USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 813 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 33 CYS SG : rot 134:sc= 1.33 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 157:sc= 0.245 (180deg=0) USER MOD Set 2.1: A 13 SER OG : rot -91:sc= 0.496! USER MOD Set 2.2: A 17 GLN : amide:sc= 0.771 K(o=1.3,f=0.58!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -8.01! C(o=-8!,f=-5.2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0818 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.5) USER MOD Single : A 30 CYS SG : rot -86:sc= 0.13 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 43 CYS SG : rot 110:sc= -3.97! USER MOD Single : A 44 SER OG : rot -50:sc= 1.17 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 114:sc= -3.32 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -152:sc= -14.6! (180deg=-18.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -150:sc= -0.0338 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0448 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 72 MET CE :methyl -114:sc= -2.08 (180deg=-6.51!) USER MOD Single : A 74 THR OG1 : rot 137:sc= -0.372 USER MOD Single : A 76 LYS NZ :NH3+ 142:sc= -1.05 (180deg=-3.73!) USER MOD Single : A 78 TYR OH : rot -2:sc= -1.48! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0956 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0825 K(o=-0.083,f=-2!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.99 K(o=-0.99,f=-3.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= -5.15! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.920 9.374 -4.702 1.00 0.00 N ATOM 2 CA SER A 1 6.036 10.202 -3.840 1.00 0.00 C ATOM 3 C SER A 1 4.893 9.378 -3.264 1.00 0.00 C ATOM 4 O SER A 1 3.859 9.211 -3.910 1.00 0.00 O ATOM 5 CB SER A 1 5.467 11.352 -4.678 1.00 0.00 C ATOM 6 OG SER A 1 6.346 12.464 -4.685 1.00 0.00 O ATOM 0 H1 SER A 1 7.689 9.964 -5.079 1.00 0.00 H new ATOM 0 H2 SER A 1 7.323 8.597 -4.141 1.00 0.00 H new ATOM 0 H3 SER A 1 6.367 8.981 -5.490 1.00 0.00 H new ATOM 0 HA SER A 1 6.623 10.589 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.298 11.012 -5.700 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.499 11.653 -4.278 1.00 0.00 H new ATOM 0 HG SER A 1 5.960 13.183 -5.228 1.00 0.00 H new ATOM 11 N VAL A 2 5.061 8.885 -2.037 1.00 0.00 N ATOM 12 CA VAL A 2 4.002 8.111 -1.398 1.00 0.00 C ATOM 13 C VAL A 2 2.731 8.959 -1.413 1.00 0.00 C ATOM 14 O VAL A 2 2.599 9.923 -0.659 1.00 0.00 O ATOM 15 CB VAL A 2 4.375 7.669 0.041 1.00 0.00 C ATOM 16 CG1 VAL A 2 3.515 6.493 0.470 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.850 7.298 0.123 1.00 0.00 C ATOM 0 H VAL A 2 5.904 9.005 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 2 3.847 7.186 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 2 4.191 8.505 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.787 6.193 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.465 6.783 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.675 5.658 -0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.092 6.991 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.057 6.477 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.458 8.161 -0.150 1.00 0.00 H new ATOM 27 N LYS A 3 1.847 8.637 -2.354 1.00 0.00 N ATOM 28 CA LYS A 3 0.630 9.397 -2.584 1.00 0.00 C ATOM 29 C LYS A 3 -0.605 8.774 -1.940 1.00 0.00 C ATOM 30 O LYS A 3 -0.875 7.587 -2.100 1.00 0.00 O ATOM 31 CB LYS A 3 0.445 9.494 -4.090 1.00 0.00 C ATOM 32 CG LYS A 3 -0.624 10.463 -4.505 1.00 0.00 C ATOM 33 CD LYS A 