USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 919 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 94 HIS : no HD1:sc= 0.0193 K(o=0.22,f=-0.3) USER MOD Set 1.2: A 98 LYS NZ :NH3+ -170:sc= 0.201 (180deg=0.0148) USER MOD Set 2.1: A 87 THR OG1 : rot -142:sc= 0.443 USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= 0.655 F(o=-1.1,f=1.1) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -123:sc= 0.462 (180deg=0) USER MOD Set 3.2: A 67 TYR OH : rot -14:sc= 0.405 USER MOD Set 3.3: A 103 CYS SG : rot 149:sc= -0.984 USER MOD Set 4.1: A 43 SER OG : rot -75:sc= 0.644 USER MOD Set 4.2: A 45 SER OG : rot 180:sc= 0.484 USER MOD Set 4.3: A 46 ASN : amide:sc= -9.74! C(o=-8.6!,f=-13!) USER MOD Set 5.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 13 LYS NZ :NH3+ -152:sc= 0.00671 (180deg=0) USER MOD Set 6.2: A 112 ASN : amide:sc= -0.0296 K(o=-0.023,f=-4.5!) USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0528 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -51:sc= 0.506 USER MOD Single : A 27 GLN : amide:sc= -0.0531 K(o=-0.053,f=-1.7) USER MOD Single : A 32 MET CE :methyl 153:sc= -0.298 (180deg=-1.44) USER MOD Single : A 33 ASN : amide:sc= -1.36 K(o=-1.4,f=-7.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 170:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= 0.83 (180deg=0.728) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -36:sc= 0.344 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 66 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.35) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= 0.836 (180deg=0.67) USER MOD Single : A 71 SER OG : rot -105:sc= 0.895 USER MOD Single : A 74 ASN : amide:sc= -0.0245 K(o=-0.025,f=-2.2!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.424 K(o=-0.42,f=-3.4!) USER MOD Single : A 95 TYR OH : rot 167:sc= -0.105 USER MOD Single : A 96 SER OG : rot 79:sc= -0.176 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0756 K(o=-0.076,f=-0.96) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -141:sc= -0.604 USER MOD Single : A 110 CYS SG : rot -170:sc= -0.355 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.451 11.847 -32.774 1.00 0.00 N ATOM 2 CA GLY A 1 10.671 10.624 -32.915 1.00 0.00 C ATOM 3 C GLY A 1 10.192 10.434 -34.351 1.00 0.00 C ATOM 4 O GLY A 1 10.029 11.397 -35.089 1.00 0.00 O ATOM 0 H1 GLY A 1 12.460 11.608 -32.694 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.303 12.451 -33.608 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.147 12.356 -31.920 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.275 9.768 -32.615 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.812 10.659 -32.245 1.00 0.00 H new ATOM 10 N SER A 2 9.995 9.149 -34.699 1.00 0.00 N ATOM 11 CA SER A 2 9.534 8.809 -36.043 1.00 0.00 C ATOM 12 C SER A 2 8.969 7.387 -36.006 1.00 0.00 C ATOM 13 O SER A 2 9.211 6.644 -35.062 1.00 0.00 O ATOM 14 CB SER A 2 10.689 8.904 -37.067 1.00 0.00 C ATOM 15 OG SER A 2 9.996 9.063 -38.391 1.00 0.00 O ATOM 0 H SER A 2 10.145 8.352 -34.080 1.00 0.00 H new ATOM 0 HA SER A 2 8.764 9.514 -36.356 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.341 9.751 -36.854 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.312 8.010 -37.049 1.00 0.00 H new ATOM 0 HG SER A 2 10.665 9.133 -39.104 1.00 0.00 H new ATOM 21 N VAL A 3 8.218 7.067 -37.082 1.00 0.00 N ATOM 22 CA VAL A 3 7.587 5.757 -37.236 1.00 0.00 C ATOM 23 C VAL A 3 6.474 5.563 -36.182 1.00 0.00 C ATOM 24 O VAL A 3 6.546 6.052 -35.061 1.00 0.00 O ATOM 25 CB VAL A 3 8.637 4.616 -37.251 1.00 0.00 C ATOM 26 CG1 VAL A 3 8.008 3.229 -37.475 1.00 0.00 C ATOM 27 CG2 VAL A 3 9.732 4.915 -38.294 1.00 0.00 C ATOM 0 H VAL A 3 8.039 7.708 -37.855 1.00 0.00 H new ATOM 0 HA VAL A 3 7.101 5.714 -38.210 1.00 0.00 H new ATOM 0 HB VAL A 3 9.094 4.581 -36.262 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.791 2.470 -37.476 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.299 3.018 -36.675 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.489 3.215 -38.433 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.464 4.107 -38.295 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.280 4.997 -39.283 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.228 5.853 -38.043 1.00 0.00 H new ATOM 37 N ALA A 4 5.424 4.834 -36.618 1.00 0.00 N ATOM 38 CA ALA A 4 4.310 4.581 -35.712 1.00 0.00 C ATOM 39 C ALA A 4 4.754 3.551 -34.644 1.00 0.00 C ATOM 40 O ALA A 4 5.699 2.802 -34.866 1.00 0.00 O ATOM 41 CB ALA A 4 3.110 4.054 -36.517 1.00 0.00 C ATOM 0 H ALA A 4 5.334 4.431 -37.551 1.00 0.00 H new ATOM 0 HA ALA A 4 4.012 5.501 -35.210 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.275 3.864 -35.843 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.815 4.796 -37.259 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.388 3.128 -37.021 1.00 0.00 H new ATOM 47 N PRO A 5 4.055 3.546 -33.470 1.00 0.00 N ATOM 48 CA PRO A 5 4.364 2.598 -32.396 1.00 0.00 C ATOM 49 C PRO A 5 4.163 1.128 -32.830 1.00 0.00 C ATOM 50 O PRO A 5 3.881 0.834 -33.985 1.00 0.00 O ATOM 51 CB PRO A 5 3.418 2.975 -31.237 1.00 0.00 C ATOM 52 CG PRO A 5 2.573 4.166 -31.704 1.00 0.00 C ATOM 53 CD PRO A 5 3.009 4.506 -33.129 1.00 0.00 C ATOM 0 HA PRO A 5 5.413 2.664 -32.107 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.780 2.132 -30.973 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.988 3.235 -30.345 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.512 3.918 -31.676 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.718 5.021 -31.044 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.171 4.432 -33.822 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.383 5.528 -33.189 1.00 0.00 H new ATOM 61 N VAL A 6 4.316 0.231 -31.832 1.00 0.00 N ATOM 62 CA VAL A 6 4.167 -1.200 -32.094 1.00 0.00 C ATOM 63 C VAL A 6 3.474 -1.849 -30.886 1.00 0.00 C ATOM 64 O VAL A 6 2.319 -2.251 -30.949 1.00 0.00 O ATOM 65 CB VAL A 6 5.537 -1.841 -32.417 1.00 0.00 C ATOM 66 CG1 VAL A 6 5.407 -3.353 -32.652 1.00 0.00 C ATOM 67 CG2 VAL A 6 6.204 -1.183 -33.639 1.00 0.00 C ATOM 0 H VAL A 6 4.537 0.472 -30.866 1.00 0.00 H new ATOM 0 HA VAL A 6 3.544 -1.365 -32.973 1.00 0.00 H new ATOM 0 HB VAL A 6 6.171 -1.672 -31.546 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.388 -3.772 -32.877 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.006 -3.827 -31.756 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.734 -3.534 -33.490 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.164 -1.662 -33.832 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.560 -1.297 -34.511 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.361 -0.123 -33.441 1.00 0.00 H new ATOM 77 N GLU A 7 4.261 -1.915 -29.791 1.00 0.00 N ATOM 78 CA GLU A 7 3.794 -2.489 -28.535 1.00 0.00 C ATOM 79 C GLU A 7 2.895 -1.501 -27.784 1.00 0.00 C ATOM 80 O GLU A 7 3.311 -0.746 -26.913 1.00 0.00 O ATOM 81 CB GLU A 7 5.010 -2.858 -27.675 1.00 0.00 C ATOM 82 CG GLU A 7 5.742 -4.111 -28.178 1.00 0.00 C ATOM 83 CD GLU A 7 5.066 -5.390 -27.650 1.00 0.00 C ATOM 84 OE1 GLU A 7 4.080 -5.827 -28.239 1.00 0.00 O ATOM 85 OE2 GLU A 7 5.541 -5.933 -26.655 1.00 0.00 O ATOM 0 H GLU A 7 5.222 -1.574 -29.763 1.00 0.00 H new ATOM 0 HA GLU A 7 3.205 -3.382 -28.746 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.706 -2.019 -27.660 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.685 -3.021 -26.647 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.748 -4.121 -29.268 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.782 -4.084 -27.854 1.00 0.00 H new ATOM 92 N THR A 8 1.624 -1.576 -28.212 1.00 0.00 N ATOM 93 CA THR A 8 0.576 -0.758 -27.633 1.00 0.00 C ATOM 94 C THR A 8 0.339 -1.169 -26.167 1.00 0.00 C ATOM 95 O THR A 8 0.385 -2.349 -25.843 1.00 0.00 O ATOM 96 CB THR A 8 -0.719 -1.046 -28.443 1.00 0.00 C ATOM 97 OG1 THR A 8 -1.285 -2.397 -28.388 1.00 0.00 O ATOM 98 CG2 THR A 8 -0.560 -0.523 -29.898 1.00 0.00 C ATOM 0 H THR A 8 1.310 -2.198 -28.957 1.00 0.00 H new ATOM 0 HA THR A 8 0.850 0.296 -27.665 1.00 0.00 H new ATOM 0 HB THR A 8 -1.489 -0.485 -27.914 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.094 -2.435 -28.939 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.471 -0.728 -30.460 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.379 0.552 -29.881 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.281 -1.025 -30.375 1.00 0.00 H new ATOM 106 N LEU A 9 0.114 -0.133 -25.325 1.00 0.00 N ATOM 107 CA LEU A 9 -0.144 -0.263 -23.884 1.00 0.00 C ATOM 108 C LEU A 9 0.736 -1.339 -23.205 1.00 0.00 C ATOM 109 O LEU A 9 0.249 -2.174 -22.453 1.00 0.00 O ATOM 110 CB LEU A 9 -1.644 -0.487 -23.591 1.00 0.00 C ATOM 111 CG LEU A 9 -2.274 -1.767 -24.196 1.00 0.00 C ATOM 112 CD1 LEU A 9 -3.173 -2.481 -23.181 1.00 0.00 C ATOM 113 CD2 LEU A 9 -3.056 -1.449 -25.478 1.00 0.00 C ATOM 0 H LEU A 9 0.108 0.836 -25.643 1.00 0.00 H new ATOM 0 HA LEU A 9 0.143 0.689 -23.438 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.782 -0.515 -22.510 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.198 0.376 -23.961 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.456 -2.440 -24.454 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.599 -3.374 -23.637 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.584 -2.765 -22.309 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.977 -1.812 -22.873 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.486 -2.367 -25.879 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.855 -0.743 -25.251 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.383 -1.011 -26.215 1.00 0.00 H new ATOM 125 N GLU A 10 2.053 -1.251 -23.499 1.00 0.00 N ATOM 126 CA GLU A 10 3.011 -2.208 -22.952 1.00 0.00 C ATOM 127 C GLU A 10 3.856 -1.524 -21.873 1.00 0.00 C ATOM 128 O GLU A 10 5.063 -1.362 -21.995 1.00 0.00 O ATOM 129 CB GLU A 10 3.893 -2.747 -24.089 1.00 0.00 C ATOM 130 CG GLU A 10 4.821 -3.900 -23.659 1.00 0.00 C ATOM 131 CD GLU A 10 4.014 -5.127 -23.196 1.00 0.00 C ATOM 132 OE1 GLU A 10 3.596 -5.916 -24.041 1.00 0.00 O ATOM 133 OE2 GLU A 10 3.811 -5.279 -21.991 1.00 0.00 O ATOM 0 H GLU A 10 2.461 -0.537 -24.102 1.00 0.00 H new ATOM 0 HA GLU A 10 2.487 -3.047 -22.494 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.253 -3.091 -24.902 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.500 -1.932 -24.484 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.466 -4.180 -24.492 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.471 -3.564 -22.851 1.00 0.00 H new ATOM 140 N VAL A 11 3.133 -1.136 -20.809 1.00 0.00 N ATOM 141 CA VAL A 11 3.793 -0.463 -19.696 1.00 0.00 C ATOM 142 C VAL A 11 2.939 -0.594 -18.426 1.00 0.00 C ATOM 143 O VAL A 11 3.266 -1.338 -17.513 1.00 0.00 O ATOM 144 CB VAL A 11 4.149 1.015 -20.026 1.00 0.00 C ATOM 145 CG1 VAL A 11 5.537 1.143 -20.678 1.00 0.00 C ATOM 146 CG2 VAL A 11 3.089 1.749 -20.884 1.00 0.00 C ATOM 0 H VAL A 11 2.128 -1.273 -20.703 1.00 0.00 H new ATOM 0 HA VAL A 11 4.748 -0.957 -19.514 1.00 0.00 H new ATOM 0 HB VAL A 11 4.163 1.513 -19.056 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.744 2.192 -20.891 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.295 0.755 -19.998 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.556 0.573 -21.607 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.415 2.773 -21.068 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.968 1.230 -21.835 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.137 1.761 -20.354 1.00 0.00 H new ATOM 156 N GLU A 12 1.846 0.196 -18.430 1.00 0.00 N ATOM 157 CA GLU A 12 0.875 0.284 -17.351 1.00 0.00 C ATOM 158 C GLU A 12 1.550 0.692 -16.048 1.00 0.00 C ATOM 159 O GLU A 12 2.040 -0.118 -15.275 1.00 0.00 O ATOM 160 CB GLU A 12 0.085 -1.035 -17.155 1.00 0.00 C ATOM 161 CG GLU A 12 -1.080 -1.250 -18.141 1.00 0.00 C ATOM 162 CD GLU A 12 -2.405 -1.439 -17.376 1.00 0.00 C ATOM 163 OE1 GLU A 12 -2.639 -2.530 -16.857 1.00 0.00 O ATOM 164 OE2 GLU A 12 -3.181 -0.487 -17.299 1.00 0.00 O ATOM 0 H GLU A 12 1.619 0.805 -19.216 1.00 0.00 H new ATOM 0 HA GLU A 12 0.157 1.053 -17.638 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.777 -1.872 -17.246 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.310 -1.057 -16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.159 -0.395 -18.812 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.883 -2.124 -18.761 1.00 0.00 H new ATOM 171 N LYS A 13 1.602 2.029 -15.901 1.00 0.00 N ATOM 172 CA LYS A 13 2.131 2.706 -14.721 1.00 0.00 C ATOM 173 C LYS A 13 1.235 2.651 -13.509 1.00 0.00 C ATOM 174 O LYS A 13 1.079 3.626 -12.783 1.00 0.00 O ATOM 175 CB LYS A 13 2.507 4.107 -15.015 1.00 0.00 C ATOM 176 CG LYS A 13 3.751 4.170 -15.839 1.00 0.00 C ATOM 177 CD LYS A 13 4.741 3.031 -15.815 1.00 0.00 C ATOM 178 CE LYS A 13 6.038 3.345 -16.581 1.00 0.00 C ATOM 179 NZ LYS A 13 7.040 4.030 -15.760 1.00 0.00 N ATOM 0 H LYS A 13 1.269 2.674 -16.618 1.00 0.00 H new ATOM 0 HA LYS A 13 3.025 2.138 -14.462 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.692 4.602 -15.543 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.658 4.649 -14.082 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.444 4.309 -16.876 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.289 5.071 -15.543 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.986 2.791 -14.780 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.277 2.144 -16.246 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.462 2.416 -16.961 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.801 3.964 -17.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.644 4.618 -16.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.562 4.633 -15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.626 3.326 -15.268 1.00 0.00 H new ATOM 193 N TRP A 14 0.685 1.471 -13.322 1.00 0.00 N ATOM 194 CA TRP A 14 -0.147 1.177 -12.187 1.00 0.00 C ATOM 195 C TRP A 14 0.187 -0.274 -11.833 1.00 0.00 C ATOM 196 O TRP A 14 0.616 -0.543 -10.726 1.00 0.00 O ATOM 197 CB TRP A 14 -1.620 1.570 -12.398 1.00 0.00 C ATOM 198 CG TRP A 14 -2.574 0.551 -13.001 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.309 0.742 -14.166 1.00 0.00 C ATOM 200 CD2 TRP A 14 -3.045 -0.699 -12.456 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.174 -0.278 -14.358 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.053 -1.187 -13.321 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.709 -1.413 -11.343 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.680 -2.366 -13.024 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.343 -2.613 -11.063 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.325 -3.087 -11.906 1.00 0.00 C ATOM 0 H TRP A 14 0.807 0.686 -13.961 1.00 0.00 H new ATOM 0 HA TRP A 14 0.055 1.793 -11.310 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.024 1.867 -11.430 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.637 2.454 -13.035 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.203 1.590 -14.827 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.817 -0.365 -15.145 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.945 -1.041 -10.