.22 O ATOM 878 CB ILE A 57 15.318 -12.961 9.490 1.00 21.45 C ATOM 879 CG1 ILE A 57 16.649 -12.388 8.998 1.00 75.31 C ATOM 880 CG2 ILE A 57 15.428 -14.464 9.702 1.00 4.12 C ATOM 881 CD1 ILE A 57 16.609 -10.897 8.748 1.00 14.25 C ATOM 0 H ILE A 57 12.907 -13.402 9.959 1.00 44.43 H new ATOM 0 HA ILE A 57 14.163 -11.566 8.318 1.00 32.35 H new ATOM 0 HB ILE A 57 15.075 -12.496 10.445 1.00 21.45 H new ATOM 0 HG12 ILE A 57 17.423 -12.604 9.735 1.00 75.31 H new ATOM 0 HG13 ILE A 57 16.935 -12.895 8.077 1.00 75.31 H new ATOM 0 HG21 ILE A 57 16.227 -14.674 10.413 1.00 4.12 H new ATOM 0 HG22 ILE A 57 14.485 -14.846 10.092 1.00 4.12 H new ATOM 0 HG23 ILE A 57 15.651 -14.950 8.752 1.00 4.12 H new ATOM 0 HD11 ILE A 57 17.586 -10.560 8.402 1.00 14.25 H new ATOM 0 HD12 ILE A 57 15.859 -10.675 7.989 1.00 14.25 H new ATOM 0 HD13 ILE A 57 16.354 -10.380 9.673 1.00 14.25 H new ATOM 893 N LEU A 58 15.243 -12.686 6.303 1.00 62.34 N ATOM 894 CA LEU A 58 15.599 -13.253 5.006 1.00 3.03 C ATOM 895 C LEU A 58 16.984 -13.891 5.053 1.00 73.51 C ATOM 896 O LEU A 58 17.971 -13.235 5.386 1.00 73.12 O ATOM 897 CB LEU A 58 15.560 -12.170 3.926 1.00 25.33 C ATOM 898 CG LEU A 58 15.149 -12.632 2.528 1.00 42.22 C ATOM 899 CD1 LEU A 58 16.166 -13.616 1.970 1.00 13.00 C ATOM 900 CD2 LEU A 58 13.762 -13.256 2.559 1.00 55.55 C ATOM 0 H LEU A 58 15.621 -11.754 6.474 1.00 62.34 H new ATOM 0 HA LEU A 58 14.871 -14.027 4.762 1.00 3.03 H new ATOM 0 HB2 LEU A 58 14.870 -11.390 4.247 1.00 25.33 H new ATOM 0 HB3 LEU A 58 16.548 -11.714 3.861 1.00 25.33 H new ATOM 0 HG LEU A 58 15.119 -11.761 1.873 1.00 42.22 H new ATOM 0 HD11 LEU A 58 15.857 -13.934 0.974 1.00 13.00 H new ATOM 0 HD12 LEU A 58 17.143 -13.135 1.910 1.00 13.00 H new ATOM 0 HD13 LEU A 58 16.229 -14.485 2.625 1.00 13.00 H new ATOM 0 HD21 LEU A 58 13.486 -13.579 1.555 1.00 55.55 H new ATOM 0 HD22 LEU A 58 13.765 -14.116 3.229 1.00 55.55 H new ATOM 0 HD23 LEU A 58 13.040 -12.521 2.915 1.00 55.55 H new ATOM 912 N PHE A 59 17.049 -15.175 4.715 1.00 64.00 N ATOM 913 CA PHE A 59 18.313 -15.902 4.717 1.00 63.41 C ATOM 914 C PHE A 59 18.716 -16.297 3.299 1.00 72.11 C ATOM 915 O PHE A 59 17.881 -16.345 2.395 1.00 3.31 O ATOM 916 CB PHE A 59 18.206 -17.151 5.595 1.00 43.10 C ATOM 917 CG PHE A 59 17.096 -18.077 5.187 1.00 24.13 C ATOM 918 CD1 PHE A 59 15.813 -17.901 5.679 1.00 2.22 C ATOM 919 CD2 PHE A 59 17.337 -19.124 4.313 1.00 75.55 C ATOM 920 CE1 PHE A 59 14.789 -18.751 5.306 1.00 64.22 C ATOM 921 CE2 PHE A 59 16.317 -19.978 3.935 1.00 12.33 C ATOM 922 CZ PHE A 59 15.042 -19.792 4.433 1.00 10.44 C ATOM 0 H PHE A 59 16.242 -15.733 4.437 1.00 64.00 H new ATOM 0 HA PHE A 59 19.081 -15.244 5.124 1.00 63.41 H new ATOM 0 HB2 PHE A 59 19.151 -17.692 5.560 1.00 43.10 H new ATOM 0 HB3 PHE A 59 18.052 -16.846 6.630 1.00 43.10 H new ATOM 0 HD1 PHE A 59 15.610 -17.090 6.362 1.00 2.22 H new ATOM 0 HD2 PHE A 59 18.332 -19.275 3.922 1.00 75.55 H new ATOM 0 HE1 PHE A 59 13.793 -18.602 5.696 1.00 64.22 H new ATOM 0 HE2 PHE A 59 16.517 -20.790 3.251 1.00 12.33 H new ATOM 0 HZ PHE A 59 14.244 -20.459 4.141 1.00 10.44 H new ATOM 932 N VAL A 60 20.001 -16.579 3.112 1.00 63.11 N ATOM 933 CA VAL A 60 20.516 -16.970 1.805 1.00 72.30 C ATOM 934 C VAL A 60 20.043 -18.369 1.424 1.00 10.24 C ATOM 935 O VAL A 60 19.936 -19.251 2.274 1.00 31.55 O ATOM 936 CB VAL A 60 22.055 -16.935 1.774 1.00 4.24 C ATOM 937 CG1 VAL A 60 22.581 -17.618 0.521 1.00 34.10 C ATOM 938 CG2 VAL A 60 22.557 -15.501 1.860 1.00 74.13 C ATOM 0 H VAL A 60 20.705 -16.544 3.849 1.00 63.11 H new ATOM 0 HA VAL A 60 20.129 -16.249 1.084 1.00 72.30 H new ATOM 0 HB VAL A 60 22.430 -17.480 2.640 1.00 4.24 H new ATOM 0 HG11 VAL A 60 23.670 -17.583 0.518 1.00 34.10 H new ATOM 0 HG12 VAL A 60 22.251 -18.657 0.507 1.00 34.10 H new ATOM 0 HG13 VAL A 60 22.199 -17.104 -0.361 1.00 34.10 H new ATOM 0 HG21 VAL A 60 23.647 -15.495 1.837 1.00 74.13 H new ATOM 0 HG22 VAL A 60 22.173 -14.930 1.015 1.00 74.13 H new ATOM 0 HG23 VAL A 60 22.211 -15.050 2.790 1.00 74.13 H new ATOM 948 N ASN A 61 19.762 -18.563 0.140 1.00 34.20 N ATOM 949 CA ASN A 61 19.300 -19.855 -0.354 1.00 72.32 C ATOM 950 C ASN A 61 19.829 -20.120 -1.761 1.00 35.35 C ATOM 951 O ASN A 61 19.108 -20.626 -2.621 1.00 32.23 O ATOM 952 CB ASN A 61 17.771 -19.908 -0.354 1.00 33.13 C ATOM 953 CG ASN A 61 17.241 -21.309 -0.115 1.00 14.32 C ATOM 954 OD1 ASN A 61 17.001 -21.708 1.025 1.00 51.41 O ATOM 955 ND2 ASN A 61 17.055 -22.063 -1.192 1.00 43.31 N ATOM 0 H ASN A 61 19.846 -17.843 -0.577 1.00 34.20 H new ATOM 0 HA ASN A 61 19.683 -20.628 0.311 1.00 72.32 H new ATOM 0 HB2 ASN A 61 17.387 -19.241 0.418 1.00 33.13 H new ATOM 0 HB3 ASN A 61 17.397 -19.539 -1.309 1.00 33.13 H new ATOM 0 HD21 ASN A 61 16.700 -23.014 -1.094 1.00 43.31 H new ATOM 0 HD22 ASN A 61 17.267 -21.691 -2.118 1.00 43.31 H new ATOM 962 N SER A 62 21.092 -19.776 -1.987 1.00 2.55 N ATOM 963 CA SER A 62 21.717 -19.973 -3.289 1.00 62.01 C ATOM 964 C SER A 62 23.194 -19.591 -3.247 1.00 32.54 C ATOM 965 O SER A 62 23.757 -19.365 -2.176 1.00 21.14 O ATOM 966 CB SER A 62 20.996 -19.146 -4.355 1.00 74.32 C ATOM 967 OG SER A 62 21.519 -17.831 -4.422 1.00 22.24 