3 -0.040 11.790 -4.961 1.00 0.00 C ATOM 34 CE LYS A 3 -1.132 12.794 -5.293 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.512 13.613 -4.109 1.00 0.00 N ATOM 0 H LYS A 3 1.959 7.838 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 3 0.736 10.378 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.390 9.792 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.200 8.507 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.214 10.029 -5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.304 10.633 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.602 12.194 -4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.588 11.630 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.791 13.450 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.010 12.266 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.259 14.285 -4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.862 12.990 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.681 14.137 -3.768 1.00 0.00 H new ATOM 49 N ILE A 4 -1.365 9.605 -1.227 1.00 0.00 N ATOM 50 CA ILE A 4 -2.588 9.167 -0.570 1.00 0.00 C ATOM 51 C ILE A 4 -3.804 9.513 -1.422 1.00 0.00 C ATOM 52 O ILE A 4 -3.966 10.654 -1.856 1.00 0.00 O ATOM 53 CB ILE A 4 -2.750 9.817 0.820 1.00 0.00 C ATOM 54 CG1 ILE A 4 -1.481 9.628 1.653 1.00 0.00 C ATOM 55 CG2 ILE A 4 -3.958 9.235 1.543 1.00 0.00 C ATOM 56 CD1 ILE A 4 -1.199 10.779 2.594 1.00 0.00 C ATOM 0 H ILE A 4 -1.149 10.593 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.517 8.086 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.913 10.886 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.570 8.709 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.631 9.501 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.057 9.705 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.858 9.423 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.824 8.160 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.285 10.577 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.078 11.697 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.031 10.893 3.289 1.00 0.00 H new ATOM 68 N VAL A 5 -4.654 8.523 -1.660 1.00 0.00 N ATOM 69 CA VAL A 5 -5.854 8.716 -2.463 1.00 0.00 C ATOM 70 C VAL A 5 -7.089 8.820 -1.562 1.00 0.00 C ATOM 71 O VAL A 5 -7.322 7.961 -0.713 1.00 0.00 O ATOM 72 CB VAL A 5 -6.004 7.569 -3.486 1.00 0.00 C ATOM 73 CG1 VAL A 5 -5.784 6.220 -2.821 1.00 0.00 C ATOM 74 CG2 VAL A 5 -7.356 7.608 -4.174 1.00 0.00 C ATOM 0 H VAL A 5 -4.534 7.574 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.762 9.651 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.238 7.709 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.895 5.427 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.781 6.183 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.519 6.081 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.425 6.786 -4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.146 7.510 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.469 8.556 -4.701 1.00 0.00 H new ATOM 84 N THR A 6 -7.852 9.902 -1.728 1.00 0.00 N ATOM 85 CA THR A 6 -9.036 10.145 -0.901 1.00 0.00 C ATOM 86 C THR A 6 -10.344 9.716 -1.568 1.00 0.00 C ATOM 87 O THR A 6 -11.419 9.906 -0.997 1.00 0.00 O ATOM 88 CB THR A 6 -9.144 11.633 -0.523 1.00 0.00 C ATOM 89 OG1 THR A 6 -9.354 12.425 -1.698 1.00 0.00 O ATOM 90 CG2 THR A 6 -7.886 12.102 0.193 1.00 0.00 C ATOM 0 H THR A 6 -7.672 10.623 -2.426 1.00 0.00 H new ATOM 0 HA THR A 6 -8.898 9.531 -0.011 1.00 0.00 H new ATOM 0 HB THR