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.461 -2.735 -13.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.068 -3.177 -10.184 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.816 -4.024 -11.690 1.00 0.00 H new ATOM 217 N PHE A 15 0.057 -1.183 -12.828 1.00 0.00 N ATOM 218 CA PHE A 15 0.387 -2.583 -12.570 1.00 0.00 C ATOM 219 C PHE A 15 1.896 -2.822 -12.818 1.00 0.00 C ATOM 220 O PHE A 15 2.309 -3.273 -13.879 1.00 0.00 O ATOM 221 CB PHE A 15 -0.492 -3.452 -13.484 1.00 0.00 C ATOM 222 CG PHE A 15 -0.370 -4.930 -13.216 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.624 -5.451 -11.949 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.009 -5.796 -14.244 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.523 -6.820 -11.723 1.00 0.00 C ATOM 226 CE2 PHE A 15 0.086 -7.163 -14.022 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.173 -7.676 -12.759 1.00 0.00 C ATOM 0 H PHE A 15 -0.261 -0.975 -13.775 1.00 0.00 H new ATOM 0 HA PHE A 15 0.189 -2.849 -11.532 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.533 -3.154 -13.361 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.225 -3.257 -14.523 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.900 -4.790 -11.140 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.200 -5.400 -15.227 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.718 -7.219 -10.738 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.361 -7.825 -14.830 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.103 -8.739 -12.582 1.00 0.00 H new ATOM 237 N PHE A 16 2.680 -2.531 -11.758 1.00 0.00 N ATOM 238 CA PHE A 16 4.141 -2.695 -11.792 1.00 0.00 C ATOM 239 C PHE A 16 4.501 -4.030 -11.114 1.00 0.00 C ATOM 240 O PHE A 16 3.814 -4.476 -10.213 1.00 0.00 O ATOM 241 CB PHE A 16 4.791 -1.483 -11.079 1.00 0.00 C ATOM 242 CG PHE A 16 5.596 -0.640 -12.035 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.047 -0.210 -13.241 1.00 0.00 C ATOM 244 CD2 PHE A 16 6.924 -0.324 -11.756 1.00 0.00 C ATOM 245 CE1 PHE A 16 5.820 0.489 -14.155 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.693 0.375 -12.684 1.00 0.00 C ATOM 247 CZ PHE A 16 7.141 0.790 -13.884 1.00 0.00 C ATOM 0 H PHE A 16 2.321 -2.181 -10.870 1.00 0.00 H new ATOM 0 HA PHE A 16 4.518 -2.725 -12.814 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.014 -0.871 -10.620 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.436 -1.837 -10.274 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.012 -0.423 -13.465 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.360 -0.623 -10.814 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.384 0.803 -15.092 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.728 0.595 -12.466 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.735 1.341 -14.598 1.00 0.00 H new ATOM 257 N ARG A 17 5.653 -4.608 -11.508 1.00 0.00 N ATOM 258 CA ARG A 17 6.040 -5.916 -10.948 1.00 0.00 C ATOM 259 C ARG A 17 6.672 -5.726 -9.551 1.00 0.00 C ATOM 260 O ARG A 17 6.196 -4.907 -8.782 1.00 0.00 O ATOM 261 CB ARG A 17 7.028 -6.560 -11.960 1.00 0.00 C ATOM 262 CG ARG A 17 6.401 -7.433 -13.052 1.00 0.00 C ATOM 263 CD ARG A 17 5.021 -7.997 -12.713 1.00 0.00 C ATOM 264 NE ARG A 17 4.581 -8.936 -13.735 1.00 0.00 N ATOM 265 CZ ARG A 17 3.414 -9.603 -13.601 1.00 0.00 C ATOM 266 NH1 ARG A 17 2.647 -9.416 -12.536 1.00 0.00 N ATOM 267 NH2 ARG A 17 3.022 -10.453 -14.540 1.00 0.00 N ATOM 0 H ARG A 17 6.307 -4.210 -12.183 1.00 0.00 H new ATOM 0 HA ARG A 17 5.180 -6.571 -10.809 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.594 -5.763 -12.441 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.742 -7.167 -11.403 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.322 -6.845 -13.966 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.075 -8.263 -13.264 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.055 -8.496 -11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.301 -7.183 -12.627 1.00 0.00 H new ATOM 0 HE ARG A 17 5.160 -9.092 -14.560 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.936 -8.763 -11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.768 -9.925 -12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.602 -10.604 -15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.140 -10.956 -14.437 1.00 0.00 H new ATOM 281 N THR A 18 7.681 -6.549 -9.214 1.00 0.00 N ATOM 282 CA THR A 18 8.354 -6.429 -7.946 1.00 0.00 C ATOM 283 C THR A 18 9.588 -5.558 -8.160 1.00 0.00 C ATOM 284 O THR A 18 10.720 -6.017 -8.224 1.00 0.00 O ATOM 285 CB THR A 18 8.797 -7.785 -7.320 1.00 0.00 C ATOM 286 OG1 THR A 18 9.959 -7.719 -6.431 1.00 0.00 O ATOM 287 CG2 THR A 18 8.802 -8.978 -8.329 1.00 0.00 C ATOM 0 H THR A 18 8.034 -7.296 -9.812 1.00 0.00 H new ATOM 0 HA THR A 18 7.643 -5.994 -7.243 1.00 0.00 H new ATOM 0 HB THR A 18 7.991 -8.024 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.692 -7.252 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.121 -9.886 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.798 -9.121 -8.729 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.490 -8.761 -9.146 1.00 0.00 H new ATOM 295 N ILE A 19 9.270 -4.260 -8.347 1.00 0.00 N ATOM 296 CA ILE A 19 10.346 -3.290 -8.458 1.00 0.00 C ATOM 297 C ILE A 19 10.900 -3.165 -7.037 1.00 0.00 C ATOM 298 O ILE A 19 10.224 -3.530 -6.079 1.00 0.00 O ATOM 299 CB ILE A 19 9.806 -1.948 -8.962 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.886 -1.080 -9.614 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.947 -1.214 -7.933 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.354 0.308 -10.003 1.00 0.00 C ATOM 0 H ILE A 19 8.324 -3.886 -8.420 1.00 0.00 H new ATOM 0 HA ILE A 19 11.114 -3.595 -9.168 1.00 0.00 H new ATOM 0 HB ILE A 19 9.113 -2.187 -9.768 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.724 -0.967 -8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.268 -1.583 -10.502 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.598 -0.272 -8.356 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.090 -1.832 -7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.540 -1.013 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.154 0.889 -10.462 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.533 0.198 -10.712 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.996 0.824 -9.112 1.00 0.00 H new ATOM 314 N SER A 20 12.148 -2.664 -6.924 1.00 0.00 N ATOM 315 CA SER A 20 12.659 -2.522 -5.560 1.00 0.00 C ATOM 316 C SER A 20 11.770 -1.513 -4.826 1.00 0.00 C ATOM 317 O SER A 20 11.097 -0.676 -5.406 1.00 0.00 O ATOM 318 CB SER A 20 14.138 -2.013 -5.550 1.00 0.00 C ATOM 319 OG SER A 20 14.974 -1.948 -4.320 1.00 0.00 O ATOM 0 H SER A 20 12.765 -2.377 -7.684 1.00 0.00 H new ATOM 0 HA SER A 20 12.641 -3.495 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.682 -2.637 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.119 -1.004 -5.962 1.00 0.00 H new ATOM 0 HG SER A 20 15.862 -1.602 -4.546 1.00 0.00 H new ATOM 325 N ARG A 21 11.887 -1.609 -3.510 1.00 0.00 N ATOM 326 CA ARG A 21 11.104 -0.762 -2.633 1.00 0.00 C ATOM 327 C ARG A 21 11.390 0.719 -2.904 1.00 0.00 C ATOM 328 O ARG A 21 10.500 1.510 -3.186 1.00 0.00 O ATOM 329 CB ARG A 21 11.414 -1.142 -1.185 1.00 0.00 C ATOM 330 CG ARG A 21 10.435 -0.463 -0.216 1.00 0.00 C ATOM 331 CD ARG A 21 9.681 -1.461 0.664 1.00 0.00 C ATOM 332 NE ARG A 21 10.567 -2.022 1.677 1.00 0.00 N ATOM 333 CZ ARG A 21 10.896 -1.342 2.795 1.00 0.00 C ATOM 334 NH1 ARG A 21 10.430 -0.118 3.015 1.00 0.00 N ATOM 335 NH2 ARG A 21 11.701 -1.908 3.683 1.00 0.00 N ATOM 0 H ARG A 21 12.511 -2.259 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 21 10.041 -0.914 -2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.355 -2.224 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.435 -0.851 -0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.984 0.232 0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.717 0.126 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.837 -0.966 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.272 -2.261 0.047 1.00 0.00 H new ATOM 0 HE ARG A 21 10.950 -2.957 1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.813 0.323 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.689 0.381 3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.064 -2.847 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.958 -1.405 4.532 1.00 0.00 H new ATOM 349 N LYS A 22 12.697 1.024 -2.797 1.00 0.00 N ATOM 350 CA LYS A 22 13.148 2.386 -3.069 1.00 0.00 C ATOM 351 C LYS A 22 12.880 2.829 -4.506 1.00 0.00 C ATOM 352 O LYS A 22 12.835 4.018 -4.790 1.00 0.00 O ATOM 353 CB LYS A 22 14.625 2.579 -2.722 1.00 0.00 C ATOM 354 CG LYS A 22 15.594 1.673 -3.476 1.00 0.00 C ATOM 355 CD LYS A 22 15.809 2.063 -4.927 1.00 0.00 C ATOM 356 CE LYS A 22 17.240 1.837 -5.435 1.00 0.00 C ATOM 357 NZ LYS A 22 17.583 0.422 -5.554 1.00 0.00 N ATOM 0 H LYS A 22 13.431 0.366 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 22 12.553 3.025 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.895 3.616 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.755 2.413 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.556 1.681 -2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.221 0.649 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.120 1.493 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.554 3.116 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.355 2.317 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.942 2.320 -4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.559 0.329 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.501 -0.034 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.933 -0.038 -6.223 1.00 0.00 H new ATOM 371 N ASP A 23 12.677 1.814 -5.380 1.00 0.00 N ATOM 372 CA ASP A 23 12.488 2.141 -6.780 1.00 0.00 C ATOM 373 C ASP A 23 11.092 2.677 -7.049 1.00 0.00 C ATOM 374 O ASP A 23 10.907 3.761 -7.565 1.00 0.00 O ATOM 375 CB ASP A 23 12.776 0.968 -7.738 1.00 0.00 C ATOM 376 CG ASP A 23 14.282 0.772 -8.023 1.00 0.00 C ATOM 377 OD1 ASP A 23 15.026 1.754 -8.042 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.696 -0.363 -8.242 1.00 0.00 O ATOM 0 H ASP A 23 12.644 0.822 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 23 13.225 2.917 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.371 0.051 -7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.254 1.139 -8.679 1.00 0.00 H new ATOM 383 N ALA A 24 10.125 1.843 -6.680 1.00 0.00 N ATOM 384 CA ALA A 24 8.709 2.186 -6.841 1.00 0.00 C ATOM 385 C ALA A 24 8.399 3.568 -6.227 1.00 0.00 C ATOM 386 O ALA A 24 7.674 4.390 -6.774 1.00 0.00 O ATOM 387 CB ALA A 24 7.883 1.076 -6.180 1.00 0.00 C ATOM 0 H ALA A 24 10.292 0.925 -6.268 1.00 0.00 H new ATOM 0 HA ALA A 24 8.454 2.257 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.822 1.302 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.100 0.124 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.140 1.012 -5.123 1.00 0.00 H new ATOM 393 N GLU A 25 9.028 3.752 -5.055 1.00 0.00 N ATOM 394 CA GLU A 25 8.894 4.971 -4.294 1.00 0.00 C ATOM 395 C GLU A 25 9.502 6.164 -5.058 1.00 0.00 C ATOM 396 O GLU A 25 8.986 7.268 -5.010 1.00 0.00 O ATOM 397 CB GLU A 25 9.567 4.766 -2.923 1.00 0.00 C ATOM 398 CG GLU A 25 8.847 3.744 -2.016 1.00 0.00 C ATOM 399 CD GLU A 25 9.713 3.270 -0.819 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.855 3.703 -0.674 1.00 0.00 O ATOM 401 OE2 GLU A 25 9.233 2.453 -0.037 1.00 0.00 O ATOM 0 H GLU A 25 9.636 3.056 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 25 7.840 5.203 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.594 4.437 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.615 5.725 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.928 4.190 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.559 2.878 -2.613 1.00 0.00 H new ATOM 408 N ARG A 26 10.606 5.885 -5.788 1.00 0.00 N ATOM 409 CA ARG A 26 11.314 6.939 -6.521 1.00 0.00 C ATOM 410 C ARG A 26 10.428 7.540 -7.623 1.00 0.00 C ATOM 411 O ARG A 26 10.520 8.712 -7.972 1.00 0.00 O ATOM 412 CB ARG A 26 12.614 6.386 -7.161 1.00 0.00 C ATOM 413 CG ARG A 26 12.542 5.777 -8.585 1.00 0.00 C ATOM 414 CD ARG A 26 13.528 4.623 -8.824 1.00 0.00 C ATOM 415 NE ARG A 26 14.450 4.905 -9.922 1.00 0.00 N ATOM 416 CZ ARG A 26 15.312 5.952 -9.928 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.375 6.814 -8.919 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.121 6.128 -10.965 1.00 0.00 N ATOM 0 H ARG A 26 11.014 4.955 -5.880 1.00 0.00 H new ATOM 0 HA ARG A 26 11.566 7.719 -5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.342 7.197 -7.185 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.011 5.621 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.529 5.418 -8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.735 6.563 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.096 4.438 -7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.972 3.711 -9.043 1.00 0.00 H new ATOM 0 HE ARG A 26 14.445 4.280 -10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.764 6.698 -8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.034 7.592 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.092 5.478 -11.751 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.772 6.913 -10.977 1.00 0.00 H new ATOM 432 N GLN A 27 9.546 6.644 -8.115 1.00 0.00 N ATOM 433 CA GLN A 27 8.655 7.017 -9.209 1.00 0.00 C ATOM 434 C GLN A 27 7.511 7.919 -8.732 1.00 0.00 C ATOM 435 O GLN A 27 7.257 8.973 -9.303 1.00 0.00 O ATOM 436 CB GLN A 27 8.081 5.757 -9.890 1.00 0.00 C ATOM 437 CG GLN A 27 9.162 4.810 -10.434 1.00 0.00 C ATOM 438 CD GLN A 27 8.558 3.685 -11.293 1.00 0.00 C ATOM 439 OE1 GLN A 27 7.444 3.229 -11.080 