USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 9 SER OG : rot 140:sc= 0 USER MOD Set 1.2: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00604 (180deg=-0.144) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.00086) USER MOD Single : A 8 HIS : no HD1:sc=-0.00686 X(o=-0.0069,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 12 SER OG : rot 180:sc= -0.055 USER MOD Single : A 13 THR OG1 : rot 29:sc= 0.386 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0651 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc=-0.00345 (180deg=-0.0929) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 29 MET CE :methyl -137:sc= -1.61 (180deg=-4.01!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.36! X(o=-2.4!,f=-2.6) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -46:sc= 1.17 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -87:sc= 0.182 USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0.883 (180deg=0.86) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0341 K(o=-0.034,f=-0.88) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.443 -27.940 -58.907 1.00 62.33 N ATOM 2 CA MET A 1 2.593 -27.031 -59.168 1.00 51.14 C ATOM 3 C MET A 1 2.682 -25.947 -58.083 1.00 2.23 C ATOM 4 O MET A 1 2.053 -24.891 -58.189 1.00 32.42 O ATOM 5 CB MET A 1 2.465 -26.379 -60.553 1.00 3.21 C ATOM 6 CG MET A 1 2.378 -27.383 -61.694 1.00 53.44 C ATOM 7 SD MET A 1 3.809 -28.479 -61.767 1.00 2.54 S ATOM 8 CE MET A 1 3.364 -29.535 -63.149 1.00 15.32 C ATOM 0 H1 MET A 1 1.496 -28.759 -59.545 1.00 62.33 H new ATOM 0 H2 MET A 1 1.476 -28.267 -57.920 1.00 62.33 H new ATOM 0 H3 MET A 1 0.552 -27.429 -59.073 1.00 62.33 H new ATOM 0 HA MET A 1 3.506 -27.626 -59.145 1.00 51.14 H new ATOM 0 HB2 MET A 1 1.577 -25.748 -60.567 1.00 3.21 H new ATOM 0 HB3 MET A 1 3.322 -25.727 -60.719 1.00 3.21 H new ATOM 0 HG2 MET A 1 1.473 -27.980 -61.579 1.00 53.44 H new ATOM 0 HG3 MET A 1 2.288 -26.847 -62.639 1.00 53.44 H new ATOM 0 HE1 MET A 1 4.154 -30.267 -63.317 1.00 15.32 H new ATOM 0 HE2 MET A 1 2.431 -30.053 -62.926 1.00 15.32 H new ATOM 0 HE3 MET A 1 3.236 -28.927 -64.045 1.00 15.32 H new ATOM 20 N GLY A 2 3.452 -26.219 -57.034 1.00 3.35 N ATOM 21 CA GLY A 2 3.549 -25.291 -55.911 1.00 71.20 C ATOM 22 C GLY A 2 4.852 -25.425 -55.132 1.00 1.35 C ATOM 23 O GLY A 2 4.994 -26.311 -54.286 1.00 2.13 O ATOM 0 H GLY A 2 4.013 -27.065 -56.937 1.00 3.35 H new ATOM 0 HA2 GLY A 2 3.459 -24.270 -56.283 1.00 71.20 H new ATOM 0 HA3 GLY A 2 2.710 -25.459 -55.235 1.00 71.20 H new ATOM 27 N HIS A 3 5.812 -24.551 -55.432 1.00 31.22 N ATOM 28 CA HIS A 3 7.090 -24.512 -54.708 1.00 54.51 C ATOM 29 C HIS A 3 7.625 -23.071 -54.631 1.00 14.12 C ATOM 30 O HIS A 3 8.143 -22.539 -55.612 1.00 41.15 O ATOM 31 CB HIS A 3 8.122 -25.429 -55.384 1.00 62.51 C ATOM 32 CG HIS A 3 9.410 -25.546 -54.626 1.00 44.33 C ATOM 33 ND1 HIS A 3 10.580 -24.943 -55.028 1.00 64.12 N ATOM 34 CD2 HIS A 3 9.707 -26.199 -53.478 1.00 52.03 C ATOM 35 CE1 HIS A 3 11.536 -25.218 -54.166 1.00 43.14 C ATOM 36 NE2 HIS A 3 11.034 -25.976 -53.216 1.00 25.24 N ATOM 0 H HIS A 3 5.732 -23.856 -56.174 1.00 31.22 H new ATOM 0 HA HIS A 3 6.918 -24.872 -53.694 1.00 54.51 H new ATOM 0 HB2 HIS A 3 7.689 -26.422 -55.504 1.00 62.51 H new ATOM 0 HB3 HIS A 3 8.332 -25.050 -56.384 1.00 62.51 H new ATOM 0 HD2 HIS A 3 9.026 -26.786 -52.880 1.00 52.03 H new ATOM 0 HE1 HIS A 3 12.559 -24.879 -54.228 1.00 43.14 H new ATOM 0 HE2 HIS A 3 11.549 -26.339 -52.414 1.00 25.24 H new ATOM 45 N HIS A 4 7.487 -22.438 -53.466 1.00 63.11 N ATOM 46 CA HIS A 4 7.892 -21.035 -53.287 1.00 14.30 C ATOM 47 C HIS A 4 8.709 -20.829 -52.001 1.00 24.10 C ATOM 48 O HIS A 4 8.956 -21.768 -51.239 1.00 32.21 O ATOM 49 CB HIS A 4 6.653 -20.125 -53.266 1.00 13.12 C ATOM 50 CG HIS A 4 5.896 -20.103 -54.560 1.00 71.34 C ATOM 51 ND1 HIS A 4 6.183 -19.223 -55.582 1.00 43.13 N ATOM 52 CD2 HIS A 4 4.858 -20.858 -55.002 1.00 4.20 C ATOM 53 CE1 HIS A 4 5.360 -19.436 -56.589 1.00 3.54 C ATOM 54 NE2 HIS A 4 4.549 -20.421 -56.268 1.00 23.51 N ATOM 0 H HIS A 4 7.098 -22.871 -52.629 1.00 63.11 H new ATOM 0 HA HIS A 4 8.529 -20.771 -54.131 1.00 14.30 H new ATOM 0 HB2 HIS A 4 5.985 -20.455 -52.471 1.00 13.12 H new ATOM 0 HB3 HIS A 4 6.964 -19.110 -53.020 1.00 13.12 H new ATOM 0 HD2 HIS A 4 4.367 -21.653 -54.460 1.00 4.20 H new ATOM 0 HE1 HIS A 4 5.353 -18.893 -57.522 1.00 3.54 H new ATOM 0 HE2 HIS A 4 3.811 -20.799 -56.862 1.00 23.51 H new ATOM 63 N HIS A 5 9.136 -19.587 -51.777 1.00 61.34 N ATOM 64 CA HIS A 5 9.901 -19.215 -50.582 1.00 61.54 C ATOM 65 C HIS A 5 9.185 -18.102 -49.802 1.00 53.32 C ATOM 66 O HIS A 5 8.673 -17.150 -50.397 1.00 53.21 O ATOM 67 CB HIS A 5 11.310 -18.747 -50.983 1.00 55.44 C ATOM 68 CG HIS A 5 12.075 -19.757 -51.782 1.00 24.24 C ATOM 69 ND1 HIS A 5 12.165 -19.717 -53.156 1.00 71.31 N ATOM 70 CD2 HIS A 5 12.786 -20.845 -51.397 1.00 4.33 C ATOM 71 CE1 HIS A 5 12.894 -20.729 -53.580 1.00 23.30 C ATOM 72 NE2 HIS A 5 13.280 -21.428 -52.535 1.00 71.45 N ATOM 0 H HIS A 5 8.963 -18.810 -52.415 1.00 61.34 H new ATOM 0 HA HIS A 5 9.982 -20.092 -49.940 1.00 61.54 H new ATOM 0 HB2 HIS A 5 11.227 -17.827 -51.561 1.00 55.44 H new ATOM 0 HB3 HIS A 5 11.874 -18.507 -50.082 1.00 55.44 H new ATOM 0 HD2 HIS A 5 12.935 -21.188 -50.384 1.00 4.33 H new ATOM 0 HE1 HIS A 5 13.134 -20.947 -54.610 1.00 23.30 H new ATOM 0 HE2 HIS A 5 13.855 -22.270 -52.566 1.00 71.45 H new ATOM 81 N HIS A 6 9.156 -18.216 -48.476 1.00 74.25 N ATOM 82 CA HIS A 6 8.468 -17.227 -47.632 1.00 3.34 C ATOM 83 C HIS A 6 8.739 -17.467 -46.137 1.00 3.14 C ATOM 84 O HIS A 6 8.694 -18.601 -45.668 1.00 42.44 O ATOM 85 CB HIS A 6 6.954 -17.266 -47.896 1.00 25.11 C ATOM 86 CG HIS A 6 6.177 -16.267 -47.098 1.00 61.24 C ATOM 87 ND1 HIS A 6 6.132 -14.926 -47.409 1.00 12.15 N ATOM 88 CD2 HIS A 6 5.412 -16.416 -45.990 1.00 54.12 C ATOM 89 CE1 HIS A 6 5.381 -14.295 -46.532 1.00 30.34 C ATOM 90 NE2 HIS A 6 4.932 -15.174 -45.661 1.00 35.51 N ATOM 0 H HIS A 6 9.597 -18.977 -47.960 1.00 74.25 H new ATOM 0 HA HIS A 6 8.861 -16.244 -47.893 1.00 3.34 H new ATOM 0 HB2 HIS A 6 6.775 -17.089 -48.956 1.00 25.11 H new ATOM 0 HB3 HIS A 6 6.581 -18.265 -47.672 1.00 25.11 H new ATOM 0 HD2 HIS A 6 5.217 -17.339 -45.465 1.00 54.12 H new ATOM 0 HE1 HIS A 6 5.169 -13.236 -46.528 1.00 30.34 H new ATOM 0 HE2 HIS A 6 4.325 -14.965 -44.869 1.00 35.51 H new ATOM 99 N HIS A 7 9.011 -16.394 -45.390 1.00 54.25 N ATOM 100 CA HIS A 7 9.203 -16.496 -43.935 1.00 30.41 C ATOM 101 C HIS A 7 8.965 -15.150 -43.227 1.00 44.15 C ATOM 102 O HIS A 7 9.415 -14.105 -43.698 1.00 4.52 O ATOM 103 CB HIS A 7 10.613 -17.017 -43.603 1.00 2.12 C ATOM 104 CG HIS A 7 11.734 -16.130 -44.074 1.00 11.21 C ATOM 105 ND1 HIS A 7 12.433 -16.356 -45.237 1.00 64.41 N ATOM 106 CD2 HIS A 7 12.281 -15.017 -43.524 1.00 42.24 C ATOM 107 CE1 HIS A 7 13.357 -15.429 -45.383 1.00 53.14 C ATOM 108 NE2 HIS A 7 13.286 -14.604 -44.359 1.00 14.15 N ATOM 0 H HIS A 7 9.103 -15.449 -45.762 1.00 54.25 H new ATOM 0 HA HIS A 7 8.463 -17.206 -43.567 1.00 30.41 H new ATOM 0 HB2 HIS A 7 10.695 -17.142 -42.523 1.00 2.12 H new ATOM 0 HB3 HIS A 7 10.736 -18.004 -44.049 1.00 2.12 H new ATOM 0 HD2 HIS A 7 11.980 -14.545 -42.600 1.00 42.24 H new ATOM 0 HE1 HIS A 7 14.055 -15.357 -46.204 1.00 53.14 H new ATOM 0 HE2 HIS A 7 13.882 -13.790 -44.211 1.00 14.15 H new ATOM 117 N HIS A 8 8.251 -15.188 -42.101 1.00 4.45 N ATOM 118 CA HIS A 8 8.056 -14.006 -41.249 1.00 52.42 C ATOM 119 C HIS A 8 7.339 -14.389 -39.949 1.00 42.24 C ATOM 120 O HIS A 8 6.182 -14.810 -39.967 1.00 53.32 O ATOM 121 CB HIS A 8 7.256 -12.914 -41.980 1.00 73.33 C ATOM 122 CG HIS A 8 7.098 -11.657 -41.174 1.00 40.34 C ATOM 123 ND1 HIS A 8 8.012 -10.630 -41.198 1.00 2.31 N ATOM 124 CD2 HIS A 8 6.134 -11.270 -40.301 1.00 41.11 C ATOM 125 CE1 HIS A 8 7.626 -9.675 -40.380 1.00 33.04 C ATOM 126 NE2 HIS A 8 6.491 -10.035 -39.818 1.00 51.12 N ATOM 0 H HIS A 8 7.793 -16.030 -41.753 1.00 4.45 H new ATOM 0 HA HIS A 8 9.043 -13.609 -41.010 1.00 52.42 H new ATOM 0 HB2 HIS A 8 7.754 -12.675 -42.920 1.00 73.33 H new ATOM 0 HB3 HIS A 8 6.269 -13.303 -42.232 1.00 73.33 H new ATOM 0 HD2 HIS A 8 5.249 -11.830 -40.035 1.00 41.11 H new ATOM 0 HE1 HIS A 8 8.152 -8.749 -40.199 1.00 33.04 H new ATOM 0 HE2 HIS A 8 