A 6 -9.993 11.753 0.150 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.423 13.370 -1.448 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.985 13.157 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.746 11.518 1.103 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.024 11.968 -0.460 1.00 0.00 H new ATOM 98 N SER A 7 -10.268 9.142 -2.762 1.00 0.00 N ATOM 99 CA SER A 7 -11.476 8.704 -3.461 1.00 0.00 C ATOM 100 C SER A 7 -11.524 7.183 -3.578 1.00 0.00 C ATOM 101 O SER A 7 -10.486 6.521 -3.610 1.00 0.00 O ATOM 102 CB SER A 7 -11.542 9.337 -4.853 1.00 0.00 C ATOM 103 OG SER A 7 -10.661 10.443 -4.954 1.00 0.00 O ATOM 0 H SER A 7 -9.397 8.969 -3.264 1.00 0.00 H new ATOM 0 HA SER A 7 -12.338 9.029 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.284 8.593 -5.607 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.562 9.661 -5.061 1.00 0.00 H new ATOM 0 HG SER A 7 -10.721 10.828 -5.853 1.00 0.00 H new ATOM 109 N GLN A 8 -12.736 6.633 -3.642 1.00 0.00 N ATOM 110 CA GLN A 8 -12.910 5.190 -3.756 1.00 0.00 C ATOM 111 C GLN A 8 -12.520 4.703 -5.151 1.00 0.00 C ATOM 112 O GLN A 8 -11.738 3.763 -5.294 1.00 0.00 O ATOM 113 CB GLN A 8 -14.366 4.816 -3.437 1.00 0.00 C ATOM 114 CG GLN A 8 -14.900 3.634 -4.230 1.00 0.00 C ATOM 115 CD GLN A 8 -13.985 2.422 -4.188 1.00 0.00 C ATOM 116 OE1 GLN A 8 -14.042 1.560 -5.065 1.00 0.00 O ATOM 117 NE2 GLN A 8 -13.134 2.346 -3.169 1.00 0.00 N ATOM 0 H GLN A 8 -13.607 7.164 -3.617 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.253 4.700 -3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.445 4.590 -2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.000 5.682 -3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.879 3.356 -3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.044 3.936 -5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.118 3.081 -2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.498 1.552 -3.094 1.00 0.00 H new ATOM 126 N SER A 9 -13.054 5.356 -6.175 1.00 0.00 N ATOM 127 CA SER A 9 -12.746 4.997 -7.550 1.00 0.00 C ATOM 128 C SER A 9 -11.282 5.280 -7.831 1.00 0.00 C ATOM 129 O SER A 9 -10.616 4.526 -8.536 1.00 0.00 O ATOM 130 CB SER A 9 -13.633 5.776 -8.523 1.00 0.00 C ATOM 131 OG SER A 9 -14.805 6.247 -7.880 1.00 0.00 O ATOM 0 H SER A 9 -13.703 6.137 -6.078 1.00 0.00 H new ATOM 0 HA SER A 9 -12.941 3.934 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.076 6.618 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.907 5.136 -9.362 1.00 0.00 H new ATOM 0 HG SER A 9 -15.354 6.743 -8.523 1.00 0.00 H new ATOM 137 N GLU A 10 -10.783 6.368 -7.255 1.00 0.00 N ATOM 138 CA GLU A 10 -9.390 6.745 -7.424 1.00 0.00 C ATOM 139 C GLU A 10 -8.487 5.654 -6.862 1.00 0.00 C ATOM 140 O GLU A 10 -7.433 5.358 -7.424 1.00 0.00 O ATOM 141 CB GLU A 10 -9.110 8.081 -6.733 1.00 0.00 C ATOM 142 CG GLU A 10 -7.707 8.611 -6.981 1.00 0.00 C ATOM 143 CD GLU A 10 -7.557 9.238 -8.353 1.00 0.00 C ATOM 144 OE1 GLU A 10 -8.122 10.330 -8.572 1.00 0.00 O ATOM 145 OE2 GLU A 10 -6.873 8.638 -9.209 1.00 0.00 O ATOM 0 H GLU A 10 -11.324 7.002 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.182 6.861 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.834 8.818 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.261 7.964 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.461 9.350 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.991 7.796 -6.877 1.00 0.00 H new ATOM 152 N PHE A 11 -8.918 5.041 -5.759 1.00 0.00 N ATOM 153 CA PHE A 11 -8.152 3.966 -5.145 1.00 0.00 C ATOM 154 C