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.365 3.278 -12.287 1.00 0.00 N ATOM 0 H GLN A 27 9.440 5.687 -7.777 1.00 0.00 H new ATOM 0 HA GLN A 27 9.246 7.581 -9.931 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.462 5.216 -9.174 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.429 6.061 -10.709 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.876 5.378 -11.030 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.716 4.375 -9.602 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.284 3.705 -12.405 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.059 2.542 -12.924 1.00 0.00 H new ATOM 449 N LEU A 28 6.818 7.433 -7.681 1.00 0.00 N ATOM 450 CA LEU A 28 5.702 8.200 -7.147 1.00 0.00 C ATOM 451 C LEU A 28 6.129 9.576 -6.609 1.00 0.00 C ATOM 452 O LEU A 28 5.457 10.578 -6.812 1.00 0.00 O ATOM 453 CB LEU A 28 4.941 7.363 -6.133 1.00 0.00 C ATOM 454 CG LEU A 28 4.552 6.037 -6.762 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.052 5.111 -5.695 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.492 6.220 -7.839 1.00 0.00 C ATOM 0 H LEU A 28 7.009 6.549 -7.210 1.00 0.00 H new ATOM 0 HA LEU A 28 5.019 8.430 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.557 7.192 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.050 7.896 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 28 5.434 5.609 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.772 4.158 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.838 4.948 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.183 5.553 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.238 5.251 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.601 6.668 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.878 6.873 -8.622 1.00 0.00 H new ATOM 468 N LEU A 29 7.296 9.560 -5.921 1.00 0.00 N ATOM 469 CA LEU A 29 7.854 10.772 -5.335 1.00 0.00 C ATOM 470 C LEU A 29 8.385 11.755 -6.401 1.00 0.00 C ATOM 471 O LEU A 29 8.833 12.844 -6.064 1.00 0.00 O ATOM 472 CB LEU A 29 8.998 10.350 -4.416 1.00 0.00 C ATOM 473 CG LEU A 29 8.516 9.508 -3.231 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.708 8.808 -2.585 1.00 0.00 C ATOM 475 CD2 LEU A 29 7.764 10.385 -2.225 1.00 0.00 C ATOM 0 H LEU A 29 7.855 8.721 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 29 7.067 11.295 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.729 9.780 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.507 11.239 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 29 7.821 8.746 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.365 8.209 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.191 8.161 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.421 9.554 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.428 9.773 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.427 11.168 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.901 10.839 -2.712 1.00 0.00 H new ATOM 487 N ALA A 30 8.321 11.335 -7.683 1.00 0.00 N ATOM 488 CA ALA A 30 8.770 12.204 -8.765 1.00 0.00 C ATOM 489 C ALA A 30 7.865 13.450 -8.844 1.00 0.00 C ATOM 490 O ALA A 30 6.675 13.388 -8.551 1.00 0.00 O ATOM 491 CB ALA A 30 8.749 11.472 -10.115 1.00 0.00 C ATOM 0 H ALA A 30 7.971 10.423 -7.978 1.00 0.00 H new ATOM 0 HA ALA A 30 9.796 12.503 -8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.089 12.147 -10.900 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.410 10.606 -10.070 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.733 11.143 -10.334 1.00 0.00 H new ATOM 497 N PRO A 31 8.485 14.594 -9.257 1.00 0.00 N ATOM 498 CA PRO A 31 7.755 15.850 -9.394 1.00 0.00 C ATOM 499 C PRO A 31 6.766 15.892 -10.573 1.00 0.00 C ATOM 500 O PRO A 31 6.048 16.866 -10.766 1.00 0.00 O ATOM 501 CB PRO A 31 8.847 16.911 -9.620 1.00 0.00 C ATOM 502 CG PRO A 31 10.128 16.152 -9.963 1.00 0.00 C ATOM 503 CD PRO A 31 9.915 14.723 -9.501 1.00 0.00 C ATOM 0 HA PRO A 31 7.141 16.006 -8.507 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.569 17.587 -10.428 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.985 17.521 -8.727 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.326 16.188 -11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.989 16.597 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.248 14.013 -10.258 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.486 14.515 -8.596 1.00 0.00 H new ATOM 511 N MET A 32 6.766 14.786 -11.345 1.00 0.00 N ATOM 512 CA MET A 32 5.884 14.649 -12.480 1.00 0.00 C ATOM 513 C MET A 32 4.423 14.377 -12.072 1.00 0.00 C ATOM 514 O MET A 32 3.494 14.653 -12.823 1.00 0.00 O ATOM 515 CB MET A 32 6.437 13.481 -13.298 1.00 0.00 C ATOM 516 CG MET A 32 7.465 13.927 -14.339 1.00 0.00 C ATOM 517 SD MET A 32 7.644 12.717 -15.663 1.00 0.00 S ATOM 518 CE MET A 32 8.929 11.680 -14.950 1.00 0.00 C ATOM 0 H MET A 32 7.375 13.983 -11.187 1.00 0.00 H new ATOM 0 HA MET A 32 5.857 15.579 -13.048 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.897 12.757 -12.626 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.614 12.972 -13.800 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.163 14.886 -14.761 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.429 14.082 -13.855 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.844 10.669 -15.349 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.908 12.089 -15.202 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.815 11.653 -13.866 1.00 0.00 H new ATOM 528 N ASN A 33 4.285 13.826 -10.848 1.00 0.00 N ATOM 529 CA ASN A 33 2.975 13.473 -10.308 1.00 0.00 C ATOM 530 C ASN A 33 2.905 13.739 -8.799 1.00 0.00 C ATOM 531 O ASN A 33 3.901 13.910 -8.107 1.00 0.00 O ATOM 532 CB ASN A 33 2.612 12.018 -10.649 1.00 0.00 C ATOM 533 CG ASN A 33 2.643 11.790 -12.163 1.00 0.00 C ATOM 534 OD1 ASN A 33 3.640 11.354 -12.720 1.00 0.00 O ATOM 535 ND2 ASN A 33 1.505 12.132 -12.785 1.00 0.00 N ATOM 0 H ASN A 33 5.066 13.621 -10.225 1.00 0.00 H new ATOM 0 HA ASN A 33 2.232 14.114 -10.782 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.312 11.340 -10.160 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.620 11.786 -10.262 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.428 12.035 -13.797 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.716 12.489 -12.246 1.00 0.00 H new ATOM 542 N LYS A 34 1.630 13.798 -8.367 1.00 0.00 N ATOM 543 CA LYS A 34 1.312 14.041 -6.968 1.00 0.00 C ATOM 544 C LYS A 34 0.034 13.303 -6.600 1.00 0.00 C ATOM 545 O LYS A 34 -0.860 13.148 -7.422 1.00 0.00 O ATOM 546 CB LYS A 34 1.232 15.531 -6.638 1.00 0.00 C ATOM 547 CG LYS A 34 0.028 16.264 -7.245 1.00 0.00 C ATOM 548 CD LYS A 34 -1.236 16.108 -6.377 1.00 0.00 C ATOM 549 CE LYS A 34 -1.901 17.436 -6.004 1.00 0.00 C ATOM 550 NZ LYS A 34 -1.190 18.126 -4.929 1.00 0.00 N ATOM 0 H LYS A 34 0.817 13.680 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 34 2.127 13.651 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.201 15.647 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.145 16.014 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.265 17.322 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.168 15.876 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.957 15.489 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.974 15.575 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.941 18.080 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.930 17.251 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.675 19.019 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.173 17.524 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.215 18.326 -5.230 1.00 0.00 H new ATOM 564 N ALA A 35 0.056 12.856 -5.324 1.00 0.00 N ATOM 565 CA ALA A 35 -0.993 12.092 -4.635 1.00 0.00 C ATOM 566 C ALA A 35 -2.047 11.490 -5.605 1.00 0.00 C ATOM 567 O ALA A 35 -2.977 12.175 -6.014 1.00 0.00 O ATOM 568 CB ALA A 35 -1.644 13.018 -3.592 1.00 0.00 C ATOM 0 H ALA A 35 0.857 13.033 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.538 11.230 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.429 12.476 -3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.889 13.350 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.076 13.884 -4.094 1.00 0.00 H new ATOM 574 N GLY A 36 -1.875 10.178 -5.909 1.00 0.00 N ATOM 575 CA GLY A 36 -2.762 9.499 -6.849 1.00 0.00 C ATOM 576 C GLY A 36 -1.972 8.560 -7.754 1.00 0.00 C ATOM 577 O GLY A 36 -2.458 7.517 -8.158 1.00 0.00 O ATOM 0 H GLY A 36 -1.139 9.590 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.517 8.935 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.291 10.235 -7.454 1.00 0.00 H new ATOM 581 N SER A 37 -0.708 8.966 -8.009 1.00 0.00 N ATOM 582 CA SER A 37 0.182 8.059 -8.728 1.00 0.00 C ATOM 583 C SER A 37 0.382 6.863 -7.769 1.00 0.00 C ATOM 584 O SER A 37 0.745 7.011 -6.604 1.00 0.00 O ATOM 585 CB SER A 37 1.517 8.767 -9.130 1.00 0.00 C ATOM 586 OG SER A 37 2.174 9.670 -8.157 1.00 0.00 O ATOM 0 H SER A 37 -0.308 9.865 -7.741 1.00 0.00 H new ATOM 0 HA SER A 37 -0.233 7.725 -9.679 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.235 7.990 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.324 9.343 -10.035 1.00 0.00 H new ATOM 0 HG SER A 37 3.067 9.907 -8.482 1.00 0.00 H new ATOM 592 N PHE A 38 0.117 5.672 -8.367 1.00 0.00 N ATOM 593 CA PHE A 38 0.220 4.407 -7.636 1.00 0.00 C ATOM 594 C PHE A 38 1.021 3.394 -8.517 1.00 0.00 C ATOM 595 O PHE A 38 1.337 3.640 -9.678 1.00 0.00 O ATOM 596 CB PHE A 38 -1.173 3.736 -7.387 1.00 0.00 C ATOM 597 CG PHE A 38 -2.097 4.137 -6.248 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.327 5.434 -5.824 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.843 3.143 -5.621 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.308 5.736 -4.876 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.791 3.420 -4.643 1.00 0.00 C ATOM 602 CZ PHE A 38 -4.043 4.728 -4.276 1.00 0.00 C ATOM 0 H PHE A 38 -0.165 5.574 -9.342 1.00 0.00 H new ATOM 0 HA PHE A 38 0.693 4.632 -6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.745 3.861 -8.307 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.985 2.669 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.732 6.235 -6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.678 2.114 -5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.495 6.766 -4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.331 2.613 -4.170 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.797 4.959 -3.538 1.00 0.00 H new ATOM 612 N LEU A 39 1.328 2.263 -7.833 1.00 0.00 N ATOM 613 CA LEU A 39 2.047 1.107 -8.368 1.00 0.00 C ATOM 614 C LEU A 39 1.590 -0.054 -7.500 1.00 0.00 C ATOM 615 O LEU A 39 1.552 0.100 -6.284 1.00 0.00 O ATOM 616 CB LEU A 39 3.583 1.141 -8.258 1.00 0.00 C ATOM 617 CG LEU A 39 4.222 2.510 -8.295 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.421 2.510 -7.333 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.664 3.028 -9.678 1.00 0.00 C ATOM 0 H LEU A 39 1.065 2.139 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 39 1.830 1.056 -9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.871 0.653 -7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.998 0.546 -9.072 1.00 0.00 H new ATOM 0 HG LEU A 39 3.437 3.204 -7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.897 3.491 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.077 2.286 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.140 1.754 -7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.107 4.018 -9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.400 2.346 -10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.799 3.087 -10.338 1.00 0.00 H new ATOM 631 N ILE A 40 1.229 -1.198 -8.117 1.00 0.00 N ATOM 632 CA ILE A 40 0.816 -2.276 -7.234 1.00 0.00 C ATOM 633 C ILE A 40 2.028 -3.220 -7.459 1.00 0.00 C ATOM 634 O ILE A 40 2.105 -3.883 -8.481 1.00 0.00 O ATOM 635 CB ILE A 40 -0.614 -2.739 -7.669 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.469 -3.269 -6.505 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.576 -3.927 -8.616 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.910 -2.694 -6.550 1.00 0.00 C ATOM 0 H ILE A 40 1.216 -1.381 -9.120 1.00 0.00 H new ATOM 0 HA ILE A 40 0.660 -2.108 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.030 -1.836 -8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.509 -4.357 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.000 -3.004 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.593 -4.209 -8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.022 -3.658 -9.515 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.085 -4.768 -8.126 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.486 -3.090 -5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.870 -1.607 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.387 -2.981 -7.487 1.00 0.00 H new ATOM 650 N ARG A 41 2.985 -3.236 -6.500 1.00 0.00 N ATOM 651 CA ARG A 41 4.141 -4.070 -6.763 1.00 0.00 C ATOM 652 C ARG A 41 3.844 -5.438 -6.157 1.00 0.00 C ATOM 653 O ARG A 41 3.000 -5.549 -5.279 1.00 0.00 O ATOM 654 CB ARG A 41 5.348 -3.335 -6.157 1.00 0.00 C ATOM 655 CG ARG A 41 5.569 -3.459 -4.647 1.00 0.00 C ATOM 656 CD ARG A 41 6.422 -4.670 -4.249 1.00 0.00 C ATOM 657 NE ARG A 41 7.211 -4.326 -3.074 1.00 0.00 N ATOM 658 CZ ARG A 41 8.165 -5.141 -2.591 1.00 0.00 C ATOM 659 NH1 ARG A 41 8.412 -6.319 -3.150 1.00 0.00 N ATOM 660 NH2 ARG A 41 8.872 -4.751 -1.540 1.00 0.00 N ATOM 0 H ARG A 41 2.974 -2.724 -5.618 1.00 0.00 H new ATOM 0 HA ARG A 41 4.365 -4.239 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.247 -3.694 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.251 -2.276 -6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.050 -2.551 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.601 -3.528 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.783 -5.527 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.077 -4.957 -5.072 1.00 0.00 H new ATOM 0 HE ARG A 41 7.034 -3.439 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.874 -6.621 -3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.140 -6.922 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.689 -3.844 -1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.599 -5.357 -1.161 1.00 0.00 H new ATOM 674 N GLU A 42 4.561 -6.462 -6.649 1.00 0.00 N ATOM 675 CA GLU A 42 4.315 -7.805 -6.118 1.00 0.00 C ATOM 676 C GLU A 42 5.290 -8.089 -4.986 1.00 