USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -1.24 K(o=-2.8,f=-2.1) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.6 K(o=-2.8,f=-3.9) USER MOD Set 2.1: A 80 MET CE :methyl -129:sc= -3.96! (180deg=-1.77!) USER MOD Set 2.2: A 84 GLN : amide:sc= -3.69! K(o=-7.7!,f=-4.2) USER MOD Set 3.1: A 55 GLN : amide:sc= -0.556 K(o=-0.56,f=-6.1!) USER MOD Set 3.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 20 THR OG1 : rot 180:sc= -0.215 USER MOD Set 4.2: A 89 GLN : amide:sc= 0 K(o=-0.21,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 55:sc= 0.73 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00507 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc=-0.00275 X(o=-0.0028,f=-0.44) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.198) USER MOD Single : A 23 ASN : amide:sc= -1.1 K(o=-1.1,f=-1.7!) USER MOD Single : A 26 GLN : amide:sc= -0.68 K(o=-0.68,f=-0.087) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.3! K(o=-3.3!,f=-0.84) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 176:sc= -0.745 (180deg=-0.746) USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= -0.0409 (180deg=-0.436) USER MOD Single : A 48 SER OG : rot -162:sc= 1.16 USER MOD Single : A 52 ASN : amide:sc=-0.00311 X(o=-0.0031,f=0) USER MOD Single : A 53 THR OG1 : rot 43:sc= 0.0554 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -0.111 (180deg=-0.354) USER MOD Single : A 58 TYR OH : rot -33:sc= 0.937 USER MOD Single : A 63 ASN : amide:sc= -0.205 K(o=-0.2,f=-1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.78 K(o=0.78,f=-0.21) USER MOD Single : A 74 TYR OH : rot -130:sc= -1.44! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.336 K(o=-0.34,f=-1.1) USER MOD Single : A 90 MET CE :methyl -137:sc= -0.22 (180deg=-1.6!) USER MOD Single : A 91 GLN : amide:sc= -2.24 K(o=-2.2,f=-6.8!) USER MOD Single : A 93 HIS : no HD1:sc= 0.139 K(o=0.14,f=-4.2!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.526 -39.602 6.677 1.00 0.00 N ATOM 2 CA GLY A 1 -2.320 -40.603 5.644 1.00 0.00 C ATOM 3 C GLY A 1 -2.174 -39.950 4.268 1.00 0.00 C ATOM 4 O GLY A 1 -3.124 -39.918 3.488 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.622 -40.071 7.600 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.712 -38.955 6.700 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.391 -39.063 6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.427 -41.186 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.160 -41.298 5.633 1.00 0.00 H new ATOM 8 N SER A 2 -0.976 -39.444 4.013 1.00 0.00 N ATOM 9 CA SER A 2 -0.693 -38.793 2.745 1.00 0.00 C ATOM 10 C SER A 2 0.768 -38.342 2.703 1.00 0.00 C ATOM 11 O SER A 2 1.396 -38.159 3.745 1.00 0.00 O ATOM 12 CB SER A 2 -1.624 -37.600 2.519 1.00 0.00 C ATOM 13 OG SER A 2 -2.704 -37.922 1.648 1.00 0.00 O ATOM 0 H SER A 2 -0.190 -39.472 4.663 1.00 0.00 H new ATOM 0 HA SER A 2 -0.867 -39.512 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.019 -37.262 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.055 -36.771 2.099 1.00 0.00 H new ATOM 0 HG SER A 2 -3.185 -38.701 1.997 1.00 0.00 H new ATOM 19 N SER A 3 1.268 -38.176 1.487 1.00 0.00 N ATOM 20 CA SER A 3 2.644 -37.750 1.295 1.00 0.00 C ATOM 21 C SER A 3 2.706 -36.637 0.248 1.00 0.00 C ATOM 22 O SER A 3 2.589 -36.898 -0.949 1.00 0.00 O ATOM 23 CB SER A 3 3.530 -38.924 0.875 1.00 0.00 C ATOM 24 OG SER A 3 4.901 -38.699 1.194 1.00 0.00 O ATOM 0 H SER A 3 0.745 -38.329 0.625 1.00 0.00 H new ATOM 0 HA SER A 3 3.019 -37.368 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.187 -39.832 1.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.430 -39.088 -0.198 1.00 0.00 H new ATOM 0 HG SER A 3 5.434 -39.472 0.912 1.00 0.00 H new ATOM 30 N GLY A 4 2.889 -35.419 0.735 1.00 0.00 N ATOM 31 CA GLY A 4 2.968 -34.264 -0.144 1.00 0.00 C ATOM 32 C GLY A 4 2.026 -33.153 0.325 1.00 0.00 C ATOM 33 O GLY A 4 1.765 -33.018 1.519 1.00 0.00 O ATOM 0 H GLY A 4 2.985 -35.206 1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.992 -33.891 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.711 -34.558 -1.161 1.00 0.00 H new ATOM 37 N SER A 5 1.542 -32.386 -0.641 1.00 0.00 N ATOM 38 CA SER A 5 0.635 -31.290 -0.342 1.00 0.00 C ATOM 39 C SER A 5 1.350 -30.235 0.505 1.00 0.00 C ATOM 40 O SER A 5 1.387 -30.339 1.730 1.00 0.00 O ATOM 41 CB SER A 5 -0.616 -31.793 0.381 1.00 0.00 C ATOM 42 OG SER A 5 -1.778 -31.705 -0.439 1.00 0.00 O ATOM 0 H SER A 5 1.760 -32.501 -1.631 1.00 0.00 H new ATOM 0 HA SER A 5 0.321 -30.839 -1.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.466 -32.828 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.768 -31.211 1.290 1.00 0.00 H new ATOM 0 HG SER A 5 -2.555 -32.037 0.058 1.00 0.00 H new ATOM 48 N SER A 6 1.899 -29.244 -0.182 1.00 0.00 N ATOM 49 CA SER A 6 2.610 -28.171 0.492 1.00 0.00 C ATOM 50 C SER A 6 2.820 -26.999 -0.468 1.00 0.00 C ATOM 51 O SER A 6 3.234 -27.194 -1.610 1.00 0.00 O ATOM 52 CB SER A 6 3.954 -28.658 1.037 1.00 0.00 C ATOM 53 OG SER A 6 4.628 -27.646 1.779 1.00 0.00 O ATOM 0 H SER A 6 1.866 -29.162 -1.198 1.00 0.00 H new ATOM 0 HA SER A 6 2.006 -27.838 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.793 -29.528 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.585 -28.981 0.209 1.00 0.00 H new ATOM 0 HG SER A 6 5.481 -27.997 2.111 1.00 0.00 H new ATOM 59 N GLY A 7 2.526 -25.807 0.030 1.00 0.00 N ATOM 60 CA GLY A 7 2.677 -24.603 -0.770 1.00 0.00 C ATOM 61 C GLY A 7 2.020 -23.404 -0.084 1.00 0.00 C ATOM 62 O GLY A 7 2.709 -22.514 0.413 1.00 0.00 O ATOM 0 H GLY A 7 2.184 -25.649 0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.736 -24.399 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.229 -24.756 -1.752 1.00 0.00 H new ATOM 66 N PRO A 8 0.660 -23.418 -0.080 1.00 0.00 N ATOM 67 CA PRO A 8 -0.097 -22.342 0.536 1.00 0.00 C ATOM 68 C PRO A 8 -0.057 -22.447 2.062 1.00 0.00 C ATOM 69 O PRO A 8 0.249 -23.506 2.607 1.00 0.00 O ATOM 70 CB PRO A 8 -1.501 -22.475 -0.031 1.00 0.00 C ATOM 71 CG PRO A 8 -1.597 -23.889 -0.580 1.00 0.00 C ATOM 72 CD PRO A 8 -0.189 -24.455 -0.659 1.00 0.00 C ATOM 0 HA PRO A 8 0.316 -21.358 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.252 -22.304 0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.677 -21.739 -0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.221 -24.507 0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.063 -23.885 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.106 -25.390 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.094 -24.669 -1.689 1.00 0.00 H new ATOM 80 N HIS A 9 -0.370 -21.333 2.708 1.00 0.00 N ATOM 81 CA HIS A 9 -0.373 -21.286 4.161 1.00 0.00 C ATOM 82 C HIS A 9 -1.749 -20.837 4.657 1.00 0.00 C ATOM 83 O HIS A 9 -2.617 -20.490 3.858 1.00 0.00 O ATOM 84 CB HIS A 9 0.762 -20.400 4.678 1.00 0.00 C ATOM 85 CG HIS A 9 2.123 -20.768 4.137 1.00 0.00 C ATOM 86 ND1 HIS A 9 3.101 -19.827 3.865 1.00 0.00 N ATOM 87 CD2 HIS A 9 2.660 -21.982 3.823 1.00 0.00 C ATOM 88 CE1 HIS A 9 4.172 -20.457 3.407 1.00 0.00 C ATOM 89 NE2 HIS A 9 3.897 -21.793 3.381 1.00 0.00 N ATOM 0 H HIS A 9 -0.623 -20.456 2.252 1.00 0.00 H new ATOM 0 HA HIS A 9 -0.189 -22.283 4.561 1.00 0.00 H new ATOM 0 HB2 HIS A 9 0.547 -19.363 4.418 1.00 0.00 H new ATOM 0 HB3 HIS A 9 0.787 -20.457 5.766 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.163 -22.936 3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.100 -19.994 3.107 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.536 -22.526 3.073 1.00 0.00 H new ATOM 97 N SER A 10 -1.904 -20.859 5.972 1.00 0.00 N ATOM 98 CA SER A 10 -3.159 -20.458 6.584 1.00 0.00 C ATOM 99 C SER A 10 -3.485 -19.011 6.211 1.00 0.00 C ATOM 100 O SER A 10 -2.673 -18.329 5.588 1.00 0.00 O ATOM 101 CB SER A 10 -3.105 -20.615 8.105 1.00 0.00 C ATOM 102 OG SER A 10 -4.407 -20.656 8.684 1.00 0.00 O ATOM 0 H SER A 10 -1.181 -21.148 6.631 1.00 0.00 H new ATOM 0 HA SER A 10 -3.947 -21.110 6.206 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.568 -21.529 8.356 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.543 -19.786 8.535 1.00 0.00 H new ATOM 0 HG SER A 10 -4.330 -20.759 9.656 1.00 0.00 H new ATOM 108 N MET A 11 -4.674 -18.584 6.609 1.00 0.00 N ATOM 109 CA MET A 11 -5.117 -17.229 6.324 1.00 0.00 C ATOM 110 C MET A 11 -4.984 -16.338 7.560 1.00 0.00 C ATOM 111 O MET A 11 -5.392 -16.722 8.654 1.00 0.00 O ATOM 112 CB MET A 11 -6.578 -17.255 5.868 1.00 0.00 C ATOM 113 CG MET A 11 -6.706 -16.795 4.414 1.00 0.00 C ATOM 114 SD MET A 11 -6.380 -18.160 3.311 1.00 0.00 S ATOM 115 CE MET A 11 -5.615 -17.286 1.955 1.00 0.00 C ATOM 0 H MET A 11 -5.345 -19.152 7.127 1.00 0.00 H new ATOM 0 HA MET A 11 -4.488 -16.819 5.534 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.977 -18.264 5.971 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.175 -16.609 6.512 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.707 -16.403 4.235 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.006 -15.983 4.218 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.346 -17.994 1.171 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.314 -16.551 1.556 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.718 -16.779 2.309 1.00 0.00 H new ATOM 125 N GLU A 12 -4.411 -15.163 7.343 1.00 0.00 N ATOM 126 CA GLU A 12 -4.218 -14.213 8.426 1.00 0.00 C ATOM 127 C GLU A 12 -4.320 -12.780 7.899 1.00 0.00 C ATOM 128 O GLU A 12 -4.262 -12.553 6.692 1.00 0.00 O ATOM 129 CB GLU A 12 -2.878 -14.445 9.127 1.00 0.00 C ATOM 130 CG GLU A 12 -3.060 -15.284 10.393 1.00 0.00 C ATOM 131 CD GLU A 12 -1.725 -15.487 11.113 1.00 0.00 C ATOM 132 OE1 GLU A 12 -1.401 -14.627 11.960 1.00 0.00 O ATOM 133 OE2 GLU A 12 -1.060 -16.498 10.800 1.00 0.00 O ATOM 0 H GLU A 12 -4.074 -14.847 6.433 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.007 -14.366 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.191 -14.949 8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.427 -13.486 9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.767 -14.792 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.488 -16.252 10.134 1.00 0.00 H new ATOM 140 N PRO A 13 -4.475 -11.826 8.856 1.00 0.00 N ATOM 141 CA PRO A 13 -4.586 -10.422 8.501 1.00 0.00 C ATOM 142 C PRO A 13 -3.226 -9.848 8.101 1.00 0.00 C ATOM 143 O PRO A 13 -3.108 -9.176 7.077 1.00 0.00 O ATOM 144 CB PRO A 13 -5.175 -9.750 9.731 1.00 0.00 C ATOM 145 CG PRO A 13 -4.940 -10.712 10.884 1.00 0.00 C ATOM 146 CD PRO A 13 -4.549 -12.058 10.296 1.00 0.00 C ATOM 0 HA PRO A 13 -5.221 -10.258 7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.695 -8.790 9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.239 -9.553 9.597 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.153 -10.338 11.539 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.840 -10.808 11.491 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.593 -12.400 10.692 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.286 -12.824 10.536 1.00 0.00 H new ATOM 154 N GLN A 14 -2.232 -10.134 8.929 1.00 0.00 N ATOM 155 CA GLN A 14 -0.884 -9.656 8.674 1.00 0.00 C ATOM 156 C GLN A 14 -0.574 -9.714 7.176 1.00 0.00 C ATOM 157 O GLN A 14 -0.263 -10.778 6.644 1.00 0.00 O ATOM 158 CB GLN A 14 0.143 -10.455 9.477 1.00 0.00 C ATOM 159 CG GLN A 14 0.001 -10.181 10.976 1.00 0.00 C ATOM 160 CD GLN A 14 0.900 -11.112 11.792 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.028 -12.294 11.514 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.513 -10.517 12.811 1.00 0.00 N ATOM 0 H GLN A 14 -2.333 -10.691 9.777 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.821 -8.617 8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.012 -11.520 9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.149 -10.193 9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.261 -9.143 11.186 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.038 -10.317 11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.362 -9.524 12.988 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.135 -11.054 13.416 1.00 0.00 H new ATOM 171 N VAL A 15 -0.670 -8.556 6.539 1.00 0.00 N ATOM 172 CA VAL A 15 -0.404 -8.462 5.114 1.00 0.00 C ATOM 173 C VAL A 15 1.010 -7.919 4.898 1.00 0.00 C ATOM 174 O VAL A 15 1.510 -7.141 5.709 1.00 0.00 O ATOM 175 CB VAL A 15 -1.481 -7.612 4.436 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.982 -7.061 3.099 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.774 -8.410 4.252 1.00 0.00 C ATOM 0 H VAL A 15 -0.928 -7.675 6.984 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.448 -9.448 4.651 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.700 -6.766 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.766 -6.461 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.101 -6.441 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.722 -7.888 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.523 -7.783 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.577 -9.284 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.144 -8.732 5.225 1.00 0.00 H new ATOM 187 N THR A 16 1.614 -8.350 3.801 1.00 0.00 N ATOM 188 CA THR A 16 2.960 -7.917 3.468 1.00 0.00 C ATOM 189 C THR A 16 2.922 -6.861 2.362 1.00 0.00 C ATOM 190 O THR A 16 2.637 -7.175 1.208 1.00 0.00 O ATOM 191 CB THR A 16 3.777 -9.156 3.097 1.00 0.00 C ATOM 192 OG1 THR A 16 3.620 -10.024 4.216 1.00 0.00 O ATOM 193 CG2 THR A 16 5.281 -8.874 3.053 1.00 0.00 C ATOM 0 H THR A 16 1.196 -8.995 3.131 1.00 0.00 H new ATOM 0 HA THR A 16 3.442 -7.435 4.318 1.00 0.00 H new ATOM 0 HB THR A 16 3.449 -9.530 2.127 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.117 -10.854 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.814 -9.786 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.485 -8.103 2.310 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.616 -8.532 4.032 1.00 0.00 H new ATOM 201 N LEU A 17 3.215 -5.629 2.754 1.00 0.00 N ATOM 202 CA LEU A 17 3.218 -4.524 1.810 1.00 0.00 C ATOM 203 C LEU A 17 4.634 -4.331 1.262 1.00 0.00 C ATOM 204 O LEU A 17 5.478 -3.721 1.916 1.00 0.00 O ATOM 205 CB LEU A 17 2.631 -3.267 2.455 1.00 0.00 C ATOM 206 CG LEU A 17 1.138 -3.316 2.783 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.647 -1.965 3.306 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.326 -3.793 1.577 1.00 0.00 C ATOM 0 H LEU A 17 3.452 -5.372 3.712 1.00 0.00 H new ATOM 0 HA LEU A 17 2.574 -4.748 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.179 -3.066 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.809 -2.424 1.788 1.00 0.00 H new ATOM 0 HG LEU A 17 0.988 -4.044 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.418 -2.027 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.195 -1.704 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.813 -1.199 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.732 -3.819 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.478 -3.108 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.653 -4.792 1.290 1.00 0.00 H new ATOM 220 N ASN A 18 4.849 -4.863 0.068 1.00 0.00 N ATOM 221 CA ASN A 18 6.148 -4.756 -0.575 1.00 0.00 C ATOM 222 C ASN A 18 6.218 -3.444 -1.359 1.00 0.00 C ATOM 223 O ASN A 18 5.630 -3.326 -2.433 1.00 0.00 O ATOM 224 CB ASN A 18 6.371 -5.907 -1.558 1.00 0.00 C ATOM 225 CG ASN A 18 6.055 -7.255 -0.907 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.737 -7.711 -0.004 1.00 0.00 O ATOM 227 ND2 ASN A 18 4.987 -7.863 -1.413 1.00 0.00 N ATOM 0 H ASN A 18 4.146 -5.369 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 18 6.913 -4.790 0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.741 -5.767 -2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.405 -5.900 -1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.693 -8.768 -1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.461 -7.425 -2.169 1.00 0.00 H new ATOM 234 N VAL A 19 6.943 -2.491 -0.791 1.00 0.00 N ATOM 235 CA VAL A 19 7.098 -1.192 -1.423 1.00 0.00 C ATOM 236 C VAL A 19 8.422 -1.157 -2.189 1.00 0.00 C ATOM 237 O VAL A 19 9.478 -1.430 -1.622 1.00 0.00 O ATOM 238 CB VAL A 19 6.984 -0.083 -0.375 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.196 1.293 -1.008 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.639 -0.152 0.352 1.00 0.00 C ATOM 0 H VAL A 19 7.429 -2.593 0.100 1.00 0.00 H new ATOM 0 HA VAL A 19 6.300 -1.021 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 19 7.771 -0.237 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.110 2.063 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.188 1.338 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.442 1.460 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.584 0.647 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.829 -0.036 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.545 -1.116 0.852 1.00 0.00 H new ATOM 250 N THR A 20 8.321 -0.819 -3.466 1.00 0.00 N ATOM 251 CA THR A 20 9.497 -0.745 -4.316 1.00 0.00 C ATOM 252 C THR A 20 9.663 0.670 -4.874 1.00 0.00 C ATOM 253 O THR A 20 9.011 1.037 -5.850 1.00 0.00 O ATOM 254 CB THR A 20 9.365 -1.814 -5.401 1.00 0.00 C ATOM 255 OG1 THR A 20 9.759 -3.020 -4.751 1.00 0.00 O ATOM 256 CG2 THR A 20 10.392 -1.642 -6.522 1.00 0.00 C ATOM 0 H THR A 20 7.443 -0.593 -3.933 1.00 0.00 H new ATOM 0 HA THR A 20 10.407 -0.947 -3.751 1.00 0.00 H new ATOM 0 HB THR A 20 8.360 -1.781 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.701 -3.766 -5.383 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.254 -2.427 -7.266 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.257 -0.668 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.398 -1.708 -6.107 1.00 0.00 H new ATOM 264 N PHE A 21 10.540 1.427 -4.230 1.00 0.00 N ATOM 265 CA PHE A 21 10.801 2.793 -4.650 1.00 0.00 C ATOM 266 C PHE A 21 12.066 2.872 -5.506 1.00 0.00 C ATOM 267 O PHE A 21 13.111 2.345 -5.127 1.00 0.00 O ATOM 268 CB PHE A 21 11.007 3.620 -3.379 1.00 0.00 C ATOM 269 CG PHE A 21 11.395 5.077 -3.641 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.704 5.811 -4.553 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.431 5.637 -2.961 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.064 7.163 -4.796 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.792 6.989 -3.204 1.00 0.00 C ATOM 274 CZ PHE A 21 12.101 7.723 -4.116 1.00 0.00 C ATOM 0 H PHE A 21 11.079 1.120 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 21 9.968 3.164 -5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.089 3.599 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.783 3.151 -2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.881 5.366 -5.093 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.979 5.054 -2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.515 7.746 -5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.615 7.434 -2.664 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.375 8.751 -4.301 1.00 0.00 H new ATOM 284 N LYS A 22 11.931 3.534 -6.646 1.00 0.00 N ATOM 285 CA LYS A 22 13.050 3.689 -7.559 1.00 0.00 C ATOM 286 C LYS A 22 13.648 2.314 -7.864 1.00 0.00 C ATOM 287 O LYS A 22 13.215 1.637 -8.795 1.00 0.00 O ATOM 288 CB LYS A 22 14.063 4.690 -7.000 1.00 0.00 C ATOM 289 CG LYS A 22 13.395 6.029 -6.686 1.00 0.00 C ATOM 290 CD LYS A 22 12.724 6.613 -7.931 1.00 0.00 C ATOM 291 CE LYS A 22 11.201 6.512 -7.832 1.00 0.00 C ATOM 292 NZ LYS A 22 10.640 5.912 -9.063 1.00 0.00 N ATOM 0 H LYS A 22 11.063 3.969 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 22 12.713 4.108 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.518 4.286 -6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.866 4.841 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.653 5.894 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.138 6.730 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.016 7.656 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.070 6.082 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.926 5.907 -6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.774 7.503 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.627 6.137 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.134 6.297 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.764 4.880 -9.034 1.00 0.00 H new ATOM 306 N ASN A 23 14.634 1.941 -7.061 1.00 0.00 N ATOM 307 CA ASN A 23 15.296 0.659 -7.233 1.00 0.00 C ATOM 308 C ASN A 23 15.395 -0.044 -5.878 1.00 0.00 C ATOM 309 O ASN A 23 16.036 -1.088 -5.762 1.00 0.00 O ATOM 310 CB ASN A 23 16.714 0.840 -7.776 1.00 0.00 C ATOM 311 CG ASN A 23 17.414 -0.510 -7.942 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.160 -0.961 -7.088 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.133 -1.129 -9.085 1.00 0.00 N ATOM 0 H ASN A 23 14.990 2.505 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 23 14.712 0.070 -7.940 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.677 1.355 -8.736 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.289 1.471 -7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.551 -2.037 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.500 -0.696 -9.757 1.00 0.00 H new ATOM 320 N GLU A 24 14.751 0.555 -4.887 1.00 0.00 N ATOM 321 CA GLU A 24 14.759 -0.001 -3.545 1.00 0.00 C ATOM 322 C GLU A 24 13.517 -0.867 -3.322 1.00 0.00 C ATOM 323 O GLU A 24 12.526 -0.733 -4.038 1.00 0.00 O ATOM 324 CB GLU A 24 14.851 1.106 -2.493 1.00 0.00 C ATOM 325 CG GLU A 24 16.301 1.547 -2.286 1.00 0.00 C ATOM 326 CD GLU A 24 16.415 3.073 -2.279 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.887 3.677 -1.321 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.028 3.600 -3.232 1.00 0.00 O ATOM 0 H GLU A 24 14.220 1.420 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 24 15.642 -0.631 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.249 1.959 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.437 0.751 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.676 1.147 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.926 1.136 -3.078 1.00 0.00 H new ATOM 335 N ILE A 25 13.612 -1.736 -2.326 1.00 0.00 N ATOM 336 CA ILE A 25 12.509 -2.624 -2.000 1.00 0.00 C ATOM 337 C ILE A 25 12.335 -2.677 -0.481 1.00 0.00 C ATOM 338 O ILE A 25 13.312 -2.805 0.256 1.00 0.00 O ATOM 339 CB ILE A 25 12.717 -3.996 -2.643 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.585 -3.914 -4.165 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.769 -5.034 -2.041 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.830 -4.475 -4.855 1.00 0.00 C ATOM 0 H ILE A 25 14.436 -1.844 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 25 11.577 -2.241 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 25 13.733 -4.324 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.705 -4.470 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.435 -2.877 -4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.938 -6.000 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.955 -5.119 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.737 -4.724 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.710 -4.405 -5.936 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.705 -3.902 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.963 -5.519 -4.572 1.00 0.00 H new ATOM 354 N GLN A 26 11.083 -2.575 -0.057 1.00 0.00 N ATOM 355 CA GLN A 26 10.769 -2.610 1.361 1.00 0.00 C ATOM 356 C GLN A 26 9.519 -3.458 1.607 1.00 0.00 C ATOM 357 O GLN A 26 8.776 -3.759 0.674 1.00 0.00 O ATOM 358 CB GLN A 26 10.591 -1.197 1.918 1.00 0.00 C ATOM 359 CG GLN A 26 11.786 -0.794 2.784 1.00 0.00 C ATOM 