USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 867 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= -3.33! USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0925 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 0.435 USER MOD Single : A 6 SER OG : rot -11:sc= 0.772 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0797 K(o=-0.08,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 27:sc= 0.906 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -118:sc= 0.934 (180deg=-0.0305) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.049) USER MOD Single : A 24 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.099) USER MOD Single : A 28 ASN : amide:sc= -1.69 X(o=-1.7,f=-2.1) USER MOD Single : A 30 THR OG1 : rot -94:sc= 0.717 USER MOD Single : A 32 THR OG1 : rot -68:sc= 0.615 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.08! C(o=-3.1!,f=-3.5!) USER MOD Single : A 40 GLN : amide:sc= -0.672 K(o=-0.67,f=-0.08) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.014) USER MOD Single : A 48 SER OG : rot 180:sc= -0.92 USER MOD Single : A 53 TYR OH : rot -15:sc= -0.187 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0518 USER MOD Single : A 60 SER OG : rot -44:sc= 0.49! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.746 X(o=-0.75,f=-0.79) USER MOD Single : A 63 ASN : amide:sc= -0.276 K(o=-0.28,f=-2.6!) USER MOD Single : A 64 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.5!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 159:sc= -0.544 USER MOD Single : A 71 ASN : amide:sc= -0.784 K(o=-0.78,f=0.095) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0962 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -157:sc= -0.0909 (180deg=-0.447) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.448) USER MOD Single : A 93 THR OG1 : rot 36:sc= -0.798 USER MOD Single : A 99 THR OG1 : rot -139:sc= -0.592 USER MOD Single : A 100 SER OG : rot 59:sc= -0.0592 USER MOD Single : A 101 SER OG : rot -67:sc= -0.546 USER MOD Single : A 103 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.4) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00905 USER MOD Single : A 111 SER OG : rot 45:sc= 0.896 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.685 -60.622 -15.692 1.00 0.00 N ATOM 2 CA GLY A 1 4.826 -60.223 -16.794 1.00 0.00 C ATOM 3 C GLY A 1 3.441 -59.815 -16.289 1.00 0.00 C ATOM 4 O GLY A 1 3.272 -59.503 -15.111 1.00 0.00 O ATOM 0 H1 GLY A 1 6.612 -60.161 -15.790 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.250 -60.337 -14.792 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.809 -61.654 -15.705 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.281 -59.391 -17.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.731 -61.046 -17.502 1.00 0.00 H new ATOM 8 N SER A 2 2.484 -59.829 -17.205 1.00 0.00 N ATOM 9 CA SER A 2 1.119 -59.464 -16.868 1.00 0.00 C ATOM 10 C SER A 2 1.054 -57.988 -16.472 1.00 0.00 C ATOM 11 O SER A 2 1.987 -57.463 -15.866 1.00 0.00 O ATOM 12 CB SER A 2 0.578 -60.341 -15.737 1.00 0.00 C ATOM 13 OG SER A 2 -0.833 -60.520 -15.829 1.00 0.00 O ATOM 0 H SER A 2 2.627 -60.088 -18.181 1.00 0.00 H new ATOM 0 HA SER A 2 0.495 -59.625 -17.747 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.070 -61.313 -15.765 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.824 -59.887 -14.777 1.00 0.00 H new ATOM 0 HG SER A 2 -1.140 -61.087 -15.091 1.00 0.00 H new ATOM 19 N SER A 3 -0.056 -57.359 -16.831 1.00 0.00 N ATOM 20 CA SER A 3 -0.254 -55.954 -16.521 1.00 0.00 C ATOM 21 C SER A 3 -1.741 -55.670 -16.305 1.00 0.00 C ATOM 22 O SER A 3 -2.589 -56.500 -16.632 1.00 0.00 O ATOM 23 CB SER A 3 0.301 -55.061 -17.633 1.00 0.00 C ATOM 24 OG SER A 3 0.514 -53.724 -17.188 1.00 0.00 O ATOM 0 H SER A 3 -0.828 -57.797 -17.334 1.00 0.00 H new ATOM 0 HA SER A 3 0.289 -55.727 -15.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.241 -55.476 -17.996 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.392 -55.057 -18.474 1.00 0.00 H new ATOM 0 HG SER A 3 0.870 -53.186 -17.926 1.00 0.00 H new ATOM 30 N GLY A 4 -2.014 -54.495 -15.756 1.00 0.00 N ATOM 31 CA GLY A 4 -3.384 -54.092 -15.493 1.00 0.00 C ATOM 32 C GLY A 4 -3.471 -53.237 -14.227 1.00 0.00 C ATOM 33 O GLY A 4 -3.235 -53.728 -13.124 1.00 0.00 O ATOM 0 H GLY A 4 -1.309 -53.809 -15.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.771 -53.530 -16.343 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.012 -54.976 -15.383 1.00 0.00 H new ATOM 37 N SER A 5 -3.809 -51.971 -14.429 1.00 0.00 N ATOM 38 CA SER A 5 -3.929 -51.043 -13.317 1.00 0.00 C ATOM 39 C SER A 5 -4.604 -49.752 -13.785 1.00 0.00 C ATOM 40 O SER A 5 -3.983 -48.933 -14.461 1.00 0.00 O ATOM 41 CB SER A 5 -2.560 -50.735 -12.706 1.00 0.00 C ATOM 42 OG SER A 5 -1.632 -50.272 -13.682 1.00 0.00 O ATOM 0 H SER A 5 -4.003 -51.567 -15.345 1.00 0.00 H new ATOM 0 HA SER A 5 -4.544 -51.509 -12.547 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.672 -49.982 -11.926 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.166 -51.632 -12.228 1.00 0.00 H new ATOM 0 HG SER A 5 -2.080 -49.645 -14.288 1.00 0.00 H new ATOM 48 N SER A 6 -5.865 -49.610 -13.406 1.00 0.00 N ATOM 49 CA SER A 6 -6.631 -48.433 -13.778 1.00 0.00 C ATOM 50 C SER A 6 -7.866 -48.308 -12.884 1.00 0.00 C ATOM 51 O SER A 6 -8.928 -48.836 -13.209 1.00 0.00 O ATOM 52 CB SER A 6 -7.044 -48.487 -15.250 1.00 0.00 C ATOM 53 OG SER A 6 -5.917 -48.479 -16.121 1.00 0.00 O ATOM 0 H SER A 6 -6.376 -50.291 -12.845 1.00 0.00 H new ATOM 0 HA SER A 6 -5.999 -47.556 -13.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.634 -49.386 -15.428 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.685 -47.635 -15.478 1.00 0.00 H new ATOM 0 HG SER A 6 -5.110 -48.258 -15.610 1.00 0.00 H new ATOM 59 N GLY A 7 -7.686 -47.606 -11.774 1.00 0.00 N ATOM 60 CA GLY A 7 -8.773 -47.405 -10.831 1.00 0.00 C ATOM 61 C GLY A 7 -8.284 -47.562 -9.390 1.00 0.00 C ATOM 62 O GLY A 7 -8.446 -48.623 -8.787 1.00 0.00 O ATOM 0 H GLY A 7 -6.804 -47.170 -11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.199 -46.411 -10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.569 -48.123 -11.029 1.00 0.00 H new ATOM 66 N THR A 8 -7.696 -46.491 -8.878 1.00 0.00 N ATOM 67 CA THR A 8 -7.182 -46.496 -7.519 1.00 0.00 C ATOM 68 C THR A 8 -7.771 -45.331 -6.722 1.00 0.00 C ATOM 69 O THR A 8 -7.729 -44.185 -7.168 1.00 0.00 O ATOM 70 CB THR A 8 -5.654 -46.473 -7.591 1.00 0.00 C ATOM 71 OG1 THR A 8 -5.302 -47.813 -7.924 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.007 -46.247 -6.223 1.00 0.00 C ATOM 0 H THR A 8 -7.564 -45.613 -9.380 1.00 0.00 H new ATOM 0 HA THR A 8 -7.482 -47.398 -6.986 1.00 0.00 H new ATOM 0 HB THR A 8 -5.335 -45.689 -8.278 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.327 -47.888 -7.993 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.922 -46.239 -6.330 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.338 -45.291 -5.817 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.299 -47.049 -5.545 1.00 0.00 H new ATOM 80 N VAL A 9 -8.306 -45.663 -5.556 1.00 0.00 N ATOM 81 CA VAL A 9 -8.903 -44.658 -4.693 1.00 0.00 C ATOM 82 C VAL A 9 -7.807 -43.997 -3.854 1.00 0.00 C ATOM 83 O VAL A 9 -7.120 -44.667 -3.085 1.00 0.00 O ATOM 84 CB VAL A 9 -10.008 -45.288 -3.843 1.00 0.00 C ATOM 85 CG1 VAL A 9 -11.256 -45.566 -4.684 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.513 -46.564 -3.158 1.00 0.00 C ATOM 0 H VAL A 9 -8.338 -46.614 -5.189 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.375 -43.875 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.280 -44.574 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.026 -46.014 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.628 -44.631 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.004 -46.252 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.318 -46.992 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.200 -47.285 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.668 -46.326 -2.512 1.00 0.00 H new ATOM 96 N ASN A 10 -7.679 -42.690 -4.031 1.00 0.00 N ATOM 97 CA ASN A 10 -6.678 -41.931 -3.300 1.00 0.00 C ATOM 98 C ASN A 10 -7.238 -40.547 -2.967 1.00 0.00 C ATOM 99 O ASN A 10 -8.083 -40.024 -3.691 1.00 0.00 O ATOM 100 CB ASN A 10 -5.412 -41.740 -4.137 1.00 0.00 C ATOM 101 CG ASN A 10 -5.717 -40.980 -5.429 1.00 0.00 C ATOM 102 OD1 ASN A 10 -6.500 -41.407 -6.261 1.00 0.00 O ATOM 103 ND2 ASN A 10 -5.058 -39.831 -5.549 1.00 0.00 N ATOM 0 H ASN A 10 -8.251 -42.138 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.431 -42.484 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.668 -41.194 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.980 -42.712 -4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.194 -39.249 -6.375 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.416 -39.532 -4.815 1.00 0.00 H new ATOM 110 N VAL A 11 -6.743 -39.992 -1.870 1.00 0.00 N ATOM 111 CA VAL A 11 -7.183 -38.678 -1.432 1.00 0.00 C ATOM 112 C VAL A 11 -5.971 -37.868 -0.968 1.00 0.00 C ATOM 113 O VAL A 11 -4.956 -38.436 -0.568 1.00 0.00 O ATOM 114 CB VAL A 11 -8.257 -38.820 -0.351 1.00 0.00 C ATOM 115 CG1 VAL A 11 -7.684 -39.471 0.909 1.00 0.00 C ATOM 116 CG2 VAL A 11 -8.892 -37.466 -0.029 1.00 0.00 C ATOM 0 H VAL A 11 -6.042 -40.428 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.641 -38.133 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.039 -39.473 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.468 -39.560 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.301 -40.462 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.874 -38.856 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.652 -37.595 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.124 -36.780 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.353 -37.057 -0.928 1.00 0.00 H new ATOM 126 N THR A 12 -6.118 -36.553 -1.036 1.00 0.00 N ATOM 127 CA THR A 12 -5.048 -35.659 -0.628 1.00 0.00 C ATOM 128 C THR A 12 -5.599 -34.533 0.249 1.00 0.00 C ATOM 129 O THR A 12 -6.368 -33.695 -0.221 1.00 0.00 O ATOM 130 CB THR A 12 -4.344 -35.156 -1.891 1.00 0.00 C ATOM 131 OG1 THR A 12 -5.365 -34.467 -2.606 1.00 0.00 O ATOM 132 CG2 THR A 12 -3.937 -36.296 -2.827 1.00 0.00 C ATOM 0 H THR A 12 -6.962 -36.085 -1.367 1.00 0.00 H new ATOM 0 HA THR A 12 -4.313 -36.178 -0.013 1.00 0.00 H new ATOM 0 HB THR A 12 -3.460 -34.583 -1.611 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.039 -34.137 -1.976 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.442 -35.885 -3.707 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.254 -36.968 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.825 -36.848 -3.135 1.00 0.00 H new ATOM 140 N THR A 13 -5.184 -34.549 1.507 1.00 0.00 N ATOM 141 CA THR A 13 -5.627 -33.540 2.454 1.00 0.00 C ATOM 142 C THR A 13 -4.822 -32.251 2.276 1.00 0.00 C ATOM 143 O THR A 13 -3.673 -32.168 2.707 1.00 0.00 O ATOM 144 CB THR A 13 -5.521 -34.133 3.860 1.00 0.00 C ATOM 145 OG1 THR A 13 -6.543 -35.126 3.896 1.00 0.00 O ATOM 146 CG2 THR A 13 -5.931 -33.137 4.948 1.00 0.00 C ATOM 0 H THR A 13 -4.546 -35.245 1.893 1.00 0.00 H new ATOM 0 HA THR A 13 -6.667 -33.263 2.280 1.00 0.00 H new ATOM 0 HB THR A 13 -4.498 -34.465 4.038 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.544 -35.563 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.838 -33.608 5.926 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.283 -32.262 4.903 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.965 -32.831 4.790 1.00 0.00 H new ATOM 154 N LYS A 14 -5.456 -31.278 1.639 1.00 0.00 N ATOM 155 CA LYS A 14 -4.813 -29.998 1.398 1.00 0.00 C ATOM 156 C LYS A 14 -5.791 -29.068 0.678 1.00 0.00 C ATOM 157 O LYS A 14 -6.685 -29.529 -0.030 1.00 0.00 O ATOM 158 CB LYS A 14 -3.490 -30.194 0.654 1.00 0.00 C ATOM 159 CG LYS A 14 -2.311 -29.691 1.490 1.00 0.00 C ATOM 160 CD LYS A 14 -1.057 -30.526 1.225 1.00 0.00 C ATOM 161 CE LYS A 14 -0.433 -30.166 -0.125 1.00 0.00 C ATOM 162 NZ LYS A 14 0.014 -31.388 -0.831 1.00 0.00 N ATOM 0 H LYS A 14 -6.409 -31.350 1.282 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.553 -29.519 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.352 -31.250 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.520 -29.661 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.113 -28.645 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.566 -29.736 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.331 -30.361 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.311 -31.586 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.159 -29.630 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.413 -29.496 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.435 -31.126 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.722 -31.884 -0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.801 -32.014 -0.992 1.00 0.00 H new ATOM 176 N LYS A 15 -5.590 -27.774 0.884 1.00 0.00 N ATOM 177 CA LYS A 15 -6.443 -26.776 0.263 1.00 0.00 C ATOM 178 C LYS A 15 -5.621 -25.958 -0.735 1.00 0.00 C ATOM 179 O LYS A 15 -4.472 -26.292 -1.019 1.00 0.00 O ATOM 180 CB LYS A 15 -7.138 -25.927 1.330 1.00 0.00 C ATOM 181 CG LYS A 15 -8.478 -26.544 1.734 1.00 0.00 C ATOM 182 CD LYS A 15 -9.641 -25.627 1.352 1.00 0.00 C ATOM 183 CE LYS A 15 -10.673 -25.550 2.480 1.00 0.00 C ATOM 184 NZ LYS A 15 -11.993 -25.144 1.948 1.00 0.00 N ATOM 0 H LYS A 15 -4.848 -27.394 1.473 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.243 -27.256 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.495 -25.839 