PHE A 11 -8.098 2.779 -6.085 1.00 0.00 C ATOM 155 O PHE A 11 -7.026 2.279 -6.411 1.00 0.00 O ATOM 156 CB PHE A 11 -8.807 3.543 -3.825 1.00 0.00 C ATOM 157 CG PHE A 11 -8.400 2.174 -3.364 1.00 0.00 C ATOM 158 CD1 PHE A 11 -7.064 1.856 -3.203 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.355 1.209 -3.099 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.687 0.598 -2.783 1.00 0.00 C ATOM 161 CE2 PHE A 11 -8.984 -0.052 -2.677 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.649 -0.358 -2.519 1.00 0.00 C ATOM 0 H PHE A 11 -9.788 5.271 -5.278 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.141 4.320 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.550 4.268 -3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.890 3.571 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.309 2.600 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.402 1.444 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.641 0.360 -2.660 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.738 -0.797 -2.471 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.356 -1.344 -2.189 1.00 0.00 H new ATOM 172 N ASP A 12 -9.270 2.354 -6.532 1.00 0.00 N ATOM 173 CA ASP A 12 -9.376 1.237 -7.457 1.00 0.00 C ATOM 174 C ASP A 12 -8.748 1.601 -8.793 1.00 0.00 C ATOM 175 O ASP A 12 -8.232 0.743 -9.508 1.00 0.00 O ATOM 176 CB ASP A 12 -10.842 0.873 -7.662 1.00 0.00 C ATOM 177 CG ASP A 12 -11.354 -0.096 -6.614 1.00 0.00 C ATOM 178 OD1 ASP A 12 -11.548 0.330 -5.456 1.00 0.00 O ATOM 179 OD2 ASP A 12 -11.559 -1.281 -6.952 1.00 0.00 O ATOM 0 H ASP A 12 -10.164 2.768 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.847 0.382 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.445 1.781 -7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.968 0.433 -8.651 1.00 0.00 H new ATOM 184 N SER A 13 -8.801 2.887 -9.121 1.00 0.00 N ATOM 185 CA SER A 13 -8.243 3.380 -10.368 1.00 0.00 C ATOM 186 C SER A 13 -6.742 3.188 -10.392 1.00 0.00 C ATOM 187 O SER A 13 -6.180 2.717 -11.381 1.00 0.00 O ATOM 188 CB SER A 13 -8.580 4.859 -10.558 1.00 0.00 C ATOM 189 OG SER A 13 -8.224 5.306 -11.853 1.00 0.00 O ATOM 0 H SER A 13 -9.227 3.606 -8.537 1.00 0.00 H new ATOM 0 HA SER A 13 -8.684 2.810 -11.186 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.647 5.014 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.056 5.453 -9.809 1.00 0.00 H new ATOM 0 HG SER A 13 -7.311 5.662 -11.837 1.00 0.00 H new ATOM 195 N ILE A 14 -6.094 3.539 -9.292 1.00 0.00 N ATOM 196 CA ILE A 14 -4.655 3.383 -9.194 1.00 0.00 C ATOM 197 C ILE A 14 -4.271 1.927 -9.405 1.00 0.00 C ATOM 198 O ILE A 14 -3.237 1.614 -9.994 1.00 0.00 O ATOM 199 CB ILE A 14 -4.141 3.844 -7.817 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.299 5.359 -7.670 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.688 3.431 -7.620 1.00 0.00 C ATOM 202 CD1 ILE A 14 -4.919 5.774 -6.355 1.00 0.00 C ATOM 0 H ILE A 14 -6.539 3.931 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.199 4.002 -9.967 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.738 3.359 -7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.321 5.830 -7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.915 5.734 -8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.344 3.766 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.607 2.346 -7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.072 3.885 -8.396 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.001 6.860 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.911 5.332 -6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.292 5.430 -5.532 1.00 0.00 H new ATOM 214 N ILE A 15 -5.115 1.052 -8.892 1.00 0.00 N ATOM 215 CA ILE A 15 -4.889 -0.386 -8.981 1.00 0.00 C ATOM 216 C ILE A 15 -4.892 -0.893 -10.431 1.00 0.00 C ATOM 217 O ILE A 15 -4.103 -1.764 -10.796 1.00 0.00 O ATOM 218 CB ILE A 15 -5.964 -1.157 -8.186 1.00 0.00 C ATOM 219 CG1 ILE A 15 -6.180 -0.505 -6.834 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.551 -2.604 -7.979 1.00 0.00 C ATOM 221 CD1 ILE A 15 -4.946 -0.526 -5.979 1.00 0.00 C ATOM 0 H ILE A 15 -5.972 1.311 -8.404 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.902 -0.567 -8.556 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.890 -1.131 -8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.499 0.527 -6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.988 -1.018 -6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.325 -3.126 -7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.418 -3.087 -8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.613 -2.639 -7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.157 -0.046 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.640 -1.558 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.144 0.011 -6.485 1.00 0.00 H new ATOM 233 N SER A 16 -5.818 -0.371 -11.234 1.00 0.00 N ATOM 234 CA SER A 16 -5.984 -0.798 -12.634 1.00 0.00 C ATOM 235 C SER A 16 -5.122 -0.036 -13.654 1.00 0.00 C ATOM 236 O SER A 16 -4.874 -0.539 -14.749 1.00 0.00 O ATOM 237 CB SER A 16 -7.457 -0.674 -13.030 1.00 0.00 C ATOM 238 OG SER A 16 -8.068 -1.949 -13.128 1.00 0.00 O ATOM 0 H SER A 16 -6.473 0.354 -10.941 1.00 0.00 H new ATOM 0 HA SER A 16 -5.639 -1.831 -12.668 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.985 -0.070 -12.293 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.538 -0.154 -13.985 1.00 0.00 H new ATOM 0 HG SER A 16 -9.009 -1.842 -13.381 1.00 0.00 H new ATOM 244 N GLN A 17 -4.713 1.182 -13.328 1.00 0.00 N ATOM 245 CA GLN A 17 -3.933 2.006 -14.269 1.00 0.00 C ATOM 246 C GLN A 17 -2.436 1.709 -14.228 1.00 0.00 C ATOM 247 O GLN A 17 -1.632 2.464 -14.774 1.00 0.00 O ATOM 248 CB GLN A 17 -4.162 3.492 -13.988 1.00 0.00 C ATOM 249 CG GLN A 17 -5.321 4.078 -14.773 1.00 0.00 C ATOM 250 CD GLN A 17 -6.382 4.693 -13.886 1.00 0.00 C ATOM 251 OE1 GLN A 17 -6.090 5.544 -13.046 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.624 4.262 -14.072 1.00 0.00 N ATOM 0 H GLN A 17 -4.901 1.627 -12.430 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.288 1.750 -15.267 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.347 3.629 -12.923 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.253 4.044 -14.227 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.943 4.837 -15.458 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.773 3.295 -15.382 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.818 3.555 -14.781 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.385 4.638 -13.506 1.00 0.00 H new ATOM 261 N ASN A 18 -2.069 0.619 -13.584 1.00 0.00 N ATOM 262 CA ASN A 18 -0.672 0.229 -13.473 1.00 0.00 C ATOM 263 C ASN A 18 -0.540 -1.288 -13.396 1.00 0.00 C ATOM 264 O ASN A 18 -1.436 -1.972 -12.901 1.00 0.00 O ATOM 265 CB ASN A 18 -0.050 0.887 -12.242 1.00 0.00 C ATOM 266 CG ASN A 18 -0.293 2.383 -12.203 1.00 0.00 C ATOM 267 OD1 ASN A 18 0.573 3.174 -12.577 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.476 2.779 -11.748 1.00 0.00 N ATOM 0 H ASN A 18 -2.721 -0.018 -13.126 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.140 