0.00 C ATOM 677 O GLU A 42 6.455 -7.727 -5.077 1.00 0.00 O ATOM 678 CB GLU A 42 4.357 -8.861 -7.234 1.00 0.00 C ATOM 679 CG GLU A 42 5.744 -9.255 -7.716 1.00 0.00 C ATOM 680 CD GLU A 42 5.669 -10.318 -8.835 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.851 -10.174 -9.744 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.432 -11.280 -8.784 1.00 0.00 O ATOM 0 H GLU A 42 5.276 -6.393 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 42 3.308 -7.857 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.847 -9.757 -6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.789 -8.486 -8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.268 -8.373 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.325 -9.644 -6.880 1.00 0.00 H new ATOM 689 N SER A 43 4.783 -8.733 -3.914 1.00 0.00 N ATOM 690 CA SER A 43 5.724 -9.035 -2.843 1.00 0.00 C ATOM 691 C SER A 43 6.527 -10.253 -3.341 1.00 0.00 C ATOM 692 O SER A 43 5.955 -11.316 -3.546 1.00 0.00 O ATOM 693 CB SER A 43 4.912 -9.380 -1.574 1.00 0.00 C ATOM 694 OG SER A 43 5.514 -9.664 -0.249 1.00 0.00 O ATOM 0 H SER A 43 3.816 -9.027 -3.779 1.00 0.00 H new ATOM 0 HA SER A 43 6.391 -8.208 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.221 -8.551 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.311 -10.253 -1.827 1.00 0.00 H new ATOM 0 HG SER A 43 5.916 -10.558 -0.257 1.00 0.00 H new ATOM 700 N GLU A 44 7.834 -10.026 -3.598 1.00 0.00 N ATOM 701 CA GLU A 44 8.730 -11.073 -4.091 1.00 0.00 C ATOM 702 C GLU A 44 9.153 -12.073 -2.977 1.00 0.00 C ATOM 703 O GLU A 44 10.323 -12.385 -2.791 1.00 0.00 O ATOM 704 CB GLU A 44 9.970 -10.448 -4.745 1.00 0.00 C ATOM 705 CG GLU A 44 10.668 -9.405 -3.847 1.00 0.00 C ATOM 706 CD GLU A 44 12.104 -9.065 -4.303 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.286 -8.544 -5.399 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.033 -9.309 -3.537 1.00 0.00 O ATOM 0 H GLU A 44 8.285 -9.120 -3.469 1.00 0.00 H new ATOM 0 HA GLU A 44 8.174 -11.643 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.679 -11.238 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.679 -9.975 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.073 -8.492 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.699 -9.780 -2.824 1.00 0.00 H new ATOM 715 N SER A 45 8.124 -12.547 -2.266 1.00 0.00 N ATOM 716 CA SER A 45 8.248 -13.479 -1.164 1.00 0.00 C ATOM 717 C SER A 45 7.093 -14.494 -1.215 1.00 0.00 C ATOM 718 O SER A 45 7.280 -15.685 -0.997 1.00 0.00 O ATOM 719 CB SER A 45 8.211 -12.667 0.161 1.00 0.00 C ATOM 720 OG SER A 45 6.946 -12.039 0.610 1.00 0.00 O ATOM 0 H SER A 45 7.158 -12.279 -2.455 1.00 0.00 H new ATOM 0 HA SER A 45 9.186 -14.031 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.544 -13.332 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.954 -11.874 0.076 1.00 0.00 H new ATOM 0 HG SER A 45 7.096 -11.570 1.458 1.00 0.00 H new ATOM 726 N ASN A 46 5.891 -13.943 -1.498 1.00 0.00 N ATOM 727 CA ASN A 46 4.657 -14.723 -1.601 1.00 0.00 C ATOM 728 C ASN A 46 4.245 -14.882 -3.076 1.00 0.00 C ATOM 729 O ASN A 46 4.219 -13.930 -3.842 1.00 0.00 O ATOM 730 CB ASN A 46 3.500 -14.060 -0.842 1.00 0.00 C ATOM 731 CG ASN A 46 3.521 -12.578 -1.070 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.395 -12.129 -2.195 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.679 -11.864 0.060 1.00 0.00 N ATOM 0 H ASN A 46 5.759 -12.945 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 46 4.859 -15.698 -1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.549 -14.475 -1.177 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.583 -14.274 0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.702 -10.845 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.776 -12.342 0.956 1.00 0.00 H new ATOM 740 N LYS A 47 3.982 -16.144 -3.435 1.00 0.00 N ATOM 741 CA LYS A 47 3.518 -16.522 -4.767 1.00 0.00 C ATOM 742 C LYS A 47 2.058 -16.111 -5.091 1.00 0.00 C ATOM 743 O LYS A 47 1.319 -16.860 -5.718 1.00 0.00 O ATOM 744 CB LYS A 47 3.865 -17.975 -5.101 1.00 0.00 C ATOM 745 CG LYS A 47 3.580 -18.915 -3.960 1.00 0.00 C ATOM 746 CD LYS A 47 2.162 -18.770 -3.405 1.00 0.00 C ATOM 747 CE LYS A 47 1.823 -19.892 -2.446 1.00 0.00 C ATOM 748 NZ LYS A 47 0.830 -19.477 -1.459 1.00 0.00 N ATOM 0 H LYS A 47 4.087 -16.936 -2.800 1.00 0.00 H new ATOM 0 HA LYS A 47 4.089 -15.910 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.296 -18.289 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.920 -18.041 -5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.729 -19.941 -4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.298 -18.734 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.067 -17.812 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.447 -18.765 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.444 -20.747 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.728 -20.221 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.623 -20.271 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.201 -18.677 -0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.043 -19.187 -1.945 1.00 0.00 H new ATOM 762 N GLY A 48 1.670 -14.916 -4.623 1.00 0.00 N ATOM 763 CA GLY A 48 0.312 -14.461 -4.867 1.00 0.00 C ATOM 764 C GLY A 48 -0.072 -13.169 -4.156 1.00 0.00 C ATOM 765 O GLY A 48 -1.177 -12.681 -4.354 1.00 0.00 O ATOM 0 H GLY A 48 2.259 -14.274 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.179 -14.321 -5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.379 -15.246 -4.560 1.00 0.00 H new ATOM 769 N ALA A 49 0.857 -12.628 -3.331 1.00 0.00 N ATOM 770 CA ALA A 49 0.499 -11.365 -2.647 1.00 0.00 C ATOM 771 C ALA A 49 1.109 -10.156 -3.397 1.00 0.00 C ATOM 772 O ALA A 49 2.061 -10.277 -4.158 1.00 0.00 O ATOM 773 CB ALA A 49 0.811 -11.358 -1.135 1.00 0.00 C ATOM 0 H ALA A 49 1.783 -13.007 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.587 -11.277 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.520 -10.398 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.255 -12.157 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.879 -11.514 -0.983 1.00 0.00 H new ATOM 779 N PHE A 50 0.481 -8.991 -3.130 1.00 0.00 N ATOM 780 CA PHE A 50 0.862 -7.721 -3.745 1.00 0.00 C ATOM 781 C PHE A 50 0.819 -6.614 -2.661 1.00 0.00 C ATOM 782 O PHE A 50 0.399 -6.840 -1.533 1.00 0.00 O ATOM 783 CB PHE A 50 -0.068 -7.421 -4.961 1.00 0.00 C ATOM 784 CG PHE A 50 0.076 -8.381 -6.114 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.703 -9.535 -6.183 1.00 0.00 C ATOM 786 CD2 PHE A 50 0.959 -8.115 -7.153 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.601 -10.400 -7.262 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.052 -8.970 -8.243 1.00 0.00 C ATOM 789 CZ PHE A 50 0.271 -10.115 -8.300 1.00 0.00 C ATOM 0 H PHE A 50 -0.302 -8.914 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 50 1.878 -7.764 -4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.104 -7.435 -4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.137 -6.412 -5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.396 -9.758 -5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.580 -7.233 -7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.202 -11.297 -7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.734 -8.743 -9.049 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.342 -10.780 -9.148 1.00 0.00 H new ATOM 799 N SER A 51 1.244 -5.409 -3.103 1.00 0.00 N ATOM 800 CA SER A 51 1.326 -4.220 -2.258 1.00 0.00 C ATOM 801 C SER A 51 1.040 -2.977 -3.104 1.00 0.00 C ATOM 802 O SER A 51 1.135 -3.042 -4.316 1.00 0.00 O ATOM 803 CB SER A 51 2.739 -4.193 -1.593 1.00 0.00 C ATOM 804 OG SER A 51 3.220 -5.349 -0.795 1.00 0.00 O ATOM 0 H SER A 51 1.540 -5.244 -4.065 1.00 0.00 H new ATOM 0 HA SER A 51 0.580 -4.238 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.465 -4.027 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.772 -3.318 -0.944 1.00 0.00 H new ATOM 0 HG SER A 51 4.120 -5.161 -0.457 1.00 0.00 H new ATOM 810 N LEU A 52 0.804 -1.834 -2.418 1.00 0.00 N ATOM 811 CA LEU A 52 0.450 -0.605 -3.152 1.00 0.00 C ATOM 812 C LEU A 52 1.149 0.641 -2.555 1.00 0.00 C ATOM 813 O LEU A 52 1.033 0.963 -1.379 1.00 0.00 O ATOM 814 CB LEU A 52 -1.087 -0.485 -3.041 1.00 0.00 C ATOM 815 CG LEU A 52 -1.857 0.338 -4.088 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.413 0.098 -5.535 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.374 0.115 -3.911 1.00 0.00 C ATOM 0 H LEU A 52 0.850 -1.740 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 52 0.779 -0.658 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.496 -1.495 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.312 -0.062 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.616 1.385 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.008 0.718 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.359 0.357 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.555 -0.952 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.917 0.699 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.604 -0.942 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.674 0.430 -2.912 1.00 0.00 H new ATOM 829 N SER A 53 1.909 1.271 -3.481 1.00 0.00 N ATOM 830 CA SER A 53 2.696 2.465 -3.247 1.00 0.00 C ATOM 831 C SER A 53 1.907 3.665 -3.802 1.00 0.00 C ATOM 832 O SER A 53 1.505 3.631 -4.951 1.00 0.00 O ATOM 833 CB SER A 53 4.052 2.300 -4.024 1.00 0.00 C ATOM 834 OG SER A 53 4.788 1.017 -3.915 1.00 0.00 O ATOM 0 H SER A 53 1.981 0.935 -4.441 1.00 0.00 H new ATOM 0 HA SER A 53 2.897 2.621 -2.187 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.850 2.476 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.721 3.093 -3.691 1.00 0.00 H new ATOM 0 HG SER A 53 5.607 1.063 -4.451 1.00 0.00 H new ATOM 840 N VAL A 54 1.722 4.718 -2.975 1.00 0.00 N ATOM 841 CA VAL A 54 1.006 5.925 -3.419 1.00 0.00 C ATOM 842 C VAL A 54 1.787 7.083 -2.859 1.00 0.00 C ATOM 843 O VAL A 54 2.262 6.992 -1.744 1.00 0.00 O ATOM 844 CB VAL A 54 -0.423 6.053 -2.848 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.199 7.277 -3.417 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.115 4.713 -3.003 1.00 0.00 C ATOM 0 H VAL A 54 2.055 4.753 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 54 0.923 5.891 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.386 6.283 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.196 7.312 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.662 8.194 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.283 7.183 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.128 4.779 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.156 4.444 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.560 3.951 -2.456 1.00 0.00 H new ATOM 856 N LYS A 55 1.864 8.197 -3.598 1.00 0.00 N ATOM 857 CA LYS A 55 2.660 9.249 -2.973 1.00 0.00 C ATOM 858 C LYS A 55 1.815 9.972 -1.914 1.00 0.00 C ATOM 859 O LYS A 55 0.751 10.492 -2.220 1.00 0.00 O ATOM 860 CB LYS A 55 3.019 10.231 -4.095 1.00 0.00 C ATOM 861 CG LYS A 55 4.069 11.303 -3.805 1.00 0.00 C ATOM 862 CD LYS A 55 3.909 12.487 -4.769 1.00 0.00 C ATOM 863 CE LYS A 55 4.961 13.573 -4.558 1.00 0.00 C ATOM 864 NZ LYS A 55 4.849 14.723 -5.453 1.00 0.00 N ATOM 0 H LYS A 55 1.445 8.381 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 55 3.549 8.846 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.364 9.649 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.103 10.736 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.970 11.648 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.068 10.878 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.970 12.124 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.917 12.920 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.897 13.925 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.949 13.130 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.771 15.200 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.553 14.401 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.143 15.388 -5.077 1.00 0.00 H new ATOM 878 N ASP A 56 2.370 10.052 -0.681 1.00 0.00 N ATOM 879 CA ASP A 56 1.578 10.791 0.294 1.00 0.00 C ATOM 880 C ASP A 56 2.299 12.121 0.500 1.00 0.00 C ATOM 881 O ASP A 56 3.515 12.255 0.509 1.00 0.00 O ATOM 882 CB ASP A 56 1.497 9.984 1.602 1.00 0.00 C ATOM 883 CG ASP A 56 0.046 9.676 2.008 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.736 9.246 1.160 1.00 0.00 O ATOM 885 OD2 ASP A 56 -0.282 9.859 3.178 1.00 0.00 O ATOM 0 H ASP A 56 3.260 9.660 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 56 0.555 10.961 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.045 9.049 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.985 10.542 2.401 1.00 0.00 H new ATOM 890 N ILE A 57 1.393 13.104 0.584 1.00 0.00 N ATOM 891 CA ILE A 57 1.760 14.498 0.728 1.00 0.00 C ATOM 892 C ILE A 57 0.992 15.079 1.909 1.00 0.00 C ATOM 893 O ILE A 57 -0.231 15.053 1.949 1.00 0.00 O ATOM 894 CB ILE A 57 1.456 15.227 -0.581 1.00 0.00 C ATOM 895 CG1 ILE A 57 2.092 14.487 -1.780 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.927 16.685 -0.490 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.076 15.307 -3.055 1.00 0.00 C ATOM 0 H ILE A 57 0.386 12.943 0.553 1.00 0.00 H new ATOM 0 HA ILE A 57 2.825 14.614 0.929 1.00 0.00 H new ATOM 0 HB ILE A 57 0.378 15.234 -0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.121 14.226 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.558 13.552 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.707 17.198 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.408 17.185 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.001 16.710 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.536 14.735 -3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.046 15.546 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.635 16.230 -2.901 1.00 0.00 H new ATOM 909 N THR A 58 1.813 15.485 2.892 1.00 0.00 N ATOM 910 CA THR A 58 1.302 16.085 4.118 1.00 0.00 C ATOM 911 C THR A 58 2.129 17.325 4.474 1.00 0.00 C ATOM 912 O THR A 58 3.113 17.645 3.818 1.00 0.00 O ATOM 913 CB THR A 58 1.419 15.015 5.234 1.00 0.00 C ATOM 914 OG1 THR A 58 0.769 15.265 6.516 1.00 0.00 O ATOM 915 CG2 THR A 58 2.871 14.457 5.311 1.00 0.00 C ATOM 0 H THR A 58 2.829 15.405 2.854 1.00 0.00 H new ATOM 0 HA THR A 58 0.265 16.399 3.999 1.00 0.00 H new ATOM 