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.298 -24.918 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.598 -27.512 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.490 -26.724 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.264 -24.629 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.117 -25.997 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.755 -26.519 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.343 -24.836 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.277 -24.240 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.932 -25.034 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.699 -25.873 2.177 1.00 0.00 H new ATOM 198 N THR A 16 -6.241 -24.901 -1.238 1.00 0.00 N ATOM 199 CA THR A 16 -5.581 -24.032 -2.198 1.00 0.00 C ATOM 200 C THR A 16 -6.041 -22.585 -2.012 1.00 0.00 C ATOM 201 O THR A 16 -7.138 -22.338 -1.514 1.00 0.00 O ATOM 202 CB THR A 16 -5.855 -24.582 -3.599 1.00 0.00 C ATOM 203 OG1 THR A 16 -7.221 -24.985 -3.553 1.00 0.00 O ATOM 204 CG2 THR A 16 -5.093 -25.879 -3.879 1.00 0.00 C ATOM 0 H THR A 16 -7.194 -24.626 -0.999 1.00 0.00 H new ATOM 0 HA THR A 16 -4.502 -24.019 -2.044 1.00 0.00 H new ATOM 0 HB THR A 16 -5.582 -23.833 -4.342 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.483 -25.353 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.323 -26.226 -4.886 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.022 -25.697 -3.794 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.391 -26.639 -3.157 1.00 0.00 H new ATOM 212 N PRO A 17 -5.157 -21.642 -2.434 1.00 0.00 N ATOM 213 CA PRO A 17 -5.460 -20.226 -2.319 1.00 0.00 C ATOM 214 C PRO A 17 -6.477 -19.796 -3.378 1.00 0.00 C ATOM 215 O PRO A 17 -6.700 -20.508 -4.356 1.00 0.00 O ATOM 216 CB PRO A 17 -4.120 -19.523 -2.461 1.00 0.00 C ATOM 217 CG PRO A 17 -3.188 -20.532 -3.111 1.00 0.00 C ATOM 218 CD PRO A 17 -3.848 -21.898 -3.029 1.00 0.00 C ATOM 0 HA PRO A 17 -5.928 -19.972 -1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.212 -18.626 -3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.739 -19.208 -1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.998 -20.262 -4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.224 -20.543 -2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.943 -22.352 -4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.263 -22.585 -2.418 1.00 0.00 H new ATOM 226 N PRO A 18 -7.082 -18.601 -3.142 1.00 0.00 N ATOM 227 CA PRO A 18 -8.070 -18.067 -4.065 1.00 0.00 C ATOM 228 C PRO A 18 -7.401 -17.518 -5.326 1.00 0.00 C ATOM 229 O PRO A 18 -8.054 -17.346 -6.355 1.00 0.00 O ATOM 230 CB PRO A 18 -8.811 -17.001 -3.274 1.00 0.00 C ATOM 231 CG PRO A 18 -7.913 -16.654 -2.098 1.00 0.00 C ATOM 232 CD PRO A 18 -6.843 -17.730 -1.995 1.00 0.00 C ATOM 0 HA PRO A 18 -8.761 -18.828 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.005 -16.123 -3.889 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.778 -17.370 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.457 -15.675 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.493 -16.603 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.843 -17.298 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.923 -18.279 -1.057 1.00 0.00 H new ATOM 240 N SER A 19 -6.107 -17.259 -5.207 1.00 0.00 N ATOM 241 CA SER A 19 -5.343 -16.733 -6.325 1.00 0.00 C ATOM 242 C SER A 19 -5.938 -15.401 -6.786 1.00 0.00 C ATOM 243 O SER A 19 -5.637 -14.928 -7.881 1.00 0.00 O ATOM 244 CB SER A 19 -5.309 -17.729 -7.486 1.00 0.00 C ATOM 245 OG SER A 19 -4.412 -18.808 -7.237 1.00 0.00 O ATOM 0 H SER A 19 -5.568 -17.404 -4.353 1.00 0.00 H new ATOM 0 HA SER A 19 -4.318 -16.569 -5.991 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.311 -18.122 -7.656 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.011 -17.212 -8.398 1.00 0.00 H new ATOM 0 HG SER A 19 -4.420 -19.423 -8.000 1.00 0.00 H new ATOM 251 N GLN A 20 -6.773 -14.834 -5.928 1.00 0.00 N ATOM 252 CA GLN A 20 -7.414 -13.566 -6.233 1.00 0.00 C ATOM 253 C GLN A 20 -6.719 -12.427 -5.484 1.00 0.00 C ATOM 254 O GLN A 20 -6.793 -12.348 -4.259 1.00 0.00 O ATOM 255 CB GLN A 20 -8.906 -13.611 -5.900 1.00 0.00 C ATOM 256 CG GLN A 20 -9.402 -12.247 -5.416 1.00 0.00 C ATOM 257 CD GLN A 20 -10.928 -12.225 -5.307 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.524 -12.857 -4.450 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.524 -11.465 -6.221 1.00 0.00 N ATOM 0 H GLN A 20 -7.021 -15.230 -5.021 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.320 -13.382 -7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.470 -13.915 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.088 -14.362 -5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.961 -12.019 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.072 -11.470 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.964 -10.962 -6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.541 -11.385 -6.233 1.00 0.00 H new ATOM 268 N PRO A 21 -6.043 -11.549 -6.273 1.00 0.00 N ATOM 269 CA PRO A 21 -5.336 -10.417 -5.698 1.00 0.00 C ATOM 270 C PRO A 21 -6.313 -9.325 -5.261 1.00 0.00 C ATOM 271 O PRO A 21 -7.424 -9.236 -5.781 1.00 0.00 O ATOM 272 CB PRO A 21 -4.379 -9.958 -6.786 1.00 0.00 C ATOM 273 CG PRO A 21 -4.908 -10.547 -8.083 1.00 0.00 C ATOM 274 CD PRO A 21 -5.934 -11.610 -7.728 1.00 0.00 C ATOM 0 HA PRO A 21 -4.791 -10.678 -4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.340 -8.870 -6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.365 -10.304 -6.585 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.361 -9.770 -8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.095 -10.981 -8.665 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.893 -11.410 -8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.612 -12.597 -8.060 1.00 0.00 H new ATOM 282 N PRO A 22 -5.852 -8.498 -4.284 1.00 0.00 N ATOM 283 CA PRO A 22 -6.673 -7.415 -3.771 1.00 0.00 C ATOM 284 C PRO A 22 -6.738 -6.256 -4.768 1.00 0.00 C ATOM 285 O PRO A 22 -5.729 -5.895 -5.372 1.00 0.00 O ATOM 286 CB PRO A 22 -6.030 -7.026 -2.450 1.00 0.00 C ATOM 287 CG PRO A 22 -4.616 -7.583 -2.494 1.00 0.00 C ATOM 288 CD PRO A 22 -4.542 -8.573 -3.645 1.00 0.00 C ATOM 0 HA PRO A 22 -7.712 -7.709 -3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.019 -5.943 -2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.586 -7.439 -1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.893 -6.779 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.369 -8.073 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.746 -8.311 -4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.333 -9.581 -3.287 1.00 0.00 H new ATOM 296 N GLY A 23 -7.936 -5.707 -4.911 1.00 0.00 N ATOM 297 CA GLY A 23 -8.146 -4.597 -5.825 1.00 0.00 C ATOM 298 C GLY A 23 -8.279 -3.277 -5.063 1.00 0.00 C ATOM 299 O GLY A 23 -8.059 -3.229 -3.854 1.00 0.00 O ATOM 0 H GLY A 23 -8.771 -6.010 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.313 -4.535 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.045 -4.772 -6.415 1.00 0.00 H new ATOM 303 N ASN A 24 -8.640 -2.238 -5.802 1.00 0.00 N ATOM 304 CA ASN A 24 -8.806 -0.921 -5.211 1.00 0.00 C ATOM 305 C ASN A 24 -7.586 -0.598 -4.345 1.00 0.00 C ATOM 306 O ASN A 24 -7.674 0.204 -3.417 1.00 0.00 O ATOM 307 CB ASN A 24 -10.046 -0.871 -4.317 1.00 0.00 C ATOM 308 CG ASN A 24 -10.739 0.490 -4.417 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.106 0.951 -5.486 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.898 1.103 -3.248 1.00 0.00 N ATOM 0 H ASN A 24 -8.822 -2.282 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.916 -0.199 -6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.741 -1.659 -4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.761 -1.063 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.351 2.016 -3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.567 0.660 -2.391 1.00 0.00 H new ATOM 317 N VAL A 25 -6.476 -1.240 -4.680 1.00 0.00 N ATOM 318 CA VAL A 25 -5.240 -1.031 -3.945 1.00 0.00 C ATOM 319 C VAL A 25 -4.784 0.419 -4.124 1.00 0.00 C ATOM 320 O VAL A 25 -4.087 0.740 -5.085 1.00 0.00 O ATOM 321 CB VAL A 25 -4.188 -2.048 -4.390 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.924 -1.939 -3.535 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.751 -3.470 -4.357 1.00 0.00 C ATOM 0 H VAL A 25 -6.407 -1.905 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.398 -1.193 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.916 -1.819 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.192 -2.673 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.505 -0.938 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.173 -2.129 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.982 -4.173 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.065 -3.714 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.608 -3.538 -5.028 1.00 0.00 H new ATOM 333 N VAL A 26 -5.196 1.256 -3.183 1.00 0.00 N ATOM 334 CA VAL A 26 -4.839 2.664 -3.225 1.00 0.00 C ATOM 335 C VAL A 26 -3.776 2.947 -2.162 1.00 0.00 C ATOM 336 O VAL A 26 -3.534 2.120 -1.284 1.00 0.00 O ATOM 337 CB VAL A 26 -6.092 3.527 -3.063 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.116 3.216 -4.156 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.703 3.350 -1.671 1.00 0.00 C ATOM 0 H VAL A 26 -5.774 0.986 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.408 2.920 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.797 4.571 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.997 3.843 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.677 3.417 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.404 2.167 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.592 3.974 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.977 2.305 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.976 3.644 -0.914 1.00 0.00 H new ATOM 349 N TRP A 27 -3.168 4.119 -2.276 1.00 0.00 N ATOM 350 CA TRP A 27 -2.136 4.522 -1.336 1.00 0.00 C ATOM 351 C TRP A 27 -2.270 6.029 -1.105 1.00 0.00 C ATOM 352 O TRP A 27 -3.126 6.679 -1.702 1.00 0.00 O ATOM 353 CB TRP A 27 -0.749 4.115 -1.836 1.00 0.00 C ATOM 354 CG TRP A 27 -0.397 4.672 -3.217 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.636 4.120 -4.415 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.271 5.920 -3.496 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.173 4.918 -5.441 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.396 6.048 -4.864 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.753 6.910 -2.621 1.00 0.00 C ATOM 360 CZ2 TRP A 27 1.002 7.150 -5.480 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.356 8.005 -3.252 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.490 8.148 -4.628 1.00 0.00 C ATOM 0 H TRP A 27 -3.371 4.803 -3.005 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.262 4.010 -0.382 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.002 4.453 -1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.691 3.027 -1.869 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.129 3.170 -4.559 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.236 4.716 -6.439 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.665 6.832 -1.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.088 7.226 -6.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.744 8.794 -2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.968 9.025 -5.038 1.00 0.00 H new ATOM 373 N ASN A 28 -1.410 6.540 -0.236 1.00 0.00 N ATOM 374 CA ASN A 28 -1.421 7.958 0.082 1.00 0.00 C ATOM 375 C ASN A 28 -0.153 8.312 0.861 1.00 0.00 C ATOM 376 O ASN A 28 0.520 7.429 1.392 1.00 0.00 O ATOM 377 CB ASN A 28 -2.627 8.318 0.952 1.00 0.00 C ATOM 378 CG ASN A 28 -3.861 8.598 0.092 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.772 7.793 -0.013 1.00 0.00 O ATOM 380 ND2 ASN A 28 -3.839 9.780 -0.517 1.00 0.00 N ATOM 0 H ASN A 28 -0.701 5.998 0.258 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.474 8.513 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.838 7.501 1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.395 9.195 1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.616 10.060 -1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.045 10.407 -0.386 1.00 0.00 H new ATOM 387 N ALA A 29 0.135 9.604 0.905 1.00 0.00 N ATOM 388 CA ALA A 29 1.311 10.085 1.611 1.00 0.00 C ATOM 389 C ALA A 29 0.949 11.351 2.391 1.00 0.00 C ATOM 390 O ALA A 29 0.702 12.400 1.799 1.00 0.00 O ATOM 391 CB ALA A 29 2.445 10.321 0.612 1.00 0.00 C ATOM 0 H ALA A 29 -0.425 10.333 0.463 1.00 0.00 H new ATOM 0 HA ALA A 29 1.658 9.342 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.327 10.682 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.683 9.386 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.134 11.064 -0.123 1.00 0.00 H new ATOM 397 N THR A 30 0.930 11.210 3.709 1.00 0.00 N ATOM 398 CA THR A 30 0.603 12.328 4.577 1.00 0.00 C ATOM 399 C THR A 30 1.272 12.157 5.942 1.00 0.00 C ATOM 400 O THR A 30 1.710 11.062 6.290 1.00 0.00 O ATOM 401 CB THR A 30 -0.921 12.436 4.655 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.148 13.417 5.663 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.569 11.168 5.216 1.00 0.00 C ATOM 0 H THR A 30 1.136 10.338 4.196 1.00 0.00 H new ATOM 0 HA THR A 30 0.989 13.266 4.177 1.00 0.00 H new ATOM 0 HB THR A 30 -1.322 12.640 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.287 12.973 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.651 11.297 5.250 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.325 