360 CD GLN A 26 11.324 -0.131 4.084 1.00 0.00 C ATOM 361 OE1 GLN A 26 11.093 -0.778 5.092 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.201 1.191 4.003 1.00 0.00 N ATOM 0 H GLN A 26 10.275 -2.468 -0.671 1.00 0.00 H new ATOM 0 HA GLN A 26 11.606 -3.070 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.478 -0.490 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.676 -1.148 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.386 -1.674 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.426 -0.108 2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.411 1.670 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.897 1.726 4.817 1.00 0.00 H new ATOM 371 N SER A 27 9.325 -3.818 2.867 1.00 0.00 N ATOM 372 CA SER A 27 8.178 -4.625 3.247 1.00 0.00 C ATOM 373 C SER A 27 7.614 -4.136 4.582 1.00 0.00 C ATOM 374 O SER A 27 8.353 -3.981 5.553 1.00 0.00 O ATOM 375 CB SER A 27 8.553 -6.106 3.339 1.00 0.00 C ATOM 376 OG SER A 27 7.733 -6.807 4.270 1.00 0.00 O ATOM 0 H SER A 27 9.943 -3.566 3.638 1.00 0.00 H new ATOM 0 HA SER A 27 7.414 -4.519 2.477 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.459 -6.566 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.598 -6.198 3.635 1.00 0.00 H new ATOM 0 HG SER A 27 8.002 -7.749 4.299 1.00 0.00 H new ATOM 382 N PHE A 28 6.309 -3.908 4.589 1.00 0.00 N ATOM 383 CA PHE A 28 5.637 -3.439 5.789 1.00 0.00 C ATOM 384 C PHE A 28 4.474 -4.361 6.161 1.00 0.00 C ATOM 385 O PHE A 28 3.480 -4.435 5.440 1.00 0.00 O ATOM 386 CB PHE A 28 5.088 -2.045 5.479 1.00 0.00 C ATOM 387 CG PHE A 28 6.163 -1.020 5.112 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.983 -0.520 6.075 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.299 -0.609 3.823 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.980 0.431 5.735 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.297 0.342 3.482 1.00 0.00 C ATOM 392 CZ PHE A 28 8.116 0.842 4.446 1.00 0.00 C ATOM 0 H PHE A 28 5.699 -4.039 3.782 1.00 0.00 H new ATOM 0 HA PHE A 28 6.336 -3.424 6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.377 -2.121 4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.536 -1.682 6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.875 -0.847 7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.648 -1.006 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.631 0.828 6.500 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.406 0.668 2.458 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.875 1.566 4.187 1.00 0.00 H new ATOM 402 N LEU A 29 4.637 -5.041 7.286 1.00 0.00 N ATOM 403 CA LEU A 29 3.613 -5.955 7.763 1.00 0.00 C ATOM 404 C LEU A 29 2.474 -5.154 8.397 1.00 0.00 C ATOM 405 O LEU A 29 2.717 -4.179 9.107 1.00 0.00 O ATOM 406 CB LEU A 29 4.222 -7.002 8.698 1.00 0.00 C ATOM 407 CG LEU A 29 3.319 -8.182 9.063 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.291 -9.219 7.939 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.736 -8.798 10.400 1.00 0.00 C ATOM 0 H LEU A 29 5.463 -4.977 7.881 1.00 0.00 H new ATOM 0 HA LEU A 29 3.185 -6.514 6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.127 -7.393 8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.526 -6.505 9.619 1.00 0.00 H new ATOM 0 HG LEU A 29 2.302 -7.809 9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.642 -10.047 8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.911 -8.757 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.300 -9.593 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.078 -9.635 10.636 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.764 -9.153 10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.663 -8.046 11.186 1.00 0.00 H new ATOM 421 N VAL A 30 1.256 -5.594 8.118 1.00 0.00 N ATOM 422 CA VAL A 30 0.080 -4.929 8.651 1.00 0.00 C ATOM 423 C VAL A 30 -0.825 -5.964 9.323 1.00 0.00 C ATOM 424 O VAL A 30 -1.626 -6.619 8.657 1.00 0.00 O ATOM 425 CB VAL A 30 -0.628 -4.147 7.543 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.503 -3.037 8.128 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.382 -3.579 6.543 1.00 0.00 C ATOM 0 H VAL A 30 1.058 -6.403 7.529 1.00 0.00 H new ATOM 0 HA VAL A 30 0.365 -4.202 9.412 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.278 -4.839 7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.995 -2.497 7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.257 -3.475 8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.882 -2.347 8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.147 -3.028 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.069 -2.909 7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.944 -4.396 6.090 1.00 0.00 H new ATOM 437 N SER A 31 -0.666 -6.081 10.633 1.00 0.00 N ATOM 438 CA SER A 31 -1.459 -7.025 11.402 1.00 0.00 C ATOM 439 C SER A 31 -2.923 -6.582 11.426 1.00 0.00 C ATOM 440 O SER A 31 -3.815 -7.389 11.684 1.00 0.00 O ATOM 441 CB SER A 31 -0.922 -7.162 12.828 1.00 0.00 C ATOM 442 OG SER A 31 -1.444 -8.312 13.487 1.00 0.00 O ATOM 0 H SER A 31 0.000 -5.538 11.182 1.00 0.00 H new ATOM 0 HA SER A 31 -1.390 -8.001 10.921 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.166 -7.222 12.801 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.178 -6.270 13.399 1.00 0.00 H new ATOM 0 HG SER A 31 -1.076 -8.365 14.394 1.00 0.00 H new ATOM 448 N ASP A 32 -3.125 -5.302 11.153 1.00 0.00 N ATOM 449 CA ASP A 32 -4.466 -4.742 11.140 1.00 0.00 C ATOM 450 C ASP A 32 -4.642 -3.879 9.889 1.00 0.00 C ATOM 451 O ASP A 32 -4.718 -2.655 9.981 1.00 0.00 O ATOM 452 CB ASP A 32 -4.705 -3.855 12.363 1.00 0.00 C ATOM 453 CG ASP A 32 -3.724 -4.069 13.518 1.00 0.00 C ATOM 454 OD1 ASP A 32 -3.588 -5.238 13.939 1.00 0.00 O ATOM 455 OD2 ASP A 32 -3.131 -3.058 13.953 1.00 0.00 O ATOM 0 H ASP A 32 -2.383 -4.636 10.939 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.176 -5.569 11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.655 -2.812 12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.717 -4.030 12.728 1.00 0.00 H new ATOM 460 N PRO A 33 -4.702 -4.569 8.718 1.00 0.00 N ATOM 461 CA PRO A 33 -4.867 -3.878 7.450 1.00 0.00 C ATOM 462 C PRO A 33 -6.306 -3.388 7.276 1.00 0.00 C ATOM 463 O PRO A 33 -6.599 -2.626 6.357 1.00 0.00 O ATOM 464 CB PRO A 33 -4.453 -4.890 6.395 1.00 0.00 C ATOM 465 CG PRO A 33 -4.516 -6.249 7.072 1.00 0.00 C ATOM 466 CD PRO A 33 -4.616 -6.019 8.571 1.00 0.00 C ATOM 0 HA PRO A 33 -4.258 -2.977 7.379 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.120 -4.852 5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.448 -4.683 6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.377 -6.814 6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.629 -6.835 6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.493 -6.512 8.990 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.746 -6.419 9.092 1.00 0.00 H new ATOM 474 N GLU A 34 -7.166 -3.846 8.174 1.00 0.00 N ATOM 475 CA GLU A 34 -8.567 -3.464 8.131 1.00 0.00 C ATOM 476 C GLU A 34 -8.850 -2.367 9.160 1.00 0.00 C ATOM 477 O GLU A 34 -9.824 -1.627 9.032 1.00 0.00 O ATOM 478 CB GLU A 34 -9.474 -4.676 8.359 1.00 0.00 C ATOM 479 CG GLU A 34 -8.831 -5.666 9.332 1.00 0.00 C ATOM 480 CD GLU A 34 -9.817 -6.769 9.722 1.00 0.00 C ATOM 481 OE1 GLU A 34 -10.634 -6.505 10.631 1.00 0.00 O ATOM 482 OE2 GLU A 34 -9.730 -7.852 9.104 1.00 0.00 O ATOM 0 H GLU A 34 -6.919 -4.478 8.936 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.785 -3.070 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.436 -4.346 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.671 -5.171 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.946 -6.109 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.497 -5.139 10.226 1.00 0.00 H new ATOM 489 N ASN A 35 -7.981 -2.297 10.157 1.00 0.00 N ATOM 490 CA ASN A 35 -8.125 -1.303 11.207 1.00 0.00 C ATOM 491 C ASN A 35 -7.373 -0.032 10.806 1.00 0.00 C ATOM 492 O ASN A 35 -7.922 1.067 10.879 1.00 0.00 O ATOM 493 CB ASN A 35 -7.534 -1.805 12.526 1.00 0.00 C ATOM 494 CG ASN A 35 -7.327 -0.651 13.509 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.112 -0.426 14.415 1.00 0.00 O ATOM 496 ND2 ASN A 35 -6.229 0.064 13.280 1.00 0.00 N ATOM 0 H ASN A 35 -7.174 -2.913 10.260 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.189 -1.105 11.341 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.199 -2.548 12.967 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.582 -2.301 12.337 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.001 0.856 13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.615 -0.180 12.503 1.00 0.00 H new ATOM 503 N THR A 36 -6.130 -0.224 10.391 1.00 0.00 N ATOM 504 CA THR A 36 -5.298 0.894 9.979 1.00 0.00 C ATOM 505 C THR A 36 -5.935 1.625 8.795 1.00 0.00 C ATOM 506 O THR A 36 -6.798 1.075 8.113 1.00 0.00 O ATOM 507 CB THR A 36 -3.898 0.356 9.677 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.054 1.498 9.793 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.739 -0.079 8.219 1.00 0.00 C ATOM 0 H THR A 36 -5.679 -1.137 10.331 1.00 0.00 H new ATOM 0 HA THR A 36 -5.213 1.636 10.773 1.00 0.00 H new ATOM 0 HB THR A 36 -3.685 -0.489 10.332 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.126 1.238 9.614 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.728 -0.452 8.059 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.457 -0.868 7.994 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.919 0.773 7.563 1.00 0.00 H new ATOM 517 N THR A 37 -5.486 2.854 8.588 1.00 0.00 N ATOM 518 CA THR A 37 -6.002 3.666 7.499 1.00 0.00 C ATOM 519 C THR A 37 -4.919 3.889 6.442 1.00 0.00 C ATOM 520 O THR A 37 -3.729 3.853 6.749 1.00 0.00 O ATOM 521 CB THR A 37 -6.546 4.966 8.095 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.422 5.542 8.757 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.553 4.718 9.220 1.00 0.00 C ATOM 0 H THR A 37 -4.770 3.307 9.156 1.00 0.00 H new ATOM 0 HA THR A 37 -6.819 3.162 6.982 1.00 0.00 H new ATOM 0 HB THR A 37 -7.017 5.556 7.309 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.685 6.390 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.908 5.673 9.608 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.397 4.147 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.072 4.157 10.021 1.00 0.00 H new ATOM 531 N TRP A 38 -5.371 4.114 5.217 1.00 0.00 N ATOM 532 CA TRP A 38 -4.456 4.343 4.111 1.00 0.00 C ATOM 533 C TRP A 38 -3.534 5.503 4.493 1.00 0.00 C ATOM 534 O TRP A 38 -2.352 5.498 4.155 1.00 0.00 O ATOM 535 CB TRP A 38 -5.220 4.590 2.809 1.00 0.00 C ATOM 536 CG TRP A 38 -4.345 5.098 1.661 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.468 6.242 0.974 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.200 4.429 1.091 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.491 6.359 0.007 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.695 5.221 0.080 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.611 3.196 1.419 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.578 4.867 -0.685 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.495 2.856 0.645 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.975 3.642 -0.376 1.00 0.00 C ATOM 0 H TRP A 38 -6.359 4.143 4.966 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.845 3.459 3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.703 3.662 2.501 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.012 5.315 2.996 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.236 6.980 1.155 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.374 7.137 -0.642 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.989 2.561 2.