0.567 -14.362 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.462 0.431 -11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.023 0.695 -12.234 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.696 3.774 -11.698 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.164 2.089 -11.448 1.00 0.00 H new ATOM 275 N GLU A 19 0.581 -1.811 -13.880 1.00 0.00 N ATOM 276 CA GLU A 19 0.820 -3.250 -13.852 1.00 0.00 C ATOM 277 C GLU A 19 1.007 -3.732 -12.427 1.00 0.00 C ATOM 278 O GLU A 19 0.442 -4.750 -12.036 1.00 0.00 O ATOM 279 CB GLU A 19 2.042 -3.610 -14.698 1.00 0.00 C ATOM 280 CG GLU A 19 1.943 -4.975 -15.360 1.00 0.00 C ATOM 281 CD GLU A 19 3.124 -5.270 -16.264 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.220 -5.551 -15.736 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.952 -5.221 -17.501 1.00 0.00 O ATOM 0 H GLU A 19 1.335 -1.264 -14.295 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.053 -3.748 -14.275 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.177 -2.851 -15.468 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.930 -3.585 -14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.878 -5.744 -14.591 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.023 -5.027 -15.942 1.00 0.00 H new ATOM 290 N LEU A 20 1.786 -2.996 -11.643 1.00 0.00 N ATOM 291 CA LEU A 20 2.010 -3.368 -10.263 1.00 0.00 C ATOM 292 C LEU A 20 1.727 -2.181 -9.369 1.00 0.00 C ATOM 293 O LEU A 20 2.236 -1.085 -9.604 1.00 0.00 O ATOM 294 CB LEU A 20 3.448 -3.842 -10.071 1.00 0.00 C ATOM 295 CG LEU A 20 3.691 -4.957 -9.036 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.401 -5.598 -8.542 1.00 0.00 C ATOM 297 CD2 LEU A 20 4.611 -6.018 -9.622 1.00 0.00 C ATOM 0 H LEU A 20 2.266 -2.147 -11.941 1.00 0.00 H new ATOM 0 HA LEU A 20 1.339 -4.185 -9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.821 -4.189 -11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.052 -2.980 -9.787 1.00 0.00 H new ATOM 0 HG LEU A 20 4.164 -4.491 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.636 -6.376 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.775 -4.840 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.867 -6.038 -9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.778 -6.803 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.150 -6.448 -10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.565 -5.564 -9.891 1.00 0.00 H new ATOM 309 N VAL A 21 0.914 -2.389 -8.348 1.00 0.00 N ATOM 310 CA VAL A 21 0.583 -1.301 -7.445 1.00 0.00 C ATOM 311 C VAL A 21 0.657 -1.738 -5.998 1.00 0.00 C ATOM 312 O VAL A 21 -0.041 -2.658 -5.580 1.00 0.00 O ATOM 313 CB VAL A 21 -0.824 -0.717 -7.725 1.00 0.00 C ATOM 314 CG1 VAL A 21 -1.084 0.504 -6.853 1.00 0.00 C ATOM 315 CG2 VAL A 21 -0.973 -0.373 -9.198 1.00 0.00 C ATOM 0 H VAL A 21 0.478 -3.284 -8.126 1.00 0.00 H new ATOM 0 HA VAL A 21 1.326 -0.524 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.567 -1.474 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.078 0.898 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.024 0.220 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.337 1.269 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.967 0.036 -9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.221 0.365 -9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.838 -1.273 -9.797 1.00 0.00 H new ATOM 325 N ILE A 22 1.479 -1.048 -5.221 1.00 0.00 N ATOM 326 CA ILE A 22 1.595 -1.362 -3.808 1.00 0.00 C ATOM 327 C ILE A 22 1.031 -0.212 -3.002 1.00 0.00 C ATOM 328 O ILE A 22 1.400 