10.321 4.575 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.194 10.982 6.222 1.00 0.00 H new ATOM 411 N ASP A 31 1.329 13.257 6.679 1.00 0.00 N ATOM 412 CA ASP A 31 1.937 13.242 7.999 1.00 0.00 C ATOM 413 C ASP A 31 3.281 12.514 7.929 1.00 0.00 C ATOM 414 O ASP A 31 3.743 11.960 8.925 1.00 0.00 O ATOM 415 CB ASP A 31 1.051 12.504 9.005 1.00 0.00 C ATOM 416 CG ASP A 31 -0.184 11.829 8.406 1.00 0.00 C ATOM 417 OD1 ASP A 31 -1.191 12.547 8.223 1.00 0.00 O ATOM 418 OD2 ASP A 31 -0.093 10.610 8.144 1.00 0.00 O ATOM 0 H ASP A 31 0.964 14.164 6.387 1.00 0.00 H new ATOM 0 HA ASP A 31 2.067 14.275 8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.652 11.747 9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.726 13.212 9.767 1.00 0.00 H new ATOM 423 N THR A 32 3.870 12.539 6.742 1.00 0.00 N ATOM 424 CA THR A 32 5.151 11.888 6.529 1.00 0.00 C ATOM 425 C THR A 32 5.011 10.372 6.682 1.00 0.00 C ATOM 426 O THR A 32 5.908 9.712 7.204 1.00 0.00 O ATOM 427 CB THR A 32 6.162 12.506 7.497 1.00 0.00 C ATOM 428 OG1 THR A 32 6.104 11.663 8.645 1.00 0.00 O ATOM 429 CG2 THR A 32 5.715 13.874 8.017 1.00 0.00 C ATOM 0 H THR A 32 3.483 13.000 5.918 1.00 0.00 H new ATOM 0 HA THR A 32 5.512 12.048 5.513 1.00 0.00 H new ATOM 0 HB THR A 32 7.127 12.604 6.999 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.234 11.767 9.083 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.468 14.268 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.592 14.559 7.178 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.766 13.771 8.544 1.00 0.00 H new ATOM 437 N LYS A 33 3.879 9.864 6.217 1.00 0.00 N ATOM 438 CA LYS A 33 3.611 8.439 6.296 1.00 0.00 C ATOM 439 C LYS A 33 2.861 7.995 5.038 1.00 0.00 C ATOM 440 O LYS A 33 2.262 8.817 4.345 1.00 0.00 O ATOM 441 CB LYS A 33 2.880 8.102 7.597 1.00 0.00 C ATOM 442 CG LYS A 33 2.615 6.599 7.704 1.00 0.00 C ATOM 443 CD LYS A 33 1.870 6.264 8.998 1.00 0.00 C ATOM 444 CE LYS A 33 2.848 6.066 10.158 1.00 0.00 C ATOM 445 NZ LYS A 33 2.952 4.631 10.508 1.00 0.00 N ATOM 0 H LYS A 33 3.137 10.414 5.784 1.00 0.00 H new ATOM 0 HA LYS A 33 4.545 7.878 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.475 8.431 8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.936 8.645 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.029 6.268 6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.560 6.056 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.173 7.066 9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.279 5.359 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.830 6.452 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.513 6.635 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.619 4.514 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.017 4.274 10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.293 4.096 9.684 1.00 0.00 H new ATOM 459 N VAL A 34 2.918 6.697 4.780 1.00 0.00 N ATOM 460 CA VAL A 34 2.252 6.134 3.618 1.00 0.00 C ATOM 461 C VAL A 34 1.099 5.241 4.079 1.00 0.00 C ATOM 462 O VAL A 34 1.324 4.201 4.695 1.00 0.00 O ATOM 463 CB VAL A 34 3.266 5.397 2.740 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.561 4.597 1.643 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.283 6.371 2.141 1.00 0.00 C ATOM 0 H VAL A 34 3.416 6.018 5.356 1.00 0.00 H new ATOM 0 HA VAL A 34 1.824 6.925 3.002 1.00 0.00 H new ATOM 0 HB VAL A 34 3.808 4.694 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.304 4.083 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.895 3.864 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.981 5.273 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.992 5.822 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.764 7.109 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.819 6.877 2.944 1.00 0.00 H new ATOM 475 N LEU A 35 -0.110 5.679 3.761 1.00 0.00 N ATOM 476 CA LEU A 35 -1.299 4.932 4.135 1.00 0.00 C ATOM 477 C LEU A 35 -1.754 4.080 2.949 1.00 0.00 C ATOM 478 O LEU A 35 -2.187 4.611 1.928 1.00 0.00 O ATOM 479 CB LEU A 35 -2.380 5.876 4.665 1.00 0.00 C ATOM 480 CG LEU A 35 -1.920 6.915 5.690 1.00 0.00 C ATOM 481 CD1 LEU A 35 -1.190 6.248 6.857 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.069 8.000 5.026 1.00 0.00 C ATOM 0 H LEU A 35 -0.292 6.542 3.248 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.077 4.247 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.823 6.401 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.170 5.275 5.116 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.803 7.404 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.874 7.009 7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.860 5.544 7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.315 5.716 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.755 8.726 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.189 7.545 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.656 8.503 4.258 1.00 0.00 H new ATOM 494 N LEU A 36 -1.641 2.771 3.124 1.00 0.00 N ATOM 495 CA LEU A 36 -2.036 1.840 2.080 1.00 0.00 C ATOM 496 C LEU A 36 -3.452 1.335 2.363 1.00 0.00 C ATOM 497 O LEU A 36 -3.841 1.180 3.520 1.00 0.00 O ATOM 498 CB LEU A 36 -1.001 0.722 1.940 1.00 0.00 C ATOM 499 CG LEU A 36 0.422 1.165 1.595 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.321 -0.042 1.322 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.420 2.154 0.427 1.00 0.00 C ATOM 0 H LEU A 36 -1.282 2.333 3.972 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.063 2.341 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.970 0.164 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.343 0.032 1.168 1.00 0.00 H new ATOM 0 HG LEU A 36 0.836 1.686 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.327 0.301 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.358 -0.676 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.920 -0.612 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.444 2.453 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.021 1.680 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.164 3.034 0.696 1.00 0.00 H new ATOM 513 N ASN A 37 -4.185 1.092 1.286 1.00 0.00 N ATOM 514 CA ASN A 37 -5.550 0.607 1.404 1.00 0.00 C ATOM 515 C ASN A 37 -5.916 -0.183 0.146 1.00 0.00 C ATOM 516 O ASN A 37 -5.690 0.280 -0.971 1.00 0.00 O ATOM 517 CB ASN A 37 -6.537 1.769 1.536 1.00 0.00 C ATOM 518 CG ASN A 37 -5.994 2.846 2.477 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.809 2.635 3.664 1.00 0.00 O ATOM 520 ND2 ASN A 37 -5.748 4.010 1.882 1.00 0.00 N ATOM 0 H ASN A 37 -3.860 1.222 0.328 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.610 -0.020 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.728 2.202 0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.491 1.400 1.912 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.382 4.793 2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.925 4.120 0.884 1.00 0.00 H new ATOM 527 N TRP A 38 -6.475 -1.364 0.370 1.00 0.00 N ATOM 528 CA TRP A 38 -6.874 -2.223 -0.732 1.00 0.00 C ATOM 529 C TRP A 38 -8.135 -2.979 -0.309 1.00 0.00 C ATOM 530 O TRP A 38 -8.373 -3.180 0.881 1.00 0.00 O ATOM 531 CB TRP A 38 -5.731 -3.153 -1.144 1.00 0.00 C ATOM 532 CG TRP A 38 -5.217 -4.047 -0.014 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.655 -5.262 0.341 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.141 -3.744 0.900 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.945 -5.762 1.413 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.995 -4.810 1.763 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.319 -2.607 0.993 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.035 -4.845 2.782 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.366 -2.657 2.017 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.205 -3.723 2.894 1.00 0.00 C ATOM 0 H TRP A 38 -6.661 -1.746 1.298 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.103 -1.631 -1.619 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.068 -3.783 -1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.905 -2.551 -1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.462 -5.785 -0.150 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.091 -6.664 1.865 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.415 -1.762 0.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.940 -5.692 3.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.710 -1.807 2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.443 -3.686 3.659 1.00 0.00 H new ATOM 551 N GLU A 39 -8.911 -3.376 -1.306 1.00 0.00 N ATOM 552 CA GLU A 39 -10.143 -4.105 -1.052 1.00 0.00 C ATOM 553 C GLU A 39 -9.839 -5.434 -0.358 1.00 0.00 C ATOM 554 O GLU A 39 -8.689 -5.716 -0.025 1.00 0.00 O ATOM 555 CB GLU A 39 -10.924 -4.329 -2.348 1.00 0.00 C ATOM 556 CG GLU A 39 -12.220 -3.516 -2.355 1.00 0.00 C ATOM 557 CD GLU A 39 -13.410 -4.378 -1.928 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.477 -4.695 -0.720 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.226 -4.701 -2.818 1.00 0.00 O ATOM 0 H GLU A 39 -8.711 -3.207 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.767 -3.506 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.308 -4.045 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.155 -5.389 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.123 -2.664 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.396 -3.115 -3.353 1.00 0.00 H new ATOM 566 N GLN A 40 -10.891 -6.215 -0.159 1.00 0.00 N ATOM 567 CA GLN A 40 -10.751 -7.507 0.489 1.00 0.00 C ATOM 568 C GLN A 40 -10.764 -8.628 -0.552 1.00 0.00 C ATOM 569 O GLN A 40 -11.156 -8.411 -1.698 1.00 0.00 O ATOM 570 CB GLN A 40 -11.849 -7.717 1.535 1.00 0.00 C ATOM 571 CG GLN A 40 -13.228 -7.401 0.953 1.00 0.00 C ATOM 572 CD GLN A 40 -14.339 -7.830 1.913 1.00 0.00 C ATOM 573 OE1 GLN A 40 -14.561 -7.233 2.954 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.024 -8.895 1.507 1.00 0.00 N ATOM 0 H GLN A 40 -11.844 -5.977 -0.435 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.792 -7.530 1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.827 -8.748 1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.660 -7.080 2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.307 -6.332 0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.350 -7.913 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.787 -9.348 0.624 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.787 -9.259 2.078 1.00 0.00 H new ATOM 583 N VAL A 41 -10.331 -9.802 -0.116 1.00 0.00 N ATOM 584 CA VAL A 41 -10.288 -10.958 -0.997 1.00 0.00 C ATOM 585 C VAL A 41 -11.018 -12.127 -0.333 1.00 0.00 C ATOM 586 O VAL A 41 -10.575 -12.636 0.696 1.00 0.00 O ATOM 587 CB VAL A 41 -8.838 -11.286 -1.359 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.693 -12.754 -1.764 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.326 -10.359 -2.463 1.00 0.00 C ATOM 0 H VAL A 41 -10.007 -9.978 0.835 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.802 -10.744 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.225 -11.121 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.653 -12.961 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.999 -13.392 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.324 -12.957 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.293 -10.613 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.944 -10.477 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.376 -9.325 -2.122 1.00 0.00 H new ATOM 599 N LYS A 42 -12.124 -12.518 -0.947 1.00 0.00 N ATOM 600 CA LYS A 42 -12.919 -13.618 -0.429 1.00 0.00 C ATOM 601 C LYS A 42 -12.795 -14.819 -1.368 1.00 0.00 C ATOM 602 O LYS A 42 -13.171 -14.739 -2.537 1.00 0.00 O ATOM 603 CB LYS A 42 -14.363 -13.170 -0.191 1.00 0.00 C ATOM 604 CG LYS A 42 -14.521 -12.546 1.197 1.00 0.00 C ATOM 605 CD LYS A 42 -15.985 -12.205 1.481 1.00 0.00 C ATOM 606 CE LYS A 42 -16.471 -12.892 2.759 1.00 0.00 C ATOM 607 NZ LYS A 42 -16.773 -14.317 2.498 1.00 0.00 N ATOM 0 H LYS A 42 -12.489 -12.093 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.543 -13.934 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.654 -12.448 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.033 -14.024 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.151 -13.237 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.914 -11.643 1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.098 -11.125 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.604 -12.515 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.709 -12.812 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.362 -12.388 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.102 -14.769 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.516 -14.387 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.914 -14.798 2.162 1.00 0.00 H new ATOM 621 N ALA A 43 -12.268 -15.905 -0.823 1.00 0.00 N ATOM 622 CA ALA A 43 -12.089 -17.121 -1.598 1.00 0.00 C ATOM 623 C ALA A 43 -13.456 -17.758 -1.860 1.00 0.00 C ATOM 624 O ALA A 43 -14.319 -17.766 -0.984 1.00 0.00 O ATOM 625 CB ALA A 43 -11.139 -18.064 -0.858 1.00 0.00 C ATOM 0 H ALA A 43 -11.959 -15.968 0.147 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.638 -16.897 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.005 -18.976 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.174 -17.575 -0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.560 -18.314 0.116 1.00 0.00 H new ATOM 631 N MET A 44 -13.609 -18.277 -3.070 1.00 0.00 N ATOM 632 CA MET A 44 -14.855 -18.915 -3.458 1.00 0.00 C ATOM 633 C MET A 44 -14.739 -20.438 -3.380 1.00 0.00 C ATOM 634 O MET A 44 -13.843 -20.963 -2.721 1.00 0.00 O ATOM 635 CB MET A 44 -15.216 -18.503 -4.887 1.00 0.00 C ATOM 636 CG MET A 44 -14.217 -19.080 -5.893 1.00 0.00 C ATOM 637 SD MET A 44 -15.060 -19.530 -7.400 1.00 0.00 S ATOM 638 CE MET A 44 -13.942 -18.828 -8.602 1.00 0.00 C ATOM 0 H MET A 44 -12.891 -18.268 -3.794 1.00 0.00 H new ATOM 0 HA MET A 44 -15.636 -18.593 -2.769 1.00 0.00 H new ATOM 0 HB2 MET A 44 -16.221 -18.851 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 44 -15.228 -17.416 -4.964 1.00 0.00 H new ATOM 0 HG2 MET A 44 -13.439 -18.347 -6.107 1.00 0.00 H new ATOM 0 HG3 MET A 44 -13.724 -19.954 -5.468 1.00 0.00 H new ATOM 0 HE1 MET A 44 -14.320 -19.019 -9.606 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.864 -17.753 -8.442 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.958 -19.283 -8.493 1.00 0.00 H new ATOM 648 N GLU A 45 -15.658 -21.106 -4.061 1.00 0.00 N ATOM 649 CA GLU A 45 -15.671 -22.558 -4.077 1.00 0.00 C ATOM 650 C GLU A 45 -15.111 -23.108 -2.764 1.00 0.00 C ATOM 651 O GLU A 45 -15.362 -22.551 -1.696 1.00 0.00 O ATOM 652 CB GLU A 45 -14.889 -23.100 -5.276 1.00 0.00 C ATOM 653 CG GLU A 45 -15.413 -24.475 -5.696 1.00 0.00 C ATOM 654 CD GLU A 45 -16.344 -24.360 -6.905 1.00 0.00 C ATOM 655 OE1 GLU A 45 -15.822 -24.042 -7.995 1.00 0.00 O ATOM 656 OE2 GLU A 45 -17.557 -24.593 -6.712 1.00 0.00 O ATOM 0 H GLU A 45 -16.400 -20.667 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.704 -22.892 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.970 -22.405 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.831 -23.172 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.575 -25.129 -5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.946 -24.935 -4.864 1.00 0.00 H new ATOM 663 N ASN A 46 -14.363 -24.195 -2.885 1.00 0.00 N ATOM 664 CA ASN A 46 -13.766 -24.826 -1.720 1.00 0.00 C ATOM 665 C ASN A 46 -12.353 -24.275 -1.515 1.00 0.00 C ATOM 666 O ASN A 46 -11.512 -24.928 -0.898 1.00 0.00 O ATOM 667 CB ASN A 46 -13.660 -26.341 -1.909 1.00 0.00 C ATOM 668 CG ASN A 46 -14.703 -27.073 -1.062 1.00 0.00 C ATOM 669 OD1 ASN A 46 -15.879 -26.748 -1.061 1.00 0.00 O ATOM 670 ND2 ASN A 46 -14.208 -28.077 -0.343 1.00 0.00 N ATOM 0 H ASN A 46 -14.157 -24.655 -3.772 1.00 0.00 H new ATOM 0 HA ASN A 46 -14.399 -24.613 -0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.800 -26.591 -2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.661 -26.677 -1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.824 -28.628 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.213 -28.296 -0.390 1.00 0.00 H new ATOM 677 N GLU A 47 -12.136 -23.081 -2.045 1.00 0.00 N ATOM 678 CA GLU A 47 -10.840 -22.435 -1.928 1.00 0.00 C ATOM 679 C GLU A 47 -10.585 -22.013 -0.479 1.00 0.00 C ATOM 680 O GLU A 47 -11.497 -22.037 0.347 1.00 0.00 O ATOM 681 CB GLU A 47 -10.737 -21.236 -2.873 1.00 0.00 C ATOM 682 CG GLU A 47 -10.114 -21.644 -4.210 1.00 0.00 C ATOM 683 CD GLU A 47 -10.852 -22.839 -4.817 1.00 0.00 C ATOM 684 OE1 GLU A 47 -10.814 -23.913 -4.178 1.00 0.00 O ATOM 685 OE2 GLU A 47 -11.437 -22.652 -5.905 1.00 0.00 O ATOM 0 H GLU A 47 -12.836 -22.544 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.072 -23.152 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.728 -20.816 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.134 -20.454 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.146 -20.802 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.064 -21.897 -4.064 1.00 0.00 H new ATOM 692 N SER A 48 -9.343 -21.638 -0.215 1.00 0.00 N ATOM 693 CA SER A 48 -8.957 -21.212 1.120 1.00 0.00 C ATOM 694 C SER A 48 -9.123 -19.697 1.254 1.00 0.00 C ATOM 695 O SER A 48 -8.598 -18.937 0.442 1.00 0.00 O ATOM 696 CB SER A 48 -7.515 -21.618 1.433 1.00 0.00 C ATOM 697 OG SER A 48 -7.438 -22.928 1.988 1.00 0.00 O ATOM 0 H SER A 48 -8.590 -21.620 -0.903 1.00 0.00 H new ATOM 0 HA SER A 48 -9.609 -21.708 1.839 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.920 -21.575 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.080 -20.902 2.131 1.00 0.00 H new ATOM 0 HG SER A 48 -6.502 -23.151 2.172 1.00 0.00 H new ATOM 703 N GLU A 49 -9.855 -19.303 2.286 1.00 0.00 N ATOM 704 CA GLU A 49 -10.097 -17.893 2.537 1.00 0.00 C ATOM 705 C GLU A 49 -8.793 -17.191 2.924 1.00 0.00 C ATOM 706 O GLU A 49 -7.805 -17.847 3.249 1.00 0.00 O ATOM 707 CB GLU A 49 -11.163 -17.703 3.618 1.00 0.00 C ATOM 708 CG GLU A 49 -10.569 -17.895 5.014 1.00 0.00 C ATOM 709 CD GLU A 49 -11.607 -18.474 5.977 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.682 -17.848 6.095 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.302 -19.530 6.573 1.00 0.00 O ATOM 0 H GLU A 49 -10.288 -19.936 2.958 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.472 -17.440 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.595 -16.705 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.974 -18.415 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.708 -18.561 4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.208 -16.939 5.394 1.00 0.00 H new ATOM 718 N VAL A 50 -8.834 -15.868 2.875 1.00 0.00 N ATOM 719 CA VAL A 50 -7.668 -15.071 3.216 1.00 0.00 C ATOM 720 C VAL A 50 -7.628 -14.855 4.731 1.00 0.00 C ATOM 721 O VAL A 50 -8.580 -14.337 5.312 1.00 0.00 O ATOM 722 CB VAL A 50 -7.680 -13.761 2.426 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.540 -12.842 2.870 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.614 -14.028 0.921 1.00 0.00 C ATOM 0 H VAL A 50 -9.656 -15.328 2.604 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.753 -15.595 2.938 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.621 -13.252 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.572 -11.918 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.650 -12.612 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.585 -13.341 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.624 -13.080 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.697 -14.569 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.474 -14.626 0.619 1.00 0.00 H new ATOM 734 N THR A 51 -6.517 -15.263 5.325 1.00 0.00 N ATOM 735 CA THR A 51 -6.341 -15.121 6.761 1.00 0.00 C ATOM 736 C THR A 51 -5.592 -13.825 7.080 1.00 0.00 C ATOM 737 O THR A 51 -5.568 -13.385 8.229 1.00 0.00 O ATOM 738 CB THR A 51 -5.633 -16.375 7.277 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.342 -16.318 6.675 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.246 -17.663 6.722 1.00 0.00 C ATOM 0 H THR A 51 -5.730 -15.692 4.839 1.00 0.00 H new ATOM 0 HA THR A 51 -7.301 -15.039 7.271 1.00 0.00 H new ATOM 0 HB THR A 51 -5.674 -16.393 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.815 -17.094 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.707 -18.523 7.119 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.294 -17.724 7.017 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.175 -17.661 5.634 1.00 0.00 H new ATOM 748 N GLY A 52 -4.998 -13.252 6.044 1.00 0.00 N ATOM 749 CA GLY A 52 -4.250 -12.016 6.200 1.00 0.00 C ATOM 750 C GLY A 52 -3.727 -11.518 4.852 1.00 0.00 C ATOM 751 O GLY A 52 -4.303 -11.820 3.808 1.00 0.00 O ATOM 0 H GLY A 52 -5.019 -13.621 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.888 -11.255 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.415 -12.176 6.882 1.00 0.00 H new ATOM 755 N TYR A 53 -2.640 -10.762 4.917 1.00 0.00 N ATOM 756 CA TYR A 53 -2.033 -10.219 3.714 1.00 0.00 C ATOM 757 C TYR A 53 -0.555 -9.895 3.944 1.00 0.00 C ATOM 758 O TYR A 53 -0.091 -9.872 5.083 1.00 0.00 O ATOM 759 CB TYR A 53 -2.785 -8.922 3.410 1.00 0.00 C ATOM 760 CG TYR A 53 -4.205 -9.137 2.881 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.257 -9.269 3.764 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.434 -9.198 1.522 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.594 -9.470 3.267 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.770 -9.399 1.024 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.784 -9.526 1.921 1.00 0.00 C ATOM 766 OH TYR A 53 -8.046 -9.716 1.452 1.00 0.00 O ATOM 0 H TYR A 53 -2.164 -10.513 5.784 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.092 -10.938 2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.833 -8.320 4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.218 -8.348 2.677 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.078 -9.222 4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.610 -9.095 0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.426 -9.574 3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.962 -9.448 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.623 -10.025 2.181 1.00 0.00 H new ATOM 776 N LYS A 54 0.143 -9.652 2.844 1.00 0.00 N ATOM 777 CA LYS A 54 1.558 -9.330 2.912 1.00 0.00 C ATOM 778 C LYS A 54 1.855 -8.157 1.976 1.00 0.00 C ATOM 779 O LYS A 54 1.669 -8.261 0.765 1.00 0.00 O ATOM 780 CB LYS A 54 2.404 -10.573 2.627 1.00 0.00 C ATOM 781 CG LYS A 54 2.242 -11.613 3.738 1.00 0.00 C ATOM 782 CD LYS A 54 2.648 -13.005 3.249 1.00 0.00 C ATOM 783 CE LYS A 54 2.900 -13.948 4.427 1.00 0.00 C ATOM 784 NZ LYS A 54 2.623 -15.349 4.038 1.00 0.00 N ATOM 0 H LYS A 54 -0.245 -9.672 1.901 1.00 0.00 H new ATOM 0 HA LYS A 54 1.829 -9.012 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.109 -11.007 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.453 -10.291 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.853 -11.332 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.206 -11.630 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.863 -13.414 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.548 -12.932 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.933 -13.855 4.761 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.267 -13.666 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.799 -15.976 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.630 -15.437 3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.245 -15.620 3.250 1.00 0.00 H new ATOM 798 N VAL A 55 2.312 -7.066 2.574 1.00 0.00 N ATOM 799 CA VAL A 55 2.637 -5.874 1.809 1.00 0.00 C ATOM 800 C VAL A 55 4.105 -5.932 1.382 1.00 0.00 C ATOM 801 O VAL A 55 5.002 -5.863 2.220 1.00 0.00 O ATOM 802 CB VAL A 55 2.300 -4.623 2.623 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.513 -3.355 1.793 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.870 -4.689 3.164 1.00 0.00 C ATOM 0 H VAL A 55 2.465 -6.983 3.579 1.00 0.00 H new ATOM 0 HA VAL A 55 2.036 -5.827 0.901 1.00 0.00 H new ATOM 0 HB VAL A 55 2.979 -4.585 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.266 -2.480 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.555 -3.297 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.870 -3.383 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.656 -3.788 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.169 -4.764 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.764 -5.563 3.807 1.00 0.00 H new ATOM 814 N PHE A 56 4.303 -6.057 0.078 1.00 0.00 N ATOM 815 CA PHE A 56 5.647 -6.124 -0.471 1.00 0.00 C ATOM 816 C PHE A 56 6.078 -4.769 -1.035 1.00 0.00 C ATOM 817 O PHE A 56 5.694 -4.404 -2.146 1.00 0.00 O ATOM 818 CB PHE A 56 5.615 -7.149 -1.607 1.00 0.00 C ATOM 819 CG PHE A 56 5.594 -8.604 -1.132 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.458 -9.129 -0.600 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.711 -9.371 -1.243 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.439 -10.479 -0.160 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.692 -10.721 -0.803 1.00 0.00 C ATOM 824 CZ PHE A 56 5.556 -11.246 -0.270 1.00 0.00 C ATOM 0 H PHE A 56 3.556 -6.114 -0.614 1.00 0.00 H new ATOM 0 HA PHE A 56 6.354 -6.403 0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.735 -6.966 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.487 -6.998 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.571 -8.520 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.613 -8.954 -1.666 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.537 -10.897 0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.579 -11.331 -0.892 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.541 -12.272 0.066 1.00 0.00 H new ATOM 834 N TYR A 57 6.869 -4.059 -0.244 1.00 0.00 N ATOM 835 CA TYR A 57 7.356 -2.752 -0.651 1.00 0.00 C ATOM 836 C TYR A 57 8.855 -2.794 -0.951 1.00 0.00 C ATOM 837 O TYR A 57 9.626 -3.388 -0.198 1.00 0.00 O ATOM 838 CB TYR A 57 7.112 -1.822 0.540 1.00 0.00 C ATOM 839 CG TYR A 57 7.593 -2.386 1.878 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.763 -3.197 2.624 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.858 -2.082 2.340 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.217 -3.728 3.884 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.312 -2.612 3.599 1.00 0.00 C ATOM 844 CZ TYR A 57 8.468 -3.409 4.309 1.00 0.00 C ATOM 845 OH TYR A 57 8.896 -3.910 5.499 1.00 0.00 O ATOM 0 H TYR A 57 7.185 -4.364 0.677 1.00 0.00 H new ATOM 0 HA TYR A 57 6.847 -2.417 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.615 -0.873 0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.045 -1.609 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.773 -3.434 2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.507 -1.446 1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.578 -4.365 4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.299 -2.382 3.971 1.00 0.00 H new ATOM 0 HH TYR A 57 9.809 -3.600 5.675 