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.201 5.504 -1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.004 1.917 0.856 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.109 3.309 -0.929 1.00 0.00 H new ATOM 555 N ALA A 39 -4.110 6.469 5.193 1.00 0.00 N ATOM 556 CA ALA A 39 -3.355 7.633 5.625 1.00 0.00 C ATOM 557 C ALA A 39 -2.157 7.177 6.460 1.00 0.00 C ATOM 558 O ALA A 39 -1.062 7.723 6.331 1.00 0.00 O ATOM 559 CB ALA A 39 -4.276 8.582 6.394 1.00 0.00 C ATOM 0 H ALA A 39 -5.091 6.470 5.472 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.968 8.181 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.710 9.455 6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.094 8.899 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.682 8.068 7.266 1.00 0.00 H new ATOM 565 N ASP A 40 -2.406 6.182 7.299 1.00 0.00 N ATOM 566 CA ASP A 40 -1.361 5.647 8.156 1.00 0.00 C ATOM 567 C ASP A 40 -0.279 5.000 7.290 1.00 0.00 C ATOM 568 O ASP A 40 0.909 5.104 7.592 1.00 0.00 O ATOM 569 CB ASP A 40 -1.916 4.577 9.098 1.00 0.00 C ATOM 570 CG ASP A 40 -2.072 5.016 10.555 1.00 0.00 C ATOM 571 OD1 ASP A 40 -1.032 5.356 11.160 1.00 0.00 O ATOM 572 OD2 ASP A 40 -3.228 5.003 11.031 1.00 0.00 O ATOM 0 H ASP A 40 -3.316 5.732 7.404 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.953 6.469 8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.888 4.255 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.258 3.708 9.064 1.00 0.00 H new ATOM 577 N ILE A 41 -0.728 4.345 6.229 1.00 0.00 N ATOM 578 CA ILE A 41 0.187 3.680 5.317 1.00 0.00 C ATOM 579 C ILE A 41 1.005 4.732 4.566 1.00 0.00 C ATOM 580 O ILE A 41 2.233 4.742 4.644 1.00 0.00 O ATOM 581 CB ILE A 41 -0.574 2.722 4.399 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.471 1.783 5.208 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.388 1.953 3.490 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.643 0.710 5.919 1.00 0.00 C ATOM 0 H ILE A 41 -1.714 4.261 5.981 1.00 0.00 H new ATOM 0 HA ILE A 41 0.894 3.061 5.870 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.225 3.312 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.036 2.357 5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.197 1.309 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.179 1.279 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.947 2.657 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.082 1.375 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.305 0.056 6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.098 0.122 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.065 1.187 6.597 1.00 0.00 H new ATOM 596 N GLU A 42 0.292 5.593 3.855 1.00 0.00 N ATOM 597 CA GLU A 42 0.936 6.647 3.090 1.00 0.00 C ATOM 598 C GLU A 42 2.121 7.221 3.870 1.00 0.00 C ATOM 599 O GLU A 42 3.268 7.096 3.444 1.00 0.00 O ATOM 600 CB GLU A 42 -0.062 7.747 2.722 1.00 0.00 C ATOM 601 CG GLU A 42 0.419 8.540 1.506 1.00 0.00 C ATOM 602 CD GLU A 42 -0.753 8.915 0.597 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.573 9.747 1.043 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.803 8.362 -0.523 1.00 0.00 O ATOM 0 H GLU A 42 -0.726 5.582 3.793 1.00 0.00 H new ATOM 0 HA GLU A 42 1.311 6.217 2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.035 7.304 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.196 8.420 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.931 9.444 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.144 7.949 0.946 1.00 0.00 H new ATOM 611 N ALA A 43 1.803 7.837 4.999 1.00 0.00 N ATOM 612 CA ALA A 43 2.826 8.430 5.842 1.00 0.00 C ATOM 613 C ALA A 43 3.944 7.411 6.074 1.00 0.00 C ATOM 614 O ALA A 43 5.102 7.670 5.752 1.00 0.00 O ATOM 615 CB ALA A 43 2.195 8.911 7.150 1.00 0.00 C ATOM 0 H ALA A 43 0.850 7.938 5.349 1.00 0.00 H new ATOM 0 HA ALA A 43 3.268 9.299 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.963 9.356 7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.428 9.655 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.743 8.065 7.669 1.00 0.00 H new ATOM 621 N MET A 44 3.556 6.272 6.630 1.00 0.00 N ATOM 622 CA MET A 44 4.511 5.213 6.908 1.00 0.00 C ATOM 623 C MET A 44 5.554 5.108 5.794 1.00 0.00 C ATOM 624 O MET A 44 6.733 5.379 6.016 1.00 0.00 O ATOM 625 CB MET A 44 3.770 3.880 7.042 1.00 0.00 C ATOM 626 CG MET A 44 4.598 2.870 7.838 1.00 0.00 C ATOM 627 SD MET A 44 3.527 1.646 8.573 1.00 0.00 S ATOM 628 CE MET A 44 2.847 0.905 7.098 1.00 0.00 C ATOM 0 H MET A 44 2.594 6.060 6.895 1.00 0.00 H new ATOM 0 HA MET A 44 5.025 5.449 7.840 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.812 4.041 7.537 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.554 3.479 6.052 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.322 2.385 7.184 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.164 3.384 8.615 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.206 0.068 7.374 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.261 1.647 6.555 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.658 0.548 6.463 1.00 0.00 H new ATOM 638 N VAL A 45 5.082 4.715 4.620 1.00 0.00 N ATOM 639 CA VAL A 45 5.960 4.571 3.471 1.00 0.00 C ATOM 640 C VAL A 45 6.728 5.876 3.255 1.00 0.00 C ATOM 641 O VAL A 45 7.940 5.860 3.049 1.00 0.00 O ATOM 642 CB VAL A 45 5.150 4.143 2.245 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.015 4.165 0.983 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.522 2.765 2.456 1.00 0.00 C ATOM 0 H VAL A 45 4.103 4.492 4.440 1.00 0.00 H new ATOM 0 HA VAL A 45 6.696 3.787 3.648 1.00 0.00 H new ATOM 0 HB VAL A 45 4.341 4.861 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.416 3.857 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.392 5.174 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.854 3.480 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.952 2.485 1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.308 2.030 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.858 2.796 3.320 1.00 0.00 H new ATOM 654 N LYS A 46 5.991 6.975 3.310 1.00 0.00 N ATOM 655 CA LYS A 46 6.588 8.287 3.123 1.00 0.00 C ATOM 656 C LYS A 46 7.771 8.445 4.080 1.00 0.00 C ATOM 657 O LYS A 46 8.924 8.461 3.650 1.00 0.00 O ATOM 658 CB LYS A 46 5.530 9.383 3.267 1.00 0.00 C ATOM 659 CG LYS A 46 4.576 9.385 2.070 1.00 0.00 C ATOM 660 CD LYS A 46 3.431 10.377 2.284 1.00 0.00 C ATOM 661 CE LYS A 46 3.958 11.724 2.782 1.00 0.00 C ATOM 662 NZ LYS A 46 3.805 11.830 4.250 1.00 0.00 N ATOM 0 H LYS A 46 4.986 6.984 3.481 1.00 0.00 H new ATOM 0 HA LYS A 46 6.980 8.386 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.965 9.230 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.017 10.355 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.124 9.646 1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.172 8.384 1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.888 10.518 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.723 9.970 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.008 11.833 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.417 12.535 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.720 12.831 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.950 11.318 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.637 11.416 4.717 1.00 0.00 H new ATOM 676 N VAL A 47 7.446 8.558 5.359 1.00 0.00 N ATOM 677 CA VAL A 47 8.468 8.715 6.380 1.00 0.00 C ATOM 678 C VAL A 47 9.510 7.606 6.226 1.00 0.00 C ATOM 679 O VAL A 47 10.711 7.863 6.301 1.00 0.00 O ATOM 680 CB VAL A 47 7.822 8.739 7.767 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.766 9.843 7.861 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.222 7.376 8.117 1.00 0.00 C ATOM 0 H VAL A 47 6.489 8.544 5.712 1.00 0.00 H new ATOM 0 HA VAL A 47 8.985 9.667 6.260 1.00 0.00 H new ATOM 0 HB VAL A 47 8.602 8.958 8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.322 9.838 8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.233 10.810 7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.989 9.668 7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.770 7.421 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.461 7.114 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.007 6.620 8.111 1.00 0.00 H new ATOM 692 N SER A 48 9.014 6.396 6.013 1.00 0.00 N ATOM 693 CA SER A 48 9.888 5.247 5.848 1.00 0.00 C ATOM 694 C SER A 48 10.951 5.546 4.789 1.00 0.00 C ATOM 695 O SER A 48 12.079 5.065 4.883 1.00 0.00 O ATOM 696 CB SER A 48 9.091 4.000 5.462 1.00 0.00 C ATOM 697 OG SER A 48 8.468 3.393 6.591 1.00 0.00 O ATOM 0 H SER A 48 8.018 6.186 5.951 1.00 0.00 H new ATOM 0 HA SER A 48 10.379 5.051 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.330 4.269 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.754 3.280 4.983 1.00 0.00 H new ATOM 0 HG SER A 48 8.213 2.473 6.369 1.00 0.00 H new ATOM 703 N PHE A 49 10.554 6.340 3.805 1.00 0.00 N ATOM 704 CA PHE A 49 11.458 6.709 2.729 1.00 0.00 C ATOM 705 C PHE A 49 11.734 8.214 2.738 1.00 0.00 C ATOM 706 O PHE A 49 12.244 8.760 1.761 1.00 0.00 O ATOM 707 CB PHE A 49 10.767 6.337 1.416 1.00 0.00 C ATOM 708 CG PHE A 49 10.883 4.856 1.050 1.00 0.00 C ATOM 709 CD1 PHE A 49 10.024 3.951 1.593 1.00 0.00 C ATOM 710 CD2 PHE A 49 11.845 4.443 0.181 1.00 0.00 C ATOM 711 CE1 PHE A 49 10.132 2.577 1.253 1.00 0.00 C ATOM 712 CE2 PHE A 49 11.953 3.069 -0.158 1.00 0.00 C ATOM 713 CZ PHE A 49 11.094 2.164 0.385 1.00 0.00 C ATOM 0 H PHE A 49 9.618 6.738 3.731 1.00 0.00 H new ATOM 0 HA PHE A 49 12.410 6.191 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.712 6.602 1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.194 6.934 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.260 4.278 2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.527 5.161 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.450 1.859 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.717 2.742 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.176 1.119 0.127 1.00 0.00 H new ATOM 723 N ASP A 50 11.386 8.841 3.851 1.00 0.00 N ATOM 724 CA ASP A 50 11.590 10.272 4.000 1.00 0.00 C ATOM 725 C ASP A 50 11.140 10.982 2.721 1.00 0.00 C ATOM 726 O ASP A 50 11.967 11.375 1.901 1.00 0.00 O ATOM 727 CB ASP A 50 13.068 10.597 4.225 1.00 0.00 C ATOM 728 CG ASP A 50 13.336 11.918 4.949 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.339 12.587 5.297 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.532 12.230 5.136 1.00 0.00 O ATOM 0 H ASP A 50 10.964 8.384 4.659 1.00 0.00 H new ATOM 0 HA ASP A 50 11.012 10.608 4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.519 9.787 4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.571 10.621 3.258 1.00 0.00 H new ATOM 735 N LEU A 51 9.829 11.126 2.593 1.00 0.00 N ATOM 736 CA LEU A 51 9.258 11.782 1.429 1.00 0.00 C ATOM 737 C LEU A 51 8.121 12.704 1.874 1.00 0.00 C ATOM 738 O LEU A 51 7.435 12.419 2.854 1.00 0.00 O ATOM 739 CB LEU A 51 8.838 10.747 0.383 1.00 0.00 C ATOM 740 CG LEU A 51 9.899 9.717 -0.007 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.284 8.574 -0.817 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.063 10.381 -0.745 1.00 0.00 C ATOM 0 H LEU A 51 9.146 10.799 3.276 1.00 0.00 H new ATOM 0 HA LEU A 51 10.004 12.409 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.964 10.214 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.526 11.276 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 51 10.303 9.282 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.061 7.856 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.518 8.077 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.835 8.973 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.803 9.626 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.693 10.861 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.523 11.129 -0.100 1.00 0.00 H new ATOM 754 N ASN A 52 7.958 13.790 1.132 1.00 0.00 N ATOM 755 CA ASN A 52 6.916 14.755 1.438 1.00 0.00 C ATOM 756 C ASN A 52 5.619 14.337 0.742 1.00 0.00 C ATOM 757 O ASN A 52 4.568 14.259 1.376 1.00 0.00 O ATOM 758 CB ASN A 52 7.294 16.150 0.937 1.00 0.00 C ATOM 759 CG ASN A 52 7.201 17.181 2.064 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.997 17.202 2.988 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.188 18.033 1.936 1.00 0.00 N ATOM 0 H ASN A 52 8.530 14.023 0.320 1.00 0.00 H new ATOM 0 HA ASN A 52 6.789 14.783 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.308 16.134 0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.633 16.438 0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.041 18.760 2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.558 17.960 1.137 1.00 0.00 H new ATOM 768 N THR A 53 5.737 14.080 -0.552 1.00 0.00 N ATOM 769 CA THR A 53 4.587 13.672 -1.341 1.00 0.00 C ATOM 770 C THR A 53 4.928 12.443 -2.185 1.00 0.00 C ATOM 771 O THR A 53 5.921 12.440 -2.911 1.00 0.00 O ATOM 772 CB THR A 53 4.134 14.874 -2.173 1.00 0.00 C ATOM 773 OG1 THR A 53 5.343 15.395 -2.717 1.00 0.00 O ATOM 774 CG2 THR A 53 3.593 16.014 -1.308 1.00 0.00 C ATOM 0 H THR A 53 6.611 14.146 -1.074 1.00 0.00 H new ATOM 0 HA THR A 53 3.757 13.369 -0.703 1.00 0.00 H new ATOM 0 HB THR A 53 3.366 14.558 -2.879 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.903 14.657 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.286 16.842 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.736 15.661 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.372 16.353 -0.625 1.00 0.00 H new ATOM 782 N ILE A 54 4.085 11.428 -2.062 1.00 0.00 N ATOM 783 CA ILE A 54 4.285 10.195 -2.805 1.00 0.00 C ATOM 784 C ILE A 54 2.940 9.706 -3.345 1.00 0.00 C ATOM 785 O ILE A 54 1.886 10.127 -2.870 1.00 0.00 O ATOM 786 CB ILE A 54 5.014 9.162 -1.943 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.040 8.448 -1.003 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.177 9.804 -1.183 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.763 7.394 -0.162 1.00 0.00 C ATOM 0 H ILE A 54 3.262 11.434 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 54 4.930 10.370 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 54 5.439 8.405 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.562 9.176 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.249 7.975 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.678 9.048 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.886 10.228 -1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.796 10.593 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.048 6.902 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.219 6.654 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.537 7.874 0.436 1.00 0.00 H new ATOM 801 N GLN A 55 3.019 8.824 -4.331 1.00 0.00 N ATOM 802 CA GLN A 55 1.821 8.274 -4.940 1.00 0.00 C ATOM 803 C GLN A 55 1.953 6.757 -5.096 1.00 0.00 C ATOM 804 O GLN A 55 1.977 6.244 -6.214 1.00 0.00 O ATOM 805 CB GLN A 55 1.535 8.941 -6.287 1.00 0.00 C ATOM 806 CG GLN A 55 0.033 8.964 -6.580 1.00 0.00 C ATOM 807 CD GLN A 55 -0.695 9.918 -5.630 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.418 11.104 -5.567 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.640 9.335 -4.898 1.00 0.00 N ATOM 0 H GLN A 55 3.895 8.477 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 55 0.976 8.480 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.924 9.959 -6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.056 8.405 -7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.135 9.273 -7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.377 7.959 -6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.821 8.336 -5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.184 9.886 -4.234 1.00 0.00 H new ATOM 818 N ILE A 56 2.036 6.083 -3.959 1.00 0.00 N ATOM 819 CA ILE A 56 2.165 4.635 -3.955 1.00 0.00 C ATOM 820 C ILE A 56 1.296 4.047 -5.069 1.00 0.00 C ATOM 821 O ILE A 56 0.307 4.654 -5.475 1.00 0.00 O ATOM 822 CB ILE A 56 1.851 4.073 -2.568 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.867 4.564 -1.534 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.761 2.546 -2.602 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.226 4.686 -0.150 1.00 0.00 C ATOM 0 H ILE A 56 2.017 6.512 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 56 3.194 4.343 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 56 0.874 4.446 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.709 3.873 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.265 5.531 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.537 2.172 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.970 2.243 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.712 2.133 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.970 5.037 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.400 5.396 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.851 3.712 0.164 1.00 0.00 H new ATOM 837 N LYS A 57 1.698 2.872 -5.530 1.00 0.00 N ATOM 838 CA LYS A 57 0.968 2.195 -6.589 1.00 0.00 C ATOM 839 C LYS A 57 1.194 0.686 -6.473 1.00 0.00 C ATOM 840 O LYS A 57 2.331 0.220 -6.520 1.00 0.00 O ATOM 841 CB LYS A 57 1.347 2.771 -7.954 1.00 0.00 C ATOM 842 CG LYS A 57 0.641 4.106 -8.201 1.00 0.00 C ATOM 843 CD LYS A 57 0.241 4.251 -9.671 1.00 0.00 C ATOM 844 CE LYS A 57 -0.079 5.708 -10.010 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.288 5.789 -10.860 1.00 0.00 N ATOM 0 H LYS A 57 2.519 2.371 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.103 2.366 -6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.427 2.911 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.079 2.063 -8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.246 4.175 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.299 4.927 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.050 3.895 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.628 3.626 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.234 6.275 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.767 6.162 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.658 6.761 -10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.044 5.526 -11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.012 5.137 -10.497 1.00 0.00 H new ATOM 859 N TYR A 58 0.093 -0.036 -6.325 1.00 0.00 N ATOM 860 CA TYR A 58 0.156 -1.482 -6.203 1.00 0.00 C ATOM 861 C TYR A 58 -0.410 -2.163 -7.451 1.00 0.00 C ATOM 862 O TYR A 58 -1.368 -1.676 -8.048 1.00 0.00 O ATOM 863 CB TYR A 58 -0.717 -1.843 -5.000 1.00 0.00 C ATOM 864 CG TYR A 58 -2.208 -1.954 -5.323 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.692 -3.074 -5.967 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.068 -0.934 -4.971 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.096 -3.178 -6.272 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.472 -1.038 -5.276 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.916 -2.155 -5.911 1.00 0.00 C ATOM 870 OH TYR A 58 -6.242 -2.254 -6.199 1.00 0.00 O ATOM 0 H TYR A 58 -0.849 0.354 -6.287 1.00 0.00 H new ATOM 0 HA TYR A 58 1.188 -1.812 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.374 -2.792 -4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.579 -1.089 -4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.019 -3.872 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.688 -0.058 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.489 -4.049 -6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.156 -0.247 -5.006 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.359 -2.750 -7.036 1.00 0.00 H new ATOM 880 N LEU A 59 0.207 -3.280 -7.808 1.00 0.00 N ATOM 881 CA LEU A 59 -0.223 -4.033 -8.974 1.00 0.00 C ATOM 882 C LEU A 59 -1.454 -4.866 -8.612 1.00 0.00 C ATOM 883 O LEU A 59 -1.427 -5.636 -7.653 1.00 0.00 O ATOM 884 CB LEU A 59 0.935 -4.860 -9.535 1.00 0.00 C ATOM 885 CG LEU A 59 1.868 -4.135 -10.507 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.810 -5.121 -11.201 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.071 -3.300 -11.511 1.00 0.00 C ATOM 0 H LEU A 59 1.001 -3.682 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.519 -3.357 -9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.529 -5.230 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.521 -5.732 -10.042 1.00 0.00 H new ATOM 0 HG LEU A 59 2.489 -3.445 -9.935 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.462 -4.580 -11.886 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.415 -5.634 -10.453 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.225 -5.852 -11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.758 -2.795 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.409 -3.951 -12.082 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.477 -2.558 -10.977 1.00 0.00 H new ATOM 899 N ASP A 60 -2.505 -4.682 -9.397 1.00 0.00 N ATOM 900 CA ASP A 60 -3.744 -5.406 -9.171 1.00 0.00 C ATOM 901 C ASP A 60 -3.631 -6.804 -9.783 1.00 0.00 C ATOM 902 O ASP A 60 -2.529 -7.324 -9.954 1.00 0.00 O ATOM 903 CB ASP A 60 -4.927 -4.695 -9.833 1.00 0.00 C ATOM 904 CG ASP A 60 -6.176 -4.569 -8.959 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.795 -5.623 -8.697 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.484 -3.420 -8.573 1.00 0.00 O ATOM 0 H ASP A 60 -2.524 -4.042 -10.191 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.912 -5.460 -8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.610 -3.696 -10.133 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.192 -5.233 -10.743 1.00 0.00 H new ATOM 911 N GLU A 61 -4.786 -7.374 -10.095 1.00 0.00 N ATOM 912 CA GLU A 61 -4.831 -8.702 -10.684 1.00 0.00 C ATOM 913 C GLU A 61 -4.662 -8.615 -12.202 1.00 0.00 C ATOM 914 O GLU A 61 -4.897 -9.591 -12.913 1.00 0.00 O ATOM 915 CB GLU A 61 -6.130 -9.421 -10.317 1.00 0.00 C ATOM 916 CG GLU A 61 -6.106 -9.886 -8.859 1.00 0.00 C ATOM 917 CD GLU A 61 -6.651 -11.310 -8.729 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.891 -11.436 -8.629 1.00 0.00 O ATOM 919 OE2 GLU A 61 -5.816 -12.240 -8.733 1.00 0.00 O ATOM 0 H GLU A 61 -5.698 -6.940 -9.951 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.005 -9.286 -10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.977 -8.753 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.273 -10.279 -10.974 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.086 -9.847 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.701 -9.208 -8.247 1.00 0.00 H new ATOM 926 N GLU A 62 -4.257 -7.437 -12.654 1.00 0.00 N ATOM 927 CA GLU A 62 -4.054 -7.211 -14.075 1.00 0.00 C ATOM 928 C GLU A 62 -2.620 -6.746 -14.339 1.00 0.00 C ATOM 929 O GLU A 62 -2.254 -6.471 -15.481 1.00 0.00 O ATOM 930 CB GLU A 62 -5.067 -6.201 -14.619 1.00 0.00 C ATOM 931 CG GLU A 62 -6.495 -6.734 -14.491 1.00 0.00 C ATOM 932 CD GLU A 62 -7.321 -6.394 -15.733 1.00 0.00 C ATOM 933 OE1 GLU A 62 -6.904 -6.830 -16.828 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.350 -5.705 -15.560 1.00 0.00 O ATOM 0 H GLU A 62 -4.064 -6.629 -12.062 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.212 -8.153 -14.600 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.976 -5.261 -14.076 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.847 -5.987 -15.665 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.472 -7.815 -14.350 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.968 -6.307 -13.607 1.00 0.00 H new ATOM 941 N ASN A 63 -1.848 -6.674 -13.265 1.00 0.00 N ATOM 942 CA ASN A 63 -0.463 -6.247 -13.366 1.00 0.00 C ATOM 943 C ASN A 63 -0.416 -4.750 -13.680 1.00 0.00 C ATOM 944 O ASN A 63 0.554 -4.264 -14.259 1.00 0.00 O ATOM 945 CB ASN A 63 0.261 -6.989 -14.492 1.00 0.00 C ATOM 946 CG ASN A 63 1.505 -7.706 -13.964 1.00 0.00 C ATOM 947 OD1 ASN A 63 1.551 -8.178 -12.840 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.508 -7.762 -14.836 1.00 0.00 N ATOM 0 H ASN A 63 -2.155 -6.904 -12.320 1.00 0.00 H new ATOM 0 HA ASN A 63 0.027 -6.464 -12.417 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.414 -7.713 -14.948 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.547 -6.284 -15.272 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.382 -8.221 -14.579 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.403 -7.346 -15.761 1.00 0.00 H new ATOM 955 N GLU A 64 -1.477 -4.062 -13.284 1.00 0.00 N ATOM 956 CA GLU A 64 -1.569 -2.630 -13.516 1.00 0.00 C ATOM 957 C GLU A 64 -1.417 -1.868 -12.197 1.00 0.00 C ATOM 958 O GLU A 64 -2.111 -2.160 -11.224 1.00 0.00 O ATOM 959 CB GLU A 64 -2.885 -2.271 -14.209 1.00 0.00 C ATOM 960 CG GLU A 64 -2.881 -2.734 -15.667 1.00 0.00 C ATOM 961 CD GLU A 64 -4.273 -2.602 -16.287 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.002 -1.682 -15.856 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.577 -3.424 -17.179 1.00 0.00 O ATOM 0 H GLU A 64 -2.280 -4.469 -12.804 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.755 -2.335 -14.179 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.717 -2.734 -13.679 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.040 -1.193 -14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.167 -2.142 -16.239 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.551 -3.771 -15.722 1.00 0.00 H new ATOM 970 N GLU A 65 -0.505 -0.907 -12.208 1.00 0.00 N ATOM 971 CA GLU A 65 -0.254 -0.101 -11.026 1.00 0.00 C ATOM 972 C GLU A 65 -1.536 0.608 -10.584 1.00 0.00 C ATOM 973 O GLU A 65 -2.172 1.299 -11.378 1.00 0.00 O ATOM 974 CB GLU A 65 0.871 0.905 -11.277 1.00 0.00 C ATOM 975 CG GLU A 65 2.234 0.299 -10.940 1.00 0.00 C ATOM 976 CD GLU A 65 3.302 1.388 -10.812 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.252 2.331 -11.631 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.144 1.253 -9.898 1.00 0.00 O ATOM 0 H GLU A 65 0.069 -0.669 -13.017 1.00 0.00 H new ATOM 0 HA GLU A 65 0.068 -0.762 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.857 1.219 -12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.707 1.798 -10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.167 -0.261 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.523 -0.409 -11.716 1.00 0.00 H new ATOM 985 N VAL A 66 -1.876 0.413 -9.319 1.00 0.00 N ATOM 986 CA VAL A 66 -3.070 1.025 -8.762 1.00 0.00 C ATOM 987 C VAL A 66 -2.673 1.962 -7.619 1.00 0.00 C ATOM 988 O VAL A 66 -2.095 1.524 -6.626 1.00 0.00 O ATOM 989 CB VAL A 66 -4.061 -0.058 -8.330 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.305 0.561 -7.689 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.441 -0.955 -9.510 1.00 0.00 C ATOM 0 H VAL A 66 -1.345 -0.160 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.576 1.628 -9.516 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.572 -0.680 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.993 -0.230 -7.391 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.013 1.138 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.796 1.217 -8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.146 -1.716 -9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.902 -0.352 -10.292 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.546 -1.437 -9.904 1.00 0.00 H new ATOM 1001 N SER A 67 -2.999 3.234 -7.799 1.00 0.00 N ATOM 1002 CA SER A 67 -2.683 4.236 -6.795 1.00 0.00 C ATOM 1003 C SER A 67 -3.813 4.321 -5.767 1.00 0.00 C ATOM 1004 O SER A 67 -4.988 4.348 -6.130 1.00 0.00 O ATOM 1005 CB SER A 67 -2.447 5.604 -7.438 1.00 0.00 C ATOM 1006 OG SER A 67 -3.667 6.305 -7.665 1.00 0.00 O ATOM 0 H SER A 67 -3.478 3.593 -8.625 1.00 0.00 H new ATOM 0 HA SER A 67 -1.764 3.938 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.801 6.200 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.922 5.474 -8.384 1.00 0.00 H new ATOM 0 HG SER A 67 -3.474 7.174 -8.075 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.418 4.360 -4.503 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.382 4.441 -3.419 1.00 0.00 C ATOM 1014 C ILE A 68 -4.423 5.874 -2.884 1.00 0.00 C ATOM 1015 O ILE A 68 -3.385 6.448 -2.557 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.074 3.393 -2.348 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -4.068 1.984 -2.945 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.043 3.512 -1.169 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.636 0.950 -1.904 1.00 0.00 C ATOM 0 H ILE A 68 -2.443 4.337 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.383 4.207 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.073 3.583 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.063 1.738 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.392 1.950 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.802 2.756 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.954 4.503 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.064 3.362 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.640 -0.043 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.631 1.185 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.328 0.970 -1.062 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.632 6.411 -2.811 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.821 7.765 -2.321 1.00 0.00 C ATOM 1033 C ASN A 69 -6.601 7.723 -1.006 1.00 0.00 C ATOM 1034 O ASN A 69 -6.300 8.472 -0.077 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.621 8.605 -3.319 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.698 9.510 -4.138 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.575 10.699 -3.895 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -5.058 8.882 -5.121 1.00 0.00 N ATOM 0 H ASN A 69 -6.491 5.932 -3.083 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.837 8.213 -2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.179 7.949 -3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.352 9.213 -2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.419 9.399 -5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.206 7.884 -5.270 1.00 0.00 H new ATOM 1045 N SER A 70 -7.589 6.841 -0.969 1.00 0.00 N ATOM 1046 CA SER A 70 -8.415 6.691 0.217 1.00 0.00 C ATOM 1047 C SER A 70 -8.334 5.253 0.733 1.00 0.00 C ATOM 1048 O SER A 70 -7.674 4.409 0.129 1.00 0.00 O ATOM 1049 CB SER A 70 -9.868 7.071 -0.073 1.00 0.00 C ATOM 1050 OG SER A 70 -10.403 7.936 0.925 1.00 0.00 O ATOM 0 H SER A 70 -7.836 6.223 -1.742 1.00 0.00 H new ATOM 0 HA SER A 70 -8.038 7.367 0.985 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.928 7.559 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.474 6.167 -0.132 1.00 0.00 H new ATOM 0 HG SER A 70 -11.332 8.157 0.703 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.016 5.018 1.844 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.030 3.697 2.448 1.00 0.00 C ATOM 1058 C GLN A 71 -9.647 2.680 1.486 1.00 0.00 C ATOM 1059 O GLN A 71 -9.056 1.635 1.218 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.778 3.712 3.783 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.909 2.298 4.354 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.097 2.150 5.643 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.389 2.752 6.664 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.065 1.318 5.539 1.00 0.00 N ATOM 0 H GLN A 71 -9.563 5.720 2.342 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.001 3.400 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.249 4.347 4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.769 4.145 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.958 2.078 4.553 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.565 1.571 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.877 0.846 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.461 1.151 6.344 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.829 3.021 0.993 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.532 2.151 0.066 1.00 0.00 C ATOM 1075 C GLY A 72 -10.566 1.529 -0.944 1.00 0.00 C ATOM 1076 O GLY A 72 -10.606 0.324 -1.187 1.00 0.00 O ATOM 0 H GLY A 72 -11.317 3.888 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.043 1.363 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.298 2.719 -0.461 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.719 2.380 -1.505 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.743 1.929 -2.483 1.00 0.00 C ATOM 1082 C GLU A 73 -7.789 0.913 -1.852 1.00 0.00 C ATOM 1083 O GLU A 73 -7.433 -0.083 -2.480 1.00 0.00 O ATOM 1084 CB GLU A 73 -7.973 3.111 -3.074 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.783 3.799 -4.174 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.862 4.462 -5.201 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.374 3.724 -6.084 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.667 5.690 -5.079 1.00 0.00 O ATOM 0 H GLU A 73 -9.688 3.379 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.275 1.440 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.740 3.828 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.023 2.764 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.422 3.069 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.440 4.548 -3.732 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.402 1.200 -0.618 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.496 0.324 0.105 1.00 0.00 C ATOM 1097 C TYR A 74 -7.183 -0.993 0.473 1.00 0.00 C ATOM 1098 O TYR A 74 -6.618 -2.068 0.277 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.125 1.068 1.390 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.084 0.347 2.248 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.099 -0.411 1.646 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.129 0.454 3.623 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.119 -1.090 2.454 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.149 -0.225 4.430 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.192 -0.963 3.806 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.266 -1.604 4.569 1.00 0.00 O ATOM 0 H TYR A 74 -7.699 2.027 -0.100 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.626 0.084 -0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.745 2.056 1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.027 1.220 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.064 -0.495 0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.899 1.047 4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.344 -1.687 1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.173 -0.150 5.507 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.718 -2.112 5.275 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.392 -0.865 0.999 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.163 -2.032 1.396 1.00 0.00 C ATOM 1118 C GLU A 75 -9.103 -3.103 0.305 1.00 0.00 C ATOM 1119 O GLU A 75 -8.583 -4.195 0.530 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.610 -1.651 1.712 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.697 -0.870 3.025 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.797 -1.435 3.927 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.977 -1.153 3.628 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.432 -2.137 4.895 1.00 0.00 O ATOM 0 H GLU A 75 -8.857 0.028 1.160 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.724 -2.442 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.017 -1.050 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.221 -2.551 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.739 -0.914 3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.898 0.181 2.815 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.644 -2.754 -0.853 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.659 -3.672 -1.979 1.00 0.00 C ATOM 1133 C GLU A 76 -8.278 -4.303 -2.168 1.00 0.00 C ATOM 1134 O GLU A 76 -8.149 -5.526 -2.193 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.119 -2.965 -3.256 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.626 -2.706 -3.227 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.394 -3.865 -3.865 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.332 -4.972 -3.289 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.026 -3.617 -4.915 1.00 0.00 O ATOM 0 H GLU A 76 -10.075 -1.848 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.373 -4.467 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.586 -2.020 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.868 -3.575 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.955 -2.570 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.850 -1.781 -3.758 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.281 -3.440 -2.297 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.915 -3.897 -2.483 1.00 0.00 C ATOM 1148 C ALA A 77 -5.585 -4.950 -1.422 1.00 0.00 C ATOM 1149 O ALA A 77 -4.964 -5.968 -1.725 1.00 0.00 O ATOM 1150 CB ALA A 77 -4.963 -2.700 -2.431 1.00 0.00 C ATOM 0 H ALA A 77 -7.392 -2.426 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.797 -4.365 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.938 -3.044 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.220 -1.996 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.051 -2.207 -1.463 1.00 0.00 H new ATOM 1156 N LEU A 78 -6.016 -4.669 -0.202 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.774 -5.579 0.905 1.00 0.00 C ATOM 1158 C LEU A 78 -6.511 -6.895 0.648 1.00 0.00 C ATOM 1159 O LEU A 78 -6.016 -7.966 0.996 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.145 -4.917 2.234 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.124 -3.925 2.796 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.708 -3.148 3.978 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.818 -4.631 3.164 1.00 0.00 C ATOM 0 H LEU A 78 -6.531 -3.824 0.045 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.713 -5.816 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.095 -4.398 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.307 -5.700 2.975 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.889 -3.199 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.962 -2.450 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.589 -2.595 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.990 -3.844 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.110 -3.903 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.016 -5.393 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.396 -5.101 2.276 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.682 -6.772 0.041 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.492 -7.938 -0.267 1.00 0.00 C ATOM 1177 C LYS A 79 -7.769 -8.795 -1.309 1.00 0.00 C ATOM 1178 O LYS A 79 -7.789 -10.022 -1.230 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.901 -7.516 -0.688 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.710 -7.027 0.515 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.392 -5.692 0.210 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.441 -5.358 1.273 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.386 -4.338 0.766 1.00 0.00 N ATOM 0 H LYS A 79 -8.089 -5.882 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.622 -8.557 0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.839 -6.725 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.412 -8.357 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.461 -7.771 0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.054 -6.916 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.645 -4.899 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.864 -5.736 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.985 -6.260 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.950 -4.991 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.091 -4.123 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.864 -3.472 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.868 -4.702 -0.081 1.00 0.00 H new ATOM 1197 N MET A 80 -7.148 -8.114 -2.260 1.00 0.00 N ATOM 1198 CA MET A 80 -6.420 -8.797 -3.316 1.00 0.00 C ATOM 1199 C MET A 80 -5.150 -9.452 -2.771 1.00 0.00 C ATOM 1200 O MET A 80 -4.853 -10.602 -3.093 1.00 0.00 O ATOM 1201 CB MET A 80 -6.049 -7.795 -4.411 1.00 0.00 C ATOM 1202 CG MET A 80 -5.787 -8.507 -5.740 1.00 0.00 C ATOM 1203 SD MET A 80 -4.819 -7.459 -6.813 1.00 0.00 S ATOM 1204 CE MET A 80 -3.174 -7.926 -6.300 1.00 0.00 C ATOM 0 H MET A 80 -7.134 -7.096 -2.322 1.00 0.00 H new ATOM 0 HA MET A 80 -7.060 -9.577 -3.727 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.855 -7.071 -4.535 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.162 -7.237 -4.112 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.261 -9.445 -5.562 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.733 -8.759 -6.220 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.597 -7.031 -6.069 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.235 -8.557 -5.413 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.685 -8.476 -7.104 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.434 -8.693 -1.955 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.203 -9.186 -1.362 1.00 0.00 C ATOM 1216 C ALA A 81 -3.434 -10.594 -0.812 1.00 0.00 C ATOM 1217 O ALA A 81 -2.585 -11.471 -0.964 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.729 -8.209 -0.283 1.00 0.00 C ATOM 0 H ALA A 81 -4.683 -7.740 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.415 -9.251 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.805 -8.579 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.550 -7.231 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.494 -8.120 0.489 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.588 -10.768 -0.186 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.942 -12.056 0.387 1.00 0.00 C ATOM 1226 C VAL A 82 -4.874 -13.129 -0.700 1.00 0.00 C ATOM 1227 O VAL A 82 -4.347 -14.217 -0.471 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.315 -11.971 1.057 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.747 -13.335 1.598 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.320 -10.915 2.165 1.00 0.00 C ATOM 0 H VAL A 82 -5.290 -10.039 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.232 -12.336 1.165 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.038 -11.667 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.726 -13.246 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.803 -14.051 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.021 -13.681 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.307 -10.875 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.578 -11.176 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.078 -9.941 1.740 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.413 -12.786 -1.861 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.420 -13.707 -2.985 1.00 0.00 C ATOM 1242 C LYS A 83 -3.981 -14.109 -3.317 1.00 0.00 C ATOM 1243 O LYS A 83 -3.683 -15.293 -3.470 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.179 -13.104 -4.168 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.647 -12.861 -3.811 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.537 -12.966 -5.051 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.332 -11.677 -5.266 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.711 -11.985 -5.706 1.00 0.00 N ATOM 0 H LYS A 83 -5.848 -11.883 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.956 -14.620 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.712 -12.164 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.116 -13.774 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.969 -13.588 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.757 -11.874 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.922 -13.169 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.223 -13.806 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.359 -11.101 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.836 -11.057 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.236 -11.099 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.680 -12.515 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.187 -12.558 -4.980 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.128 -13.101 -3.420 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.728 -13.335 -3.732 1.00 0.00 C ATOM 1264 C GLN A 84 -1.102 -14.270 -2.695 1.00 0.00 C ATOM 1265 O GLN A 84 -0.674 -15.374 -3.029 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.957 -12.015 -3.815 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.766 -10.954 -4.564 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.935 -10.319 -5.681 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.446 -10.983 -6.580 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.804 -9.000 -5.575 1.00 0.00 N ATOM 0 H GLN A 84 -3.379 -12.121 -3.293 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.669 -13.815 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.727 -11.660 -2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.005 -12.177 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.664 -11.406 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.095 -10.183 -3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.240 -8.505 -4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.268 -8.483 -6.272 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.069 -13.795 -1.459 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.503 -14.575 -0.372 1.00 0.00 C ATOM 1281 C GLY A 85 -0.258 -13.702 0.860 1.00 0.00 C ATOM 1282 O GLY A 85 0.775 -13.824 1.517 1.00 0.00 O ATOM 0 H GLY A 85 -1.425 -12.879 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.178 -15.391 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.435 -15.027 -0.694 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.226 -12.841 1.137 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.129 -11.948 2.279 1.00 0.00 C ATOM 1288 C ASN A 86 -0.017 -10.927 2.030 1.00 0.00 C ATOM 1289 O ASN A 86 0.670 -10.512 2.962 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.785 -12.720 3.554 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.679 -13.951 3.708 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.361 -15.042 3.263 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.813 -13.718 4.363 1.00 0.00 N ATOM 0 H ASN A 86 -2.081 -12.743 0.590 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.093 -11.455 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.261 -13.027 3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.904 -12.069 4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.477 -14.476 4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.018 -12.781 4.710 1.00 0.00 H new ATOM 1300 N GLN A 87 0.126 -10.552 0.767 1.00 0.00 N ATOM 1301 CA GLN A 87 1.143 -9.588 0.383 1.00 0.00 C ATOM 1302 C GLN A 87 0.666 -8.761 -0.813 1.00 0.00 C ATOM 1303 O GLN A 87 -0.194 -9.203 -1.573 1.00 0.00 O ATOM 1304 CB GLN A 87 2.470 -10.284 0.074 1.00 0.00 C ATOM 1305 CG GLN A 87 2.382 -11.078 -1.231 1.00 0.00 C ATOM 1306 CD GLN A 87 2.940 -10.268 -2.404 1.00 0.00 C ATOM 1307 OE1 GLN A 87 4.126 -9.997 -2.497 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.020 -9.897 -3.290 1.00 0.00 N ATOM 0 H GLN A 87 -0.446 -10.899 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 87 1.311 -8.913 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.265 -9.542 -0.000 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.734 -10.953 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.937 -12.011 -1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.344 -11.345 -1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.044 -10.158 -3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.291 -9.352 -4.108 1.00 0.00 H new ATOM 1317 N LEU A 88 1.246 -7.577 -0.941 1.00 0.00 N ATOM 1318 CA LEU A 88 0.891 -6.684 -2.031 1.00 0.00 C ATOM 1319 C LEU A 88 2.145 -5.955 -2.517 1.00 0.00 C ATOM 1320 O LEU A 88 2.923 -5.447 -1.711 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.241 -5.746 -1.609 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.951 -4.999 -2.740 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.521 -5.977 -3.770 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -2.024 -4.059 -2.187 1.00 0.00 C ATOM 0 H LEU A 88 1.959 -7.215 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 88 0.504 -7.252 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.983 -6.328 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.163 -5.011 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.216 -4.381 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.020 -5.420 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.711 -6.569 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.238 -6.639 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.513 -3.540 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.763 -4.637 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.561 -3.329 -1.523 1.00 0.00 H new ATOM 1336 N GLN A 89 2.302 -5.926 -3.832 1.00 0.00 N ATOM 1337 CA GLN A 89 3.449 -5.267 -4.434 1.00 0.00 C ATOM 1338 C GLN A 89 3.127 -3.800 -4.723 1.00 0.00 C ATOM 1339 O GLN A 89 2.482 -3.487 -5.723 1.00 0.00 O ATOM 1340 CB GLN A 89 3.892 -5.992 -5.707 1.00 0.00 C ATOM 1341 CG GLN A 89 5.325 -6.511 -5.572 1.00 0.00 C ATOM 1342 CD GLN A 89 6.336 -5.373 -5.721 1.00 0.00 C ATOM 1343 OE1 GLN A 89 6.878 -4.859 -4.756 1.00 0.00 O ATOM 1344 NE2 GLN A 89 6.560 -5.010 -6.981 1.00 0.00 N ATOM 0 H GLN A 89 1.654 -6.348 -4.498 1.00 0.00 H new ATOM 0 HA GLN A 89 4.277 -5.304 -3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.218 -6.824 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.826 -5.314 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.452 -6.990 -4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.513 -7.271 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.072 -5.482 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.220 -4.259 -7.186 1.00 0.00 H new ATOM 1353 N MET A 90 3.590 -2.938 -3.830 1.00 0.00 N ATOM 1354 CA MET A 90 3.360 -1.511 -3.976 1.00 0.00 C ATOM 1355 C MET A 90 4.623 -0.799 -4.464 1.00 0.00 C ATOM 1356 O MET A 90 5.735 -1.268 -4.227 1.00 0.00 O ATOM 1357 CB MET A 90 2.929 -0.923 -2.631 1.00 0.00 C ATOM 1358 CG MET A 90 1.675 -1.624 -2.103 1.00 0.00 C ATOM 1359 SD MET A 90 1.551 -1.401 -0.336 1.00 0.00 S ATOM 1360 CE MET A 90 0.272 -0.157 -0.270 1.00 0.00 C ATOM 0 H MET A 90 4.124 -3.201 -3.002 1.00 0.00 H new ATOM 0 HA MET A 90 2.574 -1.363 -4.716 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.739 -1.026 -1.909 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.734 0.144 -2.742 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.789 -1.220 -2.592 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.714 -2.687 -2.342 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.541 0.602 0.464 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.166 0.308 -1.250 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.672 -0.621 0.016 1.00 0.00 H new ATOM 1370 N GLN A 91 4.409 0.323 -5.136 1.00 0.00 N ATOM 1371 CA GLN A 91 5.516 1.105 -5.659 1.00 0.00 C ATOM 1372 C GLN A 91 5.331 2.584 -5.314 1.00 0.00 C ATOM 1373 O GLN A 91 4.315 3.184 -5.661 1.00 0.00 O ATOM 1374 CB GLN A 91 5.661 0.908 -7.170 1.00 0.00 C ATOM 1375 CG GLN A 91 6.026 -0.540 -7.502 1.00 0.00 C ATOM 1376 CD GLN A 91 4.877 -1.242 -8.230 1.00 0.00 C ATOM 1377 OE1 GLN A 91 3.782 -0.722 -8.362 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.188 -2.449 -8.694 1.00 0.00 N ATOM 0 H GLN A 91 3.485 0.709 -5.330 1.00 0.00 H new ATOM 0 HA GLN A 91 6.436 0.755 -5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.728 1.174 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.429 1.578 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.921 -0.560 -8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.263 -1.079 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.125 -2.825 -8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.490 -2.998 -9.195 1.00 0.00 H new ATOM 1387 N VAL A 92 6.330 3.129 -4.635 1.00 0.00 N ATOM 1388 CA VAL A 92 6.290 4.527 -4.239 1.00 0.00 C ATOM 1389 C VAL A 92 6.513 5.407 -5.470 1.00 0.00 C ATOM 1390 O VAL A 92 7.355 5.101 -6.313 1.00 0.00 O ATOM 1391 CB VAL A 92 7.309 4.785 -3.127 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.938 6.172 -3.272 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.671 4.613 -1.748 1.00 0.00 C ATOM 0 H VAL A 92 7.171 2.628 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 92 5.312 4.781 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 92 8.104 4.045 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.658 6.330 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.445 6.243 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.159 6.932 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.417 4.802 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.848 5.319 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.293 3.596 -1.646 1.00 0.00 H new ATOM 1403 N HIS A 93 5.743 6.484 -5.535 1.00 0.00 N ATOM 1404 CA HIS A 93 5.845 7.411 -6.649 1.00 0.00 C ATOM 1405 C HIS A 93 5.839 8.848 -6.123 1.00 0.00 C ATOM 1406 O HIS A 93 4.779 9.456 -5.981 1.00 0.00 O ATOM 1407 CB HIS A 93 4.742 7.151 -7.676 1.00 0.00 C ATOM 1408 CG HIS A 93 4.924 5.875 -8.463 1.00 0.00 C ATOM 1409 ND1 HIS A 93 5.733 5.794 -9.583 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.395 4.631 -8.280 1.00 0.00 C ATOM 1411 CE1 HIS A 93 5.685 4.553 -10.045 1.00 0.00 C ATOM 1412 NE2 HIS A 93 4.854 3.834 -9.236 1.00 0.00 N ATOM 0 H HIS A 93 5.046 6.735 -4.834 1.00 0.00 H new ATOM 0 HA HIS A 93 6.790 7.255 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.782 7.115 -7.161 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.700 7.991 -8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.717 4.343 -7.490 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.211 4.177 -10.910 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.624 2.847 -9.348 1.00 0.00 H new ATOM 1420 N GLU A 94 7.034 9.349 -5.848 1.00 0.00 N ATOM 1421 CA GLU A 94 7.179 10.703 -5.341 1.00 0.00 C ATOM 1422 C GLU A 94 6.331 11.673 -6.167 1.00 0.00 C ATOM 1423 O GLU A 94 6.340 11.619 -7.396 1.00 0.00 O ATOM 1424 CB GLU A 94 8.648 11.130 -5.331 1.00 0.00 C ATOM 1425 CG GLU A 94 9.161 11.297 -3.900 1.00 0.00 C ATOM 1426 CD GLU A 94 9.225 12.775 -3.508 1.00 0.00 C ATOM 1427 OE1 GLU A 94 8.387 13.538 -4.034 1.00 0.00 O ATOM 1428 OE2 GLU A 94 10.112 13.108 -2.692 1.00 0.00 O ATOM 0 H GLU A 94 7.911 8.842 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 94 6.821 10.725 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.250 10.386 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.761 12.069 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.507 10.763 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.151 10.850 -3.811 1.00 0.00 H new ATOM 1435 N GLY A 95 5.619 12.537 -5.458 1.00 0.00 N ATOM 1436 CA GLY A 95 4.768 13.517 -6.110 1.00 0.00 C ATOM 1437 C GLY A 95 3.292 13.132 -5.985 1.00 0.00 C ATOM 1438 O GLY A 95 2.952 11.950 -6.006 1.00 0.00 O ATOM 0 H GLY A 95 5.614 12.578 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.930 14.498 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.039 13.596 -7.163 1.00 0.00 H new ATOM 1442 N SER A 96 2.456 14.152 -5.856 1.00 0.00 N ATOM 1443 CA SER A 96 1.025 13.935 -5.727 1.00 0.00 C ATOM 1444 C SER A 96 0.346 14.106 -7.087 1.00 0.00 C ATOM 1445 O SER A 96 0.720 14.980 -7.867 1.00 0.00 O ATOM 1446 CB SER A 96 0.413 14.893 -4.704 1.00 0.00 C ATOM 1447 OG SER A 96 -0.389 14.208 -3.745 1.00 0.00 O ATOM 0 H SER A 96 2.742 15.131 -5.838 1.00 0.00 H new ATOM 0 HA SER A 96 0.864 12.917 -5.373 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.209 15.433 -4.192 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.195 15.636 -5.221 1.00 0.00 H new ATOM 0 HG SER A 96 -0.761 14.854 -3.108 1.00 0.00 H new ATOM 1453 N GLY A 97 -0.642 13.257 -7.330 1.00 0.00 N ATOM 1454 CA GLY A 97 -1.378 13.303 -8.582 1.00 0.00 C ATOM 1455 C GLY A 97 -0.433 13.174 -9.779 1.00 0.00 C ATOM 1456 O GLY A 97 0.571 12.467 -9.707 1.00 0.00 O ATOM 0 H GLY A 97 -0.950 12.533 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.113 12.498 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.930 14.241 -8.649 1.00 0.00 H new ATOM 1460 N PRO A 98 -0.797 13.885 -10.879 1.00 0.00 N ATOM 1461 CA PRO A 98 0.007 13.857 -12.089 1.00 0.00 C ATOM 1462 C PRO A 98 1.276 14.695 -11.924 1.00 0.00 C ATOM 1463 O PRO A 98 1.505 15.279 -10.866 1.00 0.00 O ATOM 1464 CB PRO A 98 -0.911 14.377 -13.183 1.00 0.00 C ATOM 1465 CG PRO A 98 -2.035 15.111 -12.470 1.00 0.00 C ATOM 1466 CD PRO A 98 -1.980 14.733 -10.999 1.00 0.00 C ATOM 0 HA PRO A 98 0.367 12.857 -12.332 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -0.375 15.044 -13.858 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.301 13.558 -13.788 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.924 16.189 -12.591 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.000 14.839 -12.898 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.900 15.617 -10.366 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.881 14.202 -10.693 1.00 0.00 H new ATOM 1474 N SER A 99 2.067 14.729 -12.986 1.00 0.00 N ATOM 1475 CA SER A 99 3.307 15.486 -12.973 1.00 0.00 C ATOM 1476 C SER A 99 3.566 16.091 -14.354 1.00 0.00 C ATOM 1477 O SER A 99 3.804 17.291 -14.475 1.00 0.00 O ATOM 1478 CB SER A 99 4.485 14.606 -12.549 1.00 0.00 C ATOM 1479 OG SER A 99 4.111 13.237 -12.426 1.00 0.00 O ATOM 0 H SER A 99 1.873 14.244 -13.862 1.00 0.00 H new ATOM 0 HA SER A 99 3.209 16.291 -12.244 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.288 14.698 -13.280 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.879 14.961 -11.597 1.00 0.00 H new ATOM 0 HG SER A 99 4.890 12.708 -12.156 1.00 0.00 H new ATOM 1485 N SER A 100 3.511 15.231 -15.361 1.00 0.00 N ATOM 1486 CA SER A 100 3.736 15.666 -16.729 1.00 0.00 C ATOM 1487 C SER A 100 2.780 16.807 -17.080 1.00 0.00 C ATOM 1488 O SER A 100 1.759 16.992 -16.419 1.00 0.00 O ATOM 1489 CB SER A 100 3.562 14.505 -17.711 1.00 0.00 C ATOM 1490 OG SER A 100 4.795 14.129 -18.317 1.00 0.00 O ATOM 0 H SER A 100 3.314 14.236 -15.257 1.00 0.00 H new ATOM 0 HA SER A 100 4.762 16.024 -16.810 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.139 13.648 -17.187 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.849 14.789 -18.485 1.00 0.00 H new ATOM 0 HG SER A 100 4.642 13.384 -18.935 1.00 0.00 H new ATOM 1496 N GLY A 101 3.143 17.542 -18.120 1.00 0.00 N ATOM 1497 CA GLY A 101 2.330 18.660 -18.567 1.00 0.00 C ATOM 1498 C GLY A 101 2.972 19.994 -18.181 1.00 0.00 C ATOM 1499 O GLY A 101 2.277 20.994 -18.006 1.00 0.00 O ATOM 0 H GLY A 101 3.990 17.385 -18.667 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.204 18.613 -19.649 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.335 18.590 -18.126 1.00 0.00 H new TER 1503 GLY A 101