5.964 -9.488 -39.137 1.00 51.12 H new ATOM 135 N SER A 9 8.024 -14.235 -38.820 1.00 20.21 N ATOM 136 CA SER A 9 7.440 -14.566 -37.513 1.00 30.25 C ATOM 137 C SER A 9 8.198 -13.902 -36.355 1.00 41.44 C ATOM 138 O SER A 9 9.425 -13.788 -36.373 1.00 74.33 O ATOM 139 CB SER A 9 7.419 -16.086 -37.298 1.00 32.25 C ATOM 140 OG SER A 9 6.826 -16.425 -36.052 1.00 61.45 O ATOM 0 H SER A 9 8.981 -13.885 -38.778 1.00 20.21 H new ATOM 0 HA SER A 9 6.421 -14.180 -37.519 1.00 30.25 H new ATOM 0 HB2 SER A 9 6.866 -16.562 -38.108 1.00 32.25 H new ATOM 0 HB3 SER A 9 8.437 -16.475 -37.336 1.00 32.25 H new ATOM 0 HG SER A 9 6.261 -17.218 -36.164 1.00 61.45 H new ATOM 146 N HIS A 10 7.446 -13.442 -35.359 1.00 22.40 N ATOM 147 CA HIS A 10 8.016 -12.910 -34.117 1.00 5.52 C ATOM 148 C HIS A 10 7.189 -13.381 -32.914 1.00 4.23 C ATOM 149 O HIS A 10 6.249 -12.707 -32.483 1.00 32.31 O ATOM 150 CB HIS A 10 8.081 -11.376 -34.154 1.00 11.51 C ATOM 151 CG HIS A 10 9.067 -10.838 -35.146 1.00 42.10 C ATOM 152 ND1 HIS A 10 8.699 -10.240 -36.332 1.00 43.25 N ATOM 153 CD2 HIS A 10 10.420 -10.801 -35.117 1.00 64.41 C ATOM 154 CE1 HIS A 10 9.777 -9.862 -36.985 1.00 52.44 C ATOM 155 NE2 HIS A 10 10.834 -10.188 -36.274 1.00 64.03 N ATOM 0 H HIS A 10 6.426 -13.426 -35.386 1.00 22.40 H new ATOM 0 HA HIS A 10 9.033 -13.288 -34.017 1.00 5.52 H new ATOM 0 HB2 HIS A 10 7.091 -10.985 -34.390 1.00 11.51 H new ATOM 0 HB3 HIS A 10 8.340 -11.008 -33.161 1.00 11.51 H new ATOM 0 HD2 HIS A 10 11.055 -11.182 -34.331 1.00 64.41 H new ATOM 0 HE1 HIS A 10 9.791 -9.367 -37.945 1.00 52.44 H new ATOM 0 HE2 HIS A 10 11.804 -10.014 -36.539 1.00 64.03 H new ATOM 164 N MET A 11 7.530 -14.555 -32.392 1.00 32.34 N ATOM 165 CA MET A 11 6.777 -15.157 -31.290 1.00 43.44 C ATOM 166 C MET A 11 7.192 -14.558 -29.938 1.00 71.10 C ATOM 167 O MET A 11 8.383 -14.404 -29.653 1.00 4.01 O ATOM 168 CB MET A 11 6.964 -16.679 -31.297 1.00 24.11 C ATOM 169 CG MET A 11 6.483 -17.335 -32.587 1.00 14.12 C ATOM 170 SD MET A 11 6.740 -19.120 -32.607 1.00 3.11 S ATOM 171 CE MET A 11 6.084 -19.544 -34.220 1.00 52.10 C ATOM 0 H MET A 11 8.323 -15.111 -32.713 1.00 32.34 H new ATOM 0 HA MET A 11 5.720 -14.934 -31.434 1.00 43.44 H new ATOM 0 HB2 MET A 11 8.019 -16.910 -31.150 1.00 24.11 H new ATOM 0 HB3 MET A 11 6.423 -17.109 -30.454 1.00 24.11 H new ATOM 0 HG2 MET A 11 5.422 -17.125 -32.722 1.00 14.12 H new ATOM 0 HG3 MET A 11 7.006 -16.888 -33.432 1.00 14.12 H new ATOM 0 HE1 MET A 11 6.174 -20.619 -34.378 1.00 52.10 H new ATOM 0 HE2 MET A 11 5.034 -19.256 -34.273 1.00 52.10 H new ATOM 0 HE3 MET A 11 6.645 -19.016 -34.991 1.00 52.10 H new ATOM 181 N SER A 12 6.203 -14.217 -29.112 1.00 32.11 N ATOM 182 CA SER A 12 6.451 -13.547 -27.826 1.00 10.34 C ATOM 183 C SER A 12 6.480 -14.539 -26.656 1.00 73.34 C ATOM 184 O SER A 12 5.976 -15.660 -26.759 1.00 34.12 O ATOM 185 CB SER A 12 5.375 -12.483 -27.567 1.00 61.50 C ATOM 186 OG SER A 12 5.606 -11.788 -26.352 1.00 74.11 O ATOM 0 H SER A 12 5.217 -14.393 -29.308 1.00 32.11 H new ATOM 0 HA SER A 12 7.432 -13.076 -27.892 1.00 10.34 H new ATOM 0 HB2 SER A 12 5.358 -11.774 -28.394 1.00 61.50 H new ATOM 0 HB3 SER A 12 4.394 -12.958 -27.534 1.00 61.50 H new ATOM 0 HG SER A 12 4.903 -11.118 -26.220 1.00 74.11 H new ATOM 192 N THR A 13 7.074 -14.112 -25.544 1.00 75.54 N ATOM 193 CA THR A 13 7.163 -14.936 -24.329 1.00 63.54 C ATOM 194 C THR A 13 6.466 -14.252 -23.140 1.00 3.44 C ATOM 195 O THR A 13 6.756 -13.095 -22.825 1.00 40.41 O ATOM 196 CB THR A 13 8.637 -15.217 -23.939 1.00 34.15 C ATOM 197 OG1 THR A 13 9.314 -13.984 -23.639 1.00 64.53 O ATOM 198 CG2 THR A 13 9.368 -15.941 -25.067 1.00 73.42 C ATOM 0 H THR A 13 7.506 -13.192 -25.454 1.00 75.54 H new ATOM 0 HA THR A 13 6.663 -15.878 -24.556 1.00 63.54 H new ATOM 0 HB THR A 13 8.638 -15.855 -23.055 1.00 34.15 H new ATOM 0 HG1 THR A 13 8.667 -13.329 -23.302 1.00 64.53 H new ATOM 0 HG21 THR A 13 10.400 -16.128 -24.771 1.00 73.42 H new ATOM 0 HG22 THR A 13 8.872 -16.890 -25.272 1.00 73.42 H new ATOM 0 HG23 THR A 13 9.354 -15.323 -25.965 1.00 73.42 H new ATOM 206 N PRO A 14 5.527 -14.946 -22.467 1.00 45.54 N ATOM 207 CA PRO A 14 4.844 -14.412 -21.274 1.00 53.21 C ATOM 208 C PRO A 14 5.786 -14.263 -20.065 1.00 70.01 C ATOM 209 O PRO A 14 5.797 -15.101 -19.161 1.00 14.23 O ATOM 210 CB PRO A 14 3.737 -15.450 -20.985 1.00 64.13 C ATOM 211 CG PRO A 14 3.658 -16.296 -22.214 1.00 13.33 C ATOM 212 CD PRO A 14 5.041 -16.288 -22.808 1.00 22.52 C ATOM 0 HA PRO A 14 4.460 -13.407 -21.449 1.00 53.21 H new ATOM 0 HB2 PRO A 14 3.981 -16.051 -20.109 1.00 64.13 H new ATOM 0 HB3 PRO A 14 2.784 -14.962 -20.782 1.00 64.13 H new ATOM 0 HG2 PRO A 14 3.343 -17.311 -21.970 1.00 13.33 H new ATOM 0 HG3 PRO A 14 2.928 -15.896 -22.918 1.00 13.33 H new ATOM 0 HD2 PRO A 14 5.671 -17.068 -22.380 1.00 22.52 H new ATOM 0 HD3 PRO A 14 5.020 -16.450 -23.886 1.00 22.52 H new ATOM 220 N LEU A 15 6.602 -13.207 -20.074 1.00 14.12 N ATOM 221 CA LEU A 15 7.507 -12.915 -18.952 1.00 52.34 C ATOM 222 C LEU A 15 6.719 -12.626 -17.659 1.00 11.54 C ATOM 223 O LEU A 15 5.775 -11.836 -17.660 1.00 61.22 O ATOM 224 CB LEU A 15 8.446 -11.731 -19.282 1.00 42.10 C ATOM 225 CG LEU A 15 7.799 -10.331 -19.374 1.00 70.14 C ATOM 226 CD1 LEU A 15 8.871 -9.253 -19.501 1.00 10.24 C ATOM 227 CD2 LEU A 15 6.819 -10.237 -20.541 1.00 45.10 C ATOM 0 H LEU A 15 6.657 -12.539 -20.843 1.00 14.12 H new ATOM 0 HA LEU A 15 8.118 -13.803 -18.790 1.00 52.34 H new ATOM 0 HB2 LEU A 15 9.226 -11.695 -18.522 1.00 42.10 H new ATOM 0 HB3 LEU A 15 8.936 -11.941 -20.233 1.00 42.10 H new ATOM 0 HG LEU A 15 7.239 -10.170 -18.453 1.00 70.14 H new ATOM 0 HD11 LEU A 15 8.397 -8.274 -19.565 1.00 10.24 H new ATOM 0 HD12 LEU A 15 9.523 -9.284 -18.628 1.00 10.24 H new ATOM 0 HD13 LEU A 15 9.460 -9.430 -20.401 1.00 10.24 H new ATOM 0 HD21 LEU A 15 6.385 -9.238 -20.572 1.00 45.10 H new ATOM 0 HD22 LEU A 15 7.346 -10.433 -21.475 1.00 45.10 H new ATOM 0 HD23 LEU A 15 6.026 -10.973 -20.410 1.00 45.10 H new ATOM 239 N THR A 16 7.107 -13.267 -16.558 1.00 13.14 N ATOM 240 CA THR A 16 6.402 -13.097 -15.280 1.00 43.40 C ATOM 241 C THR A 16 6.620 -11.688 -14.703 1.00 70.50 C ATOM 242 O THR A 16 5.687 -10.886 -14.650 1.00 52.22 O ATOM 243 CB THR A 16 6.839 -14.155 -14.233 1.00 44.53 C ATOM 244 OG1 THR A 16 8.228 -13.994 -13.905 1.00 32.21 O ATOM 245 CG2 THR A 16 6.601 -15.572 -14.750 1.00 32.31 C ATOM 0 H THR A 16 7.901 -13.906 -16.520 1.00 13.14 H new ATOM 0 HA THR A 16 5.342 -13.236 -15.492 1.00 43.40 H new ATOM 0 HB THR A 16 6.235 -14.002 -13.338 1.00 44.53 H new ATOM 0 HG1 THR A 16 8.488 -14.668 -13.242 1.00 32.21 H new ATOM 0 HG21 THR A 16 6.917 -16.292 -13.995 1.00 32.31 H new ATOM 0 HG22 THR A 16 5.540 -15.709 -14.961 1.00 32.31 H new ATOM 0 HG23 THR A 16 7.176 -15.728 -15.663 1.00 32.31 H new ATOM 253 N GLY A 17 7.853 -11.402 -14.269 1.00 52.14 N ATOM 254 CA GLY A 17 8.219 -10.066 -13.790 1.00 64.44 C ATOM 255 C GLY A 17 7.170 -9.412 -12.888 1.00 13.34 C ATOM 256 O GLY A 17 6.758 -8.274 -13.131 1.00 25.14 O ATOM 0 H GLY A 17 8.615 -12.080 -14.240 1.00 52.14 H new ATOM 0 HA2 GLY A 17 9.160 -10.134 -13.244 1.00 64.44 H new ATOM 0 HA3 GLY A 17 8.396 -9.420 -14.650 1.00 64.44 H new ATOM 260 N LYS A 18 6.728 -10.127 -11.855 1.00 15.33 N ATOM 261 CA LYS A 18 5.711 -9.599 -10.934 1.00 21.34 C ATOM 262 C LYS A 18 6.362 -8.926 -9.710 1.00 2.41 C ATOM 263 O LYS A 18 7.443 -9.327 -9.278 1.00 61.33 O ATOM 264 CB LYS A 18 4.753 -10.721 -10.491 1.00 30.41 C ATOM 265 CG LYS A 18 5.429 -11.873 -9.752 1.00 73.31 C ATOM 266 CD LYS A 18 4.432 -12.971 -9.388 1.00 53.11 C ATOM 267 CE LYS A 18 5.100 -14.119 -8.641 1.00 35.15 C ATOM 268 NZ LYS A 18 5.618 -13.700 -7.312 1.00 33.10 N ATOM 0 H LYS A 18 7.053 -11.068 -11.632 1.00 15.33 H new ATOM 0 HA LYS A 18 5.137 -8.840 -11.465 1.00 21.34 H new ATOM 0 HB2 LYS A 18 3.985 -10.293 -9.847 1.00 30.41 H new ATOM 0 HB3 LYS A 18 4.246 -11.118 -11.371 1.00 30.41 H new ATOM 0 HG2 LYS A 18 6.220 -12.291 -10.375 1.00 73.31 H new ATOM 0 HG3 LYS A 18 5.903 -11.496 -8.846 1.00 73.31 H new ATOM 0 HD2 LYS A 18 3.637 -12.550 -8.772 1.00 53.11 H new ATOM 0 HD3 LYS A 18 3.964 -13.352 -10.296 1.00 53.11 H new ATOM 0 HE2 LYS A 18 4.384 -14.930 -8.510 1.00 35.15 H new ATOM 0 HE3 LYS A 18 5.921 -14.512 -9.241 1.00 35.15 H new ATOM 0 HZ1 LYS A 18 5.909 -14.540 -6.772 1.00 33.10 H new ATOM 0 HZ2 LYS A 18 6.436 -13.070 -7.441 1.00 33.10 H new ATOM 0 HZ3 LYS A 18 4.872 -13.196 -6.792 1.00 33.10 H new ATOM 282 N PRO A 19 5.718 -7.874 -9.152 1.00 15.20 N ATOM 283 CA PRO A 19 6.244 -7.136 -7.983 1.00 61.44 C ATOM 284 C PRO A 19 6.702 -8.051 -6.831 1.00 13.34 C ATOM 285 O PRO A 19 5.882 -8.681 -6.160 1.00 3.34 O ATOM 286 CB PRO A 19 5.050 -6.277 -7.551 1.00 64.51 C ATOM 287 CG PRO A 19 4.283 -6.047 -8.808 1.00 32.53 C ATOM 288 CD PRO A 19 4.434 -7.308 -9.621 1.00 41.31 C ATOM 0 HA PRO A 19 7.138 -6.567 -8.238 1.00 61.44 H new ATOM 0 HB2 PRO A 19 4.443 -6.788 -6.803 1.00 64.51 H new ATOM 0 HB3 PRO A 19 5.377 -5.337 -7.108 1.00 64.51 H new ATOM 0 HG2 PRO A 19 3.234 -5.844 -8.594 1.00 32.53 H new ATOM 0 HG3 PRO A 19 4.671 -5.184 -9.350 1.00 32.53 H new ATOM 0 HD2 PRO A 19 3.606 -7.996 -9.450 1.00 41.31 H new ATOM 0 HD3 PRO A 19 4.456 -7.095 -10.690 1.00 41.31 H new ATOM 296 N GLY A 20 8.016 -8.118 -6.608 1.00 55.23 N ATOM 297 CA GLY A 20 8.567 -8.992 -5.571 1.00 64.25 C ATOM 298 C GLY A 20 8.770 -8.289 -4.230 1.00 24.53 C ATOM 299 O GLY A 20 9.146 -8.923 -3.240 1.00 31.31 O ATOM 0 H GLY A 20 8.713 -7.583 -7.126 1.00 55.23 H new ATOM 0 HA2 GLY A 20 7.899 -9.842 -5.430 1.00 64.25 H new ATOM 0 HA3 GLY A 20 9.522 -9.391 -5.912 1.00 64.25 H new ATOM 303 N ALA A 21 8.534 -6.978 -4.197 1.00 15.03 N ATOM 304 CA ALA A 21 8.664 -6.191 -2.964 1.00 20.43 C ATOM 305 C ALA A 21 7.939 -4.845 -3.078 1.00 42.31 C ATOM 306 O ALA A 21 7.481 -4.461 -4.157 1.00 41.12 O ATOM 307 CB ALA A 21 10.137 -5.967 -2.633 1.00 11.05 C ATOM 0 H ALA A 21 8.251 -6.434 -5.012 1.00 15.03 H new ATOM 0 HA ALA A 21 8.197 -6.756 -2.158 1.00 20.43 H new ATOM 0 HB1 ALA A 21 10.219 -5.382 -1.717 1.00 11.05 H new ATOM 0 HB2 ALA A 21 10.629 -6.930 -2.495 1.00 11.05 H new ATOM 0 HB3 ALA A 21 10.616 -5.429 -3.451 1.00 11.05 H new ATOM 313 N LEU A 22 7.836 -4.126 -1.965 1.00 53.31 N ATOM 314 CA LEU A 22 7.230 -2.793 -1.970 1.00 14.03 C ATOM 315 C LEU A 22 8.219 -1.742 -2.495 1.00 35.32 C ATOM 316 O LEU A 22 9.392 -1.747 -2.118 1.00 34.20 O ATOM 317 CB LEU A 22 6.772 -2.400 -0.560 1.00 10.22 C ATOM 318 CG LEU A 22 5.724 -3.322 0.075 1.00 13.04 C ATOM 319 CD1 LEU A 22 5.354 -2.829 1.470 1.00 51.21 C ATOM 320 CD2 LEU A 22 4.483 -3.424 -0.808 1.00 12.13 C ATOM 0 H LEU A 22 8.162 -4.439 -1.051 1.00 53.31 H new ATOM 0 HA LEU A 22 6.365 -2.828 -2.632 1.00 14.03 H new ATOM 0 HB2 LEU A 22 7.645 -2.369 0.091 1.00 10.22 H new ATOM 0 HB3 LEU A 22 6.366 -1.389 -0.597 1.00 10.22 H new ATOM 0 HG LEU A 22 6.156 -4.318 0.165 1.00 13.04 H new ATOM 0 HD11 LEU A 22 4.609 -3.495 1.906 1.00 51.21 H new ATOM 0 HD12 LEU A 22 6.244 -2.818 2.100 1.00 51.21 H new ATOM 0 HD13 LEU A 22 4.944 -1.821 1.403 1.00 51.21 H new ATOM 0 HD21 LEU A 22 3.754 -4.083 -0.337 1.00 12.13 H new ATOM 0 HD22 LEU A 22 4.046 -2.434 -0.937 1.00 12.13 H new ATOM 0 HD23 LEU A 22 4.761 -3.828 -1.781 1.00 12.13 H new ATOM 332 N PRO A 23 7.764 -0.832 -3.377 1.00 73.02 N ATOM 333 CA PRO A 23 8.608 0.261 -3.881 1.00 71.55 C ATOM 334 C PRO A 23 9.069 1.202 -2.756 1.00 31.01 C ATOM 335 O PRO A 23 8.351 1.413 -1.779 1.00 14.13 O ATOM 336 CB PRO A 23 7.691 1.009 -4.867 1.00 22.13 C ATOM 337 CG PRO A 23 6.594 0.046 -5.189 1.00 41.44 C ATOM 338 CD PRO A 23 6.411 -0.795 -3.958 1.00 74.24 C ATOM 0 HA PRO A 23 9.524 -0.112 -4.339 1.00 71.55 H new ATOM 0 HB2 PRO A 23 7.296 1.922 -4.422 1.00 22.13 H new ATOM 0 HB3 PRO A 23 8.234 1.302 -5.765 1.00 22.13 H new ATOM 0 HG2 PRO A 23 5.674 0.572 -5.443 1.00 41.44 H new ATOM 0 HG3 PRO A 23 6.856 -0.571 -6.049 1.00 41.44 H new ATOM 0 HD2 PRO A 23 5.689 -0.353 -3.271 1.00 74.24 H new ATOM 0 HD3 PRO A 23 6.049 -1.794 -4.202 1.00 74.24 H new ATOM 346 N ALA A 24 10.266 1.763 -2.884 1.00 35.20 N ATOM 347 CA ALA A 24 10.772 2.716 -1.890 1.00 64.15 C ATOM 348 C ALA A 24 9.956 4.020 -1.899 1.00 22.43 C ATOM 349 O ALA A 24 9.939 4.767 -0.922 1.00 42.01 O ATOM 350 CB ALA A 24 12.249 3.006 -2.139 1.00 1.02 C ATOM 0 H ALA A 24 10.904 1.580 -3.659 1.00 35.20 H new ATOM 0 HA ALA A 24 10.664 2.264 -0.904 1.00 64.15 H new ATOM 0 HB1 ALA A 24 12.611 3.715 -1.394 1.00 1.02 H new ATOM 0 HB2 ALA A 24 12.819 2.080 -2.066 1.00 1.02 H new ATOM 0 HB3 ALA A 24 12.373 3.431 -3.135 1.00 1.02 H new ATOM 356 N ASN A 25 9.254 4.261 -3.004 1.00 31.20 N ATOM 357 CA ASN A 25 8.511 5.513 -3.215 1.00 33.30 C ATOM 358 C ASN A 25 7.061 5.444 -2.680 1.00 4.21 C ATOM 359 O ASN A 25 6.201 6.210 -3.117 1.00 54.44 O ATOM 360 CB ASN A 25 8.492 5.825 -4.714 1.00 65.15 C ATOM 361 CG ASN A 25 9.872 5.731 -5.335 1.00 71.34 C ATOM 362 OD1 ASN A 25 10.302 4.666 -5.771 1.00 12.30 O ATOM 363 ND2 ASN A 25 10.579 6.838 -5.378 1.00 71.20 N ATOM 0 H ASN A 25 9.181 3.601 -3.778 1.00 31.20 H new ATOM 0 HA ASN A 25 9.017 6.301 -2.657 1.00 33.30 H new ATOM 0 HB2 ASN A 25 7.820 5.132 -5.219 1.00 65.15 H new ATOM 0 HB3 ASN A 25 8.092 6.827 -4.870 1.00 65.15 H new ATOM 0 HD21 ASN A 25 11.515 6.830 -5.783 1.00 71.20 H new ATOM 0 HD22 ASN A 25 10.191 7.705 -5.007 1.00 71.20 H new ATOM 370 N LEU A 26 6.801 4.546 -1.721 1.00 35.44 N ATOM 371 CA LEU A 26 5.443 4.343 -1.174 1.00 51.04 C ATOM 372 C LEU A 26 4.746 5.664 -0.798 1.00 71.34 C ATOM 373 O LEU A 26 3.657 5.960 -1.294 1.00 61.14 O ATOM 374 CB LEU A 26 5.479 3.418 0.057 1.00 61.44 C ATOM 375 CG LEU A 26 5.800 1.943 -0.232 1.00 24.54 C ATOM 376 CD1 LEU A 26 5.828 1.127 1.059 1.00 74.13 C ATOM 377 CD2 LEU A 26 4.792 1.355 -1.219 1.00 12.11 C ATOM 0 H LEU A 26 7.512 3.945 -1.304 1.00 35.44 H new ATOM 0 HA LEU A 26 4.864 3.876 -1.971 1.00 51.04 H new ATOM 0 HB2 LEU A 26 6.221 3.803 0.757 1.00 61.44 H new ATOM 0 HB3 LEU A 26 4.512 3.470 0.557 1.00 61.44 H new ATOM 0 HG LEU A 26 6.791 1.895 -0.684 1.00 24.54 H new ATOM 0 HD11 LEU A 26 6.057 0.087 0.827 1.00 74.13 H new ATOM 0 HD12 LEU A 26 6.592 1.527 1.726 1.00 74.13 H new ATOM 0 HD13 LEU A 26 4.855 1.184 1.547 1.00 74.13 H new ATOM 0 HD21 LEU A 26 5.037 0.310 -1.410 1.00 12.11 H new ATOM 0 HD22 LEU A 26 3.789 1.421 -0.798 1.00 12.11 H new ATOM 0 HD23 LEU A 26 4.830 1.914 -2.154 1.00 12.11 H new ATOM 389 N ASP A 27 5.374 6.456 0.068 1.00 11.34 N ATOM 390 CA ASP A 27 4.758 7.694 0.552 1.00 42.12 C ATOM 391 C ASP A 27 4.838 8.831 -0.485 1.00 43.41 C ATOM 392 O ASP A 27 4.236 9.889 -0.302 1.00 54.25 O ATOM 393 CB ASP A 27 5.385 8.122 1.887 1.00 13.34 C ATOM 394 CG ASP A 27 6.881 8.375 1.802 1.00 20.01 C ATOM 395 OD1 ASP A 27 7.655 7.394 1.727 1.00 25.32 O ATOM 396 OD2 ASP A 27 7.291 9.553 1.840 1.00 22.30 O ATOM 0 H ASP A 27 6.302 6.267 0.448 1.00 11.34 H new ATOM 0 HA ASP A 27 3.700 7.488 0.713 1.00 42.12 H new ATOM 0 HB2 ASP A 27 4.891 9.028 2.237 1.00 13.34 H new ATOM 0 HB3 ASP A 27 5.197 7.349 2.632 1.00 13.34 H new ATOM 401 N ASP A 28 5.573 8.602 -1.572 1.00 71.32 N ATOM 402 CA ASP A 28 5.690 9.583 -2.661 1.00 53.42 C ATOM 403 C ASP A 28 4.611 9.369 -3.741 1.00 64.42 C ATOM 404 O ASP A 28 4.221 10.312 -4.437 1.00 1.13 O ATOM 405 CB ASP A 28 7.080 9.495 -3.295 1.00 14.03 C ATOM 406 CG ASP A 28 8.188 9.727 -2.286 1.00 1.23 C ATOM 407 OD1 ASP A 28 8.501 10.904 -2.000 1.00 62.12 O ATOM 408 OD2 ASP A 28 8.746 8.740 -1.765 1.00 62.41 O ATOM 0 H ASP A 28 6.101 7.743 -1.727 1.00 71.32 H new ATOM 0 HA ASP A 28 5.542 10.574 -2.232 1.00 53.42 H new ATOM 0 HB2 ASP A 28 7.207 8.514 -3.752 1.00 14.03 H new ATOM 0 HB3 ASP A 28 7.160 10.231 -4.095 1.00 14.03 H new ATOM 413 N MET A 29 4.132 8.130 -3.877 1.00 31.00 N ATOM 414 CA MET A 29 3.122 7.794 -4.894 1.00 75.03 C ATOM 415 C MET A 29 1.745 8.391 -4.564 1.00 64.22 C ATOM 416 O MET A 29 1.513 8.897 -3.468 1.00 21.44 O ATOM 417 CB MET A 29 2.991 6.271 -5.049 1.00 43.23 C ATOM 418 CG MET A 29 4.253 5.585 -5.551 1.00 41.05 C ATOM 419 SD MET A 29 4.005 3.827 -5.884 1.00 44.02 S ATOM 420 CE MET A 29 3.388 3.258 -4.298 1.00 41.23 C ATOM 0 H MET A 29 4.424 7.342 -3.299 1.00 31.00 H new ATOM 0 HA MET A 29 3.466 8.230 -5.832 1.00 75.03 H new ATOM 0 HB2 MET A 29 2.716 5.841 -4.086 1.00 43.23 H new ATOM 0 HB3 MET A 29 2.175 6.056 -5.739 1.00 43.23 H new ATOM 0 HG2 MET A 29 4.592 6.079 -6.462 1.00 41.05 H new ATOM 0 HG3 MET A 29 5.044 5.702 -4.811 1.00 41.05 H new ATOM 0 HE1 MET A 29 3.865 2.312 -4.040 1.00 41.23 H new ATOM 0 HE2 MET A 29 3.615 3.999 -3.532 1.00 41.23 H new ATOM 0 HE3 MET A 29 2.309 3.116 -4.357 1.00 41.23 H new ATOM 430 N LYS A 30 0.834 8.326 -5.532 1.00 35.50 N ATOM 431 CA LYS A 30 -0.543 8.797 -5.346 1.00 61.32 C ATOM 432 C LYS A 30 -1.375 7.793 -4.534 1.00 42.54 C ATOM 433 O LYS A 30 -1.070 6.600 -4.497 1.00 74.41 O ATOM 434 CB LYS A 30 -1.211 9.002 -6.710 1.00 0.24 C ATOM 435 CG LYS A 30 -0.496 9.998 -7.618 1.00 12.01 C ATOM 436 CD LYS A 30 -1.063 9.973 -9.037 1.00 65.23 C ATOM 437 CE LYS A 30 -2.541 10.348 -9.072 1.00 60.42 C ATOM 438 NZ LYS A 30 -3.127 10.189 -10.431 1.00 43.11 N ATOM 0 H LYS A 30 1.023 7.949 -6.461 1.00 35.50 H new ATOM 0 HA LYS A 30 -0.499 9.739 -4.799 1.00 61.32 H new ATOM 0 HB2 LYS A 30 -1.270 8.041 -7.220 1.00 0.24 H new ATOM 0 HB3 LYS A 30 -2.234 9.342 -6.552 1.00 0.24 H new ATOM 0 HG2 LYS A 30 -0.592 11.002 -7.205 1.00 12.01 H new ATOM 0 HG3 LYS A 30 0.569 9.766 -7.647 1.00 12.01 H new ATOM 0 HD2 LYS A 30 -0.499 10.664 -9.664 1.00 65.23 H new ATOM 0 HD3 LYS A 30 -0.932 8.978 -9.462 1.00 65.23 H new ATOM 0 HE2 LYS A 30 -3.090 9.725 -8.366 1.00 60.42 H new ATOM 0 HE3 LYS A 30 -2.660 11.381 -8.745 1.00 60.42 H new ATOM 0 HZ1 LYS A 30 -4.132 10.455 -10.409 1.00 43.11 H new ATOM 0 HZ2 LYS A 30 -2.621 10.803 -11.101 1.00 43.11 H new ATOM 0 HZ3 LYS A 30 -3.037 9.198 -10.734 1.00 43.11 H new ATOM 452 N VAL A 31 -2.453 8.276 -3.914 1.00 63.44 N ATOM 453 CA VAL A 31 -3.382 7.399 -3.189 1.00 12.13 C ATOM 454 C VAL A 31 -3.944 6.314 -4.123 1.00 53.33 C ATOM 455 O VAL A 31 -4.079 5.151 -3.737 1.00 53.34 O ATOM 456 CB VAL A 31 -4.554 8.200 -2.565 1.00 52.23 C ATOM 457 CG1 VAL A 31 -5.528 7.272 -1.837 1.00 53.44 C ATOM 458 CG2 VAL A 31 -4.022 9.280 -1.623 1.00 44.44 C ATOM 0 H VAL A 31 -2.706 9.264 -3.897 1.00 63.44 H new ATOM 0 HA VAL A 31 -2.818 6.928 -2.384 1.00 12.13 H new ATOM 0 HB VAL A 31 -5.101 8.688 -3.372 1.00 52.23 H new ATOM 0 HG11 VAL A 31 -6.340 7.860 -1.409 1.00 53.44 H new ATOM 0 HG12 VAL A 31 -5.937 6.548 -2.542 1.00 53.44 H new ATOM 0 HG13 VAL A 31 -5.002 6.746 -1.040 1.00 53.44 H new ATOM 0 HG21 VAL A 31 -4.858 9.833 -1.194 1.00 44.44 H new ATOM 0 HG22 VAL A 31 -3.446 8.814 -0.823 1.00 44.44 H new ATOM 0 HG23 VAL A 31 -3.382 9.965 -2.179 1.00 44.44 H new ATOM 468 N ALA A 32 -4.253 6.706 -5.360 1.00 2.42 N ATOM 469 CA ALA A 32 -4.739 5.772 -6.383 1.00 21.31 C ATOM 470 C ALA A 32 -3.722 4.651 -6.662 1.00 31.11 C ATOM 471 O ALA A 32 -4.098 3.503 -6.917 1.00 75.43 O ATOM 472 CB ALA A 32 -5.060 6.527 -7.670 1.00 31.40 C ATOM 0 H ALA A 32 -4.175 7.671 -5.682 1.00 2.42 H new ATOM 0 HA ALA A 32 -5.647 5.304 -6.002 1.00 21.31 H new ATOM 0 HB1 ALA A 32 -5.420 5.826 -8.423 1.00 31.40 H new ATOM 0 HB2 ALA A 32 -5.829 7.273 -7.472 1.00 31.40 H new ATOM 0 HB3 ALA A 32 -4.160 7.022 -8.036 1.00 31.40 H new ATOM 478 N GLU A 33 -2.433 4.992 -6.619 1.00 43.02 N ATOM 479 CA GLU A 33 -1.363 4.007 -6.831 1.00 63.01 C ATOM 480 C GLU A 33 -1.268 3.044 -5.641 1.00 54.34 C ATOM 481 O GLU A 33 -1.086 1.837 -5.814 1.00 24.23 O ATOM 482 CB GLU A 33 -0.014 4.712 -7.058 1.00 34.52 C ATOM 483 CG GLU A 33 0.001 5.650 -8.263 1.00 3.31 C ATOM 484 CD GLU A 33 -0.369 4.951 -9.565 1.00 11.30 C ATOM 485 OE1 GLU A 33 0.521 4.358 -10.206 1.00 22.12 O ATOM 486 OE2 GLU A 33 -1.558 4.994 -9.952 1.00 61.52 O ATOM 0 H GLU A 33 -2.102 5.940 -6.440 1.00 43.02 H new ATOM 0 HA GLU A 33 -1.606 3.429 -7.723 1.00 63.01 H new ATOM 0 HB2 GLU A 33 0.242 5.281 -6.164 1.00 34.52 H new ATOM 0 HB3 GLU A 33 0.762 3.957 -7.188 1.00 34.52 H new ATOM 0 HG2 GLU A 33 -0.695 6.470 -8.087 1.00 3.31 H new ATOM 0 HG3 GLU A 33 0.993 6.090 -8.362 1.00 3.31 H new ATOM 493 N LEU A 34 -1.400 3.582 -4.432 1.00 52.15 N ATOM 494 CA LEU A 34 -1.448 2.756 -3.223 1.00 12.44 C ATOM 495 C LEU A 34 -2.623 1.766 -3.291 1.00 23.41 C ATOM 496 O LEU A 34 -2.465 0.573 -3.023 1.00 34.53 O ATOM 497 CB LEU A 34 -1.575 3.642 -1.976 1.00 22.45 C ATOM 498 CG LEU A 34 -0.410 4.620 -1.742 1.00 74.44 C ATOM 499 CD1 LEU A 34 -0.681 5.506 -0.530 1.00 65.24 C ATOM 500 CD2 LEU A 34 0.907 3.864 -1.578 1.00 41.33 C ATOM 0 H LEU A 34 -1.476 4.585 -4.260 1.00 52.15 H new ATOM 0 HA LEU A 34 -0.520 2.189 -3.158 1.00 12.44 H new ATOM 0 HB2 LEU A 34 -2.499 4.215 -2.050 1.00 22.45 H new ATOM 0 HB3 LEU A 34 -1.669 2.998 -1.101 1.00 22.45 H new ATOM 0 HG LEU A 34 -0.325 5.263 -2.618 1.00 74.44 H new ATOM 0 HD11 LEU A 34 0.156 6.189 -0.384 1.00 65.24 H new ATOM 0 HD12 LEU A 34 -1.593 6.080 -0.695 1.00 65.24 H new ATOM 0 HD13 LEU A 34 -0.800 4.883 0.357 1.00 65.24 H new ATOM 0 HD21 LEU A 34 1.717 4.575 -1.414 1.00 41.33 H new ATOM 0 HD22 LEU A 34 0.836 3.191 -0.724 1.00 41.33 H new ATOM 0 HD23 LEU A 34 1.109 3.286 -2.480 1.00 41.33 H new ATOM 512 N LYS A 35 -3.803 2.272 -3.664 1.00 63.54 N ATOM 513 CA LYS A 35 -4.990 1.425 -3.849 1.00 13.21 C ATOM 514 C LYS A 35 -4.754 0.353 -4.925 1.00 23.32 C ATOM 515 O LYS A 35 -5.274 -0.761 -4.830 1.00 15.14 O ATOM 516 CB LYS A 35 -6.218 2.275 -4.221 1.00 23.32 C ATOM 517 CG LYS A 35 -6.659 3.243 -3.124 1.00 74.13 C ATOM 518 CD LYS A 35 -7.992 3.919 -3.457 1.00 14.45 C ATOM 519 CE LYS A 35 -8.461 4.839 -2.335 1.00 52.00 C ATOM 520 NZ LYS A 35 -9.821 5.386 -2.590 1.00 62.11 N ATOM 0 H LYS A 35 -3.963 3.263 -3.844 1.00 63.54 H new ATOM 0 HA LYS A 35 -5.180 0.924 -2.900 1.00 13.21 H new ATOM 0 HB2 LYS A 35 -5.994 2.843 -5.124 1.00 23.32 H new ATOM 0 HB3 LYS A 35 -7.048 1.610 -4.460 1.00 23.32 H new ATOM 0 HG2 LYS A 35 -6.751 2.704 -2.181 1.00 74.13 H new ATOM 0 HG3 LYS A 35 -5.892 4.004 -2.982 1.00 74.13 H new ATOM 0 HD2 LYS A 35 -7.887 4.494 -4.377 1.00 14.45 H new ATOM 0 HD3 LYS A 35 -8.749 3.157 -3.641 1.00 14.45 H new ATOM 0 HE2 LYS A 35 -8.463 4.290 -1.393 1.00 52.00 H new ATOM 0 HE3 LYS A 35 -7.755 5.662 -2.223 1.00 52.00 H new ATOM 0 HZ1 LYS A 35 -10.099 6.006 -1.802 1.00 62.11 H new ATOM 0 HZ2 LYS A 35 -9.815 5.932 -3.475 1.00 62.11 H new ATOM 0 HZ3 LYS A 35 -10.501 4.603 -2.671 1.00 62.11 H new ATOM 534 N GLN A 36 -3.967 0.699 -5.943 1.00 2.54 N ATOM 535 CA GLN A 36 -3.626 -0.235 -7.020 1.00 4.55 C ATOM 536 C GLN A 36 -2.878 -1.459 -6.469 1.00 52.23 C ATOM 537 O GLN A 36 -3.216 -2.600 -6.786 1.00 11.14 O ATOM 538 CB GLN A 36 -2.792 0.500 -8.091 1.00 70.11 C ATOM 539 CG GLN A 36 -2.395 -0.340 -9.309 1.00 21.21 C ATOM 540 CD GLN A 36 -1.158 -1.198 -9.082 1.00 73.32 C ATOM 541 OE1 GLN A 36 -0.273 -0.850 -8.308 1.00 1.13 O ATOM 542 NE2 GLN A 36 -1.080 -2.319 -9.767 1.00 62.23 N ATOM 0 H GLN A 36 -3.551 1.624 -6.046 1.00 2.54 H new ATOM 0 HA GLN A 36 -4.543 -0.601 -7.481 1.00 4.55 H new ATOM 0 HB2 GLN A 36 -3.358 1.365 -8.437 1.00 70.11 H new ATOM 0 HB3 GLN A 36 -1.884 0.880 -7.622 1.00 70.11 H new ATOM 0 HG2 GLN A 36 -3.230 -0.986 -9.582 1.00 21.21 H new ATOM 0 HG3 GLN A 36 -2.216 0.324 -10.155 1.00 21.21 H new ATOM 0 HE21 GLN A 36 -1.833 -2.581 -10.403 1.00 62.23 H new ATOM 0 HE22 GLN A 36 -0.267 -2.926 -9.662 1.00 62.23 H new ATOM 551 N GLU A 37 -1.866 -1.225 -5.637 1.00 23.04 N ATOM 552 CA GLU A 37 -1.134 -2.322 -4.998 1.00 21.42 C ATOM 553 C GLU A 37 -2.007 -3.079 -3.980 1.00 71.31 C ATOM 554 O GLU A 37 -1.944 -4.309 -3.883 1.00 31.53 O ATOM 555 CB GLU A 37 0.139 -1.808 -4.313 1.00 14.53 C ATOM 556 CG GLU A 37 1.248 -1.397 -5.277 1.00 50.14 C ATOM 557 CD GLU A 37 2.602 -1.287 -4.592 1.00 11.31 C ATOM 558 OE1 GLU A 37 3.155 -2.343 -4.198 1.00 11.44 O ATOM 559 OE2 GLU A 37 3.120 -0.163 -4.452 1.00 52.30 O ATOM 0 H GLU A 37 -1.534 -0.293 -5.389 1.00 23.04 H new ATOM 0 HA GLU A 37 -0.855 -3.019 -5.788 1.00 21.42 H new ATOM 0 HB2 GLU A 37 -0.119 -0.953 -3.688 1.00 14.53 H new ATOM 0 HB3 GLU A 37 0.520 -2.585 -3.650 1.00 14.53 H new ATOM 0 HG2 GLU A 37 1.311 -2.125 -6.085 1.00 50.14 H new ATOM 0 HG3 GLU A 37 0.995 -0.439 -5.730 1.00 50.14 H new ATOM 566 N LEU A 38 -2.822 -2.341 -3.228 1.00 1.43 N ATOM 567 CA LEU A 38 -3.721 -2.941 -2.230 1.00 52.33 C ATOM 568 C LEU A 38 -4.671 -3.973 -2.860 1.00 70.42 C ATOM 569 O LEU A 38 -4.716 -5.129 -2.435 1.00 31.23 O ATOM 570 CB LEU A 38 -4.543 -1.849 -1.533 1.00 32.15 C ATOM 571 CG LEU A 38 -3.748 -0.880 -0.644 1.00 20.10 C ATOM 572 CD1 LEU A 38 -4.606 0.314 -0.260 1.00 21.04 C ATOM 573 CD2 LEU A 38 -3.228 -1.578 0.611 1.00 53.10 C ATOM 0 H LEU A 38 -2.882 -1.324 -3.287 1.00 1.43 H new ATOM 0 HA LEU A 38 -3.097 -3.457 -1.501 1.00 52.33 H new ATOM 0 HB2 LEU A 38 -5.063 -1.269 -2.296 1.00 32.15 H new ATOM 0 HB3 LEU A 38 -5.307 -2.330 -0.922 1.00 32.15 H new ATOM 0 HG LEU A 38 -2.890 -0.531 -1.218 1.00 20.10 H new ATOM 0 HD11 LEU A 38 -4.028 0.990 0.370 1.00 21.04 H new ATOM 0 HD12 LEU A 38 -4.923 0.839 -1.161 1.00 21.04 H new ATOM 0 HD13 LEU A 38 -5.484 -0.030 0.287 1.00 21.04 H new ATOM 0 HD21 LEU A 38 -2.670 -0.866 1.219 1.00 53.10 H new ATOM 0 HD22 LEU A 38 -4.069 -1.966 1.186 1.00 53.10 H new ATOM 0 HD23 LEU A 38 -2.574 -2.401 0.325 1.00 53.10 H new ATOM 585 N LYS A 39 -5.421 -3.549 -3.879 1.00 74.14 N ATOM 586 CA LYS A 39 -6.421 -4.410 -4.526 1.00 51.25 C ATOM 587 C LYS A 39 -5.803 -5.711 -5.076 1.00 14.15 C ATOM 588 O LYS A 39 -6.469 -6.747 -5.130 1.00 75.13 O ATOM 589 CB LYS A 39 -7.135 -3.646 -5.653 1.00 22.31 C ATOM 590 CG LYS A 39 -6.242 -3.303 -6.845 1.00 20.43 C ATOM 591 CD LYS A 39 -6.971 -2.447 -7.881 1.00 32.13 C ATOM 592 CE LYS A 39 -7.429 -1.115 -7.297 1.00 31.43 C ATOM 593 NZ LYS A 39 -8.043 -0.237 -8.327 1.00 34.21 N ATOM 0 H LYS A 39 -5.357 -2.612 -4.277 1.00 74.14 H new ATOM 0 HA LYS A 39 -7.146 -4.691 -3.762 1.00 51.25 H new ATOM 0 HB2 LYS A 39 -7.976 -4.243 -6.004 1.00 22.31 H new ATOM 0 HB3 LYS A 39 -7.547 -2.723 -5.246 1.00 22.31 H new ATOM 0 HG2 LYS A 39 -5.357 -2.772 -6.494 1.00 20.43 H new ATOM 0 HG3 LYS A 39 -5.895 -4.223 -7.315 1.00 20.43 H new ATOM 0 HD2 LYS A 39 -6.312 -2.264 -8.729 1.00 32.13 H new ATOM 0 HD3 LYS A 39 -7.835 -2.993 -8.260 1.00 32.13 H new ATOM 0 HE2 LYS A 39 -8.150 -1.297 -6.500 1.00 31.43 H new ATOM 0 HE3 LYS A 39 -6.578 -0.605 -6.847 1.00 31.43 H new ATOM 0 HZ1 LYS A 39 -8.340 0.658 -7.888 1.00 34.21 H new ATOM 0 HZ2 LYS A 39 -7.348 -0.041 -9.075 1.00 34.21 H new ATOM 0 HZ3 LYS A 39 -8.871 -0.712 -8.739 1.00 34.21 H new ATOM 607 N LEU A 40 -4.535 -5.649 -5.482 1.00 23.21 N ATOM 608 CA LEU A 40 -3.815 -6.833 -5.971 1.00 12.32 C ATOM 609 C LEU A 40 -3.565 -7.844 -4.840 1.00 44.34 C ATOM 610 O LEU A 40 -3.666 -9.056 -5.040 1.00 55.30 O ATOM 611 CB LEU A 40 -2.477 -6.424 -6.606 1.00 20.00 C ATOM 612 CG LEU A 40 -2.581 -5.528 -7.854 1.00 3.41 C ATOM 613 CD1 LEU A 40 -1.193 -5.190 -8.393 1.00 54.15 C ATOM 614 CD2 LEU A 40 -3.434 -6.197 -8.932 1.00 25.02 C ATOM 0 H LEU A 40 -3.982 -4.792 -5.483 1.00 23.21 H new ATOM 0 HA LEU A 40 -4.441 -7.310 -6.725 1.00 12.32 H new ATOM 0 HB2 LEU A 40 -1.883 -5.903 -5.855 1.00 20.00 H new ATOM 0 HB3 LEU A 40 -1.931 -7.328 -6.874 1.00 20.00 H new ATOM 0 HG LEU A 40 -3.069 -4.597 -7.565 1.00 3.41 H new ATOM 0 HD11 LEU A 40 -1.289 -4.556 -9.275 1.00 54.15 H new ATOM 0 HD12 LEU A 40 -0.624 -4.663 -7.627 1.00 54.15 H new ATOM 0 HD13 LEU A 40 -0.673 -6.110 -8.662 1.00 54.15 H new ATOM 0 HD21 LEU A 40 -3.494 -5.546 -9.804 1.00 25.02 H new ATOM 0 HD22 LEU A 40 -2.981 -7.146 -9.218 1.00 25.02 H new ATOM 0 HD23 LEU A 40 -4.437 -6.376 -8.544 1.00 25.02 H new ATOM 626 N ARG A 41 -3.243 -7.345 -3.648 1.00 74.34 N ATOM 627 CA ARG A 41 -2.966 -8.219 -2.501 1.00 53.22 C ATOM 628 C ARG A 41 -4.175 -8.325 -1.548 1.00 44.35 C ATOM 629 O ARG A 41 -4.020 -8.670 -0.378 1.00 61.51 O ATOM 630 CB ARG A 41 -1.715 -7.740 -1.739 1.00 32.15 C ATOM 631 CG ARG A 41 -0.397 -7.994 -2.486 1.00 43.14 C ATOM 632 CD ARG A 41 0.009 -6.839 -3.398 1.00 72.12 C ATOM 633 NE ARG A 41 0.559 -5.717 -2.644 1.00 31.13 N ATOM 634 CZ ARG A 41 1.386 -4.833 -3.136 1.00 33.01 C ATOM 635 NH1 ARG A 41 1.768 -4.889 -4.371 1.00 44.01 N ATOM 636 NH2 ARG A 41 1.838 -3.887 -2.385 1.00 22.54 N ATOM 0 H ARG A 41 -3.167 -6.348 -3.448 1.00 74.34 H new ATOM 0 HA ARG A 41 -2.775 -9.217 -2.895 1.00 53.22 H new ATOM 0 HB2 ARG A 41 -1.809 -6.672 -1.540 1.00 32.15 H new ATOM 0 HB3 ARG A 41 -1.676 -8.242 -0.772 1.00 32.15 H new ATOM 0 HG2 ARG A 41 0.396 -8.171 -1.760 1.00 43.14 H new ATOM 0 HG3 ARG A 41 -0.493 -8.902 -3.081 1.00 43.14 H new ATOM 0 HD2 ARG A 41 0.748 -7.188 -4.119 1.00 72.12 H new ATOM 0 HD3 ARG A 41 -0.858 -6.504 -3.967 1.00 72.12 H new ATOM 0 HE ARG A 41 0.279 -5.616 -1.668 1.00 31.13 H new ATOM 0 HH11 ARG A 41 1.423 -5.632 -4.978 1.00 44.01 H new ATOM 0 HH12 ARG A 41 2.414 -4.190 -4.737 1.00 44.01 H new ATOM 0 HH21 ARG A 41 1.550 -3.830 -1.408 1.00 22.54 H new ATOM 0 HH22 ARG A 41 2.484 -3.196 -2.768 1.00 22.54 H new ATOM 650 N SER A 42 -5.376 -8.041 -2.067 1.00 35.15 N ATOM 651 CA SER A 42 -6.636 -8.211 -1.308 1.00 21.21 C ATOM 652 C SER A 42 -6.697 -7.310 -0.058 1.00 34.44 C ATOM 653 O SER A 42 -7.377 -7.624 0.922 1.00 54.10 O ATOM 654 CB SER A 42 -6.822 -9.686 -0.908 1.00 74.43 C ATOM 655 OG SER A 42 -8.036 -9.885 -0.193 1.00 60.44 O ATOM 0 H SER A 42 -5.509 -7.690 -3.015 1.00 35.15 H new ATOM 0 HA SER A 42 -7.450 -7.906 -1.966 1.00 21.21 H new ATOM 0 HB2 SER A 42 -6.819 -10.309 -1.802 1.00 74.43 H new ATOM 0 HB3 SER A 42 -5.980 -10.006 -0.294 1.00 74.43 H new ATOM 0 HG SER A 42 -8.129 -9.192 0.494 1.00 60.44 H new ATOM 661 N LEU A 43 -6.009 -6.180 -0.113 1.00 34.01 N ATOM 662 CA LEU A 43 -5.962 -5.231 1.007 1.00 23.21 C ATOM 663 C LEU A 43 -7.041 -4.135 0.879 1.00 13.22 C ATOM 664 O LEU A 43 -7.346 -3.682 -0.226 1.00 2.11 O ATOM 665 CB LEU A 43 -4.571 -4.589 1.062 1.00 1.33 C ATOM 666 CG LEU A 43 -3.420 -5.530 1.448 1.00 13.02 C ATOM 667 CD1 LEU A 43 -2.069 -4.890 1.129 1.00 44.05 C ATOM 668 CD2 LEU A 43 -3.508 -5.889 2.927 1.00 3.21 C ATOM 0 H LEU A 43 -5.468 -5.889 -0.927 1.00 34.01 H new ATOM 0 HA LEU A 43 -6.162 -5.780 1.927 1.00 23.21 H new ATOM 0 HB2 LEU A 43 -4.351 -4.157 0.086 1.00 1.33 H new ATOM 0 HB3 LEU A 43 -4.598 -3.766 1.776 1.00 1.33 H new ATOM 0 HG LEU A 43 -3.508 -6.445 0.862 1.00 13.02 H new ATOM 0 HD11 LEU A 43 -1.267 -5.573 1.410 1.00 44.05 H new ATOM 0 HD12 LEU A 43 -2.009 -4.680 0.061 1.00 44.05 H new ATOM 0 HD13 LEU A 43 -1.966 -3.960 1.688 1.00 44.05 H new ATOM 0 HD21 LEU A 43 -2.687 -6.556 3.189 1.00 3.21 H new ATOM 0 HD22 LEU A 43 -3.443 -4.981 3.526 1.00 3.21 H new ATOM 0 HD23 LEU A 43 -4.457 -6.387 3.125 1.00 3.21 H new ATOM 680 N PRO A 44 -7.639 -3.697 2.011 1.00 62.11 N ATOM 681 CA PRO A 44 -8.645 -2.616 2.016 1.00 42.24 C ATOM 682 C PRO A 44 -8.121 -1.304 1.398 1.00 51.43 C ATOM 683 O PRO A 44 -7.153 -0.715 1.886 1.00 5.13 O ATOM 684 CB PRO A 44 -8.965 -2.422 3.509 1.00 31.54 C ATOM 685 CG PRO A 44 -8.575 -3.709 4.154 1.00 22.12 C ATOM 686 CD PRO A 44 -7.404 -4.232 3.367 1.00 11.04 C ATOM 0 HA PRO A 44 -9.514 -2.878 1.412 1.00 42.24 H new ATOM 0 HB2 PRO A 44 -8.406 -1.585 3.928 1.00 31.54 H new ATOM 0 HB3 PRO A 44 -10.023 -2.208 3.662 1.00 31.54 H new ATOM 0 HG2 PRO A 44 -8.305 -3.555 5.199 1.00 22.12 H new ATOM 0 HG3 PRO A 44 -9.402 -4.419 4.140 1.00 22.12 H new ATOM 0 HD2 PRO A 44 -6.456 -3.884 3.778 1.00 11.04 H new ATOM 0 HD3 PRO A 44 -7.372 -5.322 3.370 1.00 11.04 H new ATOM 694 N VAL A 45 -8.769 -0.847 0.330 1.00 44.34 N ATOM 695 CA VAL A 45 -8.354 0.379 -0.368 1.00 40.50 C ATOM 696 C VAL A 45 -8.964 1.651 0.256 1.00 34.11 C ATOM 697 O VAL A 45 -8.475 2.757 0.030 1.00 32.14 O ATOM 698 CB VAL A 45 -8.736 0.316 -1.869 1.00 41.51 C ATOM 699 CG1 VAL A 45 -8.018 -0.839 -2.568 1.00 22.14 C ATOM 700 CG2 VAL A 45 -10.249 0.193 -2.036 1.00 62.41 C ATOM 0 H VAL A 45 -9.586 -1.304 -0.076 1.00 44.34 H new ATOM 0 HA VAL A 45 -7.271 0.437 -0.264 1.00 40.50 H new ATOM 0 HB VAL A 45 -8.415 1.246 -2.339 1.00 41.51 H new ATOM 0 HG11 VAL A 45 -8.303 -0.861 -3.620 1.00 22.14 H new ATOM 0 HG12 VAL A 45 -6.940 -0.700 -2.487 1.00 22.14 H new ATOM 0 HG13 VAL A 45 -8.298 -1.781 -2.096 1.00 22.14 H new ATOM 0 HG21 VAL A 45 -10.496 0.150 -3.097 1.00 62.41 H new ATOM 0 HG22 VAL A 45 -10.596 -0.716 -1.546 1.00 62.41 H new ATOM 0 HG23 VAL A 45 -10.736 1.057 -1.585 1.00 62.41 H new ATOM 710 N SER A 46 -10.008 1.487 1.069 1.00 20.40 N ATOM 711 CA SER A 46 -10.772 2.626 1.620 1.00 41.24 C ATOM 712 C SER A 46 -10.061 3.340 2.790 1.00 4.11 C ATOM 713 O SER A 46 -10.718 3.820 3.715 1.00 63.43 O ATOM 714 CB SER A 46 -12.152 2.141 2.091 1.00 73.04 C ATOM 715 OG SER A 46 -12.894 1.575 1.020 1.00 55.25 O ATOM 0 H SER A 46 -10.352 0.574 1.367 1.00 20.40 H new ATOM 0 HA SER A 46 -10.865 3.354 0.814 1.00 41.24 H new ATOM 0 HB2 SER A 46 -12.029 1.401 2.882 1.00 73.04 H new ATOM 0 HB3 SER A 46 -12.707 2.976 2.519 1.00 73.04 H new ATOM 0 HG SER A 46 -13.766 1.274 1.350 1.00 55.25 H new ATOM 721 N GLY A 47 -8.734 3.445 2.741 1.00 64.14 N ATOM 722 CA GLY A 47 -7.995 4.154 3.792 1.00 73.50 C ATOM 723 C GLY A 47 -7.352 5.449 3.297 1.00 73.12 C ATOM 724 O GLY A 47 -7.423 5.772 2.110 1.00 44.45 O ATOM 0 H GLY A 47 -8.153 3.056 1.998 1.00 64.14 H new ATOM 0 HA2 GLY A 47 -8.673 4.382 4.615 1.00 73.50 H new ATOM 0 HA3 GLY A 47 -7.220 3.498 4.190 1.00 73.50 H new ATOM 728 N THR A 48 -6.723 6.196 4.206 1.00 74.04 N ATOM 729 CA THR A 48 -6.028 7.444 3.845 1.00 40.00 C ATOM 730 C THR A 48 -4.618 7.173 3.305 1.00 70.33 C ATOM 731 O THR A 48 -4.111 6.055 3.405 1.00 4.45 O ATOM 732 CB THR A 48 -5.907 8.407 5.052 1.00 13.42 C ATOM 733 OG1 THR A 48 -5.117 7.801 6.084 1.00 11.34 O ATOM 734 CG2 THR A 48 -7.280 8.776 5.602 1.00 74.23 C ATOM 0 H THR A 48 -6.678 5.963 5.198 1.00 74.04 H new ATOM 0 HA THR A 48 -6.635 7.908 3.068 1.00 40.00 H new ATOM 0 HB THR A 48 -5.420 9.320 4.709 1.00 13.42 H new ATOM 0 HG1 THR A 48 -5.694 7.259 6.662 1.00 11.34 H new ATOM 0 HG21 THR A 48 -7.163 9.453 6.448 1.00 74.23 H new ATOM 0 HG22 THR A 48 -7.864 9.266 4.823 1.00 74.23 H new ATOM 0 HG23 THR A 48 -7.796 7.873 5.928 1.00 74.23 H new ATOM 742 N LYS A 49 -3.988 8.213 2.754 1.00 70.42 N ATOM 743 CA LYS A 49 -2.634 8.119 2.181 1.00 33.32 C ATOM 744 C LYS A 49 -1.673 7.322 3.084 1.00 65.32 C ATOM 745 O LYS A 49 -1.126 6.301 2.673 1.00 30.42 O ATOM 746 CB LYS A 49 -2.079 9.534 1.938 1.00 42.24 C ATOM 747 CG LYS A 49 -0.624 9.579 1.456 1.00 52.12 C ATOM 748 CD LYS A 49 -0.459 9.030 0.041 1.00 64.51 C ATOM 749 CE LYS A 49 1.001 9.066 -0.410 1.00 13.14 C ATOM 750 NZ LYS A 49 1.544 10.451 -0.448 1.00 53.12 N ATOM 0 H LYS A 49 -4.397 9.145 2.690 1.00 70.42 H new ATOM 0 HA LYS A 49 -2.709 7.580 1.236 1.00 33.32 H new ATOM 0 HB2 LYS A 49 -2.707 10.034 1.201 1.00 42.24 H new ATOM 0 HB3 LYS A 49 -2.158 10.104 2.863 1.00 42.24 H new ATOM 0 HG2 LYS A 49 -0.266 10.608 1.487 1.00 52.12 H new ATOM 0 HG3 LYS A 49 -0.000 9.004 2.140 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.827 8.005 0.003 1.00 64.51 H new ATOM 0 HD3 LYS A 49 -1.068 9.613 -0.650 1.00 64.51 H new ATOM 0 HE2 LYS A 49 1.603 8.460 0.267 1.00 13.14 H new ATOM 0 HE3 LYS A 49 1.085 8.617 -1.400 1.00 13.14 H new ATOM 0 HZ1 LYS A 49 2.558 10.420 -0.677 1.00 53.12 H new ATOM 0 HZ2 LYS A 49 1.042 11.001 -1.174 1.00 53.12 H new ATOM 0 HZ3 LYS A 49 1.412 10.901 0.480 1.00 53.12 H new ATOM 764 N THR A 50 -1.481 7.795 4.313 1.00 44.42 N ATOM 765 CA THR A 50 -0.548 7.162 5.254 1.00 71.33 C ATOM 766 C THR A 50 -1.002 5.749 5.667 1.00 3.22 C ATOM 767 O THR A 50 -0.175 4.841 5.809 1.00 32.42 O ATOM 768 CB THR A 50 -0.349 8.038 6.514 1.00 12.13 C ATOM 769 OG1 THR A 50 0.156 9.331 6.132 1.00 25.01 O ATOM 770 CG2 THR A 50 0.619 7.392 7.502 1.00 42.13 C ATOM 0 H THR A 50 -1.958 8.616 4.685 1.00 44.42 H new ATOM 0 HA THR A 50 0.403 7.067 4.730 1.00 71.33 H new ATOM 0 HB THR A 50 -1.318 8.141 7.003 1.00 12.13 H new ATOM 0 HG1 THR A 50 0.279 9.883 6.932 1.00 25.01 H new ATOM 0 HG21 THR A 50 0.733 8.036 8.374 1.00 42.13 H new ATOM 0 HG22 THR A 50 0.227 6.424 7.815 1.00 42.13 H new ATOM 0 HG23 THR A 50 1.589 7.253 7.024 1.00 42.13 H new ATOM 778 N GLU A 51 -2.313 5.559 5.850 1.00 30.12 N ATOM 779 CA GLU A 51 -2.861 4.236 6.195 1.00 55.42 C ATOM 780 C GLU A 51 -2.500 3.183 5.137 1.00 3.10 C ATOM 781 O GLU A 51 -1.993 2.109 5.463 1.00 33.05 O ATOM 782 CB GLU A 51 -4.390 4.296 6.347 1.00 64.21 C ATOM 783 CG GLU A 51 -4.870 5.010 7.607 1.00 74.43 C ATOM 784 CD GLU A 51 -6.387 5.019 7.729 1.00 53.34 C ATOM 785 OE1 GLU A 51 -6.955 4.053 8.277 1.00 20.02 O ATOM 786 OE2 GLU A 51 -7.021 5.989 7.263 1.00 62.34 O ATOM 0 H GLU A 51 -3.013 6.296 5.767 1.00 30.12 H new ATOM 0 HA GLU A 51 -2.414 3.946 7.146 1.00 55.42 H new ATOM 0 HB2 GLU A 51 -4.810 4.799 5.476 1.00 64.21 H new ATOM 0 HB3 GLU A 51 -4.783 3.279 6.348 1.00 64.21 H new ATOM 0 HG2 GLU A 51 -4.441 4.523 8.483 1.00 74.43 H new ATOM 0 HG3 GLU A 51 -4.503 6.036 7.601 1.00 74.43 H new ATOM 793 N LEU A 52 -2.764 3.500 3.871 1.00 64.45 N ATOM 794 CA LEU A 52 -2.514 2.566 2.768 1.00 55.40 C ATOM 795 C LEU A 52 -1.032 2.160 2.700 1.00 32.13 C ATOM 796 O LEU A 52 -0.706 1.005 2.420 1.00 75.14 O ATOM 797 CB LEU A 52 -2.948 3.189 1.435 1.00 75.12 C ATOM 798 CG LEU A 52 -4.379 3.760 1.405 1.00 35.45 C ATOM 799 CD1 LEU A 52 -4.769 4.176 -0.009 1.00 11.53 C ATOM 800 CD2 LEU A 52 -5.384 2.763 1.981 1.00 21.34 C ATOM 0 H LEU A 52 -3.152 4.397 3.580 1.00 64.45 H new ATOM 0 HA LEU A 52 -3.102 1.668 2.954 1.00 55.40 H new ATOM 0 HB2 LEU A 52 -2.251 3.988 1.183 1.00 75.12 H new ATOM 0 HB3 LEU A 52 -2.861 2.433 0.655 1.00 75.12 H new ATOM 0 HG LEU A 52 -4.397 4.649 2.035 1.00 35.45 H new ATOM 0 HD11 LEU A 52 -5.783 4.576 -0.004 1.00 11.53 H new ATOM 0 HD12 LEU A 52 -4.079 4.941 -0.367 1.00 11.53 H new ATOM 0 HD13 LEU A 52 -4.724 3.309 -0.669 1.00 11.53 H new ATOM 0 HD21 LEU A 52 -6.385 3.194 1.947 1.00 21.34 H new ATOM 0 HD22 LEU A 52 -5.364 1.845 1.393 1.00 21.34 H new ATOM 0 HD23 LEU A 52 -5.121 2.538 3.015 1.00 21.34 H new ATOM 812 N ILE A 53 -0.144 3.117 2.967 1.00 15.42 N ATOM 813 CA ILE A 53 1.300 2.852 3.026 1.00 21.11 C ATOM 814 C ILE A 53 1.622 1.771 4.069 1.00 71.05 C ATOM 815 O ILE A 53 2.198 0.729 3.749 1.00 33.54 O ATOM 816 CB ILE A 53 2.088 4.140 3.377 1.00 52.00 C ATOM 817 CG1 ILE A 53 1.786 5.247 2.355 1.00 10.53 C ATOM 818 CG2 ILE A 53 3.593 3.858 3.438 1.00 73.43 C ATOM 819 CD1 ILE A 53 2.312 6.608 2.761 1.00 55.22 C ATOM 0 H ILE A 53 -0.397 4.088 3.147 1.00 15.42 H new ATOM 0 HA ILE A 53 1.602 2.501 2.039 1.00 21.11 H new ATOM 0 HB ILE A 53 1.767 4.480 4.362 1.00 52.00 H new ATOM 0 HG12 ILE A 53 2.220 4.971 1.394 1.00 10.53 H new ATOM 0 HG13 ILE A 53 0.708 5.312 2.211 1.00 10.53 H new ATOM 0 HG21 ILE A 53 4.125 4.776 3.686 1.00 73.43 H new ATOM 0 HG22 ILE A 53 3.792 3.106 4.202 1.00 73.43 H new ATOM 0 HG23 ILE A 53 3.934 3.491 2.470 1.00 73.43 H new ATOM 0 HD11 ILE A 53 2.062 7.339 1.992 1.00 55.22 H new ATOM 0 HD12 ILE A 53 1.859 6.906 3.706 1.00 55.22 H new ATOM 0 HD13 ILE A 53 3.395 6.560 2.877 1.00 55.22 H new ATOM 831 N GLU A 54 1.233 2.024 5.318 1.00 50.11 N ATOM 832 CA GLU A 54 1.471 1.074 6.413 1.00 3.31 C ATOM 833 C GLU A 54 0.680 -0.229 6.222 1.00 53.11 C ATOM 834 O GLU A 54 1.059 -1.278 6.744 1.00 71.41 O ATOM 835 CB GLU A 54 1.115 1.715 7.763 1.00 23.15 C ATOM 836 CG GLU A 54 1.991 2.915 8.117 1.00 33.04 C ATOM 837 CD GLU A 54 1.710 3.465 9.509 1.00 50.42 C ATOM 838 OE1 GLU A 54 2.073 2.792 10.497 1.00 4.55 O ATOM 839 OE2 GLU A 54 1.124 4.567 9.621 1.00 33.35 O ATOM 0 H GLU A 54 0.751 2.878 5.601 1.00 50.11 H new ATOM 0 HA GLU A 54 2.531 0.822 6.402 1.00 3.31 H new ATOM 0 HB2 GLU A 54 0.072 2.030 7.743 1.00 23.15 H new ATOM 0 HB3 GLU A 54 1.206 0.964 8.548 1.00 23.15 H new ATOM 0 HG2 GLU A 54 3.040 2.625 8.052 1.00 33.04 H new ATOM 0 HG3 GLU A 54 1.832 3.704 7.382 1.00 33.04 H new ATOM 846 N ARG A 55 -0.415 -0.150 5.476 1.00 64.32 N ATOM 847 CA ARG A 55 -1.237 -1.321 5.160 1.00 63.42 C ATOM 848 C ARG A 55 -0.518 -2.243 4.158 1.00 52.13 C ATOM 849 O ARG A 55 -0.495 -3.466 4.325 1.00 70.13 O ATOM 850 CB ARG A 55 -2.591 -0.854 4.615 1.00 33.04 C ATOM 851 CG ARG A 55 -3.606 -1.967 4.384 1.00 22.20 C ATOM 852 CD ARG A 55 -5.004 -1.399 4.158 1.00 55.35 C ATOM 853 NE ARG A 55 -5.473 -0.649 5.324 1.00 52.05 N ATOM 854 CZ ARG A 55 -6.472 0.193 5.319 1.00 32.51 C ATOM 855 NH1 ARG A 55 -7.111 0.453 4.225 1.00 41.54 N ATOM 856 NH2 ARG A 55 -6.821 0.781 6.413 1.00 51.53 N ATOM 0 H ARG A 55 -0.760 0.721 5.073 1.00 64.32 H new ATOM 0 HA ARG A 55 -1.403 -1.901 6.068 1.00 63.42 H new ATOM 0 HB2 ARG A 55 -3.017 -0.132 5.311 1.00 33.04 H new ATOM 0 HB3 ARG A 55 -2.427 -0.330 3.673 1.00 33.04 H new ATOM 0 HG2 ARG A 55 -3.308 -2.561 3.520 1.00 22.20 H new ATOM 0 HG3 ARG A 55 -3.617 -2.637 5.244 1.00 22.20 H new ATOM 0 HD2 ARG A 55 -4.996 -0.748 3.284 1.00 55.35 H new ATOM 0 HD3 ARG A 55 -5.698 -2.212 3.944 1.00 55.35 H new ATOM 0 HE ARG A 55 -4.983 -0.795 6.207 1.00 52.05 H new ATOM 0 HH11 ARG A 55 -6.837 -0.001 3.354 1.00 41.54 H new ATOM 0 HH12 ARG A 55 -7.889 1.112 4.233 1.00 41.54 H new ATOM 0 HH21 ARG A 55 -6.317 0.588 7.279 1.00 51.53 H new ATOM 0 HH22 ARG A 55 -7.601 1.439 6.412 1.00 51.53 H new ATOM 870 N LEU A 56 0.075 -1.650 3.119 1.00 24.31 N ATOM 871 CA LEU A 56 0.948 -2.391 2.197 1.00 51.42 C ATOM 872 C LEU A 56 2.124 -3.014 2.959 1.00 62.04 C ATOM 873 O LEU A 56 2.454 -4.190 2.777 1.00 4.51 O ATOM 874 CB LEU A 56 1.483 -1.463 1.092 1.00 72.52 C ATOM 875 CG LEU A 56 0.444 -0.979 0.069 1.00 51.51 C ATOM 876 CD1 LEU A 56 1.063 0.025 -0.902 1.00 74.45 C ATOM 877 CD2 LEU A 56 -0.151 -2.160 -0.692 1.00 13.03 C ATOM 0 H LEU A 56 -0.031 -0.661 2.893 1.00 24.31 H new ATOM 0 HA LEU A 56 0.359 -3.184 1.737 1.00 51.42 H new ATOM 0 HB2 LEU A 56 1.936 -0.591 1.563 1.00 72.52 H new ATOM 0 HB3 LEU A 56 2.277 -1.985 0.557 1.00 72.52 H new ATOM 0 HG LEU A 56 -0.358 -0.478 0.612 1.00 51.51 H new ATOM 0 HD11 LEU A 56 0.308 0.353 -1.617 1.00 74.45 H new ATOM 0 HD12 LEU A 56 1.436 0.886 -0.347 1.00 74.45 H new ATOM 0 HD13 LEU A 56 1.888 -0.447 -1.436 1.00 74.45 H new ATOM 0 HD21 LEU A 56 -0.885 -1.797 -1.412 1.00 13.03 H new ATOM 0 HD22 LEU A 56 0.642 -2.690 -1.219 1.00 13.03 H new ATOM 0 HD23 LEU A 56 -0.636 -2.838 0.010 1.00 13.03 H new ATOM 889 N ARG A 57 2.744 -2.205 3.819 1.00 2.13 N ATOM 890 CA ARG A 57 3.853 -2.655 4.665 1.00 44.13 C ATOM 891 C ARG A 57 3.427 -3.812 5.579 1.00 12.34 C ATOM 892 O ARG A 57 4.166 -4.775 5.754 1.00 64.41 O ATOM 893 CB ARG A 57 4.377 -1.485 5.509 1.00 51.13 C ATOM 894 CG ARG A 57 4.954 -0.334 4.687 1.00 13.43 C ATOM 895 CD ARG A 57 5.336 0.846 5.571 1.00 3.43 C ATOM 896 NE ARG A 57 6.302 0.467 6.597 1.00 4.31 N ATOM 897 CZ ARG A 57 6.151 0.685 7.877 1.00 70.22 C ATOM 898 NH1 ARG A 57 5.094 1.290 8.323 1.00 14.33 N ATOM 899 NH2 ARG A 57 7.058 0.299 8.708 1.00 31.53 N ATOM 0 H ARG A 57 2.494 -1.225 3.949 1.00 2.13 H new ATOM 0 HA ARG A 57 4.648 -3.017 4.013 1.00 44.13 H new ATOM 0 HB2 ARG A 57 3.564 -1.104 6.127 1.00 51.13 H new ATOM 0 HB3 ARG A 57 5.146 -1.855 6.186 1.00 51.13 H new ATOM 0 HG2 ARG A 57 5.831 -0.680 4.141 1.00 13.43 H new ATOM 0 HG3 ARG A 57 4.223 -0.013 3.945 1.00 13.43 H new ATOM 0 HD2 ARG A 57 5.755 1.641 4.954 1.00 3.43 H new ATOM 0 HD3 ARG A 57 4.441 1.249 6.046 1.00 3.43 H new ATOM 0 HE ARG A 57 7.156 -0.001 6.294 1.00 4.31 H new ATOM 0 HH11 ARG A 57 4.372 1.600 7.673 1.00 14.33 H new ATOM 0 HH12 ARG A 57 4.985 1.456 9.324 1.00 14.33 H new ATOM 0 HH21 ARG A 57 7.893 -0.176 8.367 1.00 31.53 H new ATOM 0 HH22 ARG A 57 6.940 0.469 9.707 1.00 31.53 H new ATOM 913 N ALA A 58 2.223 -3.710 6.146 1.00 24.53 N ATOM 914 CA ALA A 58 1.685 -4.752 7.028 1.00 41.41 C ATOM 915 C ALA A 58 1.576 -6.105 6.307 1.00 5.32 C ATOM 916 O ALA A 58 1.936 -7.144 6.861 1.00 54.21 O ATOM 917 CB ALA A 58 0.323 -4.330 7.574 1.00 31.13 C ATOM 0 H ALA A 58 1.599 -2.914 6.010 1.00 24.53 H new ATOM 0 HA ALA A 58 2.380 -4.876 7.859 1.00 41.41 H new ATOM 0 HB1 ALA A 58 -0.065 -5.112 8.227 1.00 31.13 H new ATOM 0 HB2 ALA A 58 0.429 -3.404 8.139 1.00 31.13 H new ATOM 0 HB3 ALA A 58 -0.368 -4.172 6.746 1.00 31.13 H new ATOM 923 N TYR A 59 1.085 -6.089 5.072 1.00 40.13 N ATOM 924 CA TYR A 59 0.966 -7.313 4.271 1.00 60.35 C ATOM 925 C TYR A 59 2.354 -7.895 3.947 1.00 63.02 C ATOM 926 O TYR A 59 2.600 -9.090 4.129 1.00 64.13 O ATOM 927 CB TYR A 59 0.199 -7.018 2.978 1.00 0.24 C ATOM 928 CG TYR A 59 -0.137 -8.252 2.156 1.00 24.12 C ATOM 929 CD1 TYR A 59 -1.314 -8.965 2.385 1.00 13.54 C ATOM 930 CD2 TYR A 59 0.715 -8.704 1.151 1.00 45.52 C ATOM 931 CE1 TYR A 59 -1.629 -10.083 1.638 1.00 45.44 C ATOM 932 CE2 TYR A 59 0.403 -9.821 0.401 1.00 42.12 C ATOM 933 CZ TYR A 59 -0.766 -10.508 0.648 1.00 22.13 C ATOM 934 OH TYR A 59 -1.074 -11.621 -0.104 1.00 23.13 O ATOM 0 H TYR A 59 0.762 -5.245 4.600 1.00 40.13 H new ATOM 0 HA TYR A 59 0.416 -8.053 4.852 1.00 60.35 H new ATOM 0 HB2 TYR A 59 -0.726 -6.499 3.228 1.00 0.24 H new ATOM 0 HB3 TYR A 59 0.790 -6.337 2.365 1.00 0.24 H new ATOM 0 HD1 TYR A 59 -1.991 -8.637 3.160 1.00 13.54 H new ATOM 0 HD2 TYR A 59 1.634 -8.172 0.955 1.00 45.52 H new ATOM 0 HE1 TYR A 59 -2.546 -10.622 1.827 1.00 45.44 H new ATOM 0 HE2 TYR A 59 1.073 -10.155 -0.377 1.00 42.12 H new ATOM 0 HH TYR A 59 -0.361 -11.782 -0.757 1.00 23.13 H new ATOM 944 N GLN A 60 3.258 -7.035 3.476 1.00 30.34 N ATOM 945 CA GLN A 60 4.633 -7.443 3.157 1.00 3.15 C ATOM 946 C GLN A 60 5.342 -8.001 4.404 1.00 32.32 C ATOM 947 O GLN A 60 6.075 -8.985 4.336 1.00 32.25 O ATOM 948 CB GLN A 60 5.415 -6.244 2.602 1.00 3.42 C ATOM 949 CG GLN A 60 6.792 -6.594 2.040 1.00 63.12 C ATOM 950 CD GLN A 60 6.719 -7.493 0.814 1.00 62.33 C ATOM 951 OE1 GLN A 60 5.758 -7.454 0.056 1.00 12.24 O ATOM 952 NE2 GLN A 60 7.741 -8.300 0.600 1.00 51.33 N ATOM 0 H GLN A 60 3.065 -6.048 3.305 1.00 30.34 H new ATOM 0 HA GLN A 60 4.594 -8.230 2.404 1.00 3.15 H new ATOM 0 HB2 GLN A 60 4.824 -5.773 1.816 1.00 3.42 H new ATOM 0 HB3 GLN A 60 5.537 -5.506 3.395 1.00 3.42 H new ATOM 0 HG2 GLN A 60 7.317 -5.675 1.780 1.00 63.12 H new ATOM 0 HG3 GLN A 60 7.380 -7.089 2.813 1.00 63.12 H new ATOM 0 HE21 GLN A 60 8.528 -8.310 1.249 1.00 51.33 H new ATOM 0 HE22 GLN A 60 7.744 -8.914 -0.215 1.00 51.33 H new ATOM 961 N ASP A 61 5.088 -7.362 5.538 1.00 72.21 N ATOM 962 CA ASP A 61 5.636 -7.769 6.836 1.00 1.41 C ATOM 963 C ASP A 61 5.283 -9.231 7.174 1.00 55.12 C ATOM 964 O ASP A 61 6.019 -9.915 7.889 1.00 2.22 O ATOM 965 CB ASP A 61 5.087 -6.812 7.909 1.00 21.42 C ATOM 966 CG ASP A 61 5.452 -7.202 9.330 1.00 31.52 C ATOM 967 OD1 ASP A 61 6.647 -7.146 9.684 1.00 63.53 O ATOM 968 OD2 ASP A 61 4.540 -7.556 10.105 1.00 61.12 O ATOM 0 H ASP A 61 4.490 -6.537 5.589 1.00 72.21 H new ATOM 0 HA ASP A 61 6.724 -7.713 6.800 1.00 1.41 H new ATOM 0 HB2 ASP A 61 5.462 -5.808 7.711 1.00 21.42 H new ATOM 0 HB3 ASP A 61 4.001 -6.770 7.822 1.00 21.42 H new ATOM 973 N GLN A 62 4.163 -9.705 6.638 1.00 75.32 N ATOM 974 CA GLN A 62 3.676 -11.063 6.910 1.00 61.14 C ATOM 975 C GLN A 62 4.214 -12.094 5.898 1.00 73.53 C ATOM 976 O GLN A 62 4.499 -13.237 6.259 1.00 41.42 O ATOM 977 CB GLN A 62 2.142 -11.061 6.894 1.00 3.31 C ATOM 978 CG GLN A 62 1.534 -10.112 7.919 1.00 63.31 C ATOM 979 CD GLN A 62 0.023 -9.991 7.809 1.00 11.14 C ATOM 980 OE1 GLN A 62 -0.663 -10.917 7.387 1.00 63.52 O ATOM 981 NE2 GLN A 62 -0.509 -8.849 8.196 1.00 63.14 N ATOM 0 H GLN A 62 3.568 -9.168 6.007 1.00 75.32 H new ATOM 0 HA GLN A 62 4.044 -11.360 7.892 1.00 61.14 H new ATOM 0 HB2 GLN A 62 1.796 -10.782 5.899 1.00 3.31 H new ATOM 0 HB3 GLN A 62 1.781 -12.072 7.085 1.00 3.31 H new ATOM 0 HG2 GLN A 62 1.791 -10.457 8.920 1.00 63.31 H new ATOM 0 HG3 GLN A 62 1.980 -9.125 7.798 1.00 63.31 H new ATOM 0 HE21 GLN A 62 0.089 -8.099 8.542 1.00 63.14 H new ATOM 0 HE22 GLN A 62 -1.519 -8.715 8.150 1.00 63.14 H new ATOM 990 N ILE A 63 4.349 -11.691 4.635 1.00 54.15 N ATOM 991 CA ILE A 63 4.773 -12.619 3.572 1.00 31.11 C ATOM 992 C ILE A 63 6.297 -12.615 3.351 1.00 55.14 C ATOM 993 O ILE A 63 6.853 -13.568 2.801 1.00 63.30 O ATOM 994 CB ILE A 63 4.072 -12.299 2.229 1.00 15.14 C ATOM 995 CG1 ILE A 63 4.475 -10.901 1.726 1.00 61.01 C ATOM 996 CG2 ILE A 63 2.552 -12.407 2.380 1.00 3.43 C ATOM 997 CD1 ILE A 63 3.936 -10.568 0.350 1.00 65.45 C ATOM 0 H ILE A 63 4.174 -10.737 4.318 1.00 54.15 H new ATOM 0 HA ILE A 63 4.478 -13.611 3.914 1.00 31.11 H new ATOM 0 HB ILE A 63 4.394 -13.030 1.488 1.00 15.14 H new ATOM 0 HG12 ILE A 63 4.120 -10.154 2.436 1.00 61.01 H new ATOM 0 HG13 ILE A 63 5.563 -10.832 1.707 1.00 61.01 H new ATOM 0 HG21 ILE A 63 2.075 -12.179 1.427 1.00 3.43 H new ATOM 0 HG22 ILE A 63 2.288 -13.419 2.685 1.00 3.43 H new ATOM 0 HG23 ILE A 63 2.210 -11.699 3.135 1.00 3.43 H new ATOM 0 HD11 ILE A 63 4.262 -9.568 0.064 1.00 65.45 H new ATOM 0 HD12 ILE A 63 4.311 -11.292 -0.373 1.00 65.45 H new ATOM 0 HD13 ILE A 63 2.847 -10.604 0.367 1.00 65.45 H new ATOM 1009 N SER A 64 6.971 -11.550 3.777 1.00 53.30 N ATOM 1010 CA SER A 64 8.421 -11.406 3.554 1.00 21.33 C ATOM 1011 C SER A 64 9.242 -12.408 4.378 1.00 12.44 C ATOM 1012 O SER A 64 8.903 -12.705 5.526 1.00 4.24 O ATOM 1013 CB SER A 64 8.888 -9.985 3.897 1.00 50.53 C ATOM 1014 OG SER A 64 10.300 -9.857 3.772 1.00 61.41 O ATOM 0 H SER A 64 6.544 -10.771 4.278 1.00 53.30 H new ATOM 0 HA SER A 64 8.589 -11.610 2.496 1.00 21.33 H new ATOM 0 HB2 SER A 64 8.397 -9.270 3.237 1.00 50.53 H new ATOM 0 HB3 SER A 64 8.588 -9.738 4.915 1.00 50.53 H new ATOM 0 HG SER A 64 10.566 -8.941 3.995 1.00 61.41 H new ATOM 1020 N PRO A 65 10.331 -12.956 3.799 1.00 41.13 N ATOM 1021 CA PRO A 65 11.300 -13.784 4.544 1.00 43.25 C ATOM 1022 C PRO A 65 12.106 -12.954 5.566 1.00 23.13 C ATOM 1023 O PRO A 65 11.781 -11.792 5.834 1.00 32.12 O ATOM 1024 CB PRO A 65 12.230 -14.338 3.444 1.00 63.44 C ATOM 1025 CG PRO A 65 11.508 -14.094 2.156 1.00 50.53 C ATOM 1026 CD PRO A 65 10.695 -12.851 2.376 1.00 5.34 C ATOM 0 HA PRO A 65 10.808 -14.562 5.128 1.00 43.25 H new ATOM 0 HB2 PRO A 65 13.196 -13.833 3.455 1.00 63.44 H new ATOM 0 HB3 PRO A 65 12.424 -15.401 3.591 1.00 63.44 H new ATOM 0 HG2 PRO A 65 12.210 -13.962 1.332 1.00 50.53 H new ATOM 0 HG3 PRO A 65 10.870 -14.939 1.899 1.00 50.53 H new ATOM 0 HD2 PRO A 65 11.270 -11.948 2.170 1.00 5.34 H new ATOM 0 HD3 PRO A 65 9.815 -12.822 1.733 1.00 5.34 H new ATOM 1034 N VAL A 66 13.154 -13.547 6.138 1.00 5.52 N ATOM 1035 CA VAL A 66 14.016 -12.831 7.091 1.00 72.24 C ATOM 1036 C VAL A 66 14.815 -11.703 6.403 1.00 22.23 C ATOM 1037 O VAL A 66 15.478 -11.928 5.390 1.00 60.44 O ATOM 1038 CB VAL A 66 14.993 -13.798 7.813 1.00 10.34 C ATOM 1039 CG1 VAL A 66 14.226 -14.786 8.688 1.00 20.43 C ATOM 1040 CG2 VAL A 66 15.877 -14.540 6.812 1.00 44.11 C ATOM 0 H VAL A 66 13.429 -14.514 5.963 1.00 5.52 H new ATOM 0 HA VAL A 66 13.354 -12.384 7.833 1.00 72.24 H new ATOM 0 HB VAL A 66 15.641 -13.200 8.454 1.00 10.34 H new ATOM 0 HG11 VAL A 66 14.929 -15.454 9.185 1.00 20.43 H new ATOM 0 HG12 VAL A 66 13.653 -14.240 9.438 1.00 20.43 H new ATOM 0 HG13 VAL A 66 13.547 -15.370 8.067 1.00 20.43 H new ATOM 0 HG21 VAL A 66 16.550 -15.209 7.347 1.00 44.11 H new ATOM 0 HG22 VAL A 66 15.251 -15.121 6.134 1.00 44.11 H new ATOM 0 HG23 VAL A 66 16.461 -13.820 6.239 1.00 44.11 H new ATOM 1050 N PRO A 67 14.758 -10.467 6.942 1.00 12.24 N ATOM 1051 CA PRO A 67 15.459 -9.314 6.351 1.00 50.13 C ATOM 1052 C PRO A 67 16.972 -9.300 6.653 1.00 43.35 C ATOM 1053 O PRO A 67 17.787 -9.052 5.765 1.00 35.32 O ATOM 1054 CB PRO A 67 14.755 -8.116 6.997 1.00 13.34 C ATOM 1055 CG PRO A 67 14.296 -8.619 8.328 1.00 73.22 C ATOM 1056 CD PRO A 67 13.996 -10.090 8.153 1.00 45.22 C ATOM 0 HA PRO A 67 15.411 -9.323 5.262 1.00 50.13 H new ATOM 0 HB2 PRO A 67 15.433 -7.270 7.106 1.00 13.34 H new ATOM 0 HB3 PRO A 67 13.915 -7.776 6.391 1.00 13.34 H new ATOM 0 HG2 PRO A 67 15.065 -8.468 9.086 1.00 73.22 H new ATOM 0 HG3 PRO A 67 13.409 -8.080 8.661 1.00 73.22 H new ATOM 0 HD2 PRO A 67 14.313 -10.668 9.021 1.00 45.22 H new ATOM 0 HD3 PRO A 67 12.928 -10.267 8.025 1.00 45.22 H new ATOM 1064 N GLY A 68 17.338 -9.567 7.908 1.00 23.15 N ATOM 1065 CA GLY A 68 18.744 -9.584 8.297 1.00 52.21 C ATOM 1066 C GLY A 68 19.441 -10.885 7.919 1.00 34.14 C ATOM 1067 O GLY A 68 20.580 -10.872 7.444 1.00 63.41 O ATOM 0 H GLY A 68 16.685 -9.772 8.664 1.00 23.15 H new ATOM 0 HA2 GLY A 68 19.259 -8.749 7.822 1.00 52.21 H new ATOM 0 HA3 GLY A 68 18.821 -9.435 9.374 1.00 52.21 H new ATOM 1071 N ALA A 69 18.742 -12.004 8.131 1.00 33.31 N ATOM 1072 CA ALA A 69 19.246 -13.346 7.797 1.00 24.21 C ATOM 1073 C ALA A 69 20.413 -13.774 8.710 1.00 72.31 C ATOM 1074 O ALA A 69 21.367 -13.020 8.911 1.00 61.14 O ATOM 1075 CB ALA A 69 19.652 -13.423 6.324 1.00 55.15 C ATOM 0 H ALA A 69 17.808 -12.008 8.540 1.00 33.31 H new ATOM 0 HA ALA A 69 18.430 -14.047 7.970 1.00 24.21 H new ATOM 0 HB1 ALA A 69 20.021 -14.424 6.100 1.00 55.15 H new ATOM 0 HB2 ALA A 69 18.787 -13.207 5.696 1.00 55.15 H new ATOM 0 HB3 ALA A 69 20.437 -12.694 6.124 1.00 55.15 H new ATOM 1081 N PRO A 70 20.347 -14.992 9.290 1.00 3.45 N ATOM 1082 CA PRO A 70 21.429 -15.528 10.138 1.00 63.41 C ATOM 1083 C PRO A 70 22.785 -15.576 9.408 1.00 5.12 C ATOM 1084 O PRO A 70 23.009 -16.425 8.545 1.00 75.02 O ATOM 1085 CB PRO A 70 20.944 -16.947 10.487 1.00 63.54 C ATOM 1086 CG PRO A 70 19.463 -16.895 10.313 1.00 2.31 C ATOM 1087 CD PRO A 70 19.218 -15.936 9.178 1.00 55.41 C ATOM 0 HA PRO A 70 21.608 -14.901 11.012 1.00 63.41 H new ATOM 0 HB2 PRO A 70 21.394 -17.692 9.830 1.00 63.54 H new ATOM 0 HB3 PRO A 70 21.213 -17.218 11.508 1.00 63.54 H new ATOM 0 HG2 PRO A 70 19.061 -17.882 10.085 1.00 2.31 H new ATOM 0 HG3 PRO A 70 18.974 -16.555 11.225 1.00 2.31 H new ATOM 0 HD2 PRO A 70 19.212 -16.445 8.214 1.00 55.41 H new ATOM 0 HD3 PRO A 70 18.258 -15.430 9.278 1.00 55.41 H new ATOM 1095 N LYS A 71 23.680 -14.652 9.755 1.00 33.23 N ATOM 1096 CA LYS A 71 24.986 -14.550 9.094 1.00 62.40 C ATOM 1097 C LYS A 71 25.938 -15.673 9.534 1.00 2.21 C ATOM 1098 O LYS A 71 26.516 -15.620 10.621 1.00 74.44 O ATOM 1099 CB LYS A 71 25.616 -13.178 9.375 1.00 2.15 C ATOM 1100 CG LYS A 71 24.787 -12.006 8.857 1.00 72.52 C ATOM 1101 CD LYS A 71 25.427 -10.664 9.199 1.00 53.03 C ATOM 1102 CE LYS A 71 24.600 -9.494 8.682 1.00 24.41 C ATOM 1103 NZ LYS A 71 25.206 -8.183 9.040 1.00 13.52 N ATOM 0 H LYS A 71 23.527 -13.962 10.490 1.00 33.23 H new ATOM 0 HA LYS A 71 24.823 -14.658 8.022 1.00 62.40 H new ATOM 0 HB2 LYS A 71 25.756 -13.066 10.450 1.00 2.15 H new ATOM 0 HB3 LYS A 71 26.605 -13.142 8.919 1.00 2.15 H new ATOM 0 HG2 LYS A 71 24.675 -12.090 7.776 1.00 72.52 H new ATOM 0 HG3 LYS A 71 23.786 -12.051 9.286 1.00 72.52 H new ATOM 0 HD2 LYS A 71 25.539 -10.580 10.280 1.00 53.03 H new ATOM 0 HD3 LYS A 71 26.428 -10.619 8.770 1.00 53.03 H new ATOM 0 HE2 LYS A 71 24.507 -9.567 7.598 1.00 24.41 H new ATOM 0 HE3 LYS A 71 23.592 -9.552 9.093 1.00 24.41 H new ATOM 0 HZ1 LYS A 71 24.612 -7.413 8.670 1.00 13.52 H new ATOM 0 HZ2 LYS A 71 25.272 -8.102 10.075 1.00 13.52 H new ATOM 0 HZ3 LYS A 71 26.158 -8.116 8.626 1.00 13.52 H new ATOM 1117 N ALA A 72 26.074 -16.694 8.681 1.00 41.22 N ATOM 1118 CA ALA A 72 26.989 -17.823 8.916 1.00 44.21 C ATOM 1119 C ALA A 72 26.543 -18.715 10.095 1.00 34.23 C ATOM 1120 O ALA A 72 26.254 -18.224 11.188 1.00 53.21 O ATOM 1121 CB ALA A 72 28.418 -17.325 9.134 1.00 53.31 C ATOM 0 H ALA A 72 25.554 -16.764 7.807 1.00 41.22 H new ATOM 0 HA ALA A 72 26.960 -18.442 8.019 1.00 44.21 H new ATOM 0 HB1 ALA A 72 29.078 -18.176 9.306 1.00 53.31 H new ATOM 0 HB2 ALA A 72 28.752 -16.780 8.251 1.00 53.31 H new ATOM 0 HB3 ALA A 72 28.445 -16.664 10.001 1.00 53.31 H new ATOM 1127 N PRO A 73 26.478 -20.050 9.890 1.00 42.23 N ATOM 1128 CA PRO A 73 26.134 -21.003 10.965 1.00 2.31 C ATOM 1129 C PRO A 73 27.117 -20.938 12.145 1.00 54.54 C ATOM 1130 O PRO A 73 28.300 -21.264 12.000 1.00 64.02 O ATOM 1131 CB PRO A 73 26.211 -22.374 10.269 1.00 52.44 C ATOM 1132 CG PRO A 73 26.060 -22.075 8.815 1.00 72.13 C ATOM 1133 CD PRO A 73 26.714 -20.735 8.606 1.00 2.22 C ATOM 0 HA PRO A 73 25.158 -20.788 11.401 1.00 2.31 H new ATOM 0 HB2 PRO A 73 27.160 -22.869 10.474 1.00 52.44 H new ATOM 0 HB3 PRO A 73 25.422 -23.040 10.619 1.00 52.44 H new ATOM 0 HG2 PRO A 73 26.537 -22.843 8.206 1.00 72.13 H new ATOM 0 HG3 PRO A 73 25.009 -22.047 8.528 1.00 72.13 H new ATOM 0 HD2 PRO A 73 27.778 -20.834 8.390 1.00 2.22 H new ATOM 0 HD3 PRO A 73 26.269 -20.194 7.771 1.00 2.22 H new ATOM 1141 N ALA A 74 26.629 -20.503 13.305 1.00 21.05 N ATOM 1142 CA ALA A 74 27.463 -20.374 14.506 1.00 60.55 C ATOM 1143 C ALA A 74 28.008 -21.731 14.982 1.00 71.52 C ATOM 1144 O ALA A 74 27.264 -22.711 15.091 1.00 41.04 O ATOM 1145 CB ALA A 74 26.671 -19.702 15.620 1.00 42.50 C ATOM 0 H ALA A 74 25.655 -20.232 13.442 1.00 21.05 H new ATOM 0 HA ALA A 74 28.322 -19.755 14.245 1.00 60.55 H new ATOM 0 HB1 ALA A 74 27.297 -19.610 16.507 1.00 42.50 H new ATOM 0 HB2 ALA A 74 26.355 -18.711 15.295 1.00 42.50 H new ATOM 0 HB3 ALA A 74 25.793 -20.303 15.856 1.00 42.50 H new ATOM 1151 N ALA A 75 29.308 -21.776 15.263 1.00 64.24 N ATOM 1152 CA ALA A 75 29.960 -22.994 15.758 1.00 74.51 C ATOM 1153 C ALA A 75 31.318 -22.684 16.416 1.00 34.35 C ATOM 1154 O ALA A 75 32.331 -22.574 15.687 1.00 38.86 O ATOM 1155 CB ALA A 75 30.136 -24.006 14.626 1.00 64.41 C ATOM 1156 OXT ALA A 75 31.366 -22.562 17.663 1.00 38.86 O ATOM 0 H ALA A 75 29.937 -20.980 15.157 1.00 64.24 H new ATOM 0 HA ALA A 75 29.313 -23.427 16.521 1.00 74.51 H new ATOM 0 HB1 ALA A 75 30.621 -24.903 15.012 1.00 64.41 H new ATOM 0 HB2 ALA A 75 29.160 -24.268 14.218 1.00 64.41 H new ATOM 0 HB3 ALA A 75 30.753 -23.569 13.840 1.00 64.41 H new TER 1162 ALA A 75