1.00 0.00 H new ATOM 855 N ARG A 58 9.224 -2.156 -2.052 1.00 0.00 N ATOM 856 CA ARG A 58 10.618 -2.113 -2.460 1.00 0.00 C ATOM 857 C ARG A 58 10.868 -0.908 -3.368 1.00 0.00 C ATOM 858 O ARG A 58 10.042 -0.587 -4.222 1.00 0.00 O ATOM 859 CB ARG A 58 11.014 -3.392 -3.201 1.00 0.00 C ATOM 860 CG ARG A 58 10.043 -3.685 -4.347 1.00 0.00 C ATOM 861 CD ARG A 58 10.644 -4.691 -5.331 1.00 0.00 C ATOM 862 NE ARG A 58 10.969 -4.018 -6.608 1.00 0.00 N ATOM 863 CZ ARG A 58 10.100 -3.858 -7.615 1.00 0.00 C ATOM 864 NH1 ARG A 58 8.848 -4.321 -7.500 1.00 0.00 N ATOM 865 NH2 ARG A 58 10.483 -3.234 -8.738 1.00 0.00 N ATOM 0 H ARG A 58 8.582 -1.665 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 58 11.225 -2.025 -1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.026 -3.291 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.025 -4.231 -2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.109 -4.077 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.802 -2.759 -4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.544 -5.135 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.940 -5.504 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 58 11.914 -3.653 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.556 -4.795 -6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.187 -4.199 -8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.436 -2.881 -8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.821 -3.112 -9.505 1.00 0.00 H new ATOM 879 N THR A 59 12.011 -0.272 -3.154 1.00 0.00 N ATOM 880 CA THR A 59 12.380 0.891 -3.942 1.00 0.00 C ATOM 881 C THR A 59 12.520 0.513 -5.418 1.00 0.00 C ATOM 882 O THR A 59 12.537 -0.669 -5.761 1.00 0.00 O ATOM 883 CB THR A 59 13.658 1.482 -3.343 1.00 0.00 C ATOM 884 OG1 THR A 59 13.503 1.291 -1.939 1.00 0.00 O ATOM 885 CG2 THR A 59 13.732 3.002 -3.506 1.00 0.00 C ATOM 0 H THR A 59 12.694 -0.541 -2.446 1.00 0.00 H new ATOM 0 HA THR A 59 11.603 1.655 -3.907 1.00 0.00 H new ATOM 0 HB THR A 59 14.527 1.023 -3.815 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.289 1.645 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.658 3.371 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.709 3.256 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.882 3.464 -3.004 1.00 0.00 H new ATOM 893 N SER A 60 12.616 1.537 -6.252 1.00 0.00 N ATOM 894 CA SER A 60 12.754 1.327 -7.683 1.00 0.00 C ATOM 895 C SER A 60 14.044 0.559 -7.977 1.00 0.00 C ATOM 896 O SER A 60 15.135 1.124 -7.915 1.00 0.00 O ATOM 897 CB SER A 60 12.744 2.657 -8.439 1.00 0.00 C ATOM 898 OG SER A 60 13.929 2.844 -9.208 1.00 0.00 O ATOM 0 H SER A 60 12.601 2.515 -5.964 1.00 0.00 H new ATOM 0 HA SER A 60 11.902 0.739 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.876 2.693 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.640 3.477 -7.728 1.00 0.00 H new ATOM 0 HG SER A 60 14.710 2.589 -8.673 1.00 0.00 H new ATOM 904 N SER A 61 13.877 -0.717 -8.292 1.00 0.00 N ATOM 905 CA SER A 61 15.015 -1.568 -8.596 1.00 0.00 C ATOM 906 C SER A 61 15.880 -1.750 -7.347 1.00 0.00 C ATOM 907 O SER A 61 16.959 -1.167 -7.244 1.00 0.00 O ATOM 908 CB SER A 61 15.849 -0.985 -9.739 1.00 0.00 C ATOM 909 OG SER A 61 16.099 -1.947 -10.761 1.00 0.00 O ATOM 0 H SER A 61 12.971 -1.182 -8.343 1.00 0.00 H new ATOM 0 HA SER A 61 14.640 -2.540 -8.916 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.329 -0.128 -10.167 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.797 -0.619 -9.346 1.00 0.00 H new ATOM 0 HG SER A 61 16.632 -1.536 -11.473 1.00 0.00 H new ATOM 915 N GLN A 62 15.376 -2.562 -6.430 1.00 0.00 N ATOM 916 CA GLN A 62 16.089 -2.829 -5.192 1.00 0.00 C ATOM 917 C GLN A 62 16.702 -4.230 -5.225 1.00 0.00 C ATOM 918 O GLN A 62 17.002 -4.756 -6.296 1.00 0.00 O ATOM 919 CB GLN A 62 15.169 -2.661 -3.982 1.00 0.00 C ATOM 920 CG GLN A 62 15.906 -1.988 -2.822 1.00 0.00 C ATOM 921 CD GLN A 62 15.780 -2.813 -1.540 1.00 0.00 C ATOM 922 OE1 GLN A 62 14.700 -3.198 -1.123 1.00 0.00 O ATOM 923 NE2 GLN A 62 16.940 -3.061 -0.940 1.00 0.00 N ATOM 0 H GLN A 62 14.482 -3.044 -6.519 1.00 0.00 H new ATOM 0 HA GLN A 62 16.896 -2.103 -5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.301 -2.064 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.797 -3.635 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.958 -1.865 -3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.499 -0.990 -2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.808 -2.709 -1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.962 -3.604 -0.077 1.00 0.00 H new ATOM 932 N ASN A 63 16.871 -4.795 -4.038 1.00 0.00 N ATOM 933 CA ASN A 63 17.443 -6.125 -3.917 1.00 0.00 C ATOM 934 C ASN A 63 16.665 -6.916 -2.863 1.00 0.00 C ATOM 935 O ASN A 63 16.987 -6.861 -1.677 1.00 0.00 O ATOM 936 CB ASN A 63 18.905 -6.058 -3.473 1.00 0.00 C ATOM 937 CG ASN A 63 19.768 -7.032 -4.277 1.00 0.00 C ATOM 938 OD1 ASN A 63 19.400 -7.491 -5.346 1.00 0.00 O ATOM 939 ND2 ASN A 63 20.934 -7.321 -3.706 1.00 0.00 N ATOM 0 H ASN A 63 16.622 -4.356 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 63 17.384 -6.607 -4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.281 -5.043 -3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.977 -6.294 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.582 -7.962 -4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 63 21.181 -6.902 -2.809 1.00 0.00 H new ATOM 946 N ASN A 64 15.655 -7.633 -3.334 1.00 0.00 N ATOM 947 CA ASN A 64 14.829 -8.435 -2.447 1.00 0.00 C ATOM 948 C ASN A 64 13.869 -7.518 -1.685 1.00 0.00 C ATOM 949 O ASN A 64 14.300 -6.694 -0.879 1.00 0.00 O ATOM 950 CB ASN A 64 15.684 -9.181 -1.421 1.00 0.00 C ATOM 951 CG ASN A 64 16.937 -9.768 -2.075 1.00 0.00 C ATOM 952 OD1 ASN A 64 17.100 -9.758 -3.284 1.00 0.00 O ATOM 953 ND2 ASN A 64 17.809 -10.280 -1.212 1.00 0.00 N ATOM 0 H ASN A 64 15.390 -7.675 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 64 14.284 -9.157 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.972 -8.501 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.098 -9.980 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.676 -10.697 -1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 64 17.611 -10.256 -0.212 1.00 0.00 H new ATOM 960 N VAL A 65 12.586 -7.693 -1.966 1.00 0.00 N ATOM 961 CA VAL A 65 11.562 -6.892 -1.317 1.00 0.00 C ATOM 962 C VAL A 65 11.165 -7.553 0.004 1.00 0.00 C ATOM 963 O VAL A 65 11.203 -8.776 0.127 1.00 0.00 O ATOM 964 CB VAL A 65 10.378 -6.690 -2.264 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.853 -8.032 -2.779 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.264 -5.890 -1.586 1.00 0.00 C ATOM 0 H VAL A 65 12.232 -8.378 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 65 11.946 -5.899 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 65 10.729 -6.116 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.011 -7.860 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.646 -8.551 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.527 -8.642 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.434 -5.761 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.917 -6.426 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.646 -4.913 -1.291 1.00 0.00 H new ATOM 976 N GLN A 66 10.794 -6.714 0.960 1.00 0.00 N ATOM 977 CA GLN A 66 10.390 -7.201 2.268 1.00 0.00 C ATOM 978 C GLN A 66 8.869 -7.345 2.335 1.00 0.00 C ATOM 979 O GLN A 66 8.156 -6.858 1.458 1.00 0.00 O ATOM 980 CB GLN A 66 10.903 -6.281 3.378 1.00 0.00 C ATOM 981 CG GLN A 66 12.433 -6.258 3.409 1.00 0.00 C ATOM 982 CD GLN A 66 12.947 -5.063 4.213 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.899 -5.034 5.431 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.441 -4.080 3.465 1.00 0.00 N ATOM 0 H GLN A 66 10.765 -5.700 0.855 1.00 0.00 H new ATOM 0 HA GLN A 66 10.835 -8.184 2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.524 -5.271 3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.521 -6.620 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.805 -7.184 3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.820 -6.210 2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.451 -4.168 2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.809 -3.238 3.908 1.00 0.00 H new ATOM 993 N VAL A 67 8.415 -8.017 3.383 1.00 0.00 N ATOM 994 CA VAL A 67 6.991 -8.232 3.575 1.00 0.00 C ATOM 995 C VAL A 67 6.566 -7.632 4.917 1.00 0.00 C ATOM 996 O VAL A 67 7.363 -7.567 5.852 1.00 0.00 O ATOM 997 CB VAL A 67 6.666 -9.722 3.457 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.331 -10.047 4.130 1.00 0.00 C ATOM 999 CG2 VAL A 67 6.665 -10.168 1.993 1.00 0.00 C ATOM 0 H VAL A 67 9.009 -8.420 4.108 1.00 0.00 H new ATOM 0 HA VAL A 67 6.420 -7.726 2.797 1.00 0.00 H new ATOM 0 HB VAL A 67 7.447 -10.278 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.124 -11.113 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.382 -9.783 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.534 -9.477 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.431 -11.231 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.915 -9.602 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.648 -9.989 1.557 1.00 0.00 H new ATOM 1009 N LEU A 68 5.311 -7.209 4.970 1.00 0.00 N ATOM 1010 CA LEU A 68 4.771 -6.617 6.181 1.00 0.00 C ATOM 1011 C LEU A 68 3.474 -7.335 6.560 1.00 0.00 C ATOM 1012 O LEU A 68 2.560 -7.444 5.744 1.00 0.00 O ATOM 1013 CB LEU A 68 4.611 -5.105 6.014 1.00 0.00 C ATOM 1014 CG LEU A 68 3.384 -4.482 6.683 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.710 -3.097 7.245 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.194 -4.446 5.723 1.00 0.00 C ATOM 0 H LEU A 68 4.653 -7.265 4.193 1.00 0.00 H new ATOM 0 HA LEU A 68 5.464 -6.750 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.502 -4.619 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.573 -4.879 4.948 1.00 0.00 H new ATOM 0 HG LEU A 68 3.098 -5.112 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.821 -2.677 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.506 -3.183 7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.036 -2.444 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.336 -3.999 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.452 -3.853 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.945 -5.461 5.414 1.00 0.00 H new ATOM 1028 N ASN A 69 3.435 -7.805 7.798 1.00 0.00 N ATOM 1029 CA ASN A 69 2.265 -8.510 8.294 1.00 0.00 C ATOM 1030 C ASN A 69 1.151 -7.500 8.580 1.00 0.00 C ATOM 1031 O ASN A 69 1.383 -6.481 9.227 1.00 0.00 O ATOM 1032 CB ASN A 69 2.578 -9.249 9.596 1.00 0.00 C ATOM 1033 CG ASN A 69 3.005 -10.692 9.318 1.00 0.00 C ATOM 1034 OD1 ASN A 69 2.321 -11.645 9.654 1.00 0.00 O ATOM 1035 ND2 ASN A 69 4.171 -10.799 8.688 1.00 0.00 N ATOM 0 H ASN A 69 4.195 -7.712 8.472 1.00 0.00 H new ATOM 0 HA ASN A 69 1.958 -9.230 7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.371 -8.728 10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.700 -9.244 10.242 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.543 -11.720 8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.693 -9.960 8.435 1.00 0.00 H new ATOM 1042 N THR A 70 -0.035 -7.820 8.084 1.00 0.00 N ATOM 1043 CA THR A 70 -1.186 -6.954 8.277 1.00 0.00 C ATOM 1044 C THR A 70 -2.481 -7.766 8.212 1.00 0.00 C ATOM 1045 O THR A 70 -2.858 -8.255 7.148 1.00 0.00 O ATOM 1046 CB THR A 70 -1.116 -5.835 7.236 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.469 -5.412 7.091 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.736 -6.351 5.847 1.00 0.00 C ATOM 0 H THR A 70 -0.224 -8.667 7.549 1.00 0.00 H new ATOM 0 HA THR A 70 -1.176 -6.497 9.266 1.00 0.00 H new ATOM 0 HB THR A 70 -0.391 -5.086 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.490 -4.507 6.717 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.700 -5.517 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.242 -6.829 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.479 -7.075 5.512 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.127 -7.883 9.362 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.372 -8.627 9.449 1.00 0.00 C ATOM 1058 C ASN A 71 -5.543 -7.689 9.149 1.00 0.00 C ATOM 1059 O ASN A 71 -6.524 -7.657 9.892 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.574 -9.202 10.852 1.00 0.00 C ATOM 1061 CG ASN A 71 -4.443 -8.110 11.916 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -5.362 -7.352 12.181 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -3.253 -8.073 12.509 1.00 0.00 N ATOM 0 H ASN A 71 -2.812 -7.475 10.242 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.328 -9.444 8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.558 -9.666 10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.839 -9.985 11.037 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.066 -7.380 13.234 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.528 -8.737 12.239 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.403 -6.949 8.059 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.437 -6.013 7.652 1.00 0.00 C ATOM 1072 C LYS A 72 -6.322 -5.755 6.148 1.00 0.00 C ATOM 1073 O LYS A 72 -5.453 -6.316 5.483 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.374 -4.742 8.501 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.946 -4.196 8.564 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.632 -3.640 9.955 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.637 -2.481 9.871 1.00 0.00 C ATOM 1078 NZ LYS A 72 -2.605 -2.607 10.925 1.00 0.00 N ATOM 0 H LYS A 72 -4.589 -6.979 7.445 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.426 -6.437 7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.038 -3.986 8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.731 -4.955 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.239 -4.988 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.820 -3.412 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.552 -3.300 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.222 -4.431 10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.163 -2.471 8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.164 -1.533 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.938 -1.813 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.060 -2.594 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.091 -3.503 10.802 1.00 0.00 H new ATOM 1092 N THR A 73 -7.212 -4.906 5.656 1.00 0.00 N ATOM 1093 CA THR A 73 -7.221 -4.567 4.243 1.00 0.00 C ATOM 1094 C THR A 73 -6.448 -3.269 4.001 1.00 0.00 C ATOM 1095 O THR A 73 -6.453 -2.737 2.892 1.00 0.00 O ATOM 1096 CB THR A 73 -8.679 -4.500 3.782 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.384 -4.032 4.929 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.273 -5.885 3.519 1.00 0.00 C ATOM 0 H THR A 73 -7.932 -4.443 6.210 1.00 0.00 H new ATOM 0 HA THR A 73 -6.712 -5.327 3.651 1.00 0.00 H new ATOM 0 HB THR A 73 -8.747 -3.898 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.338 -3.957 4.719 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.308 -5.781 3.195 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.697 -6.386 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.237 -6.476 4.434 1.00 0.00 H new ATOM 1106 N SER A 74 -5.802 -2.797 5.057 1.00 0.00 N ATOM 1107 CA SER A 74 -5.025 -1.572 4.973 1.00 0.00 C ATOM 1108 C SER A 74 -3.635 -1.791 5.575 1.00 0.00 C ATOM 1109 O SER A 74 -3.343 -2.866 6.096 1.00 0.00 O ATOM 1110 CB SER A 74 -5.736 -0.420 5.686 1.00 0.00 C ATOM 1111 OG SER A 74 -6.028 -0.731 7.045 1.00 0.00 O ATOM 0 H SER A 74 -5.801 -3.241 5.975 1.00 0.00 H new ATOM 0 HA SER A 74 -4.920 -1.305 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.111 0.472 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.662 -0.185 5.161 1.00 0.00 H new ATOM 0 HG SER A 74 -6.480 0.030 7.465 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.816 -0.754 5.484 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.464 -0.819 6.012 1.00 0.00 C ATOM 1119 C ALA A 75 -0.895 0.597 6.123 1.00 0.00 C ATOM 1120 O ALA A 75 -1.556 1.566 5.753 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.610 -1.723 5.121 1.00 0.00 C ATOM 0 H ALA A 75 -3.063 0.137 5.052 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.463 -1.253 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.404 -1.771 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.040 -2.724 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.585 -1.318 4.109 1.00 0.00 H new ATOM 1127 N GLU A 76 0.325 0.672 6.634 1.00 0.00 N ATOM 1128 CA GLU A 76 0.990 1.953 6.798 1.00 0.00 C ATOM 1129 C GLU A 76 2.506 1.783 6.675 1.00 0.00 C ATOM 1130 O GLU A 76 3.110 1.012 7.418 1.00 0.00 O ATOM 1131 CB GLU A 76 0.617 2.597 8.134 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.834 3.083 8.123 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.249 3.603 9.501 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.426 4.323 10.107 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -2.379 3.268 9.917 1.00 0.00 O ATOM 0 H GLU A 76 0.870 -0.134 6.940 1.00 0.00 H new ATOM 0 HA GLU A 76 0.653 2.620 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.757 1.877 8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.283 3.435 8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.951 3.874 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.492 2.267 7.825 1.00 0.00 H new ATOM 1142 N LEU A 77 3.076 2.517 5.731 1.00 0.00 N ATOM 1143 CA LEU A 77 4.510 2.458 5.500 1.00 0.00 C ATOM 1144 C LEU A 77 5.119 3.840 5.744 1.00 0.00 C ATOM 1145 O LEU A 77 4.412 4.778 6.112 1.00 0.00 O ATOM 1146 CB LEU A 77 4.807 1.891 4.111 1.00 0.00 C ATOM 1147 CG LEU A 77 4.416 0.429 3.884 1.00 0.00 C ATOM 1148 CD1 LEU A 77 4.208 0.141 2.396 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.441 -0.516 4.514 1.00 0.00 C ATOM 0 H LEU A 77 2.571 3.156 5.117 1.00 0.00 H new ATOM 0 HA LEU A 77 4.981 1.773 6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.290 2.503 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.875 1.995 3.919 1.00 0.00 H new ATOM 0 HG LEU A 77 3.463 0.249 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.931 -0.905 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.413 0.779 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.132 0.343 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.140 -1.549 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.419 -0.342 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.495 -0.331 5.587 1.00 0.00 H new ATOM 1161 N VAL A 78 6.424 3.923 5.529 1.00 0.00 N ATOM 1162 CA VAL A 78 7.135 5.175 5.721 1.00 0.00 C ATOM 1163 C VAL A 78 7.421 5.808 4.358 1.00 0.00 C ATOM 1164 O VAL A 78 7.528 5.106 3.353 1.00 0.00 O ATOM 1165 CB VAL A 78 8.402 4.936 6.546 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.058 4.372 7.926 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.374 4.017 5.805 1.00 0.00 C ATOM 0 H VAL A 78 7.007 3.144 5.224 1.00 0.00 H new ATOM 0 HA VAL A 78 6.523 5.879 6.285 1.00 0.00 H new ATOM 0 HB VAL A 78 8.895 5.898 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.975 4.211 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.421 5.078 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.532 3.424 7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.265 3.864 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.894 3.057 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.656 4.475 4.857 1.00 0.00 H new ATOM 1177 N LEU A 79 7.537 7.128 4.367 1.00 0.00 N ATOM 1178 CA LEU A 79 7.808 7.864 3.143 1.00 0.00 C ATOM 1179 C LEU A 79 9.155 7.417 2.573 1.00 0.00 C ATOM 1180 O LEU A 79 10.098 7.165 3.322 1.00 0.00 O ATOM 1181 CB LEU A 79 7.714 9.370 3.392 1.00 0.00 C ATOM 1182 CG LEU A 79 8.579 9.917 4.529 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.020 10.138 4.065 1.00 0.00 C ATOM 1184 CD2 LEU A 79 7.967 11.189 5.121 1.00 0.00 C ATOM 0 H LEU A 79 7.448 7.707 5.202 1.00 0.00 H new ATOM 0 HA LEU A 79 7.053 7.642 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.987 9.888 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.674 9.619 3.601 1.00 0.00 H new ATOM 0 HG LEU A 79 8.607 9.172 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.613 10.527 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.443 9.191 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.032 10.853 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.602 11.557 5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.888 11.950 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.975 10.967 5.513 1.00 0.00 H new ATOM 1196 N PRO A 80 9.205 7.331 1.217 1.00 0.00 N ATOM 1197 CA PRO A 80 10.422 6.920 0.537 1.00 0.00 C ATOM 1198 C PRO A 80 11.458 8.045 0.539 1.00 0.00 C ATOM 1199 O PRO A 80 11.132 9.195 0.831 1.00 0.00 O ATOM 1200 CB PRO A 80 9.977 6.524 -0.861 1.00 0.00 C ATOM 1201 CG PRO A 80 8.613 7.165 -1.062 1.00 0.00 C ATOM 1202 CD PRO A 80 8.109 7.623 0.297 1.00 0.00 C ATOM 0 HA PRO A 80 10.920 6.087 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.687 6.874 -1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.917 5.440 -0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.685 8.010 -1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.918 6.453 -1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.869 8.686 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.201 7.092 0.582 1.00 0.00 H new ATOM 1210 N ILE A 81 12.687 7.676 0.208 1.00 0.00 N ATOM 1211 CA ILE A 81 13.773 8.640 0.168 1.00 0.00 C ATOM 1212 C ILE A 81 14.153 8.913 -1.289 1.00 0.00 C ATOM 1213 O ILE A 81 13.994 10.031 -1.777 1.00 0.00 O ATOM 1214 CB ILE A 81 14.944 8.164 1.030 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.468 7.754 2.425 1.00 0.00 C ATOM 1216 CG2 ILE A 81 16.048 9.223 1.089 1.00 0.00 C ATOM 1217 CD1 ILE A 81 14.016 8.975 3.230 1.00 0.00 C ATOM 0 H ILE A 81 12.954 6.722 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 81 13.456 9.590 0.599 1.00 0.00 H new ATOM 0 HB ILE A 81 15.373 7.277 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 81 13.644 7.045 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.274 7.244 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.868 8.859 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.414 9.423 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.649 10.141 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.682 8.657 4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 81 14.849 9.670 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 81 13.194 9.469 2.711 1.00 0.00 H new ATOM 1229 N LYS A 82 14.649 7.873 -1.943 1.00 0.00 N ATOM 1230 CA LYS A 82 15.052 7.986 -3.334 1.00 0.00 C ATOM 1231 C LYS A 82 14.476 6.811 -4.126 1.00 0.00 C ATOM 1232 O LYS A 82 14.117 5.786 -3.548 1.00 0.00 O ATOM 1233 CB LYS A 82 16.573 8.114 -3.442 1.00 0.00 C ATOM 1234 CG LYS A 82 17.255 6.764 -3.206 1.00 0.00 C ATOM 1235 CD LYS A 82 18.071 6.781 -1.912 1.00 0.00 C ATOM 1236 CE LYS A 82 18.390 5.359 -1.447 1.00 0.00 C ATOM 1237 NZ LYS A 82 17.157 4.668 -1.009 1.00 0.00 N ATOM 0 H LYS A 82 14.781 6.948 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 82 14.646 8.896 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.841 8.493 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.933 8.840 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.503 5.977 -3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.906 6.529 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.998 7.333 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.516 7.306 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.858 4.801 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.107 5.391 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.404 3.897 -0.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.533 5.345 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.666 4.276 -1.838 1.00 0.00 H new ATOM 1251 N GLU A 83 14.406 6.998 -5.435 1.00 0.00 N ATOM 1252 CA GLU A 83 13.880 5.966 -6.312 1.00 0.00 C ATOM 1253 C GLU A 83 12.420 5.667 -5.964 1.00 0.00 C ATOM 1254 O GLU A 83 12.049 5.647 -4.791 1.00 0.00 O ATOM 1255 CB GLU A 83 14.731 4.697 -6.238 1.00 0.00 C ATOM 1256 CG GLU A 83 15.888 4.754 -7.237 1.00 0.00 C ATOM 1257 CD GLU A 83 17.107 3.994 -6.709 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.009 2.751 -6.627 1.00 0.00 O ATOM 1259 OE2 GLU A 83 18.109 4.674 -6.400 1.00 0.00 O ATOM 0 H GLU A 83 14.705 7.850 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 83 13.922 6.333 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.123 4.576 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.110 3.826 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.573 4.326 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.157 5.793 -7.428 1.00 0.00 H new ATOM 1266 N ASP A 84 11.631 5.443 -7.004 1.00 0.00 N ATOM 1267 CA ASP A 84 10.220 5.147 -6.823 1.00 0.00 C ATOM 1268 C ASP A 84 10.070 3.980 -5.845 1.00 0.00 C ATOM 1269 O ASP A 84 11.051 3.323 -5.502 1.00 0.00 O ATOM 1270 CB ASP A 84 9.568 4.742 -8.147 1.00 0.00 C ATOM 1271 CG ASP A 84 8.936 5.891 -8.935 1.00 0.00 C ATOM 1272 OD1 ASP A 84 7.795 6.260 -8.583 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.608 6.373 -9.872 1.00 0.00 O ATOM 0 H ASP A 84 11.942 5.460 -7.975 1.00 0.00 H new ATOM 0 HA ASP A 84 9.733 6.044 -6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.320 4.263 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.800 3.996 -7.943 1.00 0.00 H new ATOM 1278 N TYR A 85 8.833 3.758 -5.425 1.00 0.00 N ATOM 1279 CA TYR A 85 8.542 2.682 -4.493 1.00 0.00 C ATOM 1280 C TYR A 85 7.527 1.702 -5.087 1.00 0.00 C ATOM 1281 O TYR A 85 6.419 2.095 -5.449 1.00 0.00 O ATOM 1282 CB TYR A 85 7.929 3.347 -3.259 1.00 0.00 C ATOM 1283 CG TYR A 85 8.491 2.833 -1.932 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.845 2.604 -1.799 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.644 2.599 -0.868 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.375 2.120 -0.550 1.00 0.00 C ATOM 1287 CE2 TYR A 85 8.173 2.116 0.381 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.512 1.900 0.479 1.00 0.00 C ATOM 1289 OH TYR A 85 10.012 1.444 1.658 1.00 0.00 O ATOM 0 H TYR A 85 8.021 4.305 -5.713 1.00 0.00 H new ATOM 0 HA TYR A 85 9.447 2.121 -4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.093 4.423 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.851 3.188 -3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.508 2.788 -2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.584 2.778 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.433 1.936 -0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.521 1.929 1.221 1.00 0.00 H new ATOM 0 HH TYR A 85 9.282 1.334 2.302 1.00 0.00 H new ATOM 1299 N ILE A 86 7.942 0.447 -5.168 1.00 0.00 N ATOM 1300 CA ILE A 86 7.083 -0.592 -5.711 1.00 0.00 C ATOM 1301 C ILE A 86 6.455 -1.382 -4.561 1.00 0.00 C ATOM 1302 O ILE A 86 7.151 -2.095 -3.840 1.00 0.00 O ATOM 1303 CB ILE A 86 7.856 -1.461 -6.704 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.960 -0.657 -7.394 1.00 0.00 C