0.947 -3.192 1.00 0.00 O ATOM 329 CB ILE A 22 3.045 -1.667 -3.369 1.00 0.00 C ATOM 330 CG1 ILE A 22 3.134 -1.790 -1.844 1.00 0.00 C ATOM 331 CG2 ILE A 22 4.012 -0.607 -3.874 1.00 0.00 C ATOM 332 CD1 ILE A 22 3.950 -2.976 -1.380 1.00 0.00 C ATOM 0 H ILE A 22 2.067 -0.278 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 22 1.026 -2.274 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 22 3.331 -2.620 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.571 -0.878 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.127 -1.870 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.023 -0.852 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.980 -0.575 -4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.727 0.366 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.970 -3.000 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.501 -3.896 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.968 -2.888 -1.760 1.00 0.00 H new ATOM 344 N VAL A 23 0.098 -0.547 -2.133 1.00 0.00 N ATOM 345 CA VAL A 23 -0.576 0.444 -1.318 1.00 0.00 C ATOM 346 C VAL A 23 -0.640 0.015 0.134 1.00 0.00 C ATOM 347 O VAL A 23 -0.843 -1.160 0.441 1.00 0.00 O ATOM 348 CB VAL A 23 -2.008 0.684 -1.836 1.00 0.00 C ATOM 349 CG1 VAL A 23 -2.804 -0.611 -1.816 1.00 0.00 C ATOM 350 CG2 VAL A 23 -2.713 1.764 -1.026 1.00 0.00 C ATOM 0 H VAL A 23 -0.212 -1.505 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.000 1.367 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.941 1.033 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.813 -0.424 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.316 -1.348 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.855 -0.991 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.721 1.911 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.768 1.458 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.155 2.698 -1.101 1.00 0.00 H new ATOM 360 N ASP A 24 -0.479 0.979 1.023 1.00 0.00 N ATOM 361 CA ASP A 24 -0.533 0.704 2.443 1.00 0.00 C ATOM 362 C ASP A 24 -1.884 1.070 3.014 1.00 0.00 C ATOM 363 O ASP A 24 -2.174 2.244 3.236 1.00 0.00 O ATOM 364 CB ASP A 24 0.545 1.472 3.206 1.00 0.00 C ATOM 365 CG ASP A 24 0.685 2.913 2.755 1.00 0.00 C ATOM 366 OD1 ASP A 24 0.096 3.275 1.717 1.00 0.00 O ATOM 367 OD2 ASP A 24 1.389 3.681 3.443 1.00 0.00 O ATOM 0 H ASP A 24 -0.310 1.956 0.785 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.360 -0.366 2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.311 1.452 4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.501 0.964 3.080 1.00 0.00 H new ATOM 372 N PHE A 25 -2.689 0.063 3.300 1.00 0.00 N ATOM 373 CA PHE A 25 -3.977 0.307 3.905 1.00 0.00 C ATOM 374 C PHE A 25 -3.708 0.509 5.384 1.00 0.00 C ATOM 375 O PHE A 25 -3.204 -0.382 6.068 1.00 0.00 O ATOM 376 CB PHE A 25 -4.919 -0.877 3.638 1.00 0.00 C ATOM 377 CG PHE A 25 -5.082 -1.200 2.166 1.00 0.00 C ATOM 378 CD1 PHE A 25 -5.095 -0.191 1.210 1.00 0.00 C ATOM 379 CD2 PHE A 25 -5.212 -2.514 1.735 1.00 0.00 C ATOM 380 CE1 PHE A 25 -5.232 -0.484 -0.135 1.00 0.00 C ATOM 381 CE2 PHE A 25 -5.352 -2.813 0.386 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.361 -1.796 -0.553 1.00 0.00 C ATOM 0 H PHE A 25 -2.474 -0.918 3.124 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.473 1.184 3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.538 -1.758 4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.898 -0.656 4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.997 0.838 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.204 -3.315 2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.238 0.315 -0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.454 -3.840 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.468 -2.025 -1.603 1.00 0.00 H new ATOM 392 N PHE A 26 -3.965 1.721 5.844 1.00 0.00 N ATOM 393 CA PHE A 26 -3.665 2.094 7.220 1.00 0.00 C ATOM 394 C PHE A 26 -4.681 3.058 7.830 1.00 0.00 C ATOM 395 O PHE A 26 -5.558 3.595 7.151 1.00 0.00 O ATOM 396 CB PHE A 26 -2.285 2.768 7.251 1.00 0.00 C ATOM 397 CG PHE A 26 -2.287 4.154 6.649 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.712 4.361 5.342 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.884 5.249 7.395 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.733 5.630 4.794 1.00 0.00 C ATOM 401 CE2 PHE A 26 -1.906 6.521 6.852 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.331 6.711 5.551 1.00 0.00 C ATOM 0 H PHE A 26 -4.381 2.466 5.286 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.696 1.178 7.811 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.940 2.827 8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.571 2.145 6.712 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.030 3.518 4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.549 5.108 8.412 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.063 5.775 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.591 7.366 7.445 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.348 7.704 5.127 1.00 0.00 H new ATOM 412 N ALA A 27 -4.499 3.288 9.128 1.00 0.00 N ATOM 413 CA ALA A 27 -5.328 4.208 9.905 1.00 0.00 C ATOM 414 C ALA A 27 -4.491 5.409 10.368 1.00 0.00 C ATOM 415 O ALA A 27 -3.299 5.274 10.635 1.00 0.00 O ATOM 416 CB ALA A 27 -5.937 3.487 11.101 1.00 0.00 C ATOM 0 H ALA A 27 -3.766 2.837 9.676 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.138 4.572 9.274 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.552 4.183 11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.555 2.660 10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.141 3.101 11.737 1.00 0.00 H new ATOM 422 N GLU A 28 -5.107 6.587 10.432 1.00 0.00 N ATOM 423 CA GLU A 28 -4.404 7.803 10.835 1.00 0.00 C ATOM 424 C GLU A 28 -4.093 7.823 12.334 1.00 0.00 C ATOM 425 O GLU A 28 -3.181 8.523 12.772 1.00 0.00 O ATOM 426 CB GLU A 28 -5.237 9.032 10.468 1.00 0.00 C ATOM 427 CG GLU A 28 -4.408 10.285 10.247 1.00 0.00 C ATOM 428 CD GLU A 28 -5.056 11.523 10.837 1.00 0.00 C ATOM 429 OE1 GLU A 28 -6.293 11.522 11.005 1.00 0.00 O ATOM 430 OE2 GLU A 28 -4.325 12.492 11.133 1.00 0.00 O ATOM 0 H GLU A 28 -6.093 6.726 10.210 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.454 7.821 10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.805 8.818 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.960 9.220 11.261 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.423 10.148 10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.257 10.433 9.178 1.00 0.00 H new ATOM 437 N TRP A 29 -4.839 7.049 13.120 1.00 0.00 N ATOM 438 CA TRP A 29 -4.622 6.999 14.574 1.00 0.00 C ATOM 439 C TRP A 29 -3.533 5.989 14.933 1.00 0.00 C ATOM 440 O TRP A 29 -3.444 5.541 16.074 1.00 0.00 O ATOM 441 CB TRP A 29 -5.924 6.620 15.294 1.00 0.00 C ATOM 442 CG TRP A 29 -6.551 5.359 14.776 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.596 5.264 13.899 1.00 0.00 C ATOM 444 CD2 TRP A 29 -6.173 4.011 15.093 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.888 3.940 13.652 1.00 0.00 N ATOM 446 CE2 TRP A 29 -7.028 3.156 14.367 1.00 0.00 C ATOM 447 CