USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=34 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 57 TYR OH : rot 150:sc= 0.0175 USER MOD Set 1.2: A 66 GLN : amide:sc= -0.204 K(o=-0.19,f=-1.3!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.111 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -30:sc= 0.936 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.49) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) 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 X(o=0,f=-0.28) USER MOD Single : A 24 ASN : amide:sc= 0.656 K(o=0.66,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.34 K(o=-1.3,f=-2) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -4.9! C(o=-4.9!,f=-4.1!) USER MOD Single : A 40 GLN : amide:sc= -0.0491 K(o=-0.049,f=-1.5!) 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 K(o=0,f=-0.56) USER MOD Single : A 48 SER OG : rot 180:sc= -1.32 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -25:sc= -1.03 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 18:sc= 0.183 USER MOD Single : A 62 GLN : amide:sc=-0.00256 X(o=-0.0026,f=-0.041) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 64 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.39) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 163:sc= 0.0741 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 61:sc= 0.114 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -108:sc= -1.28! USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= -0.121 (180deg=-0.251) USER MOD Single : A 92 THR OG1 : rot -175:sc= -2.45! USER MOD Single : A 93 THR OG1 : rot 120:sc= -1.31 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 176:sc= -1.2 USER MOD Single : A 101 SER OG : rot 90:sc= -1.01 USER MOD Single : A 103 GLN : amide:sc= -0.927 X(o=-0.93,f=-1.2) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 70:sc= 0.477 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 -6.815 -55.032 -15.030 1.00 0.00 N ATOM 2 CA GLY A 1 -7.945 -54.471 -15.751 1.00 0.00 C ATOM 3 C GLY A 1 -7.484 -53.412 -16.755 1.00 0.00 C ATOM 4 O GLY A 1 -6.286 -53.237 -16.972 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.758 -56.054 -15.215 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.938 -54.573 -15.348 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.940 -54.872 -14.010 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.478 -55.265 -16.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.647 -54.027 -15.045 1.00 0.00 H new ATOM 8 N SER A 2 -8.460 -52.734 -17.340 1.00 0.00 N ATOM 9 CA SER A 2 -8.170 -51.697 -18.316 1.00 0.00 C ATOM 10 C SER A 2 -9.009 -50.452 -18.021 1.00 0.00 C ATOM 11 O SER A 2 -9.934 -50.499 -17.212 1.00 0.00 O ATOM 12 CB SER A 2 -8.435 -52.191 -19.739 1.00 0.00 C ATOM 13 OG SER A 2 -7.812 -53.447 -19.994 1.00 0.00 O ATOM 0 H SER A 2 -9.452 -52.882 -17.157 1.00 0.00 H new ATOM 0 HA SER A 2 -7.113 -51.441 -18.240 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.510 -52.281 -19.897 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.069 -51.453 -20.453 1.00 0.00 H new ATOM 0 HG SER A 2 -8.007 -53.728 -20.912 1.00 0.00 H new ATOM 19 N SER A 3 -8.655 -49.366 -18.694 1.00 0.00 N ATOM 20 CA SER A 3 -9.363 -48.111 -18.514 1.00 0.00 C ATOM 21 C SER A 3 -9.946 -47.643 -19.849 1.00 0.00 C ATOM 22 O SER A 3 -9.624 -48.197 -20.899 1.00 0.00 O ATOM 23 CB SER A 3 -8.442 -47.037 -17.932 1.00 0.00 C ATOM 24 OG SER A 3 -9.157 -45.859 -17.569 1.00 0.00 O ATOM 0 H SER A 3 -7.887 -49.330 -19.364 1.00 0.00 H new ATOM 0 HA SER A 3 -10.176 -48.276 -17.807 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.930 -47.435 -17.056 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.674 -46.784 -18.662 1.00 0.00 H new ATOM 0 HG SER A 3 -8.534 -45.199 -17.200 1.00 0.00 H new ATOM 30 N GLY A 4 -10.795 -46.629 -19.765 1.00 0.00 N ATOM 31 CA GLY A 4 -11.426 -46.081 -20.954 1.00 0.00 C ATOM 32 C GLY A 4 -12.891 -45.731 -20.685 1.00 0.00 C ATOM 33 O GLY A 4 -13.794 -46.409 -21.173 1.00 0.00 O ATOM 0 H GLY A 4 -11.061 -46.173 -18.892 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.889 -45.189 -21.277 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.364 -46.803 -21.768 1.00 0.00 H new ATOM 37 N SER A 5 -13.081 -44.674 -19.909 1.00 0.00 N ATOM 38 CA SER A 5 -14.421 -44.227 -19.570 1.00 0.00 C ATOM 39 C SER A 5 -14.389 -42.761 -19.133 1.00 0.00 C ATOM 40 O SER A 5 -13.388 -42.073 -19.330 1.00 0.00 O ATOM 41 CB SER A 5 -15.030 -45.096 -18.468 1.00 0.00 C ATOM 42 OG SER A 5 -14.448 -44.828 -17.195 1.00 0.00 O ATOM 0 H SER A 5 -12.330 -44.115 -19.506 1.00 0.00 H new ATOM 0 HA SER A 5 -15.047 -44.322 -20.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.105 -44.920 -18.420 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.890 -46.148 -18.717 1.00 0.00 H new ATOM 0 HG SER A 5 -14.864 -45.401 -16.518 1.00 0.00 H new ATOM 48 N SER A 6 -15.495 -42.326 -18.547 1.00 0.00 N ATOM 49 CA SER A 6 -15.605 -40.955 -18.080 1.00 0.00 C ATOM 50 C SER A 6 -16.347 -40.915 -16.743 1.00 0.00 C ATOM 51 O SER A 6 -17.559 -41.122 -16.695 1.00 0.00 O ATOM 52 CB SER A 6 -16.321 -40.078 -19.110 1.00 0.00 C ATOM 53 OG SER A 6 -17.709 -39.940 -18.821 1.00 0.00 O ATOM 0 H SER A 6 -16.323 -42.899 -18.385 1.00 0.00 H new ATOM 0 HA SER A 6 -14.599 -40.560 -17.942 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.856 -39.093 -19.133 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.199 -40.511 -20.103 1.00 0.00 H new ATOM 0 HG SER A 6 -18.030 -40.747 -18.367 1.00 0.00 H new ATOM 59 N GLY A 7 -15.589 -40.649 -15.689 1.00 0.00 N ATOM 60 CA GLY A 7 -16.160 -40.580 -14.355 1.00 0.00 C ATOM 61 C GLY A 7 -15.682 -39.326 -13.619 1.00 0.00 C ATOM 62 O GLY A 7 -15.607 -38.248 -14.206 1.00 0.00 O ATOM 0 H GLY A 7 -14.584 -40.479 -15.732 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.248 -40.575 -14.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.879 -41.468 -13.789 1.00 0.00 H new ATOM 66 N THR A 8 -15.373 -39.510 -12.344 1.00 0.00 N ATOM 67 CA THR A 8 -14.905 -38.408 -11.521 1.00 0.00 C ATOM 68 C THR A 8 -14.383 -38.927 -10.180 1.00 0.00 C ATOM 69 O THR A 8 -14.824 -39.970 -9.700 1.00 0.00 O ATOM 70 CB THR A 8 -16.050 -37.404 -11.379 1.00 0.00 C ATOM 71 OG1 THR A 8 -15.472 -36.316 -10.662 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.162 -37.909 -10.458 1.00 0.00 C ATOM 0 H THR A 8 -15.438 -40.406 -11.861 1.00 0.00 H new ATOM 0 HA THR A 8 -14.062 -37.898 -11.987 1.00 0.00 H new ATOM 0 HB THR A 8 -16.465 -37.187 -12.363 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.146 -35.618 -10.528 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.949 -37.158 -10.392 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.575 -38.834 -10.860 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.755 -38.095 -9.464 1.00 0.00 H new ATOM 80 N VAL A 9 -13.451 -38.175 -9.612 1.00 0.00 N ATOM 81 CA VAL A 9 -12.864 -38.547 -8.336 1.00 0.00 C ATOM 82 C VAL A 9 -12.995 -37.376 -7.360 1.00 0.00 C ATOM 83 O VAL A 9 -13.491 -36.311 -7.724 1.00 0.00 O ATOM 84 CB VAL A 9 -11.417 -38.999 -8.537 1.00 0.00 C ATOM 85 CG1 VAL A 9 -11.348 -40.234 -9.438 1.00 0.00 C ATOM 86 CG2 VAL A 9 -10.560 -37.862 -9.098 1.00 0.00 C ATOM 0 H VAL A 9 -13.088 -37.310 -10.012 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.397 -39.393 -7.902 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.013 -39.273 -7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.308 -40.534 -9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.908 -41.050 -8.981 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.779 -39.999 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.536 -38.210 -9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.963 -37.543 -10.059 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.570 -37.022 -8.403 1.00 0.00 H new ATOM 96 N ASN A 10 -12.540 -37.612 -6.138 1.00 0.00 N ATOM 97 CA ASN A 10 -12.600 -36.591 -5.106 1.00 0.00 C ATOM 98 C ASN A 10 -11.594 -36.926 -4.003 1.00 0.00 C ATOM 99 O ASN A 10 -11.663 -37.996 -3.400 1.00 0.00 O ATOM 100 CB ASN A 10 -13.991 -36.527 -4.474 1.00 0.00 C ATOM 101 CG ASN A 10 -14.046 -35.465 -3.374 1.00 0.00 C ATOM 102 OD1 ASN A 10 -13.669 -35.693 -2.236 1.00 0.00 O ATOM 103 ND2 ASN A 10 -14.535 -34.295 -3.775 1.00 0.00 N ATOM 0 H ASN A 10 -12.128 -38.496 -5.839 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.370 -35.631 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.732 -36.300 -5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.250 -37.500 -4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.612 -33.521 -3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.833 -34.171 -4.743 1.00 0.00 H new ATOM 110 N VAL A 11 -10.683 -35.993 -3.774 1.00 0.00 N ATOM 111 CA VAL A 11 -9.664 -36.176 -2.754 1.00 0.00 C ATOM 112 C VAL A 11 -9.553 -34.901 -1.915 1.00 0.00 C ATOM 113 O VAL A 11 -9.780 -33.802 -2.417 1.00 0.00 O ATOM 114 CB VAL A 11 -8.340 -36.581 -3.404 1.00 0.00 C ATOM 115 CG1 VAL A 11 -8.480 -37.906 -4.155 1.00 0.00 C ATOM 116 CG2 VAL A 11 -7.823 -35.478 -4.330 1.00 0.00 C ATOM 0 H VAL A 11 -10.629 -35.107 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.941 -36.986 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.607 -36.722 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.524 -38.170 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.781 -38.689 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.235 -37.804 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.881 -35.792 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.555 -35.290 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.665 -34.565 -3.756 1.00 0.00 H new ATOM 126 N THR A 12 -9.204 -35.092 -0.651 1.00 0.00 N ATOM 127 CA THR A 12 -9.060 -33.971 0.263 1.00 0.00 C ATOM 128 C THR A 12 -7.630 -33.902 0.801 1.00 0.00 C ATOM 129 O THR A 12 -7.277 -34.625 1.731 1.00 0.00 O ATOM 130 CB THR A 12 -10.116 -34.117 1.360 1.00 0.00 C ATOM 131 OG1 THR A 12 -9.806 -33.075 2.281 1.00 0.00 O ATOM 132 CG2 THR A 12 -9.940 -35.400 2.175 1.00 0.00 C ATOM 0 H THR A 12 -9.017 -36.006 -0.238 1.00 0.00 H new ATOM 0 HA THR A 12 -9.228 -33.022 -0.246 1.00 0.00 H new ATOM 0 HB THR A 12 -11.109 -34.106 0.911 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.444 -33.095 3.025 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.715 -35.454 2.940 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.020 -36.264 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.960 -35.397 2.651 1.00 0.00 H new ATOM 140 N THR A 13 -6.844 -33.024 0.193 1.00 0.00 N ATOM 141 CA THR A 13 -5.460 -32.851 0.599 1.00 0.00 C ATOM 142 C THR A 13 -5.144 -31.368 0.798 1.00 0.00 C ATOM 143 O THR A 13 -4.726 -30.688 -0.138 1.00 0.00 O ATOM 144 CB THR A 13 -4.572 -33.527 -0.448 1.00 0.00 C ATOM 145 OG1 THR A 13 -4.602 -34.906 -0.091 1.00 0.00 O ATOM 146 CG2 THR A 13 -3.099 -33.137 -0.305 1.00 0.00 C ATOM 0 H THR A 13 -7.140 -32.425 -0.578 1.00 0.00 H new ATOM 0 HA THR A 13 -5.268 -33.324 1.562 1.00 0.00 H new ATOM 0 HB THR A 13 -4.922 -33.264 -1.446 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.053 -35.419 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.512 -33.644 -1.071 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.995 -32.058 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.739 -33.431 0.681 1.00 0.00 H new ATOM 154 N LYS A 14 -5.357 -30.909 2.023 1.00 0.00 N ATOM 155 CA LYS A 14 -5.100 -29.519 2.356 1.00 0.00 C ATOM 156 C LYS A 14 -5.949 -28.618 1.457 1.00 0.00 C ATOM 157 O LYS A 14 -6.762 -29.106 0.674 1.00 0.00 O ATOM 158 CB LYS A 14 -3.601 -29.219 2.287 1.00 0.00 C ATOM 159 CG LYS A 14 -3.171 -28.307 3.438 1.00 0.00 C ATOM 160 CD LYS A 14 -2.109 -27.307 2.978 1.00 0.00 C ATOM 161 CE LYS A 14 -0.735 -27.972 2.879 1.00 0.00 C ATOM 162 NZ LYS A 14 0.019 -27.793 4.140 1.00 0.00 N ATOM 0 H LYS A 14 -5.705 -31.476 2.797 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.396 -29.313 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.038 -30.151 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.365 -28.744 1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.037 -27.771 3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.778 -28.910 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.388 -26.895 2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.063 -26.472 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.853 -29.035 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.175 -27.541 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.949 -28.250 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.148 -26.778 4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.509 -28.225 4.925 1.00 0.00 H new ATOM 176 N LYS A 15 -5.732 -27.319 1.600 1.00 0.00 N ATOM 177 CA LYS A 15 -6.467 -26.345 0.811 1.00 0.00 C ATOM 178 C LYS A 15 -5.487 -25.554 -0.057 1.00 0.00 C ATOM 179 O LYS A 15 -4.309 -25.898 -0.140 1.00 0.00 O ATOM 180 CB LYS A 15 -7.335 -25.468 1.715 1.00 0.00 C ATOM 181 CG LYS A 15 -8.683 -26.135 1.997 1.00 0.00 C ATOM 182 CD LYS A 15 -9.774 -25.089 2.231 1.00 0.00 C ATOM 183 CE LYS A 15 -10.253 -25.112 3.684 1.00 0.00 C ATOM 184 NZ LYS A 15 -11.731 -25.071 3.743 1.00 0.00 N ATOM 0 H LYS A 15 -5.057 -26.918 2.251 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.159 -26.847 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.814 -25.281 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.497 -24.500 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.960 -26.773 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.598 -26.779 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.391 -24.098 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.615 -25.280 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.888 -26.012 4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.838 -24.261 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.039 -25.087 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.073 -24.200 3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.121 -25.897 3.246 1.00 0.00 H new ATOM 198 N THR A 16 -6.009 -24.508 -0.681 1.00 0.00 N ATOM 199 CA THR A 16 -5.195 -23.665 -1.539 1.00 0.00 C ATOM 200 C THR A 16 -5.676 -22.214 -1.473 1.00 0.00 C ATOM 201 O THR A 16 -6.843 -21.956 -1.184 1.00 0.00 O ATOM 202 CB THR A 16 -5.230 -24.254 -2.951 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.572 -24.707 -3.105 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.390 -25.526 -3.076 1.00 0.00 C ATOM 0 H THR A 16 -6.986 -24.225 -0.609 1.00 0.00 H new ATOM 0 HA THR A 16 -4.158 -23.645 -1.205 1.00 0.00 H new ATOM 0 HB THR A 16 -4.871 -23.511 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.684 -25.102 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.450 -25.902 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.352 -25.302 -2.832 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.769 -26.282 -2.388 1.00 0.00 H new ATOM 212 N PRO A 17 -4.728 -21.281 -1.755 1.00 0.00 N ATOM 213 CA PRO A 17 -5.043 -19.863 -1.730 1.00 0.00 C ATOM 214 C PRO A 17 -5.855 -19.460 -2.964 1.00 0.00 C ATOM 215 O PRO A 17 -5.798 -20.130 -3.994 1.00 0.00 O ATOM 216 CB PRO A 17 -3.697 -19.161 -1.650 1.00 0.00 C ATOM 217 CG PRO A 17 -2.667 -20.185 -2.100 1.00 0.00 C ATOM 218 CD PRO A 17 -3.336 -21.550 -2.102 1.00 0.00 C ATOM 0 HA PRO A 17 -5.672 -19.587 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.677 -18.279 -2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.493 -18.822 -0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.295 -19.941 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.808 -20.182 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.257 -22.028 -3.078 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.870 -22.220 -1.380 1.00 0.00 H new ATOM 226 N PRO A 18 -6.610 -18.339 -2.814 1.00 0.00 N ATOM 227 CA PRO A 18 -7.432 -17.840 -3.903 1.00 0.00 C ATOM 228 C PRO A 18 -6.573 -17.160 -4.971 1.00 0.00 C ATOM 229 O PRO A 18 -5.593 -16.490 -4.650 1.00 0.00 O ATOM 230 CB PRO A 18 -8.423 -16.893 -3.246 1.00 0.00 C ATOM 231 CG PRO A 18 -7.827 -16.540 -1.893 1.00 0.00 C ATOM 232 CD PRO A 18 -6.702 -17.521 -1.608 1.00 0.00 C ATOM 0 HA PRO A 18 -7.954 -18.635 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.571 -16.000 -3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.398 -17.366 -3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.450 -15.517 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.588 -16.596 -1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.765 -17.002 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.921 -18.131 -0.731 1.00 0.00 H new ATOM 240 N SER A 19 -6.972 -17.356 -6.219 1.00 0.00 N ATOM 241 CA SER A 19 -6.251 -16.769 -7.336 1.00 0.00 C ATOM 242 C SER A 19 -6.810 -15.380 -7.649 1.00 0.00 C ATOM 243 O SER A 19 -6.743 -14.922 -8.789 1.00 0.00 O ATOM 244 CB SER A 19 -6.331 -17.665 -8.574 1.00 0.00 C ATOM 245 OG SER A 19 -5.257 -18.600 -8.627 1.00 0.00 O ATOM 0 H SER A 19 -7.785 -17.913 -6.482 1.00 0.00 H new ATOM 0 HA SER A 19 -5.202 -16.676 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.279 -18.202 -8.572 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.317 -17.046 -9.471 1.00 0.00 H new ATOM 0 HG SER A 19 -5.345 -19.154 -9.430 1.00 0.00 H new ATOM 251 N GLN A 20 -7.349 -14.748 -6.617 1.00 0.00 N ATOM 252 CA GLN A 20 -7.919 -13.420 -6.767 1.00 0.00 C ATOM 253 C GLN A 20 -7.157 -12.414 -5.902 1.00 0.00 C ATOM 254 O GLN A 20 -7.243 -12.453 -4.676 1.00 0.00 O ATOM 255 CB GLN A 20 -9.410 -13.421 -6.422 1.00 0.00 C ATOM 256 CG GLN A 20 -9.838 -12.075 -5.835 1.00 0.00 C ATOM 257 CD GLN A 20 -11.363 -11.950 -5.803 1.00 0.00 C ATOM 258 OE1 GLN A 20 -12.088 -12.924 -5.684 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.806 -10.702 -5.917 1.00 0.00 N ATOM 0 H GLN A 20 -7.403 -15.131 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.821 -13.120 -7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.994 -13.633 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.621 -14.217 -5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.440 -11.971 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.416 -11.264 -6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.143 -9.932 -6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.808 -10.514 -5.908 1.00 0.00 H new ATOM 268 N PRO A 21 -6.410 -11.512 -6.594 1.00 0.00 N ATOM 269 CA PRO A 21 -5.633 -10.497 -5.902 1.00 0.00 C ATOM 270 C PRO A 21 -6.537 -9.387 -5.364 1.00 0.00 C ATOM 271 O PRO A 21 -7.677 -9.242 -5.803 1.00 0.00 O ATOM 272 CB PRO A 21 -4.630 -10.001 -6.931 1.00 0.00 C ATOM 273 CG PRO A 21 -5.181 -10.417 -8.285 1.00 0.00 C ATOM 274 CD PRO A 21 -6.284 -11.435 -8.046 1.00 0.00 C ATOM 0 HA PRO A 21 -5.121 -10.886 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.513 -8.919 -6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.646 -10.437 -6.759 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.570 -9.551 -8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.392 -10.847 -8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.220 -11.121 -8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.027 -12.404 -8.473 1.00 0.00 H new ATOM 282 N PRO A 22 -5.980 -8.611 -4.396 1.00 0.00 N ATOM 283 CA PRO A 22 -6.724 -7.517 -3.794 1.00 0.00 C ATOM 284 C PRO A 22 -6.814 -6.324 -4.747 1.00 0.00 C ATOM 285 O PRO A 22 -5.794 -5.817 -5.211 1.00 0.00 O ATOM 286 CB PRO A 22 -5.979 -7.196 -2.509 1.00 0.00 C ATOM 287 CG PRO A 22 -4.593 -7.800 -2.668 1.00 0.00 C ATOM 288 CD PRO A 22 -4.633 -8.753 -3.852 1.00 0.00 C ATOM 0 HA PRO A 22 -7.761 -7.779 -3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.920 -6.119 -2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.492 -7.618 -1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.852 -7.018 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.301 -8.330 -1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.877 -8.495 -4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.438 -9.779 -3.541 1.00 0.00 H new ATOM 296 N GLY A 23 -8.045 -5.910 -5.011 1.00 0.00 N ATOM 297 CA GLY A 23 -8.281 -4.786 -5.901 1.00 0.00 C ATOM 298 C GLY A 23 -8.365 -3.475 -5.118 1.00 0.00 C ATOM 299 O GLY A 23 -8.117 -3.450 -3.913 1.00 0.00 O ATOM 0 H GLY A 23 -8.889 -6.333 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.478 -4.724 -6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.207 -4.944 -6.454 1.00 0.00 H new ATOM 303 N ASN A 24 -8.716 -2.417 -5.833 1.00 0.00 N ATOM 304 CA ASN A 24 -8.837 -1.105 -5.220 1.00 0.00 C ATOM 305 C ASN A 24 -7.572 -0.807 -4.412 1.00 0.00 C ATOM 306 O ASN A 24 -7.625 -0.096 -3.409 1.00 0.00 O ATOM 307 CB ASN A 24 -10.031 -1.050 -4.266 1.00 0.00 C ATOM 308 CG ASN A 24 -10.715 0.317 -4.321 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.768 0.490 -4.914 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.060 1.276 -3.673 1.00 0.00 N ATOM 0 H ASN A 24 -8.921 -2.441 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.978 -0.373 -6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.747 -1.829 -4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.697 -1.253 -3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.434 2.225 -3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.183 1.063 -3.197 1.00 0.00 H new ATOM 317 N VAL A 25 -6.465 -1.365 -4.878 1.00 0.00 N ATOM 318 CA VAL A 25 -5.189 -1.168 -4.211 1.00 0.00 C ATOM 319 C VAL A 25 -4.757 0.292 -4.368 1.00 0.00 C ATOM 320 O VAL A 25 -4.098 0.646 -5.344 1.00 0.00 O ATOM 321 CB VAL A 25 -4.157 -2.158 -4.754 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.795 -1.952 -4.086 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.638 -3.600 -4.582 1.00 0.00 C ATOM 0 H VAL A 25 -6.425 -1.954 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.281 -1.367 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.040 -1.968 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.080 -2.668 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.444 -0.939 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.891 -2.102 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.886 -4.284 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.797 -3.807 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.574 -3.738 -5.124 1.00 0.00 H new ATOM 333 N VAL A 26 -5.145 1.098 -3.391 1.00 0.00 N ATOM 334 CA VAL A 26 -4.806 2.511 -3.408 1.00 0.00 C ATOM 335 C VAL A 26 -3.713 2.781 -2.371 1.00 0.00 C ATOM 336 O VAL A 26 -3.220 1.856 -1.728 1.00 0.00 O ATOM 337 CB VAL A 26 -6.063 3.354 -3.184 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.136 3.023 -4.223 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.600 3.171 -1.763 1.00 0.00 C ATOM 0 H VAL A 26 -5.691 0.800 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.409 2.797 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.790 4.402 -3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.019 3.636 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.751 3.228 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.404 1.969 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.493 3.781 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.849 2.122 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.840 3.479 -1.045 1.00 0.00 H new ATOM 349 N TRP A 27 -3.366 4.053 -2.242 1.00 0.00 N ATOM 350 CA TRP A 27 -2.341 4.457 -1.295 1.00 0.00 C ATOM 351 C TRP A 27 -2.538 5.943 -0.988 1.00 0.00 C ATOM 352 O TRP A 27 -3.431 6.581 -1.543 1.00 0.00 O ATOM 353 CB TRP A 27 -0.944 4.138 -1.830 1.00 0.00 C ATOM 354 CG TRP A 27 -0.661 4.718 -3.218 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.991 4.203 -4.410 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.027 5.952 -3.509 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.568 5.012 -5.445 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.071 6.110 -4.880 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.593 6.905 -2.644 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.671 7.208 -5.506 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.189 7.997 -3.286 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.242 8.170 -4.664 1.00 0.00 C ATOM 0 H TRP A 27 -3.777 4.818 -2.778 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.433 3.895 -0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.202 4.521 -1.129 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.819 3.056 -1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.521 3.272 -4.544 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.700 4.837 -6.441 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.570 6.803 -1.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.693 7.308 -6.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.639 8.759 -2.667 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.721 9.042 -5.083 1.00 0.00 H new ATOM 373 N ASN A 28 -1.690 6.450 -0.106 1.00 0.00 N ATOM 374 CA ASN A 28 -1.761 7.849 0.281 1.00 0.00 C ATOM 375 C ASN A 28 -0.451 8.252 0.962 1.00 0.00 C ATOM 376 O ASN A 28 0.295 7.396 1.435 1.00 0.00 O ATOM 377 CB ASN A 28 -2.902 8.090 1.271 1.00 0.00 C ATOM 378 CG ASN A 28 -4.236 8.257 0.540 1.00 0.00 C ATOM 379 OD1 ASN A 28 -5.004 7.324 0.374 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.466 9.496 0.112 1.00 0.00 N ATOM 0 H ASN A 28 -0.950 5.918 0.352 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.934 8.439 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.967 7.254 1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.693 8.982 1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.328 9.711 -0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.780 10.231 0.285 1.00 0.00 H new ATOM 387 N ALA A 29 -0.213 9.555 0.991 1.00 0.00 N ATOM 388 CA ALA A 29 0.993 10.081 1.607 1.00 0.00 C ATOM 389 C ALA A 29 0.644 11.333 2.413 1.00 0.00 C ATOM 390 O ALA A 29 0.130 12.307 1.864 1.00 0.00 O ATOM 391 CB ALA A 29 2.040 10.357 0.525 1.00 0.00 C ATOM 0 H ALA A 29 -0.835 10.262 0.598 1.00 0.00 H new ATOM 0 HA ALA A 29 1.421 9.353 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.945 10.752 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.274 9.431 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.647 11.086 -0.184 1.00 0.00 H new ATOM 397 N THR A 30 0.937 11.268 3.704 1.00 0.00 N ATOM 398 CA THR A 30 0.661 12.385 4.591 1.00 0.00 C ATOM 399 C THR A 30 1.738 12.485 5.674 1.00 0.00 C ATOM 400 O THR A 30 2.478 11.531 5.908 1.00 0.00 O ATOM 401 CB THR A 30 -0.750 12.203 5.154 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.936 13.336 5.998 1.00 0.00 O ATOM 403 CG2 THR A 30 -0.853 11.009 6.105 1.00 0.00 C ATOM 0 H THR A 30 1.363 10.459 4.157 1.00 0.00 H new ATOM 0 HA THR A 30 0.694 13.333 4.055 1.00 0.00 H new ATOM 0 HB THR A 30 -1.454 12.073 4.332 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.827 13.299 6.403 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.875 10.926 6.475 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.584 10.096 5.573 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.173 11.153 6.945 1.00 0.00 H new ATOM 411 N ASP A 31 1.791 