0 HB THR A 58 0.762 14.211 4.901 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.927 14.507 7.116 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.931 13.708 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.137 14.001 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.562 15.271 5.530 1.00 0.00 H new ATOM 923 N THR A 59 1.662 18.007 5.549 1.00 0.00 N ATOM 924 CA THR A 59 2.338 19.186 6.107 1.00 0.00 C ATOM 925 C THR A 59 3.738 18.874 6.701 1.00 0.00 C ATOM 926 O THR A 59 4.341 19.740 7.324 1.00 0.00 O ATOM 927 CB THR A 59 1.483 20.172 6.977 1.00 0.00 C ATOM 928 OG1 THR A 59 2.089 21.481 7.251 1.00 0.00 O ATOM 929 CG2 THR A 59 0.854 19.502 8.232 1.00 0.00 C ATOM 0 H THR A 59 0.809 17.750 6.046 1.00 0.00 H new ATOM 0 HA THR A 59 2.504 19.787 5.213 1.00 0.00 H new ATOM 0 HB THR A 59 0.652 20.424 6.318 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.055 21.375 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.276 20.241 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.199 18.689 7.920 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.646 19.107 8.869 1.00 0.00 H new ATOM 937 N GLN A 60 4.160 17.589 6.601 1.00 0.00 N ATOM 938 CA GLN A 60 5.457 17.167 7.147 1.00 0.00 C ATOM 939 C GLN A 60 6.577 16.974 6.087 1.00 0.00 C ATOM 940 O GLN A 60 7.659 17.541 6.189 1.00 0.00 O ATOM 941 CB GLN A 60 5.243 15.896 7.972 1.00 0.00 C ATOM 942 CG GLN A 60 4.310 16.123 9.173 1.00 0.00 C ATOM 943 CD GLN A 60 3.906 14.771 9.768 1.00 0.00 C ATOM 944 OE1 GLN A 60 4.728 13.884 9.943 1.00 0.00 O ATOM 945 NE2 GLN A 60 2.601 14.655 10.057 1.00 0.00 N ATOM 0 H GLN A 60 3.625 16.844 6.154 1.00 0.00 H new ATOM 0 HA GLN A 60 5.825 17.980 7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.825 15.118 7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.206 15.532 8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.812 16.729 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.423 16.674 8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.969 15.437 9.885 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.241 13.785 10.449 1.00 0.00 H new ATOM 954 N GLY A 61 6.264 16.111 5.096 1.00 0.00 N ATOM 955 CA GLY A 61 7.217 15.787 4.038 1.00 0.00 C ATOM 956 C GLY A 61 6.584 14.884 2.973 1.00 0.00 C ATOM 957 O GLY A 61 5.520 14.307 3.163 1.00 0.00 O ATOM 0 H GLY A 61 5.365 15.636 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.573 16.706 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.086 15.290 4.469 1.00 0.00 H new ATOM 961 N GLU A 62 7.311 14.818 1.835 1.00 0.00 N ATOM 962 CA GLU A 62 6.917 14.022 0.691 1.00 0.00 C ATOM 963 C GLU A 62 7.395 12.571 0.876 1.00 0.00 C ATOM 964 O GLU A 62 8.580 12.285 0.996 1.00 0.00 O ATOM 965 CB GLU A 62 7.548 14.681 -0.541 1.00 0.00 C ATOM 966 CG GLU A 62 6.744 14.379 -1.795 1.00 0.00 C ATOM 967 CD GLU A 62 7.313 15.103 -3.029 1.00 0.00 C ATOM 968 OE1 GLU A 62 8.408 14.754 -3.461 1.00 0.00 O ATOM 969 OE2 GLU A 62 6.642 15.994 -3.555 1.00 0.00 O ATOM 0 H GLU A 62 8.187 15.323 1.702 1.00 0.00 H new ATOM 0 HA GLU A 62 5.834 13.982 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.604 15.759 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.570 14.323 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.741 13.304 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.707 14.680 -1.643 1.00 0.00 H new ATOM 976 N VAL A 63 6.372 11.692 0.908 1.00 0.00 N ATOM 977 CA VAL A 63 6.548 10.262 1.111 1.00 0.00 C ATOM 978 C VAL A 63 5.675 9.497 0.101 1.00 0.00 C ATOM 979 O VAL A 63 5.029 10.070 -0.764 1.00 0.00 O ATOM 980 CB VAL A 63 6.135 9.932 2.566 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.927 10.771 3.577 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.610 10.071 2.783 1.00 0.00 C ATOM 0 H VAL A 63 5.397 11.970 0.791 1.00 0.00 H new ATOM 0 HA VAL A 63 7.585 9.966 0.955 1.00 0.00 H new ATOM 0 HB VAL A 63 6.385 8.885 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.612 10.514 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.992 10.566 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.740 11.830 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.366 9.830 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.304 11.095 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.084 9.387 2.117 1.00 0.00 H new ATOM 992 N VAL A 64 5.681 8.163 0.320 1.00 0.00 N ATOM 993 CA VAL A 64 4.885 7.209 -0.440 1.00 0.00 C ATOM 994 C VAL A 64 3.909 6.632 0.584 1.00 0.00 C ATOM 995 O VAL A 64 3.711 7.202 1.639 1.00 0.00 O ATOM 996 CB VAL A 64 5.774 6.201 -1.221 1.00 0.00 C ATOM 997 CG1 VAL A 64 5.064 5.186 -2.136 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.624 6.967 -2.195 1.00 0.00 C ATOM 0 H VAL A 64 6.252 7.726 1.043 1.00 0.00 H new ATOM 0 HA VAL A 64 4.316 7.650 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 64 6.280 5.661 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.806 4.548 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.387 4.572 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.496 5.719 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.254 6.274 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.983 7.511 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.253 7.673 -1.652 1.00 0.00 H new ATOM 1008 N LYS A 65 3.269 5.538 0.201 1.00 0.00 N ATOM 1009 CA LYS A 65 2.336 4.800 1.036 1.00 0.00 C ATOM 1010 C LYS A 65 2.579 3.327 0.854 1.00 0.00 C ATOM 1011 O LYS A 65 3.140 2.930 -0.147 1.00 0.00 O ATOM 1012 CB LYS A 65 0.897 5.093 0.625 1.00 0.00 C ATOM 1013 CG LYS A 65 0.487 6.473 1.106 1.00 0.00 C ATOM 1014 CD LYS A 65 0.370 6.511 2.644 1.00 0.00 C ATOM 1015 CE LYS A 65 -1.062 6.706 3.127 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.489 5.601 3.975 1.00 0.00 N ATOM 0 H LYS A 65 3.388 5.128 -0.725 1.00 0.00 H new ATOM 0 HA LYS A 65 2.487 5.100 2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.801 5.034 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.230 4.340 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.219 7.210 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.468 6.749 0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.763 5.582 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.991 7.319 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.137 7.642 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.730 6.788 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.346 5.168 3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.732 4.889 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.694 5.956 4.931 1.00 0.00 H new ATOM 1030 N HIS A 66 2.086 2.530 1.819 1.00 0.00 N ATOM 1031 CA HIS A 66 2.257 1.096 1.673 1.00 0.00 C ATOM 1032 C HIS A 66 1.009 0.351 2.200 1.00 0.00 C ATOM 1033 O HIS A 66 0.831 0.212 3.404 1.00 0.00 O ATOM 1034 CB HIS A 66 3.492 0.678 2.492 1.00 0.00 C ATOM 1035 CG HIS A 66 4.756 1.180 1.838 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.593 2.071 2.411 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.261 0.840 0.573 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.575 2.269 1.520 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.401 1.539 0.404 1.00 0.00 N ATOM 0 H HIS A 66 1.595 2.841 2.657 1.00 0.00 H new ATOM 0 HA HIS A 66 2.390 0.843 0.621 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.416 1.076 3.504 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.527 -0.408 2.579 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.820 0.150 -0.131 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.409 2.937 1.680 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.013 1.518 -0.412 1.00 0.00 H new ATOM 1047 N TYR A 67 0.204 -0.180 1.250 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.000 -0.967 1.580 1.00 0.00 C ATOM 1049 C TYR A 67 -0.621 -2.436 1.308 1.00 0.00 C ATOM 1050 O TYR A 67 0.549 -2.750 1.138 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.232 -0.548 0.750 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.729 0.794 1.182 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.569 0.861 2.282 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.334 1.965 0.546 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.995 2.075 2.783 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.727 3.205 1.050 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.559 3.270 2.176 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.947 4.532 2.613 1.00 0.00 O ATOM 0 H TYR A 67 0.370 -0.076 0.249 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.292 -0.803 2.617 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.972 -0.522 -0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.023 -1.289 0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.896 -0.053 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.721 1.915 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.658 2.109 3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.391 4.114 0.573 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.709 4.447 3.223 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.638 -3.324 1.262 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.354 -4.745 1.064 1.00 0.00 C ATOM 1070 C LYS A 68 -2.594 -5.535 0.576 1.00 0.00 C ATOM 1071 O LYS A 68 -3.558 -5.810 1.282 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.771 -5.298 2.370 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.789 -5.631 3.434 1.00 0.00 C ATOM 1074 CD LYS A 68 -2.667 -4.420 3.792 1.00 0.00 C ATOM 1075 CE LYS A 68 -3.542 -4.686 5.000 1.00 0.00 C ATOM 1076 NZ LYS A 68 -4.868 -5.170 4.617 1.00 0.00 N ATOM 0 H LYS A 68 -2.625 -3.086 1.356 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.623 -4.865 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.199 -6.197 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.070 -4.568 2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.422 -6.448 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.276 -5.984 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.031 -3.557 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.296 -4.164 2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.059 -5.421 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.644 -3.771 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.329 -5.608 5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.445 -4.373 4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.774 -5.874 3.858 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.452 -5.897 -0.710 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.416 -6.696 -1.463 1.00 0.00 C ATOM 1092 C ILE A 69 -3.098 -8.188 -1.317 1.00 0.00 C ATOM 1093 O ILE A 69 -2.018 -8.678 -1.606 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.587 -6.232 -2.933 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.361 -5.582 -3.566 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.886 -5.518 -3.238 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.334 -4.069 -3.459 1.00 0.00 C ATOM 0 H ILE A 69 -1.638 -5.631 -1.264 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.400 -6.530 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.675 -7.183 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.465 -5.984 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.318 -5.861 -4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.907 -5.235 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.724 -6.181 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.963 -4.623 -2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.430 -3.687 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.209 -3.653 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.343 -3.778 -2.409 1.00 0.00 H new ATOM 1109 N ARG A 70 -4.148 -8.849 -0.805 1.00 0.00 N ATOM 1110 CA ARG A 70 -4.149 -10.279 -0.582 1.00 0.00 C ATOM 1111 C ARG A 70 -4.826 -10.912 -1.786 1.00 0.00 C ATOM 1112 O ARG A 70 -5.418 -10.220 -2.597 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.901 -10.595 0.721 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.955 -10.559 1.924 1.00 0.00 C ATOM 1115 CD ARG A 70 -4.242 -11.776 2.786 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.741 -11.584 4.137 1.00 0.00 N ATOM 1117 CZ ARG A 70 -4.073 -12.428 5.133 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -4.793 -13.517 4.892 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -3.674 -12.165 6.369 1.00 0.00 N ATOM 0 H ARG A 70 -5.019 -8.391 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.139 -10.675 -0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.705 -9.874 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.365 -11.579 0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.917 -10.564 1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.102 -9.643 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.316 -11.961 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.778 -12.658 2.344 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.126 -10.795 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.102 -13.724 3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.037 -14.147 5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.121 -11.330 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.920 -12.798 7.130 1.00 0.00 H new ATOM 1133 N SER A 71 -4.772 -12.256 -1.805 1.00 0.00 N ATOM 1134 CA SER A 71 -5.367 -12.996 -2.893 1.00 0.00 C ATOM 1135 C SER A 71 -6.172 -14.150 -2.307 1.00 0.00 C ATOM 1136 O SER A 71 -5.635 -15.099 -1.748 1.00 0.00 O ATOM 1137 CB SER A 71 -4.223 -13.532 -3.782 1.00 0.00 C ATOM 1138 OG SER A 71 -3.036 -14.111 -3.108 1.00 0.00 O ATOM 0 H SER A 71 -4.328 -12.828 -1.087 1.00 0.00 H new ATOM 0 HA SER A 71 -6.029 -12.369 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.640 -14.295 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.882 -12.715 -4.417 1.00 0.00 H new ATOM 0 HG SER A 71 -2.289 -13.478 -3.160 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.501 -13.958 -2.429 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.471 -14.903 -1.916 1.00 0.00 C ATOM 1146 C LEU A 72 -8.909 -15.869 -3.002 1.00 0.00 C ATOM 1147 O LEU A 72 -9.037 -15.521 -4.168 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.659 -14.139 -1.319 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.251 -12.850 -0.622 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -8.062 -13.106 0.323 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -9.075 -11.683 -1.626 1.00 0.00 C ATOM 0 H LEU A 72 -7.914 -13.144 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.014 -15.500 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.369 -13.907 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.176 -14.782 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.060 -12.509 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.781 -12.175 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.347 -13.842 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.216 -13.483 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.784 -10.781 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.302 -11.939 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.016 -11.506 -2.147 1.00 0.00 H new ATOM 1163 N ASP A 73 -9.183 -17.086 -2.497 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.626 -18.175 -3.367 1.00 0.00 C ATOM 1165 C ASP A 73 -10.982 -17.893 -4.026 1.00 0.00 C ATOM 1166 O ASP A 73 -11.283 -18.400 -5.100 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.788 -19.480 -2.575 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.680 -19.332 -1.323 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -10.206 -18.800 -0.320 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.837 -19.748 -1.373 1.00 0.00 O ATOM 0 H ASP A 73 -9.106 -17.331 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.855 -18.263 -4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.215 -20.242 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.804 -19.836 -2.271 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.756 -17.044 -3.325 1.00 0.00 N ATOM 1176 CA ASN A 74 -13.077 -16.694 -3.814 1.00 0.00 C ATOM 1177 C ASN A 74 -13.433 -15.244 -3.456 1.00 0.00 C ATOM 1178 O ASN A 74 -14.552 -14.904 -3.093 1.00 0.00 O ATOM 1179 CB ASN A 74 -14.115 -17.677 -3.260 1.00 0.00 C ATOM 1180 CG ASN A 74 -14.285 -17.625 -1.728 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -13.485 -17.063 -0.993 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -15.398 -18.243 -1.305 1.00 0.00 N ATOM 0 H ASN A 74 -11.489 -16.605 -2.444 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.078 -16.767 -4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.078 -17.472 -3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.830 -18.689 -3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.623 -18.265 -0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.020 -18.691 -1.978 1.00 0.00 H new ATOM 1189 N GLY A 75 -12.379 -14.424 -3.607 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.511 -13.001 -3.320 1.00 0.00 C ATOM 1191 C GLY A 75 -11.509 -12.119 -4.057 1.00 0.00 C ATOM 1192 O GLY A 75 -11.407 -10.936 -3.795 1.00 0.00 O ATOM 0 H GLY A 75 -11.453 -14.719 -3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.520 -12.681 -3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.395 -12.846 -2.247 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.778 -12.736 -4.995 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.803 -12.032 -5.812 1.00 0.00 C ATOM 1198 C GLY A 76 -8.698 -11.329 -5.036 1.00 0.00 C ATOM 1199 O GLY A 76 -7.681 -11.925 -4.720 1.00 0.00 O ATOM 0 H GLY A 76 -10.851 -13.732 -5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.346 -12.744 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.326 -11.293 -6.419 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.997 -10.050 -4.699 1.00 0.00 N ATOM 1204 CA TYR A 77 -8.053 -9.206 -4.000 1.00 0.00 C ATOM 1205 C TYR A 77 -8.815 -8.353 -2.996 1.00 0.00 C ATOM 1206 O TYR A 77 -9.957 -7.971 -3.206 1.00 0.00 O ATOM 1207 CB TYR A 77 -7.279 -8.332 -5.004 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.475 -9.163 -5.960 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -7.023 -9.595 -7.153 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -5.169 -9.493 -5.658 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -6.286 -10.337 -8.061 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -4.415 -10.255 -6.536 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.960 -10.664 -7.758 1.00 0.00 C ATOM 1214 OH TYR A 77 -4.186 -11.383 -8.659 1.00 0.00 O ATOM 0 H TYR A 77 -9.888 -9.600 -4.909 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.324 -9.816 -3.467 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.980 -7.712 -5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.616 -7.657 -4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.049 -9.348 -7.382 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.732 -9.155 -4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.730 -10.659 -8.992 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.404 -10.534 -6.276 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.291 -11.519 -8.285 1.00 0.00 H new ATOM 1224 N TYR A 78 -8.092 -8.074 -1.889 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.705 -7.248 -0.828 1.00 0.00 C ATOM 1226 C TYR A 78 -7.638 -6.522 0.012 1.00 0.00 C ATOM 1227 O TYR A 78 -6.535 -7.019 0.201 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.675 -8.055 0.069 1.00 0.00 C ATOM 1229 CG TYR A 78 -9.099 -8.629 1.352 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -9.013 -7.798 2.466 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.684 -9.957 1.488 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.520 -8.236 3.682 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.205 -10.419 2.719 1.00 0.00 C ATOM 1234 CZ TYR A 78 -8.095 -9.561 3.820 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.580 -10.024 5.028 1.00 0.00 O ATOM 0 H TYR A 78 -7.138 -8.388 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.304 -6.491 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.513 -7.409 0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -10.079 -8.878 -0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.343 -6.774 2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.733 -10.627 0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.464 -7.558 4.521 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.915 -11.454 2.821 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.337 -10.969 4.939 1.00 0.00 H new ATOM 1245 N ILE A 79 -8.005 -5.259 0.384 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.068 -4.460 1.234 1.00 0.00 C ATOM 1247 C ILE A 79 -7.763 -4.074 2.551 1.00 0.00 C ATOM 1248 O ILE A 79 -7.180 -4.058 3.629 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.418 -3.208 0.584 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.371 -2.499 -0.339 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.078 -3.470 -0.102 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.754 -1.322 -1.117 1.00 0.00 C ATOM 0 H ILE A 79 -8.879 -4.798 0.131 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.224 -5.129 1.401 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.190 -2.549 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.769 -3.220 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.214 -2.129 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.699 -2.541 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.364 -3.853 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.213 -4.204 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.513 -0.871 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.382 -0.577 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.930 -1.684 -1.732 1.00 0.00 H new ATOM 1264 N SER A 80 -9.065 -3.825 2.375 1.00 0.00 N ATOM 1265 CA SER A 80 -9.986 -3.450 3.418 1.00 0.00 C ATOM 1266 C SER A 80 -11.005 -4.586 3.311 1.00 0.00 C ATOM 1267 O SER A 80 -11.681 -4.691 2.300 1.00 0.00 O ATOM 1268 CB SER A 80 -10.643 -2.060 3.110 1.00 0.00 C ATOM 1269 OG SER A 80 -9.865 -0.799 3.148 1.00 0.00 O ATOM 0 H SER A 80 -9.510 -3.886 1.459 1.00 0.00 H new ATOM 0 HA SER A 80 -9.541 -3.334 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.078 -2.132 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.470 -1.941 3.810 1.00 0.00 H new ATOM 0 HG SER A 80 -10.452 -0.046 2.926 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.082 -5.463 4.364 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.954 -6.637 4.321 1.00 0.00 C ATOM 1277 C PRO A 81 -13.451 -6.374 4.156 1.00 0.00 C ATOM 1278 O PRO A 81 -14.247 -7.293 4.024 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.755 -7.288 5.702 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.670 -6.533 6.451 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.344 -5.330 5.604 1.00 0.00 C ATOM 0 HA PRO A 81 -11.682 -7.227 3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.687 -7.267 6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.475 -8.335 5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.015 -6.232 7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.789 -7.158 6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.621 -4.411 6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.273 -5.276 5.410 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.762 -5.071 4.057 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.125 -4.661 3.780 1.00 0.00 C ATOM 1291 C ARG A 82 -15.296 -4.834 2.246 1.00 0.00 C ATOM 1292 O ARG A 82 -16.179 -5.531 1.760 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.411 -3.233 4.293 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.242 -2.225 4.262 1.00 0.00 C ATOM 1295 CD ARG A 82 -13.515 -2.093 5.612 1.00 0.00 C ATOM 1296 NE ARG A 82 -12.943 -0.751 5.751 1.00 0.00 N ATOM 1297 CZ ARG A 82 -12.433 -0.292 6.914 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -12.358 -1.080 7.980 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -12.001 0.961 6.998 1.00 0.00 N ATOM 0 H ARG A 82 -13.095 -4.307 4.164 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.860 -5.266 4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.229 -2.820 3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.765 -3.308 5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.526 -2.533 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.622 -1.248 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.211 -2.286 6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.726 -2.842 5.683 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.930 -0.138 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.688 -2.044 7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.971 -0.722 8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.055 1.575 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.615 1.310 7.876 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.375 -4.134 1.548 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.250 -4.119 0.092 1.00 0.00 C ATOM 1315 C ILE A 83 -13.145 -5.089 -0.468 1.00 0.00 C ATOM 1316 O ILE A 83 -11.927 -5.003 -0.236 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.203 -2.693 -0.431 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.306 -1.823 0.421 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.591 -2.040 -0.461 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.330 -0.415 -0.157 1.00 0.00 C ATOM 0 H ILE A 83 -13.679 -3.547 2.008 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.158 -4.556 -0.323 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.812 -2.764 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.652 -1.817 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.289 -2.215 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.506 -1.022 -0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.250 -2.616 -1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -16.004 -2.017 0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.690 0.234 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.967 -0.437 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.351 -0.032 -0.141 1.00 0.00 H new ATOM 1332 N THR A 84 -13.754 -6.002 -1.262 1.00 0.00 N ATOM 1333 CA THR A 84 -13.090 -7.087 -1.989 1.00 0.00 C ATOM 1334 C THR A 84 -13.366 -6.853 -3.508 1.00 0.00 C ATOM 1335 O THR A 84 -14.389 -6.282 -3.863 1.00 0.00 O ATOM 1336 CB THR A 84 -13.722 -8.436 -1.525 1.00 0.00 C ATOM 1337 OG1 THR A 84 -14.137 -8.167 -0.116 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.607 -9.524 -1.652 1.00 0.00 C ATOM 0 H THR A 84 -14.763 -5.994 -1.413 1.00 0.00 H new ATOM 0 HA THR A 84 -12.016 -7.114 -1.803 1.00 0.00 H new ATOM 0 HB THR A 84 -14.577 -8.791 -2.100 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.552 -8.970 0.262 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.003 -10.489 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.277 -9.588 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.762 -9.255 -1.018 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.458 -7.367 -4.356 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.588 -7.228 -5.822 1.00 0.00 C ATOM 1348 C PHE A 85 -12.178 -8.563 -6.481 1.00 0.00 C ATOM 1349 O PHE A 85 -11.530 -9.362 -5.833 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.714 -6.055 -6.292 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.347 -4.757 -5.867 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.415 -4.223 -6.587 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.903 -4.084 -4.734 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.036 -3.045 -6.183 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.534 -2.917 -4.334 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.597 -2.389 -5.041 1.00 0.00 C ATOM 0 H PHE A 85 -11.629 -7.880 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.616 -7.010 -6.111 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.713 -6.140 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.604 -6.081 -7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.766 -4.732 -7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -11.069 -4.470 -4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.858 -2.642 -6.757 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.186 -2.408 -3.448 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.079 -1.481 -4.711 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.534 -8.800 -7.780 1.00 0.00 N ATOM 1367 CA PRO A 86 -12.143 -10.070 -8.408 1.00 0.00 C ATOM 1368 C PRO A 86 -10.718 -10.042 -8.969 1.00 0.00 C ATOM 1369 O PRO A 86 -10.021 -11.048 -8.931 1.00 0.00 O ATOM 1370 CB PRO A 86 -13.081 -10.161 -9.649 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.861 -8.837 -9.750 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.574 -8.053 -8.478 1.00 0.00 C ATOM 0 HA PRO A 86 -12.204 -10.882 -7.683 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.500 -10.332 -10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.767 -11.002 -9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.550 -8.273 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.929 -9.026 -9.854 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -13.241 -7.041 -8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.470 -7.962 -7.864 1.00 0.00 H new ATOM 1380 N THR A 87 -10.280 -8.840 -9.375 1.00 0.00 N ATOM 1381 CA THR A 87 -8.914 -8.683 -9.868 1.00 0.00 C ATOM 1382 C THR A 87 -8.469 -7.352 -9.324 1.00 0.00 C ATOM 1383 O THR A 87 -9.268 -6.560 -8.835 1.00 0.00 O ATOM 1384 CB THR A 87 -8.724 -8.633 -11.410 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.366 -8.377 -11.902 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.826 -7.773 -12.053 1.00 0.00 C ATOM 0 H THR A 87 -10.839 -7.987 -9.371 1.00 0.00 H new ATOM 0 HA THR A 87 -8.352 -9.561 -9.550 1.00 0.00 H new ATOM 0 HB THR A 87 -8.852 -9.658 -11.759 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.408 -7.803 -12.695 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.682 -7.745 -13.133 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.802 -8.204 -11.828 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.776 -6.760 -11.654 1.00 0.00 H new ATOM 1394 N LEU A 88 -7.155 -7.107 -9.496 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.751 -5.829 -8.981 1.00 0.00 C ATOM 1396 C LEU A 88 -7.217 -4.724 -9.898 1.00 0.00 C ATOM 1397 O LEU A 88 -7.287 -3.616 -9.426 1.00 0.00 O ATOM 1398 CB LEU A 88 -5.236 -5.581 -9.025 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.417 -6.334 -8.000 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -3.003 -5.832 -8.121 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.877 -5.998 -6.593 1.00 0.00 C ATOM 0 H LEU A 88 -6.450 -7.702 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.155 -5.832 -7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.872 -5.844 -10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.057 -4.514 -8.893 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.514 -7.406 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.371 -6.348 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.634 -6.024 -9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.979 -4.760 -7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.275 -6.550 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.762 -4.928 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.925 -6.274 -6.477 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.523 -4.983 -11.180 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.903 -3.798 -11.961 1.00 0.00 C ATOM 1415 C GLN A 89 -9.237 -3.189 -11.505 1.00 0.00 C ATOM 1416 O GLN A 89 -9.423 -1.980 -11.518 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.700 -4.001 -13.452 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.782 -4.806 -14.142 1.00 0.00 C ATOM 1419 CD GLN A 89 -8.213 -5.947 -14.983 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -7.409 -6.732 -14.258 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -8.478 -6.091 -16.168 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.519 -5.887 -11.653 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.200 -2.996 -11.735 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.634 -3.024 -13.931 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.743 -4.498 -13.609 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.461 -5.214 -13.393 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.370 -4.147 -14.780 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.106 -5.435 -16.634 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.071 -6.867 -16.691 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.129 -4.108 -11.076 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.436 -3.678 -10.578 1.00 0.00 C ATOM 1432 C ALA A 90 -11.303 -3.015 -9.182 1.00 0.00 C ATOM 1433 O ALA A 90 -12.173 -2.291 -8.720 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.340 -4.918 -10.450 1.00 0.00 C ATOM 0 H ALA A 90 -9.970 -5.115 -11.067 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.859 -2.952 -11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.320 -4.617 -10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.450 -5.390 -11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.890 -5.626 -9.753 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.145 -3.297 -8.558 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.803 -2.719 -7.273 1.00 0.00 C ATOM 1442 C LEU A 91 -9.349 -1.263 -7.487 1.00 0.00 C ATOM 1443 O LEU A 91 -9.830 -0.345 -6.840 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.780 -3.650 -6.596 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.774 -2.995 -5.637 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.365 -3.905 -4.480 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.501 -2.538 -6.360 1.00 0.00 C ATOM 0 H LEU A 91 -9.436 -3.926 -8.936 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.648 -2.651 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.329 -4.413 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.219 -4.164 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.303 -2.131 -5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.654 -3.383 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.247 -4.173 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.902 -4.809 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.819 -2.081 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.017 -3.398 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.761 -1.810 -7.128 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.511 -1.116 -8.533 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.879 0.147 -8.882 1.00 0.00 C ATOM 1461 C VAL A 92 -8.906 1.143 -9.486 1.00 0.00 C ATOM 1462 O VAL A 92 -8.807 2.337 -9.263 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.713 -0.169 -9.862 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.625 0.874 -9.944 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.879 -1.395 -9.522 1.00 0.00 C ATOM 0 H VAL A 92 -8.260 -1.883 -9.156 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.484 0.638 -7.993 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.305 -0.269 -10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.865 0.552 -10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.053 1.821 -10.274 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.171 1.004 -8.962 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.096 -1.521 -10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.425 -1.265 -8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.518 -2.278 -9.513 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.884 0.581 -10.241 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.958 1.300 -10.929 1.00 0.00 C ATOM 1477 C GLN A 93 -11.858 2.012 -9.894 1.00 0.00 C ATOM 1478 O GLN A 93 -12.251 3.164 -10.037 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.830 0.392 -11.837 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.052 -0.290 -11.193 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.871 -1.065 -12.232 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -13.885 -2.288 -12.269 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.550 -0.271 -13.073 1.00 0.00 N ATOM 0 H GLN A 93 -9.937 -0.427 -10.386 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.474 2.025 -11.583 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.183 0.993 -12.675 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.189 -0.386 -12.250 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.720 -0.970 -10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.682 0.462 -10.718 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.488 0.743 -12.979 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.128 -0.681 -13.806 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.089 1.256 -8.794 1.00 0.00 N ATOM 1493 CA HIS A 94 -12.975 1.768 -7.754 1.00 0.00 C ATOM 1494 C HIS A 94 -12.256 2.908 -7.031 1.00 0.00 C ATOM 1495 O HIS A 94 -12.810 3.989 -6.858 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.362 0.628 -6.803 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.450 1.098 -5.867 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.221 1.681 -4.669 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.838 1.044 -6.076 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.435 1.975 -4.167 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.430 1.604 -4.995 1.00 0.00 N ATOM 0 H HIS A 94 -11.690 0.334 -8.619 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.899 2.159 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.706 -0.234 -7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.491 0.305 -6.232 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.340 0.632 -6.939 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.593 2.453 -3.211 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.431 1.722 -4.839 1.00 0.00 H new ATOM 1509 N TYR A 95 -10.969 2.629 -6.715 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.154 3.664 -6.078 1.00 0.00 C ATOM 1511 C TYR A 95 -9.786 4.777 -7.080 1.00 0.00 C ATOM 1512 O TYR A 95 -9.263 5.807 -6.677 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.870 3.142 -5.438 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.147 2.216 -4.296 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.784 2.625 -3.130 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.737 0.911 -4.406 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.024 1.724 -2.108 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -8.936 0.002 -3.399 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.590 0.407 -2.228 1.00 0.00 C ATOM 1520 OH TYR A 95 -9.797 -0.438 -1.155 1.00 0.00 O ATOM 0 H TYR A 95 -10.500 1.739 -6.884 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.782 4.057 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.276 2.622 -6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.273 3.983 -5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.094 3.654 -3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.243 0.591 -5.312 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.547 2.042 -1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.592 -1.016 -3.507 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.647 -1.365 -1.435 1.00 0.00 H new ATOM 1530 N SER A 96 -10.053 4.526 -8.396 1.00 0.00 N ATOM 1531 CA SER A 96 -9.729 5.592 -9.359 1.00 0.00 C ATOM 1532 C SER A 96 -10.860 6.658 -9.383 1.00 0.00 C ATOM 1533 O SER A 96 -10.693 7.706 -9.996 1.00 0.00 O ATOM 1534 CB SER A 96 -9.605 5.045 -10.820 1.00 0.00 C ATOM 1535 OG SER A 96 -8.207 4.506 -11.010 1.00 0.00 O ATOM 0 H SER A 96 -10.456 3.671 -8.779 1.00 0.00 H new ATOM 0 HA SER A 96 -8.778 6.016 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.341 4.260 -10.995 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.807 5.838 -11.540 1.00 0.00 H new ATOM 0 HG SER A 96 -8.141 3.617 -10.603 1.00 0.00 H new ATOM 1541 N LYS A 97 -11.984 6.365 -8.678 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.096 7.323 -8.683 1.00 0.00 C ATOM 1543 C LYS A 97 -13.253 8.124 -7.387 1.00 0.00 C ATOM 1544 O LYS A 97 -13.829 9.204 -7.375 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.378 6.530 -8.936 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.513 6.155 -10.405 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.426 7.405 -11.279 1.00 0.00 C ATOM 1548 CE LYS A 97 -15.309 7.336 -12.525 1.00 0.00 C ATOM 1549 NZ LYS A 97 -15.230 8.547 -13.334 1.00 0.00 N ATOM 0 H LYS A 97 -12.133 5.518 -8.130 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.888 8.059 -9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.376 5.627 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.241 7.121 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.727 5.453 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.464 5.650 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.713 8.274 -10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.390 7.555 -11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.012 6.479 -13.130 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.344 7.171 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.846 8.449 -14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.539 9.363 -12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.249 8.693 -13.645 1.00 0.00 H new ATOM 1563 N LYS A 98 -12.713 7.540 -6.316 1.00 0.00 N ATOM 1564 CA LYS A 98 -12.765 8.210 -5.025 1.00 0.00 C ATOM 1565 C LYS A 98 -11.622 7.701 -4.131 1.00 0.00 C ATOM 1566 O LYS A 98 -10.759 6.941 -4.545 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.174 8.116 -4.400 1.00 0.00 C ATOM 1568 CG LYS A 98 -14.491 6.794 -3.720 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.540 5.582 -4.648 1.00 0.00 C ATOM 1570 CE LYS A 98 -15.593 5.744 -5.742 1.00 0.00 C ATOM 1571 NZ LYS A 98 -15.835 4.512 -6.489 1.00 0.00 N ATOM 0 H LYS A 98 -12.249 6.632 -6.318 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.598 9.280 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.285 8.918 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.914 8.291 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.742 6.611 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.453 6.885 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.561 5.435 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.757 4.687 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.528 6.079 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.274 6.524 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -16.426 4.720 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.927 4.112 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.324 3.826 -5.879 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.743 8.083 -2.854 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.790 7.739 -1.824 1.00 0.00 C ATOM 1587 C GLY A 99 -11.673 7.328 -0.655 1.00 0.00 C ATOM 1588 O GLY A 99 -11.966 8.092 0.254 1.00 0.00 O ATOM 0 H GLY A 99 -12.522 8.648 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.134 6.927 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.151 8.584 -1.568 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.074 6.052 -0.778 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.012 5.433 0.167 1.00 0.00 C ATOM 1594 C ASP A 100 -12.388 5.145 1.531 1.00 0.00 C ATOM 1595 O ASP A 100 -12.893 5.505 2.587 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.613 4.146 -0.456 1.00 0.00 C ATOM 1597 CG ASP A 100 -14.839 3.572 0.301 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.219 4.097 1.349 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -15.411 2.597 -0.185 1.00 0.00 O ATOM 0 H ASP A 100 -11.762 5.430 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.809 6.154 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.905 4.358 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.837 3.381 -0.496 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.269 4.454 1.395 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.511 4.041 2.567 1.00 0.00 C ATOM 1606 C GLY A 101 -9.047 3.759 2.263 1.00 0.00 C ATOM 1607 O GLY A 101 -8.560 2.650 2.442 1.00 0.00 O ATOM 0 H GLY A 101 -10.869 4.170 0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.574 4.820 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.967 3.146 2.990 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.379 4.868 1.883 1.00 0.00 N ATOM 1612 CA LEU A 102 -6.961 4.859 1.556 1.00 0.00 C ATOM 1613 C LEU A 102 -6.341 6.198 2.034 1.00 0.00 C ATOM 1614 O LEU A 102 -5.994 6.344 3.199 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.712 4.658 0.039 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.216 3.335 -0.559 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.850 3.263 -2.043 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.618 2.124 0.161 1.00 0.00 C ATOM 0 H LEU A 102 -8.817 5.785 1.798 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.490 4.017 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.185 5.480 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.640 4.732 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.299 3.310 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.210 2.323 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.312 4.096 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.767 3.318 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.998 1.208 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.532 2.148 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.897 2.152 1.214 1.00 0.00 H new ATOM 1630 N CYS A 103 -6.228 7.159 1.100 1.00 0.00 N ATOM 1631 CA CYS A 103 -5.651 8.459 1.429 1.00 0.00 C ATOM 1632 C CYS A 103 -5.969 9.457 0.321 1.00 0.00 C ATOM 1633 O CYS A 103 -6.430 10.566 0.558 1.00 0.00 O ATOM 1634 CB CYS A 103 -4.120 8.365 1.569 1.00 0.00 C ATOM 1635 SG CYS A 103 -3.287 7.499 0.205 1.00 0.00 S ATOM 0 H CYS A 103 -6.525 7.056 0.130 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.080 8.786 2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -3.713 9.373 1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -3.884 7.855 2.503 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.097 7.996 0.038 1.00 0.00 H new ATOM 1641 N GLN A 104 -5.648 8.990 -0.898 1.00 0.00 N ATOM 1642 CA GLN A 104 -5.864 9.792 -2.062 1.00 0.00 C ATOM 1643 C GLN A 104 -6.109 8.792 -3.169 1.00 0.00 C ATOM 1644 O GLN A 104 -5.345 7.874 -3.433 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.581 10.604 -2.357 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.324 11.783 -1.394 1.00 0.00 C ATOM 1647 CD GLN A 104 -5.387 12.881 -1.589 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -5.941 13.057 -2.667 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -5.650 13.598 -0.486 1.00 0.00 N ATOM 0 H GLN A 104 -5.245 8.071 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.689 10.495 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.725 9.930 -2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.639 10.991 -3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.343 11.429 -0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.331 12.195 -1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.152 13.400 0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.348 14.341 -0.515 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.174 9.152 -3.870 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.634 8.407 -5.007 1.00 0.00 C ATOM 1660 C LYS A 105 -6.584 8.548 -6.112 1.00 0.00 C ATOM 1661 O LYS A 105 -5.688 9.381 -6.049 1.00 0.00 O ATOM 1662 CB LYS A 105 -8.978 8.952 -5.440 1.00 0.00 C ATOM 1663 CG LYS A 105 -8.988 10.204 -6.311 1.00 0.00 C ATOM 1664 CD LYS A 105 -10.296 10.948 -6.058 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.295 11.561 -4.653 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.987 12.844 -4.616 1.00 0.00 N ATOM 0 H LYS A 105 -7.738 9.974 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.763 7.350 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.501 8.163 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.559 9.163 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.136 10.840 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.900 9.936 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.427 11.732 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.138 10.264 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.772 10.872 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.267 11.694 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.963 13.224 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.517 13.511 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.975 12.714 -4.912 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.798 7.736 -7.138 1.00 0.00 N ATOM 1681 CA LEU A 106 -5.866 7.719 -8.260 1.00 0.00 C ATOM 1682 C LEU A 106 -6.126 8.907 -9.187 1.00 0.00 C ATOM 1683 O LEU A 106 -7.219 9.077 -9.712 1.00 0.00 O ATOM 1684 CB LEU A 106 -5.998 6.415 -9.075 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.088 5.165 -8.189 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -5.734 3.863 -8.910 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.174 5.307 -6.997 1.00 0.00 C ATOM 0 H LEU A 106 -7.587 7.095 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.859 7.782 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.886 6.474 -9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.141 6.321 -9.742 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.133 5.098 -7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.822 3.027 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.416 3.713 -9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.711 3.920 -9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.246 4.415 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.146 5.429 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.469 6.180 -6.414 1.00 0.00 H new ATOM 1699 N THR A 107 -5.042 9.690 -9.366 1.00 0.00 N ATOM 1700 CA THR A 107 -5.136 10.876 -10.212 1.00 0.00 C ATOM 1701 C THR A 107 -4.457 10.595 -11.554 1.00 0.00 C ATOM 1702 O THR A 107 -5.088 10.544 -12.603 1.00 0.00 O ATOM 1703 CB THR A 107 -4.589 12.157 -9.508 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.103 12.212 -9.565 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.324 12.254 -8.126 1.00 0.00 C ATOM 0 H THR A 107 -4.126 9.524 -8.949 1.00 0.00 H new ATOM 0 HA THR A 107 -6.188 11.091 -10.400 1.00 0.00 H new ATOM 0 HB THR A 107 -4.822 13.093 -10.016 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.756 12.556 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.976 13.137 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.399 12.329 -8.290 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.108 11.363 -7.536 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.147 10.367 -11.421 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.296 10.085 -12.559 1.00 0.00 C ATOM 1715 C LEU A 108 -1.323 8.972 -12.179 1.00 0.00 C ATOM 1716 O LEU A 108 -0.326 9.247 -11.537 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.503 11.295 -12.976 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.313 12.358 -13.736 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.082 13.764 -13.173 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -1.980 12.283 -15.234 1.00 0.00 C ATOM 0 H LEU A 108 -2.659 10.375 -10.525 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.931 9.788 -13.394 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.070 11.754 -12.087 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.673 10.971 -13.604 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.374 12.147 -13.602 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.673 14.484 -13.739 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.383 13.791 -12.126 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.025 14.019 -13.253 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.554 13.037 -15.773 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.915 12.466 -15.380 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.234 11.293 -15.614 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.641 7.707 -12.552 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.794 6.551 -12.238 1.00 0.00 C ATOM 1734 C PRO A 109 0.566 6.703 -12.933 1.00 0.00 C ATOM 1735 O PRO A 109 0.743 6.314 -14.077 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.510 5.324 -12.821 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.751 5.876 -13.523 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.762 7.406 -13.389 1.00 0.00 C ATOM 0 HA PRO A 109 -0.632 6.461 -11.164 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.868 4.789 -13.521 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.783 4.618 -12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.747 5.590 -14.575 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.653 5.453 -13.081 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.670 7.889 -14.362 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.693 7.758 -12.945 1.00 0.00 H new ATOM 1746 N CYS A 110 1.468 7.330 -12.158 1.00 0.00 N ATOM 1747 CA CYS A 110 2.872 7.617 -12.489 1.00 0.00 C ATOM 1748 C CYS A 110 3.098 7.828 -14.002 1.00 0.00 C ATOM 1749 O CYS A 110 3.171 6.863 -14.741 1.00 0.00 O ATOM 1750 CB CYS A 110 3.757 6.484 -11.952 1.00 0.00 C ATOM 1751 SG CYS A 110 5.439 6.416 -12.626 1.00 0.00 S ATOM 0 H CYS A 110 1.220 7.670 -11.229 1.00 0.00 H new ATOM 0 HA CYS A 110 3.145 8.558 -12.011 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.823 6.581 -10.868 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.264 5.534 -12.157 1.00 0.00 H new ATOM 0 HG CYS A 110 6.009 5.307 -12.259 1.00 0.00 H new ATOM 1757 N VAL A 111 3.302 9.071 -14.464 1.00 0.00 N ATOM 1758 CA VAL A 111 3.491 9.187 -15.910 1.00 0.00 C ATOM 1759 C VAL A 111 4.900 8.654 -16.221 1.00 0.00 C ATOM 1760 O VAL A 111 5.849 8.878 -15.479 1.00 0.00 O ATOM 1761 CB VAL A 111 3.300 10.654 -16.337 1.00 0.00 C ATOM 1762 CG1 VAL A 111 4.437 11.567 -15.864 1.00 0.00 C ATOM 1763 CG2 VAL A 111 3.107 10.782 -17.854 1.00 0.00 C ATOM 0 H VAL A 111 3.338 9.931 -13.917 1.00 0.00 H new ATOM 0 HA VAL A 111 2.760 8.606 -16.472 1.00 0.00 H new ATOM 0 HB VAL A 111 2.389 10.991 -15.841 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.246 12.588 -16.195 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.494 11.543 -14.776 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.381 11.220 -16.284 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.975 11.832 -18.117 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.984 10.387 -18.367 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.225 10.219 -18.157 1.00 0.00 H new ATOM 1773 N ASN A 112 4.948 7.883 -17.334 1.00 0.00 N ATOM 1774 CA ASN A 112 6.205 7.268 -17.760 1.00 0.00 C ATOM 1775 C ASN A 112 7.298 8.360 -17.906 1.00 0.00 C ATOM 1776 O ASN A 112 7.007 9.542 -18.046 1.00 0.00 O ATOM 1777 CB ASN A 112 5.970 6.585 -19.124 1.00 0.00 C ATOM 1778 CG ASN A 112 6.965 5.442 -19.379 1.00 0.00 C ATOM 1779 OD1 ASN A 112 7.902 5.212 -18.627 1.00 0.00 O ATOM 1780 ND2 ASN A 112 6.673 4.718 -20.467 1.00 0.00 N ATOM 0 H ASN A 112 4.147 7.682 -17.932 1.00 0.00 H new ATOM 0 HA ASN A 112 6.535 6.536 -17.023 1.00 0.00 H new ATOM 0 HB2 ASN A 112 4.953 6.195 -19.163 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.058 7.325 -19.919 1.00 0.00 H new ATOM 0 HD21 ASN A 112 7.250 3.914 -20.715 1.00 0.00 H new ATOM 0 HD22 ASN A 112 5.874 4.970 -21.048 1.00 0.00 H new ATOM 1787 N LEU A 113 8.555 7.888 -17.881 1.00 0.00 N ATOM 1788 CA LEU A 113 9.672 8.815 -17.993 1.00 0.00 C ATOM 1789 C LEU A 113 9.793 9.353 -19.433 1.00 0.00 C ATOM 1790 O LEU A 113 10.062 8.611 -20.370 1.00 0.00 O ATOM 1791 CB LEU A 113 10.959 8.083 -17.581 1.00 0.00 C ATOM 1792 CG LEU A 113 12.097 9.066 -17.269 1.00 0.00 C ATOM 1793 CD1 LEU A 113 11.970 9.629 -15.843 1.00 0.00 C ATOM 1794 CD2 LEU A 113 13.474 8.421 -17.487 1.00 0.00 C ATOM 0 H LEU A 113 8.810 6.905 -17.787 1.00 0.00 H new ATOM 0 HA LEU A 113 9.506 9.668 -17.335 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.762 7.465 -16.705 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.268 7.411 -18.382 1.00 0.00 H new ATOM 0 HG LEU A 113 12.010 9.899 -17.967 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.789 10.322 -15.651 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.020 10.154 -15.742 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.011 8.811 -15.124 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.256 9.145 -17.257 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.578 7.555 -16.833 1.00 0.00 H new ATOM 0 HD23 LEU A 113 13.567 8.105 -18.526 1.00 0.00 H new ATOM 1806 N ALA A 114 9.563 10.680 -19.535 1.00 0.00 N ATOM 1807 CA ALA A 114 9.627 11.355 -20.828 1.00 0.00 C ATOM 1808 C ALA A 114 9.657 12.886 -20.617 1.00 0.00 C ATOM 1809 O ALA A 114 10.706 13.493 -20.831 1.00 0.00 O ATOM 1810 CB ALA A 114 8.429 10.932 -21.696 1.00 0.00 C ATOM 1811 OXT ALA A 114 8.632 13.456 -20.240 1.00 0.00 O ATOM 0 H ALA A 114 9.336 11.287 -18.747 1.00 0.00 H new ATOM 0 HA ALA A 114 10.540 11.067 -21.349 1.00 0.00 H new ATOM 0 HB1 ALA A 114 8.481 11.438 -22.660 1.00 0.00 H new ATOM 0 HB2 ALA A 114 8.455 9.853 -21.851 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.501 11.204 -21.193 1.00 0.00 H new TER 1817 ALA A 114