O ATOM 0 H SER A 62 21.703 -19.359 -1.285 1.00 2.55 H new ATOM 0 HA SER A 62 21.640 -21.030 -3.545 1.00 62.01 H new ATOM 0 HB2 SER A 62 21.098 -19.631 -5.326 1.00 74.32 H new ATOM 0 HB3 SER A 62 19.930 -19.106 -4.129 1.00 74.32 H new ATOM 0 HG SER A 62 20.961 -17.229 -3.887 1.00 22.24 H new ATOM 973 N ARG A 63 23.815 -19.522 -4.420 1.00 35.53 N ATOM 974 CA ARG A 63 25.226 -19.170 -4.518 1.00 12.23 C ATOM 975 C ARG A 63 25.396 -17.677 -4.786 1.00 71.44 C ATOM 976 O ARG A 63 24.915 -17.160 -5.795 1.00 45.22 O ATOM 977 CB ARG A 63 25.900 -19.979 -5.628 1.00 14.25 C ATOM 978 CG ARG A 63 25.649 -21.475 -5.529 1.00 5.34 C ATOM 979 CD ARG A 63 26.145 -22.036 -4.205 1.00 12.01 C ATOM 980 NE ARG A 63 25.046 -22.326 -3.288 1.00 33.30 N ATOM 981 CZ ARG A 63 25.214 -22.875 -2.090 1.00 74.41 C ATOM 982 NH1 ARG A 63 26.430 -23.192 -1.667 1.00 14.44 N ATOM 983 NH2 ARG A 63 24.164 -23.109 -1.313 1.00 12.11 N ATOM 0 H ARG A 63 23.363 -19.705 -5.316 1.00 35.53 H new ATOM 0 HA ARG A 63 25.701 -19.407 -3.566 1.00 12.23 H new ATOM 0 HB2 ARG A 63 25.543 -19.622 -6.594 1.00 14.25 H new ATOM 0 HB3 ARG A 63 26.974 -19.797 -5.598 1.00 14.25 H new ATOM 0 HG2 ARG A 63 24.582 -21.674 -5.633 1.00 5.34 H new ATOM 0 HG3 ARG A 63 26.150 -21.985 -6.352 1.00 5.34 H new ATOM 0 HD2 ARG A 63 26.715 -22.947 -4.388 1.00 12.01 H new ATOM 0 HD3 ARG A 63 26.826 -21.322 -3.741 1.00 12.01 H new ATOM 0 HE ARG A 63 24.098 -22.094 -3.584 1.00 33.30 H new ATOM 0 HH11 ARG A 63 27.239 -23.014 -2.262 1.00 14.44 H new ATOM 0 HH12 ARG A 63 26.556 -23.613 -0.747 1.00 14.44 H new ATOM 0 HH21 ARG A 63 23.227 -22.867 -1.635 1.00 12.11 H new ATOM 0 HH22 ARG A 63 24.294 -23.531 -0.393 1.00 12.11 H new ATOM 997 N ILE A 64 26.081 -16.992 -3.877 1.00 64.35 N ATOM 998 CA ILE A 64 26.315 -15.560 -4.017 1.00 71.31 C ATOM 999 C ILE A 64 27.775 -15.271 -4.349 1.00 71.31 C ATOM 1000 O ILE A 64 28.108 -14.195 -4.845 1.00 1.33 O ATOM 1001 CB ILE A 64 25.932 -14.800 -2.734 1.00 14.31 C ATOM 1002 CG1 ILE A 64 24.419 -14.862 -2.511 1.00 2.23 C ATOM 1003 CG2 ILE A 64 26.402 -13.355 -2.814 1.00 72.01 C ATOM 1004 CD1 ILE A 64 23.948 -16.176 -1.930 1.00 34.34 C ATOM 0 H ILE A 64 26.484 -17.405 -3.036 1.00 64.35 H new ATOM 0 HA ILE A 64 25.684 -15.216 -4.836 1.00 71.31 H new ATOM 0 HB ILE A 64 26.425 -15.276 -1.886 1.00 14.31 H new ATOM 0 HG12 ILE A 64 24.125 -14.052 -1.843 1.00 2.23 H new ATOM 0 HG13 ILE A 64 23.912 -14.692 -3.461 1.00 2.23 H new ATOM 0 HG21 ILE A 64 26.124 -12.831 -1.900 1.00 72.01 H new ATOM 0 HG22 ILE A 64 27.485 -13.331 -2.931 1.00 72.01 H new ATOM 0 HG23 ILE A 64 25.934 -12.867 -3.669 1.00 72.01 H new ATOM 0 HD11 ILE A 64 22.866 -16.149 -1.799 1.00 34.34 H new ATOM 0 HD12 ILE A 64 24.211 -16.988 -2.607 1.00 34.34 H new ATOM 0 HD13 ILE A 64 24.427 -16.339 -0.964 1.00 34.34 H new ATOM 1016 N ASP A 65 28.641 -16.240 -4.074 1.00 63.12 N ATOM 1017 CA ASP A 65 30.066 -16.091 -4.346 1.00 62.45 C ATOM 1018 C ASP A 65 30.296 -15.510 -5.738 1.00 72.52 C ATOM 1019 O ASP A 65 29.592 -15.854 -6.689 1.00 5.54 O ATOM 1020 CB ASP A 65 30.775 -17.441 -4.220 1.00 72.04 C ATOM 1021 CG ASP A 65 32.247 -17.293 -3.890 1.00 30.31 C ATOM 1022 OD1 ASP A 65 32.799 -16.195 -4.115 1.00 33.53 O ATOM 1023 OD2 ASP A 65 32.847 -18.275 -3.406 1.00 23.23 O ATOM 0 H ASP A 65 28.381 -17.137 -3.663 1.00 63.12 H new ATOM 0 HA ASP A 65 30.481 -15.401 -3.611 1.00 62.45 H new ATOM 0 HB2 ASP A 65 30.289 -18.032 -3.444 1.00 72.04 H new ATOM 0 HB3 ASP A 65 30.669 -17.993 -5.154 1.00 72.04 H new ATOM 1028 N ARG A 66 31.284 -14.629 -5.850 1.00 53.51 N ATOM 1029 CA ARG A 66 31.604 -13.998 -7.125 1.00 24.11 C ATOM 1030 C ARG A 66 31.788 -15.046 -8.219 1.00 31.13 C ATOM 1031 O ARG A 66 31.569 -14.771 -9.398 1.00 12.22 O ATOM 1032 CB ARG A 66 32.873 -13.153 -6.995 1.00 60.15 C ATOM 1033 CG ARG A 66 33.991 -13.845 -6.232 1.00 74.25 C ATOM 1034 CD ARG A 66 35.311 -13.764 -6.983 1.00 73.30 C ATOM 1035 NE ARG A 66 36.281 -14.738 -6.490 1.00 61.12 N ATOM 1036 CZ ARG A 66 37.423 -15.016 -7.110 1.00 33.22 C ATOM 1037 NH1 ARG A 66 37.735 -14.397 -8.240 1.00 24.12 N ATOM 1038 NH2 ARG A 66 38.255 -15.915 -6.599 1.00 14.23 N ATOM 0 H ARG A 66 31.877 -14.336 -5.074 1.00 53.51 H new ATOM 0 HA ARG A 66 30.771 -13.351 -7.401 1.00 24.11 H new ATOM 0 HB2 ARG A 66 33.231 -12.895 -7.992 1.00 60.15 H new ATOM 0 HB3 ARG A 66 32.627 -12.218 -6.492 1.00 60.15 H new ATOM 0 HG2 ARG A 66 34.101 -13.386 -5.250 1.00 74.25 H new ATOM 0 HG3 ARG A 66 33.728 -14.890 -6.068 1.00 74.25 H new ATOM 0 HD2 ARG A 66 35.135 -13.933 -8.045 1.00 73.30 H new ATOM 0 HD3 ARG A 66 35.723 -12.760 -6.884 1.00 73.30 H new ATOM 0 HE ARG A 66 36.070 -15.232 -5.623 1.00 61.12 H new ATOM 0 HH11 ARG A 66 37.098 -13.706 -8.635 1.00 24.12 H new ATOM 0 HH12 ARG A 66 38.612 -14.612 -8.714 1.00 24.12 H new ATOM 0 HH21 ARG A 66 38.018 -16.393 -5.730 1.00 14.23 H new ATOM 0 HH22 ARG A 66 39.131 -16.128 -7.076 1.00 14.23 H new ATOM 1052 N GLU A 67 32.192 -16.248 -7.818 1.00 52.32 N ATOM 1053 CA GLU A 67 32.406 -17.336 -8.765 1.00 51.21 C ATOM 1054 C GLU A 67 31.085 -17.791 -9.379 1.00 10.31 C ATOM 1055 O GLU A 67 30.977 -17.950 -10.594 1.00 74.52 O ATOM 1056 CB GLU A 67 33.093 -18.515 -8.074 1.00 33.43 C ATOM 1057 CG GLU A 67 34.327 -19.016 -8.806 1.00 15.31 C ATOM 1058 CD GLU A 67 34.729 -20.415 -8.382 1.00 4.31 C ATOM 1059 OE1 GLU A 67 33.864 -21.314 -8.404 1.00 33.31 O ATOM 1060 OE2 GLU A 67 35.911 -20.610 -8.028 1.00 42.52 O ATOM 0 H GLU A 67 32.377 -16.492 -6.845 1.00 52.32 H new ATOM 0 HA GLU A 67 33.050 -16.967 -9.564 1.00 51.21 H new ATOM 0 HB2 GLU A 67 33.376 -18.218 -7.064 1.00 33.43 H new ATOM 0 HB3 GLU A 67 32.380 -19.334 -7.978 1.00 33.43 H new ATOM 0 HG2 GLU A 67 34.137 -19.006 -9.879 1.00 15.31 H new ATOM 0 HG3 GLU A 67 35.156 -18.333 -8.623 1.00 15.31 H new ATOM 1067 N GLU A 68 30.084 -17.998 -8.529 1.00 2.33 N ATOM 1068 CA GLU A 68 28.771 -18.436 -8.987 1.00 43.25 C ATOM 1069 C GLU A 68 27.942 -17.251 -9.476 1.00 24.23 C ATOM 1070 O GLU A 68 27.471 -17.236 -10.614 1.00 12.45 O ATOM 1071 CB GLU A 68 28.030 -19.162 -7.863 1.00 71.33 C ATOM 1072 CG GLU A 68 28.443 -20.615 -7.701 1.00 61.44 C ATOM 1073 CD GLU A 68 28.076 -21.464 -8.903 1.00 51.24 C ATOM 1074 OE1 GLU A 68 26.954 -22.012 -8.922 1.00 14.45 O ATOM 1075 OE2 GLU A 68 28.910 -21.580 -9.825 1.00 70.13 O ATOM 0 H GLU A 68 30.157 -17.869 -7.520 1.00 2.33 H new ATOM 0 HA GLU A 68 28.916 -19.124 -9.820 1.00 43.25 H new ATOM 0 HB2 GLU A 68 28.206 -18.636 -6.925 1.00 71.33 H new ATOM 0 HB3 GLU A 68 26.958 -19.117 -8.057 1.00 71.33 H new ATOM 0 HG2 GLU A 68 29.520 -20.667 -7.540 1.00 61.44 H new ATOM 0 HG3 GLU A 68 27.967 -21.027 -6.811 1.00 61.44 H new ATOM 1082 N LEU A 69 27.768 -16.261 -8.608 1.00 4.24 N ATOM 1083 CA LEU A 69 26.996 -15.071 -8.949 1.00 20.23 C ATOM 1084 C LEU A 69 27.414 -14.522 -10.309 1.00 71.21 C ATOM 1085 O LEU A 69 26.698 -14.675 -11.299 1.00 73.40 O ATOM 1086 CB LEU A 69 27.176 -13.997 -7.875 1.00 45.31 C ATOM 1087 CG LEU A 69 25.896 -13.494 -7.206 1.00 64.34 C ATOM 1088 CD1 LEU A 69 26.195 -12.303 -6.309 1.00 30.40 C ATOM 1089 CD2 LEU A 69 24.856 -13.127 -8.254 1.00 71.24 C ATOM 0 H LEU A 69 28.151 -16.258 -7.663 1.00 4.24 H new ATOM 0 HA LEU A 69 25.944 -15.353 -8.999 1.00 20.23 H new ATOM 0 HB2 LEU A 69 27.835 -14.392 -7.102 1.00 45.31 H new ATOM 0 HB3 LEU A 69 27.686 -13.145 -8.324 1.00 45.31 H new ATOM 0 HG LEU A 69 25.493 -14.296 -6.588 1.00 64.34 H new ATOM 0 HD11 LEU A 69 25.272 -11.959 -5.842 1.00 30.40 H new ATOM 0 HD12 LEU A 69 26.905 -12.599 -5.536 1.00 30.40 H new ATOM 0 HD13 LEU A 69 26.622 -11.497 -6.905 1.00 30.40 H new ATOM 0 HD21 LEU A 69 23.952 -12.771 -7.760 1.00 71.24 H new ATOM 0 HD22 LEU A 69 25.251 -12.342 -8.899 1.00 71.24 H new ATOM 0 HD23 LEU A 69 24.620 -14.005 -8.855 1.00 71.24 H new ATOM 1101 N CYS A 70 28.579 -13.884 -10.351 1.00 55.23 N ATOM 1102 CA CYS A 70 29.094 -13.313 -11.590 1.00 30.31 C ATOM 1103 C CYS A 70 30.594 -13.053 -11.486 1.00 61.53 C ATOM 1104 O CYS A 70 31.372 -13.504 -12.326 1.00 3.21 O ATOM 1105 CB CYS A 70 28.361 -12.011 -11.920 1.00 23.32 C ATOM 1106 SG CYS A 70 27.863 -11.047 -10.457 1.00 23.14 S ATOM 0 H CYS A 70 29.184 -13.749 -9.541 1.00 55.23 H new ATOM 0 HA CYS A 70 28.922 -14.032 -12.391 1.00 30.31 H new ATOM 0 HB2 CYS A 70 29.004 -11.393 -12.547 1.00 23.32 H new ATOM 0 HB3 CYS A 70 27.473 -12.245 -12.507 1.00 23.32 H new ATOM 1111 N GLY A 71 30.993 -12.323 -10.449 1.00 35.42 N ATOM 1112 CA GLY A 71 32.397 -12.016 -10.254 1.00 24.23 C ATOM 1113 C GLY A 71 32.958 -11.142 -11.358 1.00 25.22 C ATOM 1114 O GLY A 71 34.174 -10.993 -11.483 1.00 60.02 O ATOM 0 H GLY A 71 30.368 -11.939 -9.740 1.00 35.42 H new ATOM 0 HA2 GLY A 71 32.526 -11.513 -9.296 1.00 24.23 H new ATOM 0 HA3 GLY A 71 32.966 -12.945 -10.206 1.00 24.23 H new ATOM 1118 N ARG A 72 32.072 -10.564 -12.161 1.00 75.33 N ATOM 1119 CA ARG A 72 32.485 -9.703 -13.262 1.00 65.14 C ATOM 1120 C ARG A 72 32.798 -8.295 -12.764 1.00 34.24 C ATOM 1121 O ARG A 72 33.961 -7.905 -12.664 1.00 52.45 O ATOM 1122 CB ARG A 72 31.393 -9.646 -14.332 1.00 22.31 C ATOM 1123 CG ARG A 72 31.582 -10.659 -15.449 1.00 73.24 C ATOM 1124 CD ARG A 72 30.985 -10.163 -16.757 1.00 62.23 C ATOM 1125 NE ARG A 72 31.605 -10.798 -17.917 1.00 63.22 N ATOM 1126 CZ ARG A 72 31.349 -12.045 -18.297 1.00 23.12 C ATOM 1127 NH1 ARG A 72 30.490 -12.787 -17.612 1.00 55.32 N ATOM 1128 NH2 ARG A 72 31.953 -12.552 -19.364 1.00 24.43 N ATOM 0 H ARG A 72 31.062 -10.676 -12.070 1.00 75.33 H new ATOM 0 HA ARG A 72 33.390 -10.125 -13.699 1.00 65.14 H new ATOM 0 HB2 ARG A 72 30.425 -9.814 -13.860 1.00 22.31 H new ATOM 0 HB3 ARG A 72 31.369 -8.644 -14.761 1.00 22.31 H new ATOM 0 HG2 ARG A 72 32.645 -10.858 -15.585 1.00 73.24 H new ATOM 0 HG3 ARG A 72 31.114 -11.603 -15.169 1.00 73.24 H new ATOM 0 HD2 ARG A 72 29.913 -10.362 -16.765 1.00 62.23 H new ATOM 0 HD3 ARG A 72 31.109 -9.082 -16.826 1.00 62.23 H new ATOM 0 HE ARG A 72 32.271 -10.254 -18.466 1.00 63.22 H new ATOM 0 HH11 ARG A 72 30.024 -12.401 -16.791 1.00 55.32 H new ATOM 0 HH12 ARG A 72 30.295 -13.744 -17.906 1.00 55.32 H new ATOM 0 HH21 ARG A 72 32.615 -11.984 -19.893 1.00 24.43 H new ATOM 0 HH22 ARG A 72 31.756 -13.510 -19.655 1.00 24.43 H new ATOM 1142 N SER A 73 31.751 -7.538 -12.452 1.00 12.23 N ATOM 1143 CA SER A 73 31.913 -6.172 -11.967 1.00 52.14 C ATOM 1144 C SER A 73 32.152 -6.154 -10.461 1.00 34.43 C ATOM 1145 O SER A 73 31.783 -7.091 -9.752 1.00 2.40 O ATOM 1146 CB SER A 73 30.677 -5.337 -12.309 1.00 60.21 C ATOM 1147 OG SER A 73 30.986 -3.954 -12.332 1.00 61.44 O ATOM 0 H SER A 73 30.782 -7.847 -12.526 1.00 12.23 H new ATOM 0 HA SER A 73 32.783 -5.739 -12.460 1.00 52.14 H new ATOM 0 HB2 SER A 73 30.286 -5.642 -13.280 1.00 60.21 H new ATOM 0 HB3 SER A 73 29.893 -5.525 -11.576 1.00 60.21 H new ATOM 0 HG SER A 73 30.180 -3.442 -12.555 1.00 61.44 H new ATOM 1153 N ALA A 74 32.771 -5.082 -9.979 1.00 0.05 N ATOM 1154 CA ALA A 74 33.058 -4.940 -8.556 1.00 74.34 C ATOM 1155 C ALA A 74 31.784 -5.052 -7.726 1.00 33.42 C ATOM 1156 O ALA A 74 31.829 -5.407 -6.549 1.00 24.35 O ATOM 1157 CB ALA A 74 33.750 -3.613 -8.287 1.00 43.54 C ATOM 0 H ALA A 74 33.084 -4.299 -10.553 1.00 0.05 H new ATOM 0 HA ALA A 74 33.725 -5.751 -8.262 1.00 74.34 H new ATOM 0 HB1 ALA A 74 33.958 -3.521 -7.221 1.00 43.54 H new ATOM 0 HB2 ALA A 74 34.686 -3.571 -8.844 1.00 43.54 H new ATOM 0 HB3 ALA A 74 33.103 -2.795 -8.603 1.00 43.54 H new ATOM 1163 N GLU A 75 30.649 -4.747 -8.347 1.00 12.30 N ATOM 1164 CA GLU A 75 29.363 -4.812 -7.663 1.00 33.12 C ATOM 1165 C GLU A 75 28.296 -5.422 -8.567 1.00 54.34 C ATOM 1166 O GLU A 75 28.057 -4.942 -9.676 1.00 41.31 O ATOM 1167 CB GLU A 75 28.928 -3.416 -7.212 1.00 41.12 C ATOM 1168 CG GLU A 75 29.391 -3.057 -5.810 1.00 63.13 C ATOM 1169 CD GLU A 75 29.202 -1.587 -5.492 1.00 4.31 C ATOM 1170 OE1 GLU A 75 28.856 -0.819 -6.414 1.00 34.23 O ATOM 1171 OE2 GLU A 75 29.401 -1.204 -4.320 1.00 4.22 O ATOM 0 H GLU A 75 30.594 -4.453 -9.322 1.00 12.30 H new ATOM 0 HA GLU A 75 29.479 -5.449 -6.786 1.00 33.12 H new ATOM 0 HB2 GLU A 75 29.318 -2.679 -7.914 1.00 41.12 H new ATOM 0 HB3 GLU A 75 27.841 -3.352 -7.254 1.00 41.12 H new ATOM 0 HG2 GLU A 75 28.840 -3.656 -5.085 1.00 63.13 H new ATOM 0 HG3 GLU A 75 30.444 -3.316 -5.702 1.00 63.13 H new ATOM 1178 N CYS A 76 27.657 -6.483 -8.087 1.00 13.14 N ATOM 1179 CA CYS A 76 26.616 -7.160 -8.850 1.00 72.32 C ATOM 1180 C CYS A 76 25.250 -6.967 -8.198 1.00 32.32 C ATOM 1181 O CYS A 76 25.123 -7.012 -6.974 1.00 72.23 O ATOM 1182 CB CYS A 76 26.930 -8.653 -8.969 1.00 4.15 C ATOM 1183 SG CYS A 76 27.418 -9.180 -10.643 1.00 1.52 S ATOM 0 H CYS A 76 27.842 -6.893 -7.172 1.00 13.14 H new ATOM 0 HA CYS A 76 26.588 -6.721 -9.847 1.00 72.32 H new ATOM 0 HB2 CYS A 76 27.732 -8.901 -8.274 1.00 4.15 H new ATOM 0 HB3 CYS A 76 26.053 -9.223 -8.661 1.00 4.15 H new ATOM 1188 N SER A 77 24.231 -6.753 -9.024 1.00 13.22 N ATOM 1189 CA SER A 77 22.875 -6.549 -8.528 1.00 34.40 C ATOM 1190 C SER A 77 22.022 -7.795 -8.751 1.00 1.10 C ATOM 1191 O SER A 77 22.269 -8.572 -9.674 1.00 54.31 O ATOM 1192 CB SER A 77 22.231 -5.346 -9.220 1.00 71.40 C ATOM 1193 OG SER A 77 20.841 -5.550 -9.410 1.00 25.34 O ATOM 0 H SER A 77 24.319 -6.716 -10.040 1.00 13.22 H new ATOM 0 HA SER A 77 22.932 -6.355 -7.457 1.00 34.40 H new ATOM 0 HB2 SER A 77 22.392 -4.449 -8.621 1.00 71.40 H new ATOM 0 HB3 SER A 77 22.712 -5.176 -10.183 1.00 71.40 H new ATOM 0 HG SER A 77 20.453 -4.767 -9.853 1.00 25.34 H new ATOM 1199 N ILE A 78 21.019 -7.978 -7.899 1.00 40.21 N ATOM 1200 CA ILE A 78 20.129 -9.128 -8.003 1.00 42.41 C ATOM 1201 C ILE A 78 18.668 -8.702 -7.906 1.00 71.32 C ATOM 1202 O ILE A 78 18.304 -7.879 -7.066 1.00 21.13 O ATOM 1203 CB ILE A 78 20.423 -10.168 -6.906 1.00 62.03 C ATOM 1204 CG1 ILE A 78 21.891 -10.598 -6.961 1.00 35.10 C ATOM 1205 CG2 ILE A 78 19.506 -11.372 -7.059 1.00 65.55 C ATOM 1206 CD1 ILE A 78 22.754 -9.936 -5.910 1.00 51.32 C ATOM 0 H ILE A 78 20.802 -7.345 -7.129 1.00 40.21 H new ATOM 0 HA ILE A 78 20.309 -9.580 -8.978 1.00 42.41 H new ATOM 0 HB ILE A 78 20.234 -9.713 -5.934 1.00 62.03 H new ATOM 0 HG12 ILE A 78 21.949 -11.680 -6.839 1.00 35.10 H new ATOM 0 HG13 ILE A 78 22.292 -10.367 -7.948 1.00 35.10 H new ATOM 0 HG21 ILE A 78 19.726 -12.098 -6.277 1.00 65.55 H new ATOM 0 HG22 ILE A 78 18.468 -11.051 -6.975 1.00 65.55 H new ATOM 0 HG23 ILE A 78 19.667 -11.830 -8.035 1.00 65.55 H new ATOM 0 HD11 ILE A 78 23.781 -10.287 -6.008 1.00 51.32 H new ATOM 0 HD12 ILE A 78 22.726 -8.855 -6.045 1.00 51.32 H new ATOM 0 HD13 ILE A 78 22.378 -10.188 -4.919 1.00 51.32 H new ATOM 1218 N HIS A 79 17.833 -9.270 -8.771 1.00 23.41 N ATOM 1219 CA HIS A 79 16.410 -8.952 -8.782 1.00 10.15 C ATOM 1220 C HIS A 79 15.578 -10.168 -8.385 1.00 62.02 C ATOM 1221 O HIS A 79 15.882 -11.296 -8.777 1.00 41.41 O ATOM 1222 CB HIS A 79 15.986 -8.459 -10.165 1.00 44.15 C ATOM 1223 CG HIS A 79 16.923 -7.449 -10.754 1.00 61.31 C ATOM 1224 ND1 HIS A 79 17.489 -7.587 -12.004 1.00 5.02 N ATOM 1225 CD2 HIS A 79 17.391 -6.280 -10.258 1.00 35.14 C ATOM 1226 CE1 HIS A 79 18.266 -6.547 -12.250 1.00 22.03 C ATOM 1227 NE2 HIS A 79 18.223 -5.739 -11.206 1.00 2.21 N ATOM 0 H HIS A 79 18.118 -9.953 -9.473 1.00 23.41 H new ATOM 0 HA HIS A 79 16.235 -8.160 -8.053 1.00 10.15 H new ATOM 0 HB2 HIS A 79 15.914 -9.312 -10.839 1.00 44.15 H new ATOM 0 HB3 HIS A 79 14.990 -8.022 -10.096 1.00 44.15 H new ATOM 0 HD2 HIS A 79 17.154 -5.852 -9.295 1.00 35.14 H new ATOM 0 HE1 HIS A 79 18.839 -6.385 -13.151 1.00 22.03 H new ATOM 0 HE2 HIS A 79 18.726 -4.856 -11.119 1.00 2.21 H new ATOM 1235 N LEU A 80 14.529 -9.932 -7.606 1.00 33.22 N ATOM 1236 CA LEU A 80 13.653 -11.008 -7.155 1.00 72.55 C ATOM 1237 C LEU A 80 12.207 -10.531 -7.061 1.00 4.32 C ATOM 1238 O LEU A 80 11.947 -9.338 -6.902 1.00 64.53 O ATOM 1239 CB LEU A 80 14.118 -11.536 -5.797 1.00 34.20 C ATOM 1240 CG LEU A 80 13.240 -12.614 -5.160 1.00 24.50 C ATOM 1241 CD1 LEU A 80 14.082 -13.556 -4.313 1.00 3.34 C ATOM 1242 CD2 LEU A 80 12.139 -11.980 -4.322 1.00 65.33 C ATOM 0 H LEU A 80 14.264 -9.005 -7.273 1.00 33.22 H new ATOM 0 HA LEU A 80 13.703 -11.814 -7.887 1.00 72.55 H new ATOM 0 HB2 LEU A 80 15.125 -11.936 -5.911 1.00 34.20 H new ATOM 0 HB3 LEU A 80 14.185 -10.695 -5.106 1.00 34.20 H new ATOM 0 HG LEU A 80 12.774 -13.193 -5.957 1.00 24.50 H new ATOM 0 HD11 LEU A 80 13.441 -14.316 -3.868 1.00 3.34 H new ATOM 0 HD12 LEU A 80 14.833 -14.037 -4.940 1.00 3.34 H new ATOM 0 HD13 LEU A 80 14.577 -12.991 -3.523 1.00 3.34 H new ATOM 0 HD21 LEU A 80 11.524 -12.762 -3.877 1.00 65.33 H new ATOM 0 HD22 LEU A 80 12.585 -11.375 -3.532 1.00 65.33 H new ATOM 0 HD23 LEU A 80 11.518 -11.347 -4.956 1.00 65.33 H new ATOM 1254 N GLU A 81 11.271 -11.470 -7.157 1.00 5.11 N ATOM 1255 CA GLU A 81 9.852 -11.144 -7.080 1.00 43.25 C ATOM 1256 C GLU A 81 9.119 -12.116 -6.161 1.00 24.22 C ATOM 1257 O GLU A 81 9.005 -13.305 -6.460 1.00 53.23 O ATOM 1258 CB GLU A 81 9.224 -11.172 -8.475 1.00 51.23 C ATOM 1259 CG GLU A 81 8.965 -9.791 -9.054 1.00 73.00 C ATOM 1260 CD GLU A 81 9.660 -9.576 -10.384 1.00 63.02 C ATOM 1261 OE1 GLU A 81 10.830 -9.992 -10.517 1.00 3.34 O ATOM 1262 OE2 GLU A 81 9.034 -8.992 -11.293 1.00 53.10 O ATOM 0 H GLU A 81 11.470 -12.462 -7.288 1.00 5.11 H new ATOM 0 HA GLU A 81 9.758 -10.140 -6.666 1.00 43.25 H new ATOM 0 HB2 GLU A 81 9.881 -11.722 -9.149 1.00 51.23 H new ATOM 0 HB3 GLU A 81 8.283 -11.720 -8.430 1.00 51.23 H new ATOM 0 HG2 GLU A 81 7.892 -9.650 -9.182 1.00 73.00 H new ATOM 0 HG3 GLU A 81 9.303 -9.035 -8.345 1.00 73.00 H new ATOM 1269 N VAL A 82 8.625 -11.602 -5.039 1.00 22.21 N ATOM 1270 CA VAL A 82 7.903 -12.424 -4.075 1.00 12.31 C ATOM 1271 C VAL A 82 6.404 -12.407 -4.352 1.00 51.35 C ATOM 1272 O VAL A 82 5.727 -11.410 -4.098 1.00 35.43 O ATOM 1273 CB VAL A 82 8.152 -11.946 -2.632 1.00 40.21 C ATOM 1274 CG1 VAL A 82 7.719 -13.009 -1.635 1.00 33.43 C ATOM 1275 CG2 VAL A 82 9.617 -11.585 -2.436 1.00 52.13 C ATOM 0 H VAL A 82 8.712 -10.620 -4.775 1.00 22.21 H new ATOM 0 HA VAL A 82 8.278 -13.442 -4.183 1.00 12.31 H new ATOM 0 HB VAL A 82 7.554 -11.052 -2.456 1.00 40.21 H new ATOM 0 HG11 VAL A 82 7.903 -12.653 -0.621 1.00 33.43 H new ATOM 0 HG12 VAL A 82 6.656 -13.214 -1.761 1.00 33.43 H new ATOM 0 HG13 VAL A 82 8.288 -13.923 -1.807 1.00 33.43 H new ATOM 0 HG21 VAL A 82 9.775 -11.249 -1.411 1.00 52.13 H new ATOM 0 HG22 VAL A 82 10.237 -12.460 -2.631 1.00 52.13 H new ATOM 0 HG23 VAL A 82 9.890 -10.786 -3.126 1.00 52.13 H new ATOM 1285 N ILE A 83 5.892 -13.516 -4.876 1.00 1.25 N ATOM 1286 CA ILE A 83 4.472 -13.629 -5.186 1.00 44.21 C ATOM 1287 C ILE A 83 3.675 -14.066 -3.962 1.00 61.31 C ATOM 1288 O ILE A 83 4.087 -14.964 -3.227 1.00 44.05 O ATOM 1289 CB ILE A 83 4.224 -14.629 -6.331 1.00 4.22 C ATOM 1290 CG1 ILE A 83 5.294 -14.474 -7.414 1.00 2.54 C ATOM 1291 CG2 ILE A 83 2.835 -14.428 -6.918 1.00 45.11 C ATOM 1292 CD1 ILE A 83 6.424 -15.472 -7.294 1.00 43.11 C ATOM 0 H ILE A 83 6.439 -14.349 -5.095 1.00 1.25 H new ATOM 0 HA ILE A 83 4.138 -12.640 -5.500 1.00 44.21 H new ATOM 0 HB ILE A 83 4.285 -15.641 -5.930 1.00 4.22 H new ATOM 0 HG12 ILE A 83 4.827 -14.582 -8.393 1.00 2.54 H new ATOM 0 HG13 ILE A 83 5.704 -13.465 -7.366 1.00 2.54 H new ATOM 0 HG21 ILE A 83 2.675 -15.142 -7.726 1.00 45.11 H new ATOM 0 HG22 ILE A 83 2.086 -14.584 -6.142 1.00 45.11 H new ATOM 0 HG23 ILE A 83 2.748 -13.414 -7.307 1.00 45.11 H new ATOM 0 HD11 ILE A 83 7.145 -15.303 -8.094 1.00 43.11 H new ATOM 0 HD12 ILE A 83 6.917 -15.350 -6.329 1.00 43.11 H new ATOM 0 HD13 ILE A 83 6.026 -16.484 -7.372 1.00 43.11 H new ATOM 1304 N VAL A 84 2.529 -13.427 -3.750 1.00 2.15 N ATOM 1305 CA VAL A 84 1.671 -13.752 -2.616 1.00 44.32 C ATOM 1306 C VAL A 84 0.236 -13.997 -3.066 1.00 73.43 C ATOM 1307 O VAL A 84 -0.324 -13.223 -3.842 1.00 44.55 O ATOM 1308 CB VAL A 84 1.682 -12.627 -1.564 1.00 24.45 C ATOM 1309 CG1 VAL A 84 2.997 -12.625 -0.799 1.00 2.33 C ATOM 1310 CG2 VAL A 84 1.437 -11.279 -2.223 1.00 12.44 C ATOM 0 H VAL A 84 2.173 -12.681 -4.348 1.00 2.15 H new ATOM 0 HA VAL A 84 2.069 -14.663 -2.168 1.00 44.32 H new ATOM 0 HB VAL A 84 0.876 -12.809 -0.853 1.00 24.45 H new ATOM 0 HG11 VAL A 84 2.987 -11.824 -0.060 1.00 2.33 H new ATOM 0 HG12 VAL A 84 3.126 -13.582 -0.294 1.00 2.33 H new ATOM 0 HG13 VAL A 84 3.822 -12.467 -1.494 1.00 2.33 H new ATOM 0 HG21 VAL A 84 1.448 -10.496 -1.465 1.00 12.44 H new ATOM 0 HG22 VAL A 84 2.220 -11.085 -2.957 1.00 12.44 H new ATOM 0 HG23 VAL A 84 0.467 -11.288 -2.721 1.00 12.44 H new ATOM 1320 N ASP A 85 -0.356 -15.080 -2.574 1.00 23.22 N ATOM 1321 CA ASP A 85 -1.728 -15.428 -2.924 1.00 0.02 C ATOM 1322 C ASP A 85 -2.690 -15.036 -1.806 1.00 63.42 C ATOM 1323 O ASP A 85 -2.643 -15.595 -0.710 1.00 52.20 O ATOM 1324 CB ASP A 85 -1.840 -16.927 -3.208 1.00 52.54 C ATOM 1325 CG ASP A 85 -2.450 -17.214 -4.566 1.00 42.14 C ATOM 1326 OD1 ASP A 85 -3.354 -16.460 -4.983 1.00 15.14 O ATOM 1327 OD2 ASP A 85 -2.022 -18.192 -5.213 1.00 64.24 O ATOM 0 H ASP A 85 0.093 -15.732 -1.931 1.00 23.22 H new ATOM 0 HA ASP A 85 -1.999 -14.875 -3.823 1.00 0.02 H new ATOM 0 HB2 ASP A 85 -0.850 -17.379 -3.155 1.00 52.54 H new ATOM 0 HB3 ASP A 85 -2.447 -17.396 -2.434 1.00 52.54 H new ATOM 1332 N ARG A 86 -3.559 -14.073 -2.091 1.00 54.14 N ATOM 1333 CA ARG A 86 -4.530 -13.605 -1.110 1.00 14.03 C ATOM 1334 C ARG A 86 -3.836 -12.875 0.036 1.00 32.04 C ATOM 1335 O ARG A 86 -3.531 -13.454 1.079 1.00 14.25 O ATOM 1336 CB ARG A 86 -5.342 -14.781 -0.563 1.00 5.04 C ATOM 1337 CG ARG A 86 -6.807 -14.750 -0.965 1.00 41.21 C ATOM 1338 CD ARG A 86 -7.004 -15.246 -2.389 1.00 12.20 C ATOM 1339 NE ARG A 86 -8.123 -16.178 -2.494 1.00 15.03 N ATOM 1340 CZ ARG A 86 -9.397 -15.805 -2.446 1.00 15.02 C ATOM 1341 NH1 ARG A 86 -9.712 -14.526 -2.296 1.00 40.31 N ATOM 1342 NH2 ARG A 86 -10.360 -16.713 -2.548 1.00 51.53 N ATOM 0 H ARG A 86 -3.611 -13.601 -2.994 1.00 54.14 H new ATOM 0 HA ARG A 86 -5.204 -12.907 -1.607 1.00 14.03 H new ATOM 0 HB2 ARG A 86 -4.898 -15.712 -0.914 1.00 5.04 H new ATOM 0 HB3 ARG A 86 -5.273 -14.784 0.525 1.00 5.04 H new ATOM 0 HG2 ARG A 86 -7.387 -15.368 -0.280 1.00 41.21 H new ATOM 0 HG3 ARG A 86 -7.188 -13.733 -0.877 1.00 41.21 H new ATOM 0 HD2 ARG A 86 -7.178 -14.396 -3.048 1.00 12.20 H new ATOM 0 HD3 ARG A 86 -6.092 -15.734 -2.732 1.00 12.20 H new ATOM 0 HE ARG A 86 -7.915 -17.170 -2.611 1.00 15.03 H new ATOM 0 HH11 ARG A 86 -8.975 -13.825 -2.217 1.00 40.31 H new ATOM 0 HH12 ARG A 86 -10.691 -14.243 -2.260 1.00 40.31 H new ATOM 0 HH21 ARG A 86 -10.122 -17.698 -2.663 1.00 51.53 H new ATOM 0 HH22 ARG A 86 -11.338 -16.426 -2.511 1.00 51.53 H new ATOM 1356 N PRO A 87 -3.579 -11.573 -0.160 1.00 71.32 N ATOM 1357 CA PRO A 87 -3.937 -10.874 -1.398 1.00 3.12 C ATOM 1358 C PRO A 87 -3.087 -11.321 -2.583 1.00 33.14 C ATOM 1359 O PRO A 87 -1.993 -11.858 -2.407 1.00 63.33 O ATOM 1360 CB PRO A 87 -3.662 -9.405 -1.067 1.00 50.21 C ATOM 1361 CG PRO A 87 -2.632 -9.445 0.009 1.00 53.13 C ATOM 1362 CD PRO A 87 -2.919 -10.684 0.811 1.00 71.25 C ATOM 0 HA PRO A 87 -4.966 -11.073 -1.696 1.00 3.12 H new ATOM 0 HB2 PRO A 87 -3.300 -8.863 -1.941 1.00 50.21 H new ATOM 0 HB3 PRO A 87 -4.567 -8.899 -0.730 1.00 50.21 H new ATOM 0 HG2 PRO A 87 -1.628 -9.477 -0.413 1.00 53.13 H new ATOM 0 HG3 PRO A 87 -2.686 -8.554 0.634 1.00 53.13 H new ATOM 0 HD2 PRO A 87 -2.005 -11.128 1.206 1.00 71.25 H new ATOM 0 HD3 PRO A 87 -3.564 -10.471 1.664 1.00 71.25 H new ATOM 1370 N LEU A 88 -3.597 -11.096 -3.788 1.00 72.24 N ATOM 1371 CA LEU A 88 -2.884 -11.476 -5.003 1.00 55.34 C ATOM 1372 C LEU A 88 -1.996 -10.336 -5.492 1.00 53.02 C ATOM 1373 O LEU A 88 -2.489 -9.297 -5.930 1.00 14.24 O ATOM 1374 CB LEU A 88 -3.877 -11.870 -6.099 1.00 12.44 C ATOM 1375 CG LEU A 88 -4.025 -13.368 -6.363 1.00 33.43 C ATOM 1376 CD1 LEU A 88 -5.414 -13.846 -5.965 1.00 45.35 C ATOM 1377 CD2 LEU A 88 -3.750 -13.682 -7.826 1.00 50.32 C ATOM 0 H LEU A 88 -4.501 -10.653 -3.951 1.00 72.24 H new ATOM 0 HA LEU A 88 -2.250 -12.332 -4.770 1.00 55.34 H new ATOM 0 HB2 LEU A 88 -4.856 -11.469 -5.836 1.00 12.44 H new ATOM 0 HB3 LEU A 88 -3.574 -11.386 -7.027 1.00 12.44 H new ATOM 0 HG LEU A 88 -3.292 -13.898 -5.755 1.00 33.43 H new ATOM 0 HD11 LEU A 88 -5.501 -14.915 -6.160 1.00 45.35 H new ATOM 0 HD12 LEU A 88 -5.574 -13.657 -4.903 1.00 45.35 H new ATOM 0 HD13 LEU A 88 -6.164 -13.309 -6.546 1.00 45.35 H new ATOM 0 HD21 LEU A 88 -3.860 -14.753 -7.995 1.00 50.32 H new ATOM 0 HD22 LEU A 88 -4.458 -13.141 -8.454 1.00 50.32 H new ATOM 0 HD23 LEU A 88 -2.734 -13.377 -8.079 1.00 50.32 H new ATOM 1389 N GLN A 89 -0.685 -10.540 -5.416 1.00 72.14 N ATOM 1390 CA GLN A 89 0.271 -9.530 -5.853 1.00 2.31 C ATOM 1391 C GLN A 89 1.704 -10.018 -5.664 1.00 35.24 C ATOM 1392 O GLN A 89 1.938 -11.069 -5.067 1.00 24.11 O ATOM 1393 CB GLN A 89 0.058 -8.227 -5.080 1.00 34.33 C ATOM 1394 CG GLN A 89 -0.347 -7.056 -5.961 1.00 20.25 C ATOM 1395 CD GLN A 89 0.828 -6.450 -6.702 1.00 23.12 C ATOM 1396 OE1 GLN A 89 1.550 -5.610 -6.164 1.00 13.50 O ATOM 1397 NE2 GLN A 89 1.028 -6.875 -7.944 1.00 54.42 N ATOM 0 H GLN A 89 -0.261 -11.395 -5.056 1.00 72.14 H new ATOM 0 HA GLN A 89 0.106 -9.346 -6.915 1.00 2.31 H new ATOM 0 HB2 GLN A 89 -0.711 -8.385 -4.323 1.00 34.33 H new ATOM 0 HB3 GLN A 89 0.977 -7.973 -4.552 1.00 34.33 H new ATOM 0 HG2 GLN A 89 -1.093 -7.390 -6.682 1.00 20.25 H new ATOM 0 HG3 GLN A 89 -0.818 -6.289 -5.346 1.00 20.25 H new ATOM 0 HE21 GLN A 89 0.405 -7.573 -8.351 1.00 54.42 H new ATOM 0 HE22 GLN A 89 1.805 -6.504 -8.491 1.00 54.42 H new ATOM 1406 N VAL A 90 2.659 -9.249 -6.176 1.00 54.32 N ATOM 1407 CA VAL A 90 4.069 -9.603 -6.063 1.00 15.40 C ATOM 1408 C VAL A 90 4.887 -8.434 -5.525 1.00 71.12 C ATOM 1409 O VAL A 90 4.539 -7.271 -5.732 1.00 32.34 O ATOM 1410 CB VAL A 90 4.648 -10.039 -7.421 1.00 64.15 C ATOM 1411 CG1 VAL A 90 4.520 -8.918 -8.442 1.00 25.42 C ATOM 1412 CG2 VAL A 90 6.100 -10.468 -7.268 1.00 32.04 C ATOM 0 H VAL A 90 2.482 -8.376 -6.673 1.00 54.32 H new ATOM 0 HA VAL A 90 4.132 -10.438 -5.365 1.00 15.40 H new ATOM 0 HB VAL A 90 4.076 -10.894 -7.782 1.00 64.15 H new ATOM 0 HG11 VAL A 90 4.935 -9.245 -9.395 1.00 25.42 H new ATOM 0 HG12 VAL A 90 3.468 -8.663 -8.572 1.00 25.42 H new ATOM 0 HG13 VAL A 90 5.065 -8.042 -8.091 1.00 25.42 H new ATOM 0 HG21 VAL A 90 6.493 -10.773 -8.238 1.00 32.04 H new ATOM 0 HG22 VAL A 90 6.687 -9.634 -6.884 1.00 32.04 H new ATOM 0 HG23 VAL A 90 6.161 -11.305 -6.572 1.00 32.04 H new ATOM 1422 N PHE A 91 5.977 -8.751 -4.835 1.00 2.24 N ATOM 1423 CA PHE A 91 6.846 -7.727 -4.266 1.00 62.11 C ATOM 1424 C PHE A 91 8.200 -7.712 -4.969 1.00 5.40 C ATOM 1425 O PHE A 91 8.852 -8.747 -5.108 1.00 62.24 O ATOM 1426 CB PHE A 91 7.040 -7.967 -2.767 1.00 55.13 C ATOM 1427 CG PHE A 91 5.751 -8.163 -2.021 1.00 22.34 C ATOM 1428 CD1 PHE A 91 4.764 -7.191 -2.048 1.00 60.33 C ATOM 1429 CD2 PHE A 91 5.527 -9.320 -1.291 1.00 41.14 C ATOM 1430 CE1 PHE A 91 3.578 -7.369 -1.361 1.00 61.34 C ATOM 1431 CE2 PHE A 91 4.343 -9.504 -0.603 1.00 13.42 C ATOM 1432 CZ PHE A 91 3.367 -8.527 -0.639 1.00 34.32 C ATOM 0 H PHE A 91 6.280 -9.708 -4.656 1.00 2.24 H new ATOM 0 HA PHE A 91 6.369 -6.758 -4.413 1.00 62.11 H new ATOM 0 HB2 PHE A 91 7.670 -8.846 -2.626 1.00 55.13 H new ATOM 0 HB3 PHE A 91 7.574 -7.120 -2.337 1.00 55.13 H new ATOM 0 HD1 PHE A 91 4.923 -6.284 -2.612 1.00 60.33 H new ATOM 0 HD2 PHE A 91 6.287 -10.087 -1.260 1.00 41.14 H new ATOM 0 HE1 PHE A 91 2.817 -6.603 -1.389 1.00 61.34 H new ATOM 0 HE2 PHE A 91 4.181 -10.410 -0.038 1.00 13.42 H new ATOM 0 HZ PHE A 91 2.440 -8.669 -0.103 1.00 34.32 H new ATOM 1442 N HIS A 92 8.618 -6.529 -5.411 1.00 32.43 N ATOM 1443 CA HIS A 92 9.895 -6.378 -6.100 1.00 15.14 C ATOM 1444 C HIS A 92 11.040 -6.253 -5.100 1.00 21.54 C ATOM 1445 O HIS A 92 11.112 -5.288 -4.339 1.00 40.24 O ATOM 1446 CB HIS A 92 9.863 -5.151 -7.012 1.00 63.52 C ATOM 1447 CG HIS A 92 10.272 -5.444 -8.423 1.00 75.21 C ATOM 1448 ND1 HIS A 92 9.799 -4.734 -9.506 1.00 52.32 N ATOM 1449 CD2 HIS A 92 11.115 -6.376 -8.925 1.00 71.25 C ATOM 1450 CE1 HIS A 92 10.332 -5.217 -10.614 1.00 4.01 C ATOM 1451 NE2 HIS A 92 11.135 -6.214 -10.289 1.00 22.20 N ATOM 0 H HIS A 92 8.091 -5.662 -5.304 1.00 32.43 H new ATOM 0 HA HIS A 92 10.061 -7.269 -6.706 1.00 15.14 H new ATOM 0 HB2 HIS A 92 8.855 -4.735 -7.013 1.00 63.52 H new ATOM 0 HB3 HIS A 92 10.523 -4.386 -6.602 1.00 63.52 H new ATOM 0 HD2 HIS A 92 11.669 -7.110 -8.359 1.00 71.25 H new ATOM 0 HE1 HIS A 92 10.143 -4.858 -11.615 1.00 4.01 H new ATOM 0 HE2 HIS A 92 11.681 -6.773 -10.944 1.00 22.20 H new ATOM 1459 N VAL A 93 11.934 -7.237 -5.105 1.00 72.52 N ATOM 1460 CA VAL A 93 13.076 -7.238 -4.199 1.00 61.02 C ATOM 1461 C VAL A 93 14.386 -7.091 -4.966 1.00 34.32 C ATOM 1462 O VAL A 93 14.568 -7.694 -6.023 1.00 32.22 O ATOM 1463 CB VAL A 93 13.127 -8.529 -3.361 1.00 13.04 C ATOM 1464 CG1 VAL A 93 14.398 -8.575 -2.527 1.00 10.33 C ATOM 1465 CG2 VAL A 93 11.894 -8.637 -2.475 1.00 64.43 C ATOM 0 H VAL A 93 11.889 -8.044 -5.727 1.00 72.52 H new ATOM 0 HA VAL A 93 12.951 -6.385 -3.532 1.00 61.02 H new ATOM 0 HB VAL A 93 13.136 -9.382 -4.039 1.00 13.04 H new ATOM 0 HG11 VAL A 93 14.416 -9.494 -1.942 1.00 10.33 H new ATOM 0 HG12 VAL A 93 15.266 -8.547 -3.185 1.00 10.33 H new ATOM 0 HG13 VAL A 93 14.424 -7.717 -1.855 1.00 10.33 H new ATOM 0 HG21 VAL A 93 11.946 -9.555 -1.890 1.00 64.43 H new ATOM 0 HG22 VAL A 93 11.853 -7.780 -1.803 1.00 64.43 H new ATOM 0 HG23 VAL A 93 10.999 -8.654 -3.097 1.00 64.43 H new ATOM 1475 N GLU A 94 15.295 -6.286 -4.425 1.00 32.22 N ATOM 1476 CA GLU A 94 16.588 -6.060 -5.059 1.00 62.40 C ATOM 1477 C GLU A 94 17.716 -6.124 -4.033 1.00 12.32 C ATOM 1478 O GLU A 94 17.900 -5.201 -3.238 1.00 71.53 O ATOM 1479 CB GLU A 94 16.604 -4.704 -5.767 1.00 61.23 C ATOM 1480 CG GLU A 94 15.558 -4.577 -6.862 1.00 12.23 C ATOM 1481 CD GLU A 94 14.604 -3.422 -6.626 1.00 2.34 C ATOM 1482 OE1 GLU A 94 13.804 -3.500 -5.670 1.00 54.12 O ATOM 1483 OE2 GLU A 94 14.658 -2.440 -7.396 1.00 22.24 O ATOM 0 H GLU A 94 15.160 -5.780 -3.550 1.00 32.22 H new ATOM 0 HA GLU A 94 16.745 -6.848 -5.796 1.00 62.40 H new ATOM 0 HB2 GLU A 94 16.444 -3.917 -5.030 1.00 61.23 H new ATOM 0 HB3 GLU A 94 17.591 -4.541 -6.199 1.00 61.23 H new ATOM 0 HG2 GLU A 94 16.057 -4.441 -7.822 1.00 12.23 H new ATOM 0 HG3 GLU A 94 14.990 -5.505 -6.926 1.00 12.23 H new ATOM 1490 N VAL A 95 18.468 -7.220 -4.056 1.00 10.55 N ATOM 1491 CA VAL A 95 19.578 -7.404 -3.128 1.00 70.34 C ATOM 1492 C VAL A 95 20.918 -7.206 -3.829 1.00 34.15 C ATOM 1493 O VAL A 95 21.158 -7.765 -4.898 1.00 24.21 O ATOM 1494 CB VAL A 95 19.548 -8.805 -2.489 1.00 33.22 C ATOM 1495 CG1 VAL A 95 18.302 -8.975 -1.633 1.00 74.03 C ATOM 1496 CG2 VAL A 95 19.619 -9.882 -3.561 1.00 50.33 C ATOM 0 H VAL A 95 18.329 -7.993 -4.706 1.00 10.55 H new ATOM 0 HA VAL A 95 19.465 -6.653 -2.346 1.00 70.34 H new ATOM 0 HB VAL A 95 20.420 -8.909 -1.844 1.00 33.22 H new ATOM 0 HG11 VAL A 95 18.298 -9.971 -1.190 1.00 74.03 H new ATOM 0 HG12 VAL A 95 18.299 -8.226 -0.842 1.00 74.03 H new ATOM 0 HG13 VAL A 95 17.415 -8.851 -2.254 1.00 74.03 H new ATOM 0 HG21 VAL A 95 19.597 -10.865 -3.091 1.00 50.33 H new ATOM 0 HG22 VAL A 95 18.767 -9.782 -4.234 1.00 50.33 H new ATOM 0 HG23 VAL A 95 20.544 -9.771 -4.127 1.00 50.33 H new ATOM 1506 N GLU A 96 21.786 -6.407 -3.217 1.00 42.42 N ATOM 1507 CA GLU A 96 23.102 -6.135 -3.783 1.00 42.40 C ATOM 1508 C GLU A 96 24.189 -6.883 -3.017 1.00 2.34 C ATOM 1509 O GLU A 96 24.023 -7.210 -1.842 1.00 34.33 O ATOM 1510 CB GLU A 96 23.390 -4.632 -3.762 1.00 3.01 C ATOM 1511 CG GLU A 96 24.142 -4.139 -4.987 1.00 55.02 C ATOM 1512 CD GLU A 96 24.645 -2.717 -4.830 1.00 24.52 C ATOM 1513 OE1 GLU A 96 25.442 -2.469 -3.901 1.00 34.14 O ATOM 1514 OE2 GLU A 96 24.243 -1.853 -5.637 1.00 21.41 O ATOM 0 H GLU A 96 21.602 -5.937 -2.330 1.00 42.42 H new ATOM 0 HA GLU A 96 23.104 -6.484 -4.816 1.00 42.40 H new ATOM 0 HB2 GLU A 96 22.447 -4.091 -3.683 1.00 3.01 H new ATOM 0 HB3 GLU A 96 23.970 -4.394 -2.870 1.00 3.01 H new ATOM 0 HG2 GLU A 96 24.987 -4.800 -5.180 1.00 55.02 H new ATOM 0 HG3 GLU A 96 23.488 -4.195 -5.857 1.00 55.02 H new ATOM 1521 N VAL A 97 25.303 -7.150 -3.691 1.00 60.50 N ATOM 1522 CA VAL A 97 26.418 -7.859 -3.075 1.00 22.23 C ATOM 1523 C VAL A 97 27.557 -6.904 -2.737 1.00 43.13 C ATOM 1524 O VAL A 97 28.003 -6.129 -3.584 1.00 33.10 O ATOM 1525 CB VAL A 97 26.952 -8.973 -3.995 1.00 25.14 C ATOM 1526 CG1 VAL A 97 26.040 -10.189 -3.946 1.00 24.42 C ATOM 1527 CG2 VAL A 97 27.098 -8.462 -5.420 1.00 72.31 C ATOM 0 H VAL A 97 25.457 -6.886 -4.664 1.00 60.50 H new ATOM 0 HA VAL A 97 26.039 -8.307 -2.157 1.00 22.23 H new ATOM 0 HB VAL A 97 27.937 -9.274 -3.639 1.00 25.14 H new ATOM 0 HG11 VAL A 97 26.433 -10.965 -4.602 1.00 24.42 H new ATOM 0 HG12 VAL A 97 25.992 -10.567 -2.925 1.00 24.42 H new ATOM 0 HG13 VAL A 97 25.040 -9.907 -4.276 1.00 24.42 H new ATOM 0 HG21 VAL A 97 27.476 -9.262 -6.056 1.00 72.31 H new ATOM 0 HG22 VAL A 97 26.127 -8.133 -5.790 1.00 72.31 H new ATOM 0 HG23 VAL A 97 27.796 -7.625 -5.437 1.00 72.31 H new ATOM 1537 N ARG A 98 28.025 -6.965 -1.495 1.00 21.02 N ATOM 1538 CA ARG A 98 29.113 -6.105 -1.045 1.00 15.44 C ATOM 1539 C ARG A 98 30.461 -6.797 -1.218 1.00 41.01 C ATOM 1540 O ARG A 98 30.747 -7.796 -0.557 1.00 41.51 O ATOM 1541 CB ARG A 98 28.911 -5.717 0.421 1.00 1.15 C ATOM 1542 CG ARG A 98 29.617 -4.429 0.813 1.00 14.14 C ATOM 1543 CD ARG A 98 30.862 -4.706 1.641 1.00 42.44 C ATOM 1544 NE ARG A 98 31.847 -3.634 1.522 1.00 43.12 N ATOM 1545 CZ ARG A 98 32.867 -3.477 2.358 1.00 25.50 C ATOM 1546 NH1 ARG A 98 33.036 -4.319 3.368 1.00 30.43 N ATOM 1547 NH2 ARG A 98 33.722 -2.477 2.184 1.00 21.51 N ATOM 0 H ARG A 98 27.668 -7.601 -0.782 1.00 21.02 H new ATOM 0 HA ARG A 98 29.107 -5.203 -1.657 1.00 15.44 H new ATOM 0 HB2 ARG A 98 27.844 -5.610 0.616 1.00 1.15 H new ATOM 0 HB3 ARG A 98 29.272 -6.527 1.055 1.00 1.15 H new ATOM 0 HG2 ARG A 98 29.892 -3.876 -0.085 1.00 14.14 H new ATOM 0 HG3 ARG A 98 28.934 -3.797 1.381 1.00 14.14 H new ATOM 0 HD2 ARG A 98 30.582 -4.827 2.687 1.00 42.44 H new ATOM 0 HD3 ARG A 98 31.309 -5.647 1.320 1.00 42.44 H new ATOM 0 HE ARG A 98 31.746 -2.970 0.755 1.00 43.12 H new ATOM 0 HH11 ARG A 98 32.382 -5.090 3.504 1.00 30.43 H new ATOM 0 HH12 ARG A 98 33.820 -4.196 4.009 1.00 30.43 H new ATOM 0 HH21 ARG A 98 33.596 -1.828 1.407 1.00 21.51 H new ATOM 0 HH22 ARG A 98 34.505 -2.358 2.827 1.00 21.51 H new ATOM 1561 N ASP A 99 31.285 -6.260 -2.111 1.00 62.32 N ATOM 1562 CA ASP A 99 32.604 -6.826 -2.372 1.00 11.25 C ATOM 1563 C ASP A 99 33.389 -5.950 -3.343 1.00 53.11 C ATOM 1564 O ASP A 99 32.938 -4.868 -3.722 1.00 32.42 O ATOM 1565 CB ASP A 99 32.473 -8.242 -2.934 1.00 20.11 C ATOM 1566 CG ASP A 99 33.037 -9.292 -1.997 1.00 3.33 C ATOM 1567 OD1 ASP A 99 33.001 -9.072 -0.768 1.00 14.53 O ATOM 1568 OD2 ASP A 99 33.515 -10.334 -2.492 1.00 12.40 O ATOM 0 H ASP A 99 31.063 -5.434 -2.666 1.00 62.32 H new ATOM 0 HA ASP A 99 33.147 -6.867 -1.428 1.00 11.25 H new ATOM 0 HB2 ASP A 99 31.422 -8.458 -3.126 1.00 20.11 H new ATOM 0 HB3 ASP A 99 32.990 -8.299 -3.892 1.00 20.11 H new ATOM 1573 N ILE A 100 34.564 -6.424 -3.741 1.00 44.44 N ATOM 1574 CA ILE A 100 35.411 -5.683 -4.669 1.00 23.35 C ATOM 1575 C ILE A 100 35.831 -6.556 -5.846 1.00 71.24 C ATOM 1576 O ILE A 100 35.850 -7.782 -5.747 1.00 64.24 O ATOM 1577 CB ILE A 100 36.673 -5.143 -3.970 1.00 13.33 C ATOM 1578 CG1 ILE A 100 37.371 -4.111 -4.857 1.00 44.24 C ATOM 1579 CG2 ILE A 100 37.619 -6.284 -3.629 1.00 5.35 C ATOM 1580 CD1 ILE A 100 37.971 -2.957 -4.085 1.00 44.32 C ATOM 0 H ILE A 100 34.952 -7.317 -3.436 1.00 44.44 H new ATOM 0 HA ILE A 100 34.820 -4.843 -5.035 1.00 23.35 H new ATOM 0 HB ILE A 100 36.376 -4.655 -3.042 1.00 13.33 H new ATOM 0 HG12 ILE A 100 38.159 -4.606 -5.425 1.00 44.24 H new ATOM 0 HG13 ILE A 100 36.654 -3.721 -5.579 1.00 44.24 H new ATOM 0 HG21 ILE A 100 38.506 -5.886 -3.136 1.00 5.35 H new ATOM 0 HG22 ILE A 100 37.117 -6.986 -2.963 1.00 5.35 H new ATOM 0 HG23 ILE A 100 37.913 -6.799 -4.544 1.00 5.35 H new ATOM 0 HD11 ILE A 100 38.449 -2.265 -4.778 1.00 44.32 H new ATOM 0 HD12 ILE A 100 37.184 -2.437 -3.538 1.00 44.32 H new ATOM 0 HD13 ILE A 100 38.712 -3.336 -3.382 1.00 44.32 H new