13.649 6.304 1.00 0.00 N ATOM 412 CA ASP A 31 2.765 13.886 7.356 1.00 0.00 C ATOM 413 C ASP A 31 4.096 13.238 6.969 1.00 0.00 C ATOM 414 O ASP A 31 4.912 13.851 6.282 1.00 0.00 O ATOM 415 CB ASP A 31 2.307 13.271 8.680 1.00 0.00 C ATOM 416 CG ASP A 31 1.327 14.125 9.486 1.00 0.00 C ATOM 417 OD1 ASP A 31 1.802 15.099 10.109 1.00 0.00 O ATOM 418 OD2 ASP A 31 0.124 13.785 9.460 1.00 0.00 O ATOM 0 H ASP A 31 1.176 14.438 6.106 1.00 0.00 H new ATOM 0 HA ASP A 31 2.874 14.964 7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.841 12.308 8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.185 13.075 9.295 1.00 0.00 H new ATOM 423 N THR A 32 4.273 12.008 7.426 1.00 0.00 N ATOM 424 CA THR A 32 5.491 11.270 7.136 1.00 0.00 C ATOM 425 C THR A 32 5.222 9.764 7.164 1.00 0.00 C ATOM 426 O THR A 32 5.950 9.012 7.811 1.00 0.00 O ATOM 427 CB THR A 32 6.563 11.715 8.134 1.00 0.00 C ATOM 428 OG1 THR A 32 5.988 11.436 9.407 1.00 0.00 O ATOM 429 CG2 THR A 32 6.764 13.231 8.139 1.00 0.00 C ATOM 0 H THR A 32 3.594 11.503 7.995 1.00 0.00 H new ATOM 0 HA THR A 32 5.853 11.485 6.131 1.00 0.00 H new ATOM 0 HB THR A 32 7.507 11.225 7.896 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.617 11.693 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.535 13.493 8.864 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.072 13.560 7.147 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.829 13.721 8.410 1.00 0.00 H new ATOM 437 N LYS A 33 4.175 9.369 6.455 1.00 0.00 N ATOM 438 CA LYS A 33 3.801 7.967 6.390 1.00 0.00 C ATOM 439 C LYS A 33 3.098 7.692 5.059 1.00 0.00 C ATOM 440 O LYS A 33 2.878 8.608 4.268 1.00 0.00 O ATOM 441 CB LYS A 33 2.973 7.576 7.616 1.00 0.00 C ATOM 442 CG LYS A 33 3.636 6.430 8.383 1.00 0.00 C ATOM 443 CD LYS A 33 2.733 5.933 9.514 1.00 0.00 C ATOM 444 CE LYS A 33 3.002 6.703 10.808 1.00 0.00 C ATOM 445 NZ LYS A 33 3.624 5.818 11.818 1.00 0.00 N ATOM 0 H LYS A 33 3.574 9.996 5.920 1.00 0.00 H new ATOM 0 HA LYS A 33 4.688 7.334 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.858 8.439 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.972 7.278 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.855 5.609 7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.588 6.765 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.688 6.050 9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.902 4.869 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.658 7.550 10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.068 7.109 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.800 6.356 12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.985 5.024 12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.525 5.451 11.450 1.00 0.00 H new ATOM 459 N VAL A 34 2.764 6.426 4.854 1.00 0.00 N ATOM 460 CA VAL A 34 2.090 6.019 3.633 1.00 0.00 C ATOM 461 C VAL A 34 0.914 5.106 3.984 1.00 0.00 C ATOM 462 O VAL A 34 1.109 3.939 4.322 1.00 0.00 O ATOM 463 CB VAL A 34 3.089 5.365 2.676 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.366 4.622 1.551 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.065 6.399 2.112 1.00 0.00 C ATOM 0 H VAL A 34 2.948 5.669 5.513 1.00 0.00 H new ATOM 0 HA VAL A 34 1.684 6.887 3.114 1.00 0.00 H new ATOM 0 HB VAL A 34 3.666 4.634 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.099 4.167 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.731 3.845 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.751 5.324 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.764 5.908 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.511 7.164 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.617 6.862 2.930 1.00 0.00 H new ATOM 475 N LEU A 35 -0.281 5.671 3.893 1.00 0.00 N ATOM 476 CA LEU A 35 -1.488 4.922 4.198 1.00 0.00 C ATOM 477 C LEU A 35 -1.892 4.094 2.976 1.00 0.00 C ATOM 478 O LEU A 35 -2.160 4.646 1.909 1.00 0.00 O ATOM 479 CB LEU A 35 -2.590 5.860 4.696 1.00 0.00 C ATOM 480 CG LEU A 35 -2.180 6.858 5.781 1.00 0.00 C ATOM 481 CD1 LEU A 35 -1.272 6.196 6.820 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.537 8.103 5.167 1.00 0.00 C ATOM 0 H LEU A 35 -0.439 6.639 3.612 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.305 4.221 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.977 6.418 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.411 5.253 5.079 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.080 7.185 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.995 6.927 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.801 5.367 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.372 5.822 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.255 8.796 5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.649 7.814 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.248 8.587 4.498 1.00 0.00 H new ATOM 494 N LEU A 36 -1.923 2.784 3.172 1.00 0.00 N ATOM 495 CA LEU A 36 -2.289 1.876 2.099 1.00 0.00 C ATOM 496 C LEU A 36 -3.718 1.377 2.325 1.00 0.00 C ATOM 497 O LEU A 36 -4.168 1.266 3.464 1.00 0.00 O ATOM 498 CB LEU A 36 -1.258 0.752 1.973 1.00 0.00 C ATOM 499 CG LEU A 36 0.157 1.181 1.582 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.029 -0.034 1.258 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.126 2.188 0.430 1.00 0.00 C ATOM 0 H LEU A 36 -1.701 2.330 4.058 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.279 2.395 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.206 0.225 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.617 0.038 1.232 1.00 0.00 H new ATOM 0 HG LEU A 36 0.610 1.683 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.030 0.299 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.090 -0.682 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.590 -0.586 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.145 2.477 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.354 1.734 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.435 3.071 0.734 1.00 0.00 H new ATOM 513 N ASN A 37 -4.392 1.090 1.221 1.00 0.00 N ATOM 514 CA ASN A 37 -5.760 0.605 1.284 1.00 0.00 C ATOM 515 C ASN A 37 -6.065 -0.213 0.028 1.00 0.00 C ATOM 516 O ASN A 37 -5.835 0.248 -1.089 1.00 0.00 O ATOM 517 CB ASN A 37 -6.753 1.767 1.343 1.00 0.00 C ATOM 518 CG ASN A 37 -6.194 2.925 2.173 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.983 2.820 3.370 1.00 0.00 O ATOM 520 ND2 ASN A 37 -5.966 4.032 1.472 1.00 0.00 N ATOM 0 H ASN A 37 -4.016 1.184 0.278 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.861 -0.003 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.974 2.112 0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.693 1.425 1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.592 4.861 1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.165 4.052 0.472 1.00 0.00 H new ATOM 527 N TRP A 38 -6.578 -1.414 0.253 1.00 0.00 N ATOM 528 CA TRP A 38 -6.917 -2.301 -0.847 1.00 0.00 C ATOM 529 C TRP A 38 -8.136 -3.127 -0.430 1.00 0.00 C ATOM 530 O TRP A 38 -8.332 -3.396 0.754 1.00 0.00 O ATOM 531 CB TRP A 38 -5.718 -3.165 -1.244 1.00 0.00 C ATOM 532 CG TRP A 38 -5.214 -4.082 -0.128 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.623 -5.324 0.166 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.184 -3.778 0.836 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.934 -5.840 1.245 1.00 0.00 N ATOM 536 CE2 TRP A 38 -4.032 -4.870 1.665 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.407 -2.618 1.001 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.109 -4.910 2.718 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.490 -2.674 2.057 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.324 -3.766 2.902 1.00 0.00 C ATOM 0 H TRP A 38 -6.767 -1.793 1.181 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.172 -1.729 -1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.992 -3.775 -2.105 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.903 -2.514 -1.561 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.394 -5.854 -0.373 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.063 -6.764 1.658 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.510 -1.752 0.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.009 -5.777 3.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.867 -1.808 2.228 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.593 -3.731 3.696 1.00 0.00 H new ATOM 551 N GLU A 39 -8.922 -3.506 -1.426 1.00 0.00 N ATOM 552 CA GLU A 39 -10.117 -4.296 -1.178 1.00 0.00 C ATOM 553 C GLU A 39 -9.747 -5.624 -0.514 1.00 0.00 C ATOM 554 O GLU A 39 -8.577 -5.874 -0.229 1.00 0.00 O ATOM 555 CB GLU A 39 -10.899 -4.529 -2.472 1.00 0.00 C ATOM 556 CG GLU A 39 -12.252 -3.817 -2.430 1.00 0.00 C ATOM 557 CD GLU A 39 -13.384 -4.806 -2.144 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.366 -5.886 -2.773 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.241 -4.460 -1.303 1.00 0.00 O ATOM 0 H GLU A 39 -8.755 -3.281 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.762 -3.739 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.320 -4.167 -3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.051 -5.598 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.237 -3.044 -1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.433 -3.317 -3.381 1.00 0.00 H new ATOM 566 N GLN A 40 -10.766 -6.439 -0.287 1.00 0.00 N ATOM 567 CA GLN A 40 -10.562 -7.735 0.337 1.00 0.00 C ATOM 568 C GLN A 40 -10.670 -8.850 -0.705 1.00 0.00 C ATOM 569 O GLN A 40 -11.191 -8.634 -1.798 1.00 0.00 O ATOM 570 CB GLN A 40 -11.555 -7.955 1.480 1.00 0.00 C ATOM 571 CG GLN A 40 -12.986 -7.659 1.027 1.00 0.00 C ATOM 572 CD GLN A 40 -14.004 -8.223 2.021 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.743 -9.167 2.748 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.175 -7.592 2.013 1.00 0.00 N ATOM 0 H GLN A 40 -11.735 -6.227 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.558 -7.758 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.487 -8.984 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.295 -7.312 2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.125 -6.582 0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.156 -8.092 0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.328 -6.808 1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.920 -7.892 2.641 1.00 0.00 H new ATOM 583 N VAL A 41 -10.169 -10.018 -0.330 1.00 0.00 N ATOM 584 CA VAL A 41 -10.203 -11.167 -1.219 1.00 0.00 C ATOM 585 C VAL A 41 -10.982 -12.301 -0.550 1.00 0.00 C ATOM 586 O VAL A 41 -10.640 -12.729 0.552 1.00 0.00 O ATOM 587 CB VAL A 41 -8.779 -11.569 -1.609 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.746 -12.989 -2.176 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.179 -10.569 -2.599 1.00 0.00 C ATOM 0 H VAL A 41 -9.737 -10.193 0.577 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.722 -10.918 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.168 -11.555 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.722 -13.250 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.113 -13.689 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.379 -13.042 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.167 -10.878 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.792 -10.536 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.150 -9.579 -2.144 1.00 0.00 H new ATOM 599 N LYS A 42 -12.015 -12.756 -1.243 1.00 0.00 N ATOM 600 CA LYS A 42 -12.846 -13.832 -0.730 1.00 0.00 C ATOM 601 C LYS A 42 -12.673 -15.070 -1.613 1.00 0.00 C ATOM 602 O LYS A 42 -12.996 -15.040 -2.800 1.00 0.00 O ATOM 603 CB LYS A 42 -14.298 -13.371 -0.596 1.00 0.00 C ATOM 604 CG LYS A 42 -14.555 -12.762 0.784 1.00 0.00 C ATOM 605 CD LYS A 42 -16.031 -12.402 0.959 1.00 0.00 C ATOM 606 CE LYS A 42 -16.600 -13.023 2.236 1.00 0.00 C ATOM 607 NZ LYS A 42 -18.046 -12.731 2.355 1.00 0.00 N ATOM 0 H LYS A 42 -12.296 -12.399 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.530 -14.110 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.523 -12.636 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.968 -14.216 -0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.255 -13.468 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.942 -11.870 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.143 -11.318 0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.599 -12.751 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.440 -14.101 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.071 -12.631 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.416 -13.160 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.191 -11.702 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.549 -13.126 1.535 1.00 0.00 H new ATOM 621 N ALA A 43 -12.162 -16.128 -1.001 1.00 0.00 N ATOM 622 CA ALA A 43 -11.942 -17.373 -1.717 1.00 0.00 C ATOM 623 C ALA A 43 -13.281 -18.089 -1.910 1.00 0.00 C ATOM 624 O ALA A 43 -14.119 -18.099 -1.009 1.00 0.00 O ATOM 625 CB ALA A 43 -10.929 -18.229 -0.954 1.00 0.00 C ATOM 0 H ALA A 43 -11.894 -16.149 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.526 -17.178 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.764 -19.163 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.987 -17.688 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.314 -18.447 0.042 1.00 0.00 H new ATOM 631 N MET A 44 -13.440 -18.670 -3.090 1.00 0.00 N ATOM 632 CA MET A 44 -14.663 -19.386 -3.413 1.00 0.00 C ATOM 633 C MET A 44 -14.591 -20.837 -2.934 1.00 0.00 C ATOM 634 O MET A 44 -13.668 -21.211 -2.211 