ATOM 1305 CG2 ILE A 86 6.910 -2.117 -7.712 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.392 0.605 -8.047 1.00 0.00 C ATOM 0 H ILE A 86 8.862 0.126 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 86 6.264 -0.151 -6.279 1.00 0.00 H new ATOM 0 HB ILE A 86 8.341 -2.263 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.724 -0.382 -6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.447 -1.274 -8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.486 -2.729 -8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.193 -2.745 -7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.376 -1.345 -8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.197 1.158 -8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.646 0.325 -8.791 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.928 1.231 -7.285 1.00 0.00 H new ATOM 1318 N ILE A 87 5.146 -1.228 -4.425 1.00 0.00 N ATOM 1319 CA ILE A 87 4.416 -1.918 -3.375 1.00 0.00 C ATOM 1320 C ILE A 87 3.554 -3.018 -3.998 1.00 0.00 C ATOM 1321 O ILE A 87 2.925 -2.807 -5.034 1.00 0.00 O ATOM 1322 CB ILE A 87 3.624 -0.920 -2.528 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.378 0.405 -2.394 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.269 -1.518 -1.166 1.00 0.00 C ATOM 1325 CD1 ILE A 87 4.049 1.090 -1.066 1.00 0.00 C ATOM 0 H ILE A 87 4.572 -0.635 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 87 5.107 -2.405 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 87 2.686 -0.706 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.451 0.225 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.115 1.063 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.706 -0.788 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.664 -2.413 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.184 -1.779 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.597 2.029 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.979 1.290 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.336 0.439 -0.240 1.00 0.00 H new ATOM 1337 N GLU A 88 3.551 -4.167 -3.339 1.00 0.00 N ATOM 1338 CA GLU A 88 2.775 -5.300 -3.815 1.00 0.00 C ATOM 1339 C GLU A 88 1.977 -5.918 -2.665 1.00 0.00 C ATOM 1340 O GLU A 88 2.539 -6.242 -1.619 1.00 0.00 O ATOM 1341 CB GLU A 88 3.678 -6.343 -4.478 1.00 0.00 C ATOM 1342 CG GLU A 88 3.764 -6.112 -5.988 1.00 0.00 C ATOM 1343 CD GLU A 88 3.519 -7.413 -6.756 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.223 -8.398 -6.443 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.634 -7.393 -7.638 1.00 0.00 O ATOM 0 H GLU A 88 4.073 -4.338 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 88 2.073 -4.943 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.676 -6.296 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.291 -7.343 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.029 -5.365 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.746 -5.714 -6.243 1.00 0.00 H new ATOM 1352 N VAL A 89 0.681 -6.062 -2.896 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.200 -6.635 -1.893 1.00 0.00 C ATOM 1354 C VAL A 89 -0.608 -8.045 -2.324 1.00 0.00 C ATOM 1355 O VAL A 89 -0.841 -8.294 -3.506 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.397 -5.711 -1.658 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.378 -6.328 -0.659 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -0.939 -4.327 -1.194 1.00 0.00 C ATOM 0 H VAL A 89 0.219 -5.791 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 89 0.317 -6.724 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.918 -5.590 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.219 -5.651 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.742 -7.279 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.872 -6.494 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.809 -3.690 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.383 -4.422 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.298 -3.882 -1.955 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.683 -8.931 -1.342 1.00 0.00 N ATOM 1369 CA LYS A 90 -1.059 -10.310 -1.604 1.00 0.00 C ATOM 1370 C LYS A 90 -1.679 -10.914 -0.343 1.00 0.00 C ATOM 1371 O LYS A 90 -1.090 -10.849 0.735 1.00 0.00 O ATOM 1372 CB LYS A 90 0.138 -11.099 -2.140 1.00 0.00 C ATOM 1373 CG LYS A 90 1.352 -10.945 -1.222 1.00 0.00 C ATOM 1374 CD LYS A 90 2.034 -12.294 -0.985 1.00 0.00 C ATOM 1375 CE LYS A 90 3.310 -12.417 -1.820 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.073 -13.270 -3.006 1.00 0.00 N ATOM 0 H LYS A 90 -0.490 -8.721 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.818 -10.356 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.126 -12.153 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.389 -10.750 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.062 -10.247 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.040 -10.519 -0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.275 -12.403 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.349 -13.102 -1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.641 -11.428 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.109 -12.842 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.740 -13.009 -3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.214 -14.268 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.099 -13.133 -3.343 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.860 -11.488 -0.519 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.566 -12.104 0.591 1.00 0.00 C ATOM 1392 C ALA A 91 -2.803 -13.348 1.048 1.00 0.00 C ATOM 1393 O ALA A 91 -2.083 -13.963 0.263 1.00 0.00 O ATOM 1394 CB ALA A 91 -5.002 -12.422 0.170 1.00 0.00 C ATOM 0 H ALA A 91 -3.346 -11.539 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.619 -11.420 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.532 -12.884 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.510 -11.501 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.989 -13.108 -0.677 1.00 0.00 H new ATOM 1400 N THR A 92 -2.986 -13.683 2.317 1.00 0.00 N ATOM 1401 CA THR A 92 -2.324 -14.844 2.888 1.00 0.00 C ATOM 1402 C THR A 92 -3.347 -15.931 3.223 1.00 0.00 C ATOM 1403 O THR A 92 -4.439 -15.633 3.705 1.00 0.00 O ATOM 1404 CB THR A 92 -1.514 -14.377 4.099 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.490 -13.825 4.978 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.598 -13.197 3.772 1.00 0.00 C ATOM 0 H THR A 92 -3.583 -13.171 2.966 1.00 0.00 H new ATOM 0 HA THR A 92 -1.637 -15.299 2.174 1.00 0.00 H new ATOM 0 HB THR A 92 -0.916 -15.207 4.476 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.051 -13.499 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.047 -12.906 4.666 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.105 -13.487 2.991 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.198 -12.356 3.426 1.00 0.00 H new ATOM 1414 N THR A 93 -2.957 -17.168 2.955 1.00 0.00 N ATOM 1415 CA THR A 93 -3.827 -18.301 3.222 1.00 0.00 C ATOM 1416 C THR A 93 -3.065 -19.393 3.976 1.00 0.00 C ATOM 1417 O THR A 93 -1.842 -19.329 4.099 1.00 0.00 O ATOM 1418 CB THR A 93 -4.408 -18.776 1.889 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.316 -18.675 0.979 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.452 -17.809 1.327 1.00 0.00 C ATOM 0 H THR A 93 -2.050 -17.411 2.556 1.00 0.00 H new ATOM 0 HA THR A 93 -4.655 -18.019 3.872 1.00 0.00 H new ATOM 0 HB THR A 93 -4.858 -19.760 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.483 -18.903 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.832 -18.194 0.381 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.275 -17.710 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.994 -16.833 1.164 1.00 0.00 H new ATOM 1428 N ASP A 94 -3.818 -20.369 4.461 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.229 -21.472 5.200 1.00 0.00 C ATOM 1430 C ASP A 94 -2.391 -22.328 4.248 1.00 0.00 C ATOM 1431 O ASP A 94 -1.561 -23.122 4.688 1.00 0.00 O ATOM 1432 CB ASP A 94 -4.310 -22.366 5.810 1.00 0.00 C ATOM 1433 CG ASP A 94 -4.559 -22.151 7.305 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.213 -21.050 7.785 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -5.088 -23.093 7.933 1.00 0.00 O ATOM 0 H ASP A 94 -4.831 -20.419 4.356 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.614 -21.053 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.244 -22.199 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.032 -23.408 5.649 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.637 -22.137 2.960 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.915 -22.881 1.941 1.00 0.00 C ATOM 1442 C GLY A 95 -0.596 -22.190 1.589 1.00 0.00 C ATOM 1443 O GLY A 95 0.415 -22.854 1.363 1.00 0.00 O ATOM 0 H GLY A 95 -3.326 -21.478 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.716 -23.892 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.532 -22.972 1.047 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.649 -20.867 1.554 1.00 0.00 N ATOM 1448 CA GLY A 96 0.529 -20.079 1.233 1.00 0.00 C ATOM 1449 C GLY A 96 0.139 -18.738 0.609 1.00 0.00 C ATOM 1450 O GLY A 96 -1.027 -18.517 0.284 1.00 0.00 O ATOM 0 H GLY A 96 -1.489 -20.320 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.113 -19.907 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.165 -20.634 0.543 1.00 0.00 H new ATOM 1454 N ASP A 97 1.136 -17.879 0.459 1.00 0.00 N ATOM 1455 CA ASP A 97 0.911 -16.565 -0.120 1.00 0.00 C ATOM 1456 C ASP A 97 -0.044 -16.694 -1.309 1.00 0.00 C ATOM 1457 O ASP A 97 -0.093 -17.736 -1.961 1.00 0.00 O ATOM 1458 CB ASP A 97 2.219 -15.957 -0.629 1.00 0.00 C ATOM 1459 CG ASP A 97 3.013 -16.842 -1.593 1.00 0.00 C ATOM 1460 OD1 ASP A 97 2.597 -16.915 -2.769 1.00 0.00 O ATOM 1461 OD2 ASP A 97 4.017 -17.426 -1.131 1.00 0.00 O ATOM 0 H ASP A 97 2.102 -18.067 0.728 1.00 0.00 H new ATOM 0 HA ASP A 97 0.491 -15.922 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.994 -15.014 -1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.850 -15.722 0.228 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.780 -15.620 -1.554 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.731 -15.600 -2.652 1.00 0.00 C ATOM 1468 C GLY A 98 -1.126 -14.932 -3.889 1.00 0.00 C ATOM 1469 O GLY A 98 -0.005 -15.248 -4.283 1.00 0.00 O ATOM 0 H GLY A 98 -0.737 -14.758 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.033 -16.619 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.631 -15.065 -2.349 1.00 0.00 H new ATOM 1473 N THR A 99 -1.896 -14.022 -4.467 1.00 0.00 N ATOM 1474 CA THR A 99 -1.450 -13.308 -5.651 1.00 0.00 C ATOM 1475 C THR A 99 -0.971 -11.903 -5.278 1.00 0.00 C ATOM 1476 O THR A 99 -1.402 -11.344 -4.270 1.00 0.00 O ATOM 1477 CB THR A 99 -2.597 -13.309 -6.664 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.085 -14.648 -6.635 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.108 -13.123 -8.102 1.00 0.00 C ATOM 0 H THR A 99 -2.826 -13.763 -4.137 1.00 0.00 H new ATOM 0 HA THR A 99 -0.592 -13.800 -6.109 1.00 0.00 H new ATOM 0 HB THR A 99 -3.302 -12.516 -6.414 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.289 -14.942 -7.547 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.961 -13.131 -8.780 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.585 -12.171 -8.188 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.429 -13.935 -8.363 1.00 0.00 H new ATOM 1487 N SER A 100 -0.087 -11.374 -6.111 1.00 0.00 N ATOM 1488 CA SER A 100 0.455 -10.045 -5.881 1.00 0.00 C ATOM 1489 C SER A 100 -0.251 -9.029 -6.781 1.00 0.00 C ATOM 1490 O SER A 100 -0.064 -9.035 -7.996 1.00 0.00 O ATOM 1491 CB SER A 100 1.964 -10.016 -6.129 1.00 0.00 C ATOM 1492 OG SER A 100 2.275 -9.793 -7.502 1.00 0.00 O ATOM 0 H SER A 100 0.267 -11.841 -6.946 1.00 0.00 H new ATOM 0 HA SER A 100 0.280 -9.780 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.416 -9.231 -5.523 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.403 -10.960 -5.807 1.00 0.00 H new ATOM 0 HG SER A 100 1.891 -8.939 -7.790 1.00 0.00 H new ATOM 1498 N SER A 101 -1.048 -8.180 -6.149 1.00 0.00 N ATOM 1499 CA SER A 101 -1.783 -7.160 -6.877 1.00 0.00 C ATOM 1500 C SER A 101 -0.825 -6.348 -7.750 1.00 0.00 C ATOM 1501 O SER A 101 0.382 -6.587 -7.743 1.00 0.00 O ATOM 1502 CB SER A 101 -2.540 -6.238 -5.919 1.00 0.00 C ATOM 1503 OG SER A 101 -1.729 -5.822 -4.824 1.00 0.00 O ATOM 0 H SER A 101 -1.201 -8.178 -5.141 1.00 0.00 H new ATOM 0 HA SER A 101 -2.515 -7.655 -7.516 1.00 0.00 H new ATOM 0 HB2 SER A 101 -2.892 -5.361 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.422 -6.754 -5.541 1.00 0.00 H new ATOM 0 HG SER A 101 -1.521 -6.595 -4.259 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.398 -5.403 -8.481 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.609 -4.554 -9.358 1.00 0.00 C ATOM 1511 C GLU A 102 0.347 -3.687 -8.537 1.00 0.00 C ATOM 1512 O GLU A 102 -0.086 -2.918 -7.680 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.512 -3.690 -10.241 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.763 -4.362 -11.592 1.00 0.00 C ATOM 1515 CD GLU A 102 -3.044 -3.831 -12.239 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -4.120 -4.075 -11.651 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -2.918 -3.193 -13.306 1.00 0.00 O ATOM 0 H GLU A 102 -2.399 -5.206 -8.484 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.017 -5.192 -10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.462 -3.516 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.050 -2.715 -10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.916 -4.183 -12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.840 -5.441 -11.457 1.00 0.00 H new ATOM 1524 N GLN A 103 1.631 -3.839 -8.828 1.00 0.00 N ATOM 1525 CA GLN A 103 2.653 -3.080 -8.128 1.00 0.00 C ATOM 1526 C GLN A 103 2.279 -1.597 -8.090 1.00 0.00 C ATOM 1527 O GLN A 103 1.825 -1.042 -9.089 1.00 0.00 O ATOM 1528 CB GLN A 103 4.025 -3.283 -8.773 1.00 0.00 C ATOM 1529 CG GLN A 103 4.274 -2.248 -9.871 1.00 0.00 C ATOM 1530 CD GLN A 103 5.537 -2.584 -10.666 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.016 -3.706 -10.674 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.047 -1.553 -11.334 1.00 0.00 N ATOM 0 H GLN A 103 1.987 -4.477 -9.540 1.00 0.00 H new ATOM 0 HA GLN A 103 2.712 -3.446 -7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.803 -3.206 -8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.088 -4.287 -9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.416 -2.212 -10.543 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.373 -1.258 -9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.596 -0.640 -11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.889 -1.676 -11.896 1.00 0.00 H new ATOM 1541 N ILE A 104 2.484 -0.997 -6.926 1.00 0.00 N ATOM 1542 CA ILE A 104 2.175 0.411 -6.745 1.00 0.00 C ATOM 1543 C ILE A 104 3.390 1.251 -7.141 1.00 0.00 C ATOM 1544 O ILE A 104 4.511 0.746 -7.186 1.00 0.00 O ATOM 1545 CB ILE A 104 1.685 0.672 -5.320 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.743 -0.439 -4.851 1.00 0.00 C ATOM 1547 CG2 ILE A 104 1.041 2.055 -5.206 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.295 0.102 -3.865 1.00 0.00 C ATOM 0 H ILE A 104 2.860 -1.461 -6.099 1.00 0.00 H new ATOM 0 HA ILE A 104 1.355 0.708 -7.399 1.00 0.00 H new ATOM 0 HB ILE A 104 2.549 0.663 -4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.238 -0.880 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.320 -1.234 -4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.701 2.215 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.772 2.820 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.190 2.117 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.952 -0.708 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.212 0.520 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.886 0.880 -4.349 1.00 0.00 H new ATOM 1560 N ARG A 105 3.128 2.520 -7.419 1.00 0.00 N ATOM 1561 CA ARG A 105 4.186 3.435 -7.810 1.00 0.00 C ATOM 1562 C ARG A 105 4.147 4.694 -6.942 1.00 0.00 C ATOM 1563 O ARG A 105 3.313 5.573 -7.154 1.00 0.00 O ATOM 1564 CB ARG A 105 4.054 3.834 -9.281 1.00 0.00 C ATOM 1565 CG ARG A 105 5.430 3.997 -9.930 1.00 0.00 C ATOM 1566 CD ARG A 105 5.358 3.747 -11.438 1.00 0.00 C ATOM 1567 NE ARG A 105 6.598 4.223 -12.090 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.746 4.359 -13.415 1.00 0.00 C ATOM 1569 NH1 ARG A 105 5.732 4.057 -14.237 1.00 0.00 N ATOM 1570 NH2 ARG A 105 7.908 4.798 -13.918 1.00 0.00 N ATOM 0 H ARG A 105 2.197 2.936 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 105 5.137 2.921 -7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.482 3.076 -9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.498 4.768 -9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.808 5.002 -9.742 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.135 3.301 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.220 2.683 -11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.495 4.262 -11.860 1.00 0.00 H new ATOM 0 HE ARG A 105 7.390 4.463 -11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.847 3.724 -13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.845 4.161 -15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.680 5.029 -13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.021 4.901 -14.926 1.00 0.00 H new ATOM 1584 N ILE A 106 5.059 4.741 -5.982 1.00 0.00 N ATOM 1585 CA ILE A 106 5.139 5.878 -5.081 1.00 0.00 C ATOM 1586 C ILE A 106 6.511 6.541 -5.223 1.00 0.00 C ATOM 1587 O ILE A 106 7.487 6.088 -4.628 1.00 0.00 O ATOM 1588 CB ILE A 106 4.807 5.452 -3.649 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.343 5.026 -3.529 1.00 0.00 C ATOM 1590 CG2 ILE A 106 5.167 6.555 -2.651 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.139 4.092 -2.334 1.00 0.00 C ATOM 0 H ILE A 106 5.749 4.010 -5.809 1.00 0.00 H new ATOM 0 HA ILE A 106 4.393 6.627 -5.347 1.00 0.00 H new ATOM 0 HB ILE A 106 5.416 4.583 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.712 5.908 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.030 4.524 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.921 6.226 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.234 6.768 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.603 7.457 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.089 3.804 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.753 3.200 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.429 4.605 -1.417 1.00 0.00 H new ATOM 1603 N PRO A 107 6.541 7.631 -6.036 1.00 0.00 N ATOM 1604 CA PRO A 107 7.777 8.360 -6.264 1.00 0.00 C ATOM 1605 C PRO A 107 8.142 9.214 -5.048 1.00 0.00 C ATOM 1606 O PRO A 107 7.441 9.194 -4.038 1.00 0.00 O ATOM 1607 CB PRO A 107 7.522 9.185 -7.515 1.00 0.00 C ATOM 1608 CG PRO A 107 6.012 9.245 -7.674 1.00 0.00 C ATOM 1609 CD PRO A 107 5.405 8.195 -6.758 1.00 0.00 C ATOM 0 HA PRO A 107 8.634 7.702 -6.405 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.944 10.185 -7.416 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.989 8.727 -8.387 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.640 10.237 -7.417 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.729 9.057 -8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.681 8.637 -6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.878 7.429 -7.328 1.00 0.00 H new ATOM 1617 N ARG A 108 9.239 9.945 -5.186 1.00 0.00 N ATOM 1618 CA ARG A 108 9.705 10.804 -4.111 1.00 0.00 C ATOM 1619 C ARG A 108 8.608 11.791 -3.706 1.00 0.00 C ATOM 1620 O ARG A 108 7.924 12.349 -4.562 1.00 0.00 O ATOM 1621 CB ARG A 108 10.953 11.584 -4.532 1.00 0.00 C ATOM 1622 CG ARG A 108 12.217 10.747 -4.329 1.00 0.00 C ATOM 1623 CD ARG A 108 12.830 10.345 -5.672 1.00 0.00 C ATOM 1624 NE ARG A 108 13.163 11.554 -6.458 1.00 0.00 N ATOM 1625 CZ ARG A 108 14.194 12.366 -6.186 1.00 0.00 C ATOM 1626 NH1 ARG A 108 14.999 12.103 -5.147 1.00 0.00 N ATOM 1627 NH2 ARG A 108 14.421 13.441 -6.954 1.00 0.00 N ATOM 0 H ARG A 108 9.818 9.960 -6.026 1.00 0.00 H new ATOM 0 HA ARG A 108 9.956 10.167 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.869 11.874 -5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.024 12.504 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.944 11.315 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.977 9.853 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.728 9.749 -5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.131 9.721 -6.228 1.00 0.00 H new ATOM 0 HE ARG A 108 12.571 11.784 -7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.827 11.285 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.784 12.721 -4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.809 13.641 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.206 14.059 -6.747 1.00 0.00 H new ATOM 1641 N ILE A 109 8.474 11.975 -2.401 1.00 0.00 N ATOM 1642 CA ILE A 109 7.471 12.884 -1.872 1.00 0.00 C ATOM 1643 C ILE A 109 7.831 14.318 -2.267 1.00 0.00 C ATOM 1644 O ILE A 109 9.007 14.676 -2.315 1.00 0.00 O ATOM 1645 CB ILE A 109 7.309 12.683 -0.364 1.00 0.00 C ATOM 1646 CG1 ILE A 109 6.157 11.723 -0.060 1.00 0.00 C ATOM 1647 CG2 ILE A 109 7.141 14.025 0.352 1.00 0.00 C ATOM 1648 CD1 ILE A 109 4.816 12.460 -0.051 1.00 0.00 C ATOM 0 H ILE A 109 9.043 11.510 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 109 6.494 12.669 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 109 8.220 12.224 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.134 10.929 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.321 11.247 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 109 7.028 13.855 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 109 8.020 14.645 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.256 14.533 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.014 11.754 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 109 4.833 13.237 0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.644 12.914 -1.027 1.00 0.00 H new ATOM 1660 N THR A 110 6.796 15.099 -2.539 1.00 0.00 N ATOM 1661 CA THR A 110 6.988 16.486 -2.928 1.00 0.00 C ATOM 1662 C THR A 110 7.674 17.265 -1.804 1.00 0.00 C ATOM 1663 O THR A 110 7.356 17.079 -0.631 1.00 0.00 O ATOM 1664 CB THR A 110 5.625 17.060 -3.321 1.00 0.00 C ATOM 1665 OG1 THR A 110 4.800 16.803 -2.188 1.00 0.00 O ATOM 1666 CG2 THR A 110 4.962 16.271 -4.452 1.00 0.00 C ATOM 0 H THR A 110 5.822 14.798 -2.498 1.00 0.00 H new ATOM 0 HA THR A 110 7.651 16.567 -3.789 1.00 0.00 H new ATOM 0 HB THR A 110 5.743 18.100 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.897 17.145 -2.357 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.998 16.720 -4.692 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.602 16.292 -5.334 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.813 15.238 -4.136 1.00 0.00 H new ATOM 1674 N SER A 111 8.603 18.122 -2.202 1.00 0.00 N ATOM 1675 CA SER A 111 9.337 18.930 -1.243 1.00 0.00 C ATOM 1676 C SER A 111 10.082 20.053 -1.967 1.00 0.00 C ATOM 1677 O SER A 111 11.303 20.000 -2.111 1.00 0.00 O ATOM 1678 CB SER A 111 10.317 18.075 -0.438 1.00 0.00 C ATOM 1679 OG SER A 111 11.335 17.511 -1.261 1.00 0.00 O ATOM 0 H SER A 111 8.864 18.274 -3.176 1.00 0.00 H new ATOM 0 HA SER A 111 8.622 19.367 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.776 18.685 0.340 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.773 17.275 0.064 1.00 0.00 H new ATOM 0 HG SER A 111 11.677 18.195 -1.873 1.00 0.00 H new ATOM 1685 N SER A 112 9.317 21.043 -2.403 1.00 0.00 N ATOM 1686 CA SER A 112 9.890 22.177 -3.108 1.00 0.00 C ATOM 1687 C SER A 112 10.223 23.295 -2.118 1.00 0.00 C ATOM 1688 O SER A 112 11.315 23.859 -2.159 1.00 0.00 O ATOM 1689 CB SER A 112 8.938 22.691 -4.190 1.00 0.00 C ATOM 1690 OG SER A 112 9.580 22.805 -5.457 1.00 0.00 O ATOM 0 H SER A 112 8.305 21.083 -2.282 1.00 0.00 H new ATOM 0 HA SER A 112 10.807 21.848 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 112 8.087 22.015 -4.275 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.545 23.664 -3.894 1.00 0.00 H new ATOM 0 HG SER A 112 8.938 23.134 -6.120 1.00 0.00 H new ATOM 1696 N GLY A 113 9.262 23.581 -1.253 1.00 0.00 N ATOM 1697 CA GLY A 113 9.439 24.621 -0.254 1.00 0.00 C ATOM 1698 C GLY A 113 8.761 24.238 1.063 1.00 0.00 C ATOM 1699 O GLY A 113 7.717 24.787 1.410 1.00 0.00 O ATOM 0 H GLY A 113 8.358 23.110 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.502 24.790 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.022 25.559 -0.622 1.00 0.00 H new ATOM 1703 N PRO A 114 9.401 23.275 1.779 1.00 0.00 N ATOM 1704 CA PRO A 114 8.871 22.812 3.050 1.00 0.00 C ATOM 1705 C PRO A 114 9.116 23.842 4.154 1.00 0.00 C ATOM 1706 O PRO A 114 8.243 24.085 4.986 1.00 0.00 O ATOM 1707 CB PRO A 114 9.570 21.487 3.309 1.00 0.00 C ATOM 1708 CG PRO A 114 10.798 21.482 2.413 1.00 0.00 C ATOM 1709 CD PRO A 114 10.640 22.603 1.398 1.00 0.00 C ATOM 0 HA PRO A 114 7.789 22.680 3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 114 9.851 21.392 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.914 20.648 3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 114 11.702 21.627 3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 114 10.898 20.521 1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 114 11.488 23.288 1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.583 22.212 0.382 1.00 0.00 H new ATOM 1717 N SER A 115 10.307 24.421 4.126 1.00 0.00 N ATOM 1718 CA SER A 115 10.678 25.420 5.114 1.00 0.00 C ATOM 1719 C SER A 115 10.406 24.889 6.522 1.00 0.00 C ATOM 1720 O SER A 115 9.322 25.093 7.068 1.00 0.00 O ATOM 1721 CB SER A 115 9.920 26.729 4.884 1.00 0.00 C ATOM 1722 OG SER A 115 10.300 27.737 5.817 1.00 0.00 O ATOM 0 H SER A 115 11.028 24.217 3.434 1.00 0.00 H new ATOM 0 HA SER A 115 11.743 25.626 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.108 27.084 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 115 8.848 26.546 4.964 1.00 0.00 H new ATOM 0 HG SER A 115 9.795 28.557 5.636 1.00 0.00 H new ATOM 1728 N SER A 116 11.408 24.218 7.071 1.00 0.00 N ATOM 1729 CA SER A 116 11.290 23.657 8.406 1.00 0.00 C ATOM 1730 C SER A 116 12.657 23.169 8.891 1.00 0.00 C ATOM 1731 O SER A 116 13.037 22.027 8.640 1.00 0.00 O ATOM 1732 CB SER A 116 10.277 22.510 8.434 1.00 0.00 C ATOM 1733 OG SER A 116 10.261 21.842 9.693 1.00 0.00 O ATOM 0 H SER A 116 12.305 24.050 6.616 1.00 0.00 H new ATOM 0 HA SER A 116 10.932 24.439 9.075 1.00 0.00 H new ATOM 0 HB2 SER A 116 9.282 22.900 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.517 21.795 7.647 1.00 0.00 H new ATOM 0 HG SER A 116 9.601 21.118 9.671 1.00 0.00 H new ATOM 1739 N GLY A 117 13.357 24.060 9.578 1.00 0.00 N ATOM 1740 CA GLY A 117 14.674 23.735 10.101 1.00 0.00 C ATOM 1741 C GLY A 117 14.634 22.446 10.923 1.00 0.00 C ATOM 1742 O GLY A 117 13.609 22.115 11.517 1.00 0.00 O ATOM 0 H GLY A 117 13.037 25.006 9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.379 23.624 9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 117 15.036 24.555 10.721 1.00 0.00 H new TER 1746 GLY A 117