1.00 0.00 O ATOM 635 CB MET A 44 -14.886 -19.358 -4.926 1.00 0.00 C ATOM 636 CG MET A 44 -15.957 -18.332 -5.303 1.00 0.00 C ATOM 637 SD MET A 44 -17.532 -19.144 -5.518 1.00 0.00 S ATOM 638 CE MET A 44 -17.987 -18.517 -7.126 1.00 0.00 C ATOM 0 H MET A 44 -12.743 -18.660 -3.834 1.00 0.00 H new ATOM 0 HA MET A 44 -15.494 -18.896 -2.905 1.00 0.00 H new ATOM 0 HB2 MET A 44 -13.951 -19.115 -5.431 1.00 0.00 H new ATOM 0 HB3 MET A 44 -15.187 -20.347 -5.271 1.00 0.00 H new ATOM 0 HG2 MET A 44 -16.034 -17.572 -4.526 1.00 0.00 H new ATOM 0 HG3 MET A 44 -15.674 -17.820 -6.223 1.00 0.00 H new ATOM 0 HE1 MET A 44 -18.954 -18.927 -7.416 1.00 0.00 H new ATOM 0 HE2 MET A 44 -18.051 -17.430 -7.088 1.00 0.00 H new ATOM 0 HE3 MET A 44 -17.234 -18.811 -7.857 1.00 0.00 H new ATOM 648 N GLU A 45 -15.576 -21.615 -3.355 1.00 0.00 N ATOM 649 CA GLU A 45 -15.636 -23.017 -2.979 1.00 0.00 C ATOM 650 C GLU A 45 -14.263 -23.671 -3.145 1.00 0.00 C ATOM 651 O GLU A 45 -13.635 -23.546 -4.195 1.00 0.00 O ATOM 652 CB GLU A 45 -16.699 -23.759 -3.793 1.00 0.00 C ATOM 653 CG GLU A 45 -17.112 -25.059 -3.100 1.00 0.00 C ATOM 654 CD GLU A 45 -18.172 -25.802 -3.915 1.00 0.00 C ATOM 655 OE1 GLU A 45 -17.793 -26.353 -4.971 1.00 0.00 O ATOM 656 OE2 GLU A 45 -19.338 -25.802 -3.464 1.00 0.00 O ATOM 0 H GLU A 45 -16.340 -21.301 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.921 -23.079 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.572 -23.120 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.312 -23.980 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.238 -25.697 -2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.501 -24.838 -2.106 1.00 0.00 H new ATOM 663 N ASN A 46 -13.837 -24.354 -2.093 1.00 0.00 N ATOM 664 CA ASN A 46 -12.550 -25.028 -2.109 1.00 0.00 C ATOM 665 C ASN A 46 -11.455 -24.036 -1.711 1.00 0.00 C ATOM 666 O ASN A 46 -10.673 -24.302 -0.799 1.00 0.00 O ATOM 667 CB ASN A 46 -12.223 -25.557 -3.507 1.00 0.00 C ATOM 668 CG ASN A 46 -11.343 -26.807 -3.428 1.00 0.00 C ATOM 669 OD1 ASN A 46 -10.537 -26.974 -2.528 1.00 0.00 O ATOM 670 ND2 ASN A 46 -11.543 -27.672 -4.418 1.00 0.00 N ATOM 0 H ASN A 46 -14.361 -24.455 -1.223 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.597 -25.863 -1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.147 -25.791 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.713 -24.784 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.005 -28.538 -4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.234 -27.470 -5.140 1.00 0.00 H new ATOM 677 N GLU A 47 -11.434 -22.913 -2.414 1.00 0.00 N ATOM 678 CA GLU A 47 -10.448 -21.880 -2.146 1.00 0.00 C ATOM 679 C GLU A 47 -10.440 -21.528 -0.657 1.00 0.00 C ATOM 680 O GLU A 47 -11.492 -21.490 -0.019 1.00 0.00 O ATOM 681 CB GLU A 47 -10.707 -20.639 -3.002 1.00 0.00 C ATOM 682 CG GLU A 47 -10.557 -20.958 -4.490 1.00 0.00 C ATOM 683 CD GLU A 47 -11.776 -20.478 -5.280 1.00 0.00 C ATOM 684 OE1 GLU A 47 -11.776 -19.285 -5.653 1.00 0.00 O ATOM 685 OE2 GLU A 47 -12.680 -21.314 -5.493 1.00 0.00 O ATOM 0 H GLU A 47 -12.084 -22.696 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.464 -22.266 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.711 -20.261 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.009 -19.849 -2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.657 -20.482 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.432 -22.032 -4.624 1.00 0.00 H new ATOM 692 N SER A 48 -9.243 -21.279 -0.146 1.00 0.00 N ATOM 693 CA SER A 48 -9.085 -20.931 1.256 1.00 0.00 C ATOM 694 C SER A 48 -9.321 -19.433 1.453 1.00 0.00 C ATOM 695 O SER A 48 -8.899 -18.621 0.630 1.00 0.00 O ATOM 696 CB SER A 48 -7.698 -21.323 1.767 1.00 0.00 C ATOM 697 OG SER A 48 -7.714 -22.570 2.455 1.00 0.00 O ATOM 0 H SER A 48 -8.373 -21.311 -0.678 1.00 0.00 H new ATOM 0 HA SER A 48 -9.825 -21.487 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.006 -21.382 0.927 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.325 -20.546 2.434 1.00 0.00 H new ATOM 0 HG SER A 48 -6.809 -22.785 2.764 1.00 0.00 H new ATOM 703 N GLU A 49 -9.994 -19.110 2.547 1.00 0.00 N ATOM 704 CA GLU A 49 -10.290 -17.723 2.863 1.00 0.00 C ATOM 705 C GLU A 49 -9.005 -16.974 3.221 1.00 0.00 C ATOM 706 O GLU A 49 -7.991 -17.592 3.541 1.00 0.00 O ATOM 707 CB GLU A 49 -11.315 -17.625 3.994 1.00 0.00 C ATOM 708 CG GLU A 49 -10.650 -17.829 5.357 1.00 0.00 C ATOM 709 CD GLU A 49 -11.588 -18.555 6.322 1.00 0.00 C ATOM 710 OE1 GLU A 49 -11.646 -19.800 6.228 1.00 0.00 O ATOM 711 OE2 GLU A 49 -12.226 -17.849 7.133 1.00 0.00 O ATOM 0 H GLU A 49 -10.343 -19.786 3.227 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.726 -17.255 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.801 -16.650 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.094 -18.374 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.732 -18.404 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.368 -16.863 5.776 1.00 0.00 H new ATOM 718 N VAL A 50 -9.090 -15.654 3.155 1.00 0.00 N ATOM 719 CA VAL A 50 -7.946 -14.814 3.468 1.00 0.00 C ATOM 720 C VAL A 50 -7.981 -14.446 4.953 1.00 0.00 C ATOM 721 O VAL A 50 -8.973 -13.907 5.440 1.00 0.00 O ATOM 722 CB VAL A 50 -7.929 -13.590 2.550 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.866 -12.584 2.997 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.714 -14.002 1.092 1.00 0.00 C ATOM 0 H VAL A 50 -9.933 -15.145 2.889 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.016 -15.353 3.287 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.902 -13.104 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.875 -11.724 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.081 -12.255 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.884 -13.056 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.706 -13.114 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.761 -14.523 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.522 -14.663 0.778 1.00 0.00 H new ATOM 734 N THR A 51 -6.884 -14.752 5.631 1.00 0.00 N ATOM 735 CA THR A 51 -6.776 -14.461 7.050 1.00 0.00 C ATOM 736 C THR A 51 -5.821 -13.289 7.283 1.00 0.00 C ATOM 737 O THR A 51 -5.730 -12.768 8.394 1.00 0.00 O ATOM 738 CB THR A 51 -6.349 -15.744 7.765 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.949 -15.831 7.516 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.923 -17.001 7.107 1.00 0.00 C ATOM 0 H THR A 51 -6.062 -15.199 5.223 1.00 0.00 H new ATOM 0 HA THR A 51 -7.734 -14.146 7.463 1.00 0.00 H new ATOM 0 HB THR A 51 -6.668 -15.702 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.590 -16.635 7.946 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.589 -17.883 7.654 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.012 -16.955 7.123 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.577 -17.062 6.075 1.00 0.00 H new ATOM 748 N GLY A 52 -5.131 -12.909 6.217 1.00 0.00 N ATOM 749 CA GLY A 52 -4.186 -11.808 6.292 1.00 0.00 C ATOM 750 C GLY A 52 -3.623 -11.474 4.908 1.00 0.00 C ATOM 751 O GLY A 52 -4.023 -12.073 3.911 1.00 0.00 O ATOM 0 H GLY A 52 -5.208 -13.344 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.678 -10.930 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.371 -12.069 6.967 1.00 0.00 H new ATOM 755 N TYR A 53 -2.705 -10.520 4.893 1.00 0.00 N ATOM 756 CA TYR A 53 -2.083 -10.099 3.649 1.00 0.00 C ATOM 757 C TYR A 53 -0.627 -9.688 3.875 1.00 0.00 C ATOM 758 O TYR A 53 -0.235 -9.369 4.996 1.00 0.00 O ATOM 759 CB TYR A 53 -2.876 -8.881 3.172 1.00 0.00 C ATOM 760 CG TYR A 53 -4.251 -9.220 2.594 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.342 -9.336 3.431 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.401 -9.411 1.235 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.637 -9.656 2.887 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.695 -9.731 0.691 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.749 -9.837 1.544 1.00 0.00 C ATOM 766 OH TYR A 53 -7.972 -10.139 1.030 1.00 0.00 O ATOM 0 H TYR A 53 -2.376 -10.026 5.723 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.089 -10.912 2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.004 -8.194 4.008 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.294 -8.356 2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.225 -9.187 4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.547 -9.320 0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.499 -9.750 3.531 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.826 -9.883 -0.370 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.520 -10.567 1.720 1.00 0.00 H new ATOM 776 N LYS A 54 0.136 -9.710 2.791 1.00 0.00 N ATOM 777 CA LYS A 54 1.540 -9.344 2.857 1.00 0.00 C ATOM 778 C LYS A 54 1.783 -8.111 1.984 1.00 0.00 C ATOM 779 O LYS A 54 1.511 -8.132 0.785 1.00 0.00 O ATOM 780 CB LYS A 54 2.423 -10.539 2.492 1.00 0.00 C ATOM 781 CG LYS A 54 2.388 -11.603 3.591 1.00 0.00 C ATOM 782 CD LYS A 54 3.560 -12.575 3.451 1.00 0.00 C ATOM 783 CE LYS A 54 3.783 -13.356 4.748 1.00 0.00 C ATOM 784 NZ LYS A 54 5.055 -14.111 4.687 1.00 0.00 N ATOM 0 H LYS A 54 -0.192 -9.976 1.863 1.00 0.00 H new ATOM 0 HA LYS A 54 1.815 -9.073 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.084 -10.972 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.449 -10.204 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.425 -11.122 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.448 -12.152 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.366 -13.269 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.465 -12.024 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.801 -12.669 5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.953 -14.043 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.191 -14.635 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.024 -14.780 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.846 -13.449 4.552 1.00 0.00 H new ATOM 798 N VAL A 55 2.292 -7.066 2.620 1.00 0.00 N ATOM 799 CA VAL A 55 2.575 -5.827 1.916 1.00 0.00 C ATOM 800 C VAL A 55 4.033 -5.830 1.452 1.00 0.00 C ATOM 801 O VAL A 55 4.939 -5.566 2.241 1.00 0.00 O ATOM 802 CB VAL A 55 2.233 -4.630 2.807 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.406 -3.314 2.046 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.817 -4.755 3.373 1.00 0.00 C ATOM 0 H VAL A 55 2.516 -7.052 3.615 1.00 0.00 H new ATOM 0 HA VAL A 55 1.952 -5.742 1.026 1.00 0.00 H new ATOM 0 HB VAL A 55 2.929 -4.626 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.157 -2.479 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.440 -3.219 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.745 -3.305 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.599 -3.892 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.100 -4.797 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.742 -5.666 3.967 1.00 0.00 H new ATOM 814 N PHE A 56 4.213 -6.131 0.175 1.00 0.00 N ATOM 815 CA PHE A 56 5.545 -6.171 -0.403 1.00 0.00 C ATOM 816 C PHE A 56 5.956 -4.795 -0.933 1.00 0.00 C ATOM 817 O PHE A 56 5.533 -4.391 -2.015 1.00 0.00 O ATOM 818 CB PHE A 56 5.497 -7.159 -1.571 1.00 0.00 C ATOM 819 CG PHE A 56 5.448 -8.627 -1.141 1.00 0.00 C ATOM 820 CD1 PHE A 56 6.597 -9.279 -0.818 1.00 0.00 C ATOM 821 CD2 PHE A 56 4.257 -9.280 -1.083 1.00 0.00 C ATOM 822 CE1 PHE A 56 6.552 -10.642 -0.420 1.00 0.00 C ATOM 823 CE2 PHE A 56 4.212 -10.642 -0.685 1.00 0.00 C ATOM 824 CZ PHE A 56 5.361 -11.294 -0.362 1.00 0.00 C ATOM 0 H PHE A 56 3.459 -6.350 -0.476 1.00 0.00 H new ATOM 0 HA PHE A 56 6.269 -6.470 0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.622 -6.941 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.373 -7.004 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.543 -8.761 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.345 -8.762 -1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.464 -11.160 -0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.266 -11.160 -0.639 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.327 -12.330 -0.059 1.00 0.00 H new ATOM 834 N TYR A 57 6.774 -4.114 -0.145 1.00 0.00 N ATOM 835 CA TYR A 57 7.246 -2.792 -0.520 1.00 0.00 C ATOM 836 C TYR A 57 8.744 -2.812 -0.832 1.00 0.00 C ATOM 837 O TYR A 57 9.525 -3.422 -0.102 1.00 0.00 O ATOM 838 CB TYR A 57 7.002 -1.896 0.696 1.00 0.00 C ATOM 839 CG TYR A 57 7.517 -2.481 2.013 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.695 -3.279 2.781 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.804 -2.209 2.432 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.179 -3.830 4.020 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.288 -2.760 3.672 1.00 0.00 C ATOM 844 CZ TYR A 57 8.452 -3.543 4.405 1.00 0.00 C ATOM 845 OH TYR A 57 8.910 -4.062 5.575 1.00 0.00 O ATOM 0 H TYR A 57 7.122 -4.453 0.752 1.00 0.00 H new ATOM 0 HA TYR A 57 6.727 -2.438 -1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.482 -0.932 0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.932 -1.708 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.688 -3.491 2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.447 -1.584 1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.546 -4.457 4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.293 -2.556 4.012 1.00 0.00 H new ATOM 0 HH TYR A 57 9.878 -4.203 5.514 1.00 0.00 H new ATOM 855 N ARG A 58 9.099 -2.139 -1.916 1.00 0.00 N ATOM 856 CA ARG A 58 10.490 -2.072 -2.333 1.00 0.00 C ATOM 857 C ARG A 58 10.724 -0.837 -3.205 1.00 0.00 C ATOM 858 O ARG A 58 9.875 -0.479 -4.020 1.00 0.00 O ATOM 859 CB ARG A 58 10.891 -3.324 -3.116 1.00 0.00 C ATOM 860 CG ARG A 58 9.773 -3.759 -4.065 1.00 0.00 C ATOM 861 CD ARG A 58 10.345 -4.436 -5.312 1.00 0.00 C ATOM 862 NE ARG A 58 10.554 -3.434 -6.381 1.00 0.00 N ATOM 863 CZ ARG A 58 10.900 -3.739 -7.639 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.077 -5.019 -7.994 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.069 -2.764 -8.543 1.00 0.00 N ATOM 0 H ARG A 58 8.448 -1.635 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 58 11.103 -2.008 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.799 -3.126 -3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.120 -4.133 -2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.101 -4.445 -3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.181 -2.892 -4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.289 -4.924 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.664 -5.213 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 58 10.427 -2.450 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.948 -5.761 -7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.340 -5.251 -8.952 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.934 -1.790 -8.273 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.332 -2.996 -9.501 1.00 0.00 H new ATOM 879 N THR A 59 11.879 -0.221 -3.005 1.00 0.00 N ATOM 880 CA THR A 59 12.235 0.967 -3.763 1.00 0.00 C ATOM 881 C THR A 59 12.257 0.656 -5.261 1.00 0.00 C ATOM 882 O THR A 59 12.139 -0.501 -5.660 1.00 0.00 O ATOM 883 CB THR A 59 13.573 1.484 -3.230 1.00 0.00 C ATOM 884 OG1 THR A 59 13.461 1.345 -1.816 1.00 0.00 O ATOM 885 CG2 THR A 59 13.746 2.989 -3.444 1.00 0.00 C ATOM 0 H THR A 59 12.581 -0.522 -2.329 1.00 0.00 H new ATOM 0 HA THR A 59 11.492 1.755 -3.637 1.00 0.00 H new ATOM 0 HB THR A 59 14.389 0.952 -3.719 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.287 1.656 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.711 3.304 -3.048 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.700 3.213 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.950 3.524 -2.927 1.00 0.00 H new ATOM 893 N SER A 60 12.408 1.711 -6.049 1.00 0.00 N ATOM 894 CA SER A 60 12.446 1.565 -7.494 1.00 0.00 C ATOM 895 C SER A 60 13.605 0.651 -7.897 1.00 0.00 C ATOM 896 O SER A 60 13.557 0.008 -8.944 1.00 0.00 O ATOM 897 CB SER A 60 12.579 2.926 -8.181 1.00 0.00 C ATOM 898 OG SER A 60 13.689 2.967 -9.074 1.00 0.00 O ATOM 0 H SER A 60 12.505 2.670 -5.714 1.00 0.00 H new ATOM 0 HA SER A 60 11.508 1.115 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.664 3.146 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.692 3.704 -7.426 1.00 0.00 H new ATOM 0 HG SER A 60 13.739 3.851 -9.494 1.00 0.00 H new ATOM 904 N SER A 61 14.620 0.624 -7.046 1.00 0.00 N ATOM 905 CA SER A 61 15.789 -0.200 -7.300 1.00 0.00 C ATOM 906 C SER A 61 16.403 -0.660 -5.977 1.00 0.00 C ATOM 907 O SER A 61 17.136 0.089 -5.334 1.00 0.00 O ATOM 908 CB SER A 61 16.826 0.558 -8.131 1.00 0.00 C ATOM 909 OG SER A 61 16.529 0.515 -9.524 1.00 0.00 O ATOM 0 H SER A 61 14.657 1.160 -6.179 1.00 0.00 H new ATOM 0 HA SER A 61 15.474 -1.074 -7.870 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.867 1.596 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.813 0.130 -7.957 1.00 0.00 H new ATOM 0 HG SER A 61 15.592 0.257 -9.651 1.00 0.00 H new ATOM 915 N GLN A 62 16.080 -1.891 -5.608 1.00 0.00 N ATOM 916 CA GLN A 62 16.591 -2.461 -4.373 1.00 0.00 C ATOM 917 C GLN A 62 17.115 -3.877 -4.618 1.00 0.00 C ATOM 918 O GLN A 62 17.309 -4.282 -5.763 1.00 0.00 O ATOM 919 CB GLN A 62 15.518 -2.454 -3.281 1.00 0.00 C ATOM 920 CG GLN A 62 16.000 -1.697 -2.043 1.00 0.00 C ATOM 921 CD GLN A 62 15.235 -2.143 -0.795 1.00 0.00 C ATOM 922 OE1 GLN A 62 14.027 -2.313 -0.804 1.00 0.00 O ATOM 923 NE2 GLN A 62 16.004 -2.321 0.276 1.00 0.00 N ATOM 0 H GLN A 62 15.470 -2.510 -6.143 1.00 0.00 H new ATOM 0 HA GLN A 62 17.420 -1.844 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.608 -1.991 -3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.264 -3.479 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.067 -1.868 -1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.866 -0.626 -2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.009 -2.161 0.214 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.588 -2.618 1.159 1.00 0.00 H new ATOM 932 N ASN A 63 17.330 -4.592 -3.523 1.00 0.00 N ATOM 933 CA ASN A 63 17.828 -5.954 -3.605 1.00 0.00 C ATOM 934 C ASN A 63 16.652 -6.929 -3.516 1.00 0.00 C ATOM 935 O ASN A 63 16.211 -7.469 -4.529 1.00 0.00 O ATOM 936 CB ASN A 63 18.784 -6.261 -2.451 1.00 0.00 C ATOM 937 CG ASN A 63 20.151 -5.615 -2.684 1.00 0.00 C ATOM 938 OD1 ASN A 63 20.309 -4.707 -3.484 1.00 0.00 O ATOM 939 ND2 ASN A 63 21.128 -6.131 -1.944 1.00 0.00 N ATOM 0 H ASN A 63 17.168 -4.253 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 63 18.358 -6.063 -4.551 1.00 0.00 H new ATOM 0 HB2 ASN A 63 18.360 -5.895 -1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.901 -7.340 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 63 22.077 -5.767 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.928 -6.890 -1.293 1.00 0.00 H new ATOM 946 N ASN A 64 16.177 -7.124 -2.295 1.00 0.00 N ATOM 947 CA ASN A 64 15.061 -8.024 -2.060 1.00 0.00 C ATOM 948 C ASN A 64 13.946 -7.269 -1.334 1.00 0.00 C ATOM 949 O ASN A 64 14.176 -6.677 -0.281 1.00 0.00 O ATOM 950 CB ASN A 64 15.480 -9.205 -1.183 1.00 0.00 C ATOM 951 CG ASN A 64 16.144 -8.722 0.107 1.00 0.00 C ATOM 952 OD1 ASN A 64 15.530 -8.637 1.158 1.00 0.00 O ATOM 953 ND2 ASN A 64 17.430 -8.410 -0.030 1.00 0.00 N ATOM 0 H ASN A 64 16.545 -6.674 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 64 14.719 -8.396 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.607 -9.811 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.170 -9.845 -1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.962 -8.077 0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 64 17.884 -8.504 -0.939 1.00 0.00 H new ATOM 960 N VAL A 65 12.762 -7.314 -1.927 1.00 0.00 N ATOM 961 CA VAL A 65 11.610 -6.641 -1.350 1.00 0.00 C ATOM 962 C VAL A 65 11.345 -7.202 0.049 1.00 0.00 C ATOM 963 O VAL A 65 11.701 -8.343 0.341 1.00 0.00 O ATOM 964 CB VAL A 65 10.406 -6.770 -2.284 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.055 -8.239 -2.526 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.202 -6.002 -1.736 1.00 0.00 C ATOM 0 H VAL A 65 12.575 -7.806 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 65 11.806 -5.574 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 65 10.677 -6.328 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.196 -8.303 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.906 -8.746 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.813 -8.716 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.360 -6.110 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.930 -6.401 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.457 -4.947 -1.639 1.00 0.00 H new ATOM 976 N GLN A 66 10.722 -6.375 0.875 1.00 0.00 N ATOM 977 CA GLN A 66 10.405 -6.775 2.236 1.00 0.00 C ATOM 978 C GLN A 66 8.944 -7.219 2.332 1.00 0.00 C ATOM 979 O GLN A 66 8.211 -7.171 1.345 1.00 0.00 O ATOM 980 CB GLN A 66 10.700 -5.643 3.223 1.00 0.00 C ATOM 981 CG GLN A 66 12.205 -5.498 3.457 1.00 0.00 C ATOM 982 CD GLN A 66 12.499 -5.109 4.907 1.00 0.00 C ATOM 983 OE1 GLN A 66 11.796 -5.481 5.832 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.576 -4.342 5.053 1.00 0.00 N ATOM 0 H GLN A 66 10.428 -5.430 0.629 1.00 0.00 H new ATOM 0 HA GLN A 66 11.040 -7.620 2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.296 -4.706 2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.199 -5.842 4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.706 -6.437 3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.610 -4.742 2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.121 -4.067 4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.857 -4.029 5.982 1.00 0.00 H new ATOM 993 N VAL A 67 8.565 -7.641 3.529 1.00 0.00 N ATOM 994 CA VAL A 67 7.204 -8.094 3.766 1.00 0.00 C ATOM 995 C VAL A 67 6.700 -7.508 5.087 1.00 0.00 C ATOM 996 O VAL A 67 7.476 -7.317 6.022 1.00 0.00 O ATOM 997 CB VAL A 67 7.147 -9.622 3.730 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.804 -10.133 4.253 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.422 -10.147 2.319 1.00 0.00 C ATOM 0 H VAL A 67 9.176 -7.679 4.345 1.00 0.00 H new ATOM 0 HA VAL A 67 6.540 -7.739 2.978 1.00 0.00 H new ATOM 0 HB VAL A 67 7.929 -10.002 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.790 -11.222 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.665 -9.803 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.998 -9.739 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.376 -11.236 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.673 -9.753 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.413 -9.826 1.998 1.00 0.00 H new ATOM 1009 N LEU A 68 5.403 -7.240 5.122 1.00 0.00 N ATOM 1010 CA LEU A 68 4.786 -6.680 6.312 1.00 0.00 C ATOM 1011 C LEU A 68 3.502 -7.451 6.626 1.00 0.00 C ATOM 1012 O LEU A 68 2.609 -7.545 5.785 1.00 0.00 O ATOM 1013 CB LEU A 68 4.575 -5.174 6.148 1.00 0.00 C ATOM 1014 CG LEU A 68 3.343 -4.590 6.843 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.640 -3.199 7.408 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.136 -4.580 5.903 1.00 0.00 C ATOM 0 H LEU A 68 4.762 -7.400 4.345 1.00 0.00 H new ATOM 0 HA LEU A 68 5.445 -6.794 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.459 -4.660 6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.507 -4.950 5.083 1.00 0.00 H new ATOM 0 HG LEU A 68 3.090 -5.233 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.748 -2.807 7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.451 -3.266 8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.933 -2.532 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.274 -4.160 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.363 -3.973 5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.910 -5.599 5.590 1.00 0.00 H new ATOM 1028 N ASN A 69 3.450 -7.982 7.839 1.00 0.00 N ATOM 1029 CA ASN A 69 2.290 -8.741 8.274 1.00 0.00 C ATOM 1030 C ASN A 69 1.159 -7.775 8.634 1.00 0.00 C ATOM 1031 O ASN A 69 1.332 -6.899 9.480 1.00 0.00 O ATOM 1032 CB ASN A 69 2.612 -9.575 9.516 1.00 0.00 C ATOM 1033 CG ASN A 69 2.692 -11.063 9.171 1.00 0.00 C ATOM 1034 OD1 ASN A 69 1.833 -11.855 9.522 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.768 -11.398 8.465 1.00 0.00 N ATOM 0 H ASN A 69 4.192 -7.902 8.534 1.00 0.00 H new ATOM 0 HA ASN A 69 1.996 -9.404 7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.559 -9.246 9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.846 -9.415 10.275 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.912 -12.368 8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.449 -10.685 8.204 1.00 0.00 H new ATOM 1042 N THR A 70 0.027 -7.968 7.973 1.00 0.00 N ATOM 1043 CA THR A 70 -1.132 -7.124 8.213 1.00 0.00 C ATOM 1044 C THR A 70 -2.407 -7.968 8.248 1.00 0.00 C ATOM 1045 O THR A 70 -2.720 -8.667 7.285 1.00 0.00 O ATOM 1046 CB THR A 70 -1.154 -6.035 7.139 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.513 -5.608 7.105 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.902 -6.590 5.736 1.00 0.00 C ATOM 0 H THR A 70 -0.113 -8.696 7.272 1.00 0.00 H new ATOM 0 HA THR A 70 -1.073 -6.639 9.187 1.00 0.00 H new ATOM 0 HB THR A 70 -0.401 -5.282 7.371 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.572 -4.739 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.928 -5.775 5.012 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.076 -7.071 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.673 -7.319 5.489 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.109 -7.876 9.368 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.344 -8.623 9.541 1.00 0.00 C ATOM 1058 C ASN A 71 -5.526 -7.751 9.112 1.00 0.00 C ATOM 1059 O ASN A 71 -6.649 -7.952 9.572 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.551 -9.012 11.006 1.00 0.00 C ATOM 1061 CG ASN A 71 -3.786 -10.293 11.346 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -2.746 -10.594 10.783 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -4.358 -11.029 12.295 1.00 0.00 N ATOM 0 H ASN A 71 -2.846 -7.296 10.165 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.281 -9.526 8.933 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.215 -8.201 11.652 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.614 -9.156 11.201 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.925 -11.904 12.592 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.229 -10.719 12.725 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.233 -6.802 8.235 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.258 -5.899 7.738 1.00 0.00 C ATOM 1072 C LYS A 72 -6.125 -5.770 6.220 1.00 0.00 C ATOM 1073 O LYS A 72 -5.303 -6.447 5.605 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.196 -4.561 8.477 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.761 -4.036 8.542 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.577 -3.086 9.727 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.587 -1.970 9.388 1.00 0.00 C ATOM 1078 NZ LYS A 72 -2.670 -1.727 10.524 1.00 0.00 N ATOM 0 H LYS A 72 -4.300 -6.639 7.856 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.251 -6.302 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.831 -3.833 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.589 -4.681 9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.068 -4.872 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.517 -3.518 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.538 -2.653 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.219 -3.644 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.013 -2.242 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.129 -1.055 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.005 -0.967 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.220 -1.447 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.139 -2.596 10.734 1.00 0.00 H new ATOM 1092 N THR A 73 -6.947 -4.895 5.658 1.00 0.00 N ATOM 1093 CA THR A 73 -6.932 -4.669 4.223 1.00 0.00 C ATOM 1094 C THR A 73 -6.122 -3.414 3.890 1.00 0.00 C ATOM 1095 O THR A 73 -6.101 -2.971 2.743 1.00 0.00 O ATOM 1096 CB THR A 73 -8.382 -4.602 3.740 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.103 -4.118 4.870 1.00 0.00 O ATOM 1098 CG2 THR A 73 -8.978 -5.988 3.484 1.00 0.00 C ATOM 0 H THR A 73 -7.627 -4.334 6.171 1.00 0.00 H new ATOM 0 HA THR A 73 -6.437 -5.486 3.699 1.00 0.00 H new ATOM 0 HB THR A 73 -8.433 -4.010 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.768 -3.230 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.008 -5.884 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.393 -6.500 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.958 -6.569 4.406 1.00 0.00 H new ATOM 1106 N SER A 74 -5.476 -2.876 4.914 1.00 0.00 N ATOM 1107 CA SER A 74 -4.667 -1.681 4.745 1.00 0.00 C ATOM 1108 C SER A 74 -3.278 -1.900 5.348 1.00 0.00 C ATOM 1109 O SER A 74 -2.956 -3.001 5.791 1.00 0.00 O ATOM 1110 CB SER A 74 -5.339 -0.466 5.386 1.00 0.00 C ATOM 1111 OG SER A 74 -5.802 -0.745 6.704 1.00 0.00 O ATOM 0 H SER A 74 -5.496 -3.246 5.864 1.00 0.00 H new ATOM 0 HA SER A 74 -4.566 -1.485 3.678 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.633 0.364 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.178 -0.147 4.767 1.00 0.00 H new ATOM 0 HG SER A 74 -6.223 0.056 7.079 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.493 -0.833 5.347 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.146 -0.894 5.889 1.00 0.00 C ATOM 1119 C ALA A 75 -0.572 0.522 5.979 1.00 0.00 C ATOM 1120 O ALA A 75 -1.203 1.480 5.536 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.288 -1.816 5.021 1.00 0.00 C ATOM 0 H ALA A 75 -2.764 0.079 4.979 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.156 -1.310 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.722 -1.862 5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.722 -2.816 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.252 -1.428 4.003 1.00 0.00 H new ATOM 1127 N GLU A 76 0.617 0.608 6.557 1.00 0.00 N ATOM 1128 CA GLU A 76 1.282 1.890 6.711 1.00 0.00 C ATOM 1129 C GLU A 76 2.796 1.725 6.558 1.00 0.00 C ATOM 1130 O GLU A 76 3.434 1.050 7.364 1.00 0.00 O ATOM 1131 CB GLU A 76 0.934 2.531 8.056 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.508 3.041 8.063 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.010 3.248 9.494 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.761 2.342 10.319 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.631 4.307 9.730 1.00 0.00 O ATOM 0 H GLU A 76 1.137 -0.189 6.924 1.00 0.00 H new ATOM 0 HA GLU A 76 0.927 2.557 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.070 1.803 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.617 3.357 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.568 3.980 7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.152 2.329 7.547 1.00 0.00 H new ATOM 1142 N LEU A 77 3.325 2.352 5.518 1.00 0.00 N ATOM 1143 CA LEU A 77 4.752 2.283 5.249 1.00 0.00 C ATOM 1144 C LEU A 77 5.390 3.639 5.554 1.00 0.00 C ATOM 1145 O LEU A 77 4.709 4.567 5.988 1.00 0.00 O ATOM 1146 CB LEU A 77 5.005 1.791 3.823 1.00 0.00 C ATOM 1147 CG LEU A 77 4.477 0.393 3.492 1.00 0.00 C ATOM 1148 CD1 LEU A 77 5.143 -0.667 4.371 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.951 0.346 3.593 1.00 0.00 C ATOM 0 H LEU A 77 2.792 2.910 4.851 1.00 0.00 H new ATOM 0 HA LEU A 77 5.228 1.552 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.555 2.501 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.080 1.805 3.640 1.00 0.00 H new ATOM 0 HG LEU A 77 4.739 0.164 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.750 -1.651 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.220 -0.652 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.934 -0.454 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.601 -0.658 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.645 0.604 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.518 1.058 2.891 1.00 0.00 H new ATOM 1161 N VAL A 78 6.691 3.712 5.316 1.00 0.00 N ATOM 1162 CA VAL A 78 7.430 4.940 5.559 1.00 0.00 C ATOM 1163 C VAL A 78 7.505 5.750 4.264 1.00 0.00 C ATOM 1164 O VAL A 78 7.366 5.199 3.173 1.00 0.00 O ATOM 1165 CB VAL A 78 8.807 4.615 6.142 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.678 3.886 7.481 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.643 3.802 5.152 1.00 0.00 C ATOM 0 H VAL A 78 7.253 2.940 4.957 1.00 0.00 H new ATOM 0 HA VAL A 78 6.916 5.555 6.297 1.00 0.00 H new ATOM 0 HB VAL A 78 9.325 5.557 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.671 3.667 7.873 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.140 4.517 8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.131 2.954 7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.617 3.584 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.130 2.867 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.778 4.374 4.234 1.00 0.00 H new ATOM 1177 N LEU A 79 7.724 7.047 4.427 1.00 0.00 N ATOM 1178 CA LEU A 79 7.818 7.939 3.284 1.00 0.00 C ATOM 1179 C LEU A 79 9.064 7.586 2.469 1.00 0.00 C ATOM 1180 O LEU A 79 10.104 7.247 3.032 1.00 0.00 O ATOM 1181 CB LEU A 79 7.775 9.399 3.739 1.00 0.00 C ATOM 1182 CG LEU A 79 8.696 9.767 4.904 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.128 9.296 4.640 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.631 11.266 5.202 1.00 0.00 C ATOM 0 H LEU A 79 7.839 7.501 5.333 1.00 0.00 H new ATOM 0 HA LEU A 79 6.958 7.808 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.028 10.031 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.750 9.640 4.022 1.00 0.00 H new ATOM 0 HG LEU A 79 8.345 9.247 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.762 9.570 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.138 8.213 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.505 9.769 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.295 11.501 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.942 11.826 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.609 11.541 5.464 1.00 0.00 H new ATOM 1196 N PRO A 80 8.914 7.679 1.120 1.00 0.00 N ATOM 1197 CA PRO A 80 10.015 7.374 0.222 1.00 0.00 C ATOM 1198 C PRO A 80 11.050 8.500 0.220 1.00 0.00 C ATOM 1199 O PRO A 80 10.702 9.667 0.046 1.00 0.00 O ATOM 1200 CB PRO A 80 9.366 7.161 -1.136 1.00 0.00 C ATOM 1201 CG PRO A 80 7.993 7.807 -1.049 1.00 0.00 C ATOM 1202 CD PRO A 80 7.698 8.077 0.418 1.00 0.00 C ATOM 0 HA PRO A 80 10.573 6.488 0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.961 7.615 -1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.284 6.099 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.971 8.735 -1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.235 7.151 -1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.469 9.129 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.837 7.503 0.761 1.00 0.00 H new ATOM 1210 N ILE A 81 12.301 8.111 0.415 1.00 0.00 N ATOM 1211 CA ILE A 81 13.389 9.074 0.438 1.00 0.00 C ATOM 1212 C ILE A 81 13.905 9.288 -0.986 1.00 0.00 C ATOM 1213 O ILE A 81 13.845 10.399 -1.512 1.00 0.00 O ATOM 1214 CB ILE A 81 14.473 8.634 1.425 1.00 0.00 C ATOM 1215 CG1 ILE A 81 13.861 8.236 2.769 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.544 9.716 1.580 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.387 6.781 2.747 1.00 0.00 C ATOM 0 H ILE A 81 12.586 7.142 0.559 1.00 0.00 H new ATOM 0 HA ILE A 81 13.035 10.040 0.798 1.00 0.00 H new ATOM 0 HB ILE A 81 14.965 7.749 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 81 14.597 8.370 3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.022 8.892 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.302 9.379 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.009 9.909 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.085 10.632 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.956 6.524 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.633 6.656 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.233 6.126 2.541 1.00 0.00 H new ATOM 1229 N LYS A 82 14.400 8.207 -1.571 1.00 0.00 N ATOM 1230 CA LYS A 82 14.926 8.263 -2.925 1.00 0.00 C ATOM 1231 C LYS A 82 14.376 7.083 -3.729 1.00 0.00 C ATOM 1232 O LYS A 82 14.096 6.023 -3.172 1.00 0.00 O ATOM 1233 CB LYS A 82 16.454 8.334 -2.903 1.00 0.00 C ATOM 1234 CG LYS A 82 16.982 9.139 -4.092 1.00 0.00 C ATOM 1235 CD LYS A 82 17.810 10.336 -3.619 1.00 0.00 C ATOM 1236 CE LYS A 82 16.916 11.412 -3.001 1.00 0.00 C ATOM 1237 NZ LYS A 82 16.329 12.267 -4.057 1.00 0.00 N ATOM 0 H LYS A 82 14.448 7.287 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 82 14.595 9.173 -3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.787 8.793 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.869 7.326 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.593 8.498 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.147 9.487 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.547 10.006 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.362 10.756 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.121 10.944 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.497 12.024 -2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.725 12.992 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.091 12.728 -4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.758 11.682 -4.700 1.00 0.00 H new ATOM 1251 N GLU A 83 14.239 7.307 -5.028 1.00 0.00 N ATOM 1252 CA GLU A 83 13.729 6.276 -5.915 1.00 0.00 C ATOM 1253 C GLU A 83 12.272 5.956 -5.574 1.00 0.00 C ATOM 1254 O GLU A 83 11.895 5.936 -4.403 1.00 0.00 O ATOM 1255 CB GLU A 83 14.596 5.017 -5.850 1.00 0.00 C ATOM 1256 CG GLU A 83 15.676 5.038 -6.934 1.00 0.00 C ATOM 1257 CD GLU A 83 17.071 4.902 -6.321 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.623 5.953 -5.929 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.554 3.751 -6.259 1.00 0.00 O ATOM 0 H GLU A 83 14.472 8.187 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 83 13.769 6.652 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.063 4.943 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.970 4.133 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.504 4.225 -7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.612 5.968 -7.498 1.00 0.00 H new ATOM 1266 N ASP A 84 11.493 5.712 -6.618 1.00 0.00 N ATOM 1267 CA ASP A 84 10.086 5.394 -6.443 1.00 0.00 C ATOM 1268 C ASP A 84 9.949 4.221 -5.471 1.00 0.00 C ATOM 1269 O ASP A 84 10.949 3.651 -5.036 1.00 0.00 O ATOM 1270 CB ASP A 84 9.445 4.985 -7.771 1.00 0.00 C ATOM 1271 CG ASP A 84 9.208 6.132 -8.755 1.00 0.00 C ATOM 1272 OD1 ASP A 84 9.880 7.172 -8.588 1.00 0.00 O ATOM 1273 OD2 ASP A 84 8.359 5.943 -9.653 1.00 0.00 O ATOM 0 H ASP A 84 11.809 5.728 -7.588 1.00 0.00 H new ATOM 0 HA ASP A 84 9.585 6.282 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.081 4.241 -8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.490 4.502 -7.563 1.00 0.00 H new ATOM 1278 N TYR A 85 8.704 3.895 -5.158 1.00 0.00 N ATOM 1279 CA TYR A 85 8.424 2.800 -4.245 1.00 0.00 C ATOM 1280 C TYR A 85 7.406 1.830 -4.848 1.00 0.00 C ATOM 1281 O TYR A 85 6.291 2.224 -5.184 1.00 0.00 O ATOM 1282 CB TYR A 85 7.821 3.439 -2.992 1.00 0.00 C ATOM 1283 CG TYR A 85 8.077 2.650 -1.707 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.316 2.087 -1.477 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.069 2.501 -0.776 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.557 1.344 -0.267 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.309 1.758 0.434 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.541 1.217 0.628 1.00 0.00 C ATOM 1289 OH TYR A 85 8.769 0.515 1.771 1.00 0.00 O ATOM 0 H TYR A 85 7.877 4.370 -5.520 1.00 0.00 H new ATOM 0 HA TYR A 85 9.333 2.237 -4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.228 4.443 -2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.745 3.546 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.105 2.204 -2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.100 2.942 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.522 0.898 -0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.529 1.633 1.170 1.00 0.00 H new ATOM 0 HH TYR A 85 8.298 -0.343 1.727 1.00 0.00 H new ATOM 1299 N ILE A 86 7.827 0.579 -4.967 1.00 0.00 N ATOM 1300 CA ILE A 86 6.966 -0.451 -5.523 1.00 0.00 C ATOM 1301 C ILE A 86 6.332 -1.251 -4.384 1.00 0.00 C ATOM 1302 O ILE A 86 7.031 -1.936 -3.638 1.00 0.00 O ATOM 1303 CB ILE A 86 7.739 -1.312 -6.524 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.029 -0.534 -7.809 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.002 -2.624 -6.802 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.633 0.837 -7.495 1.00 0.00 C ATOM 0 H ILE A 86 8.753 0.256 -4.688 1.00 0.00 H new ATOM 0 HA ILE A 86 6.150 -0.001 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 86 8.701 -1.570 -6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.716 -1.103 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.108 -0.408 -8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.572 -3.217 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.891 -3.183 -5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.017 -2.407 -7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.830 1.370 -8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.934 1.412 -6.888 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.566 0.707 -6.947 1.00 0.00 H new ATOM 1318 N ILE A 87 5.016 -1.137 -4.284 1.00 0.00 N ATOM 1319 CA ILE A 87 4.280 -1.842 -3.248 1.00 0.00 C ATOM 1320 C ILE A 87 3.424 -2.935 -3.890 1.00 0.00 C ATOM 1321 O ILE A 87 2.781 -2.705 -4.913 1.00 0.00 O ATOM 1322 CB ILE A 87 3.480 -0.856 -2.394 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.243 0.459 -2.215 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.092 -1.481 -1.053 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.870 1.133 -0.893 1.00 0.00 C ATOM 0 H ILE A 87 4.440 -0.567 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 87 4.968 -2.337 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 87 2.554 -0.622 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.316 0.268 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.020 1.129 -3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.524 -0.759 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.481 -2.367 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.993 -1.763 -0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.426 2.065 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.801 1.345 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.117 0.470 -0.064 1.00 0.00 H new ATOM 1337 N GLU A 88 3.442 -4.102 -3.262 1.00 0.00 N ATOM 1338 CA GLU A 88 2.675 -5.231 -3.759 1.00 0.00 C ATOM 1339 C GLU A 88 1.867 -5.864 -2.625 1.00 0.00 C ATOM 1340 O GLU A 88 2.428 -6.270 -1.608 1.00 0.00 O ATOM 1341 CB GLU A 88 3.588 -6.264 -4.424 1.00 0.00 C ATOM 1342 CG GLU A 88 3.695 -6.013 -5.929 1.00 0.00 C ATOM 1343 CD GLU A 88 3.439 -7.298 -6.719 1.00 0.00 C ATOM 1344 OE1 GLU A 88 3.922 -8.354 -6.256 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.766 -7.196 -7.767 1.00 0.00 O ATOM 0 H GLU A 88 3.976 -4.290 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 88 1.980 -4.868 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.580 -6.222 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.199 -7.267 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.976 -5.250 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.686 -5.627 -6.167 1.00 0.00 H new ATOM 1352 N VAL A 89 0.560 -5.928 -2.837 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.332 -6.505 -1.845 1.00 0.00 C ATOM 1354 C VAL A 89 -0.541 -7.988 -2.156 1.00 0.00 C ATOM 1355 O VAL A 89 -0.698 -8.368 -3.315 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.640 -5.714 -1.796 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.557 -6.240 -0.689 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.370 -4.218 -1.619 1.00 0.00 C ATOM 0 H VAL A 89 0.098 -5.590 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 89 0.109 -6.441 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.151 -5.852 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.480 -5.661 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.789 -7.288 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.055 -6.146 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.317 -3.679 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.827 -4.054 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.773 -3.855 -2.456 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.538 -8.787 -1.099 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.726 -10.221 -1.243 1.00 0.00 C ATOM 1370 C LYS A 90 -1.629 -10.729 -0.118 1.00 0.00 C ATOM 1371 O LYS A 90 -1.588 -10.211 0.997 1.00 0.00 O ATOM 1372 CB LYS A 90 0.626 -10.934 -1.317 1.00 0.00 C ATOM 1373 CG LYS A 90 0.992 -11.269 -2.764 1.00 0.00 C ATOM 1374 CD LYS A 90 1.647 -12.648 -2.860 1.00 0.00 C ATOM 1375 CE LYS A 90 2.927 -12.590 -3.694 1.00 0.00 C ATOM 1376 NZ LYS A 90 2.749 -13.323 -4.968 1.00 0.00 N ATOM 0 H LYS A 90 -0.408 -8.468 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.231 -10.446 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.399 -10.302 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.591 -11.849 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.096 -11.244 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.672 -10.512 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.877 -13.016 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.949 -13.356 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.188 -11.552 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.755 -13.022 -3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.567 -13.148 -5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.673 -14.342 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.882 -12.995 -5.439 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.423 -11.736 -0.448 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.334 -12.320 0.521 1.00 0.00 C ATOM 1392 C ALA A 91 -2.704 -13.584 1.111 1.00 0.00 C ATOM 1393 O ALA A 91 -2.018 -14.325 0.409 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.682 -12.598 -0.148 1.00 0.00 C ATOM 0 H ALA A 91 -2.454 -12.163 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.515 -11.628 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.366 -13.036 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.101 -11.665 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.541 -13.292 -0.977 1.00 0.00 H new ATOM 1400 N THR A 92 -2.960 -13.790 2.394 1.00 0.00 N ATOM 1401 CA THR A 92 -2.427 -14.952 3.086 1.00 0.00 C ATOM 1402 C THR A 92 -3.557 -15.908 3.473 1.00 0.00 C ATOM 1403 O THR A 92 -4.647 -15.471 3.838 1.00 0.00 O ATOM 1404 CB THR A 92 -1.614 -14.456 4.283 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.592 -13.922 5.171 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.731 -13.255 3.936 1.00 0.00 C ATOM 0 H THR A 92 -3.529 -13.172 2.973 1.00 0.00 H new ATOM 0 HA THR A 92 -1.764 -15.528 2.440 1.00 0.00 H new ATOM 0 HB THR A 92 -0.991 -15.268 4.658 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.145 -13.508 5.939 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.176 -12.944 4.821 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.031 -13.534 3.148 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.356 -12.431 3.591 1.00 0.00 H new ATOM 1414 N THR A 93 -3.258 -17.195 3.378 1.00 0.00 N ATOM 1415 CA THR A 93 -4.235 -18.217 3.714 1.00 0.00 C ATOM 1416 C THR A 93 -3.576 -19.345 4.510 1.00 0.00 C ATOM 1417 O THR A 93 -2.358 -19.357 4.683 1.00 0.00 O ATOM 1418 CB THR A 93 -4.888 -18.692 2.414 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.790 -18.889 1.526 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.718 -17.597 1.741 1.00 0.00 C ATOM 0 H THR A 93 -2.353 -17.554 3.073 1.00 0.00 H new ATOM 0 HA THR A 93 -5.016 -17.819 4.361 1.00 0.00 H new ATOM 0 HB THR A 93 -5.523 -19.554 2.621 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.767 -19.825 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.159 -17.987 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.511 -17.275 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.076 -16.748 1.503 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.409 -20.264 4.974 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.922 -21.393 5.747 1.00 0.00 C ATOM 1430 C ASP A 94 -3.058 -22.284 4.853 1.00 0.00 C ATOM 1431 O ASP A 94 -2.376 -23.184 5.341 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.082 -22.239 6.277 1.00 0.00 C ATOM 1433 CG ASP A 94 -4.764 -23.723 6.472 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.313 -24.065 7.586 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -4.980 -24.482 5.502 1.00 0.00 O ATOM 0 H ASP A 94 -5.419 -20.250 4.829 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.346 -21.003 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.408 -21.824 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.921 -22.150 5.587 1.00 0.00 H new ATOM 1440 N GLY A 95 -3.114 -22.002 3.560 1.00 0.00 N ATOM 1441 CA GLY A 95 -2.345 -22.767 2.593 1.00 0.00 C ATOM 1442 C GLY A 95 -0.997 -22.099 2.313 1.00 0.00 C ATOM 1443 O GLY A 95 0.009 -22.780 2.119 1.00 0.00 O ATOM 0 H GLY A 95 -3.680 -21.254 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.183 -23.777 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.909 -22.859 1.665 1.00 0.00 H new ATOM 1447 N GLY A 96 -1.020 -20.774 2.302 1.00 0.00 N ATOM 1448 CA GLY A 96 0.188 -20.007 2.050 1.00 0.00 C ATOM 1449 C GLY A 96 -0.151 -18.582 1.606 1.00 0.00 C ATOM 1450 O GLY A 96 -1.033 -17.943 2.177 1.00 0.00 O ATOM 0 H GLY A 96 -1.856 -20.212 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.798 -19.975 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.782 -20.500 1.281 1.00 0.00 H new ATOM 1454 N ASP A 97 0.568 -18.126 0.590 1.00 0.00 N ATOM 1455 CA ASP A 97 0.356 -16.789 0.063 1.00 0.00 C ATOM 1456 C ASP A 97 -0.655 -16.853 -1.084 1.00 0.00 C ATOM 1457 O ASP A 97 -1.127 -17.931 -1.441 1.00 0.00 O ATOM 1458 CB ASP A 97 1.657 -16.199 -0.485 1.00 0.00 C ATOM 1459 CG ASP A 97 2.907 -16.514 0.340 1.00 0.00 C ATOM 1460 OD1 ASP A 97 2.901 -16.156 1.538 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.839 -17.105 -0.246 1.00 0.00 O ATOM 0 H ASP A 97 1.298 -18.659 0.118 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.010 -16.161 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.807 -16.568 -1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.548 -15.117 -0.553 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.956 -15.684 -1.630 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.902 -15.593 -2.730 1.00 0.00 C ATOM 1468 C GLY A 98 -1.273 -14.894 -3.937 1.00 0.00 C ATOM 1469 O GLY A 98 -0.101 -15.107 -4.242 1.00 0.00 O ATOM 0 H GLY A 98 -0.562 -14.792 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.231 -16.592 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.788 -15.045 -2.408 1.00 0.00 H new ATOM 1473 N THR A 99 -2.082 -14.072 -4.591 1.00 0.00 N ATOM 1474 CA THR A 99 -1.620 -13.340 -5.758 1.00 0.00 C ATOM 1475 C THR A 99 -1.233 -11.911 -5.372 1.00 0.00 C ATOM 1476 O THR A 99 -1.818 -11.331 -4.457 1.00 0.00 O ATOM 1477 CB THR A 99 -2.716 -13.407 -6.823 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.128 -14.771 -6.812 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.173 -13.193 -8.237 1.00 0.00 C ATOM 0 H THR A 99 -3.054 -13.897 -4.335 1.00 0.00 H new ATOM 0 HA THR A 99 -0.717 -13.787 -6.173 1.00 0.00 H new ATOM 0 HB THR A 99 -3.476 -12.656 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.839 -14.903 -7.473 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.992 -13.250 -8.954 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.703 -12.212 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.437 -13.964 -8.465 1.00 0.00 H new ATOM 1487 N SER A 100 -0.252 -11.383 -6.089 1.00 0.00 N ATOM 1488 CA SER A 100 0.219 -10.033 -5.833 1.00 0.00 C ATOM 1489 C SER A 100 -0.472 -9.049 -6.779 1.00 0.00 C ATOM 1490 O SER A 100 -0.405 -9.204 -7.998 1.00 0.00 O ATOM 1491 CB SER A 100 1.739 -9.940 -5.988 1.00 0.00 C ATOM 1492 OG SER A 100 2.120 -9.609 -7.321 1.00 0.00 O ATOM 0 H SER A 100 0.230 -11.866 -6.847 1.00 0.00 H new ATOM 0 HA SER A 100 -0.030 -9.774 -4.804 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.128 -9.187 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.191 -10.891 -5.707 1.00 0.00 H new ATOM 0 HG SER A 100 3.092 -9.491 -7.364 1.00 0.00 H new ATOM 1498 N SER A 101 -1.120 -8.059 -6.183 1.00 0.00 N ATOM 1499 CA SER A 101 -1.823 -7.051 -6.958 1.00 0.00 C ATOM 1500 C SER A 101 -0.819 -6.173 -7.707 1.00 0.00 C ATOM 1501 O SER A 101 0.363 -6.146 -7.366 1.00 0.00 O ATOM 1502 CB SER A 101 -2.715 -6.190 -6.061 1.00 0.00 C ATOM 1503 OG SER A 101 -1.963 -5.490 -5.074 1.00 0.00 O ATOM 0 H SER A 101 -1.173 -7.933 -5.172 1.00 0.00 H new ATOM 0 HA SER A 101 -2.462 -7.559 -7.680 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.263 -5.474 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.455 -6.823 -5.571 1.00 0.00 H new ATOM 0 HG SER A 101 -1.687 -4.619 -5.429 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.325 -5.476 -8.714 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.488 -4.600 -9.514 1.00 0.00 C ATOM 1511 C GLU A 102 0.371 -3.714 -8.609 1.00 0.00 C ATOM 1512 O GLU A 102 -0.157 -2.944 -7.807 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.333 -3.753 -10.468 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.808 -2.469 -9.786 1.00 0.00 C ATOM 1515 CD GLU A 102 -2.961 -1.830 -10.563 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -4.114 -2.239 -10.306 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -2.663 -0.946 -11.395 1.00 0.00 O ATOM 0 H GLU A 102 -2.306 -5.501 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 102 0.175 -5.218 -10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.748 -3.504 -11.354 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.194 -4.329 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.129 -2.691 -8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.980 -1.764 -9.712 1.00 0.00 H new ATOM 1524 N GLN A 103 1.679 -3.852 -8.767 1.00 0.00 N ATOM 1525 CA GLN A 103 2.615 -3.073 -7.974 1.00 0.00 C ATOM 1526 C GLN A 103 2.233 -1.592 -8.005 1.00 0.00 C ATOM 1527 O GLN A 103 1.878 -1.060 -9.056 1.00 0.00 O ATOM 1528 CB GLN A 103 4.050 -3.280 -8.461 1.00 0.00 C ATOM 1529 CG GLN A 103 4.457 -2.185 -9.451 1.00 0.00 C ATOM 1530 CD GLN A 103 5.839 -2.467 -10.042 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.303 -3.594 -10.094 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.469 -1.382 -10.484 1.00 0.00 N ATOM 0 H GLN A 103 2.113 -4.492 -9.432 1.00 0.00 H new ATOM 0 HA GLN A 103 2.563 -3.419 -6.942 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.731 -3.277 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.139 -4.257 -8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.721 -2.122 -10.252 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.463 -1.218 -8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.023 -0.468 -10.410 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.398 -1.464 -10.897 1.00 0.00 H new ATOM 1541 N ILE A 104 2.320 -0.967 -6.840 1.00 0.00 N ATOM 1542 CA ILE A 104 1.988 0.443 -6.720 1.00 0.00 C ATOM 1543 C ILE A 104 3.225 1.283 -7.043 1.00 0.00 C ATOM 1544 O ILE A 104 4.353 0.842 -6.827 1.00 0.00 O ATOM 1545 CB ILE A 104 1.388 0.737 -5.344 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.583 -0.459 -4.830 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.554 2.019 -5.372 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.524 -0.006 -3.876 1.00 0.00 C ATOM 0 H ILE A 104 2.616 -1.411 -5.971 1.00 0.00 H new ATOM 0 HA ILE A 104 1.219 0.716 -7.443 1.00 0.00 H new ATOM 0 HB ILE A 104 2.206 0.900 -4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.145 -0.996 -5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.247 -1.156 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.139 2.205 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.186 2.858 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.258 1.909 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.081 -0.875 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.081 0.509 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.200 0.671 -4.398 1.00 0.00 H new ATOM 1560 N ARG A 105 2.972 2.477 -7.557 1.00 0.00 N ATOM 1561 CA ARG A 105 4.051 3.383 -7.913 1.00 0.00 C ATOM 1562 C ARG A 105 3.938 4.683 -7.113 1.00 0.00 C ATOM 1563 O ARG A 105 3.116 5.541 -7.430 1.00 0.00 O ATOM 1564 CB ARG A 105 4.028 3.708 -9.407 1.00 0.00 C ATOM 1565 CG ARG A 105 5.447 3.803 -9.970 1.00 0.00 C ATOM 1566 CD ARG A 105 5.476 3.425 -11.452 1.00 0.00 C ATOM 1567 NE ARG A 105 4.239 3.890 -12.118 1.00 0.00 N ATOM 1568 CZ ARG A 105 3.835 3.476 -13.327 1.00 0.00 C ATOM 1569 NH1 ARG A 105 4.568 2.587 -14.010 1.00 0.00 N ATOM 1570 NH2 ARG A 105 2.698 3.952 -13.852 1.00 0.00 N ATOM 0 H ARG A 105 2.035 2.839 -7.736 1.00 0.00 H new ATOM 0 HA ARG A 105 4.992 2.887 -7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.472 2.938 -9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.505 4.650 -9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.825 4.817 -9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.109 3.143 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.347 3.871 -11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.572 2.344 -11.558 1.00 0.00 H new ATOM 0 HE ARG A 105 3.657 4.568 -11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.434 2.225 -13.610 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.260 2.272 -14.930 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.140 4.629 -13.332 1.00 0.00 H new ATOM 0 HH22 ARG A 105 2.390 3.637 -14.772 1.00 0.00 H new ATOM 1584 N ILE A 106 4.777 4.787 -6.093 1.00 0.00 N ATOM 1585 CA ILE A 106 4.781 5.968 -5.246 1.00 0.00 C ATOM 1586 C ILE A 106 6.096 6.725 -5.441 1.00 0.00 C ATOM 1587 O ILE A 106 7.117 6.366 -4.856 1.00 0.00 O ATOM 1588 CB ILE A 106 4.503 5.585 -3.791 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.215 4.767 -3.676 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.478 6.823 -2.893 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.266 3.831 -2.467 1.00 0.00 C ATOM 0 H ILE A 106 5.458 4.074 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 106 3.976 6.645 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 106 5.319 4.952 -3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.361 5.438 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.068 4.184 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.278 6.522 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.443 7.328 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.695 7.502 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.339 3.261 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.107 3.145 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.389 4.418 -1.557 1.00 0.00 H new ATOM 1603 N PRO A 107 6.027 7.788 -6.288 1.00 0.00 N ATOM 1604 CA PRO A 107 7.200 8.599 -6.568 1.00 0.00 C ATOM 1605 C PRO A 107 7.526 9.516 -5.388 1.00 0.00 C ATOM 1606 O PRO A 107 6.655 9.823 -4.576 1.00 0.00 O ATOM 1607 CB PRO A 107 6.856 9.362 -7.837 1.00 0.00 C ATOM 1608 CG PRO A 107 5.342 9.305 -7.960 1.00 0.00 C ATOM 1609 CD PRO A 107 4.836 8.243 -6.998 1.00 0.00 C ATOM 0 HA PRO A 107 8.101 8.002 -6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.205 10.393 -7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.336 8.911 -8.706 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.903 10.274 -7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.051 9.064 -8.982 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.097 8.652 -6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.355 7.423 -7.531 1.00 0.00 H new ATOM 1617 N ARG A 108 8.784 9.929 -5.330 1.00 0.00 N ATOM 1618 CA ARG A 108 9.236 10.805 -4.263 1.00 0.00 C ATOM 1619 C ARG A 108 8.157 11.837 -3.930 1.00 0.00 C ATOM 1620 O ARG A 108 7.523 12.389 -4.828 1.00 0.00 O ATOM 1621 CB ARG A 108 10.524 11.533 -4.656 1.00 0.00 C ATOM 1622 CG ARG A 108 11.756 10.707 -4.283 1.00 0.00 C ATOM 1623 CD ARG A 108 12.687 10.537 -5.485 1.00 0.00 C ATOM 1624 NE ARG A 108 13.210 11.854 -5.910 1.00 0.00 N ATOM 1625 CZ ARG A 108 13.969 12.046 -6.998 1.00 0.00 C ATOM 1626 NH1 ARG A 108 14.297 11.006 -7.777 1.00 0.00 N ATOM 1627 NH2 ARG A 108 14.399 13.277 -7.307 1.00 0.00 N ATOM 0 H ARG A 108 9.504 9.673 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 108 9.434 10.186 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.523 11.728 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.566 12.501 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.292 11.195 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.445 9.728 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.513 9.875 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.149 10.067 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 108 12.978 12.667 -5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.969 10.069 -7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.875 11.151 -8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.149 14.068 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.977 13.423 -8.135 1.00 0.00 H new ATOM 1641 N ILE A 109 7.981 12.066 -2.637 1.00 0.00 N ATOM 1642 CA ILE A 109 6.989 13.022 -2.175 1.00 0.00 C ATOM 1643 C ILE A 109 7.481 14.441 -2.466 1.00 0.00 C ATOM 1644 O ILE A 109 8.666 14.652 -2.717 1.00 0.00 O ATOM 1645 CB ILE A 109 6.655 12.777 -0.702 1.00 0.00 C ATOM 1646 CG1 ILE A 109 7.542 13.626 0.211 1.00 0.00 C ATOM 1647 CG2 ILE A 109 6.740 11.288 -0.361 1.00 0.00 C ATOM 1648 CD1 ILE A 109 6.780 14.843 0.738 1.00 0.00 C ATOM 0 H ILE A 109 8.508 11.606 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 109 6.052 12.891 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 109 5.625 13.089 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.893 13.022 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.425 13.955 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.498 11.141 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.032 10.733 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 109 7.750 10.927 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.433 15.429 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.452 15.458 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.911 14.510 1.306 1.00 0.00 H new ATOM 1660 N THR A 110 6.544 15.378 -2.422 1.00 0.00 N ATOM 1661 CA THR A 110 6.867 16.771 -2.677 1.00 0.00 C ATOM 1662 C THR A 110 6.623 17.614 -1.424 1.00 0.00 C ATOM 1663 O THR A 110 7.359 18.562 -1.156 1.00 0.00 O ATOM 1664 CB THR A 110 6.052 17.231 -3.888 1.00 0.00 C ATOM 1665 OG1 THR A 110 6.845 18.264 -4.468 1.00 0.00 O ATOM 1666 CG2 THR A 110 4.756 17.938 -3.486 1.00 0.00 C ATOM 0 H THR A 110 5.562 15.199 -2.214 1.00 0.00 H new ATOM 0 HA THR A 110 7.924 16.895 -2.912 1.00 0.00 H new ATOM 0 HB THR A 110 5.817 16.371 -4.516 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.391 18.618 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.216 18.244 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.136 17.257 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.992 18.817 -2.887 1.00 0.00 H new ATOM 1674 N SER A 111 5.585 17.238 -0.691 1.00 0.00 N ATOM 1675 CA SER A 111 5.234 17.948 0.528 1.00 0.00 C ATOM 1676 C SER A 111 3.857 17.496 1.018 1.00 0.00 C ATOM 1677 O SER A 111 2.890 18.253 0.946 1.00 0.00 O ATOM 1678 CB SER A 111 5.249 19.462 0.308 1.00 0.00 C ATOM 1679 OG SER A 111 6.392 20.076 0.897 1.00 0.00 O ATOM 0 H SER A 111 4.976 16.452 -0.917 1.00 0.00 H new ATOM 0 HA SER A 111 5.979 17.712 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.235 19.673 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.344 19.899 0.731 1.00 0.00 H new ATOM 0 HG SER A 111 7.195 19.819 0.398 1.00 0.00 H new ATOM 1685 N SER A 112 3.812 16.265 1.506 1.00 0.00 N ATOM 1686 CA SER A 112 2.569 15.704 2.008 1.00 0.00 C ATOM 1687 C SER A 112 1.488 15.777 0.927 1.00 0.00 C ATOM 1688 O SER A 112 0.517 16.519 1.065 1.00 0.00 O ATOM 1689 CB SER A 112 2.107 16.432 3.271 1.00 0.00 C ATOM 1690 OG SER A 112 2.872 16.057 4.414 1.00 0.00 O ATOM 0 H SER A 112 4.616 15.640 1.564 1.00 0.00 H new ATOM 0 HA SER A 112 2.745 14.660 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.187 17.508 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.055 16.213 3.451 1.00 0.00 H new ATOM 0 HG SER A 112 2.547 16.545 5.199 1.00 0.00 H new ATOM 1696 N GLY A 113 1.693 14.998 -0.124 1.00 0.00 N ATOM 1697 CA GLY A 113 0.748 14.965 -1.227 1.00 0.00 C ATOM 1698 C GLY A 113 -0.692 15.043 -0.718 1.00 0.00 C ATOM 1699 O GLY A 113 -1.259 14.039 -0.289 1.00 0.00 O ATOM 0 H GLY A 113 2.500 14.384 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.944 15.797 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.885 14.049 -1.801 1.00 0.00 H new ATOM 1703 N PRO A 114 -1.259 16.278 -0.783 1.00 0.00 N ATOM 1704 CA PRO A 114 -2.622 16.501 -0.333 1.00 0.00 C ATOM 1705 C PRO A 114 -3.630 15.947 -1.343 1.00 0.00 C ATOM 1706 O PRO A 114 -4.058 16.658 -2.251 1.00 0.00 O ATOM 1707 CB PRO A 114 -2.734 18.005 -0.146 1.00 0.00 C ATOM 1708 CG PRO A 114 -1.586 18.610 -0.937 1.00 0.00 C ATOM 1709 CD PRO A 114 -0.618 17.490 -1.285 1.00 0.00 C ATOM 0 HA PRO A 114 -2.848 15.980 0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.694 18.373 -0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -2.666 18.274 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.957 19.089 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -1.084 19.381 -0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -0.449 17.432 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 114 0.354 17.647 -0.817 1.00 0.00 H new ATOM 1717 N SER A 115 -3.979 14.684 -1.151 1.00 0.00 N ATOM 1718 CA SER A 115 -4.928 14.027 -2.034 1.00 0.00 C ATOM 1719 C SER A 115 -6.115 13.498 -1.226 1.00 0.00 C ATOM 1720 O SER A 115 -5.931 12.801 -0.230 1.00 0.00 O ATOM 1721 CB SER A 115 -4.262 12.887 -2.807 1.00 0.00 C ATOM 1722 OG SER A 115 -4.355 13.072 -4.217 1.00 0.00 O ATOM 0 H SER A 115 -3.622 14.098 -0.397 1.00 0.00 H new ATOM 0 HA SER A 115 -5.287 14.760 -2.757 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.213 12.818 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.731 11.942 -2.534 1.00 0.00 H new ATOM 0 HG SER A 115 -3.917 12.324 -4.675 1.00 0.00 H new ATOM 1728 N SER A 116 -7.306 13.851 -1.685 1.00 0.00 N ATOM 1729 CA SER A 116 -8.523 13.421 -1.018 1.00 0.00 C ATOM 1730 C SER A 116 -8.412 13.675 0.487 1.00 0.00 C ATOM 1731 O SER A 116 -8.126 12.758 1.255 1.00 0.00 O ATOM 1732 CB SER A 116 -8.806 11.942 -1.287 1.00 0.00 C ATOM 1733 OG SER A 116 -9.358 11.732 -2.584 1.00 0.00 O ATOM 0 H SER A 116 -7.455 14.430 -2.511 1.00 0.00 H new ATOM 0 HA SER A 116 -9.355 14.000 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.882 11.372 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 116 -9.496 11.562 -0.533 1.00 0.00 H new ATOM 0 HG SER A 116 -9.523 10.775 -2.718 1.00 0.00 H new ATOM 1739 N GLY A 117 -8.644 14.924 0.863 1.00 0.00 N ATOM 1740 CA GLY A 117 -8.573 15.309 2.262 1.00 0.00 C ATOM 1741 C GLY A 117 -8.426 16.826 2.407 1.00 0.00 C ATOM 1742 O GLY A 117 -8.800 17.577 1.508 1.00 0.00 O ATOM 0 H GLY A 117 -8.881 15.682 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -9.472 14.976 2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -7.728 14.811 2.737 1.00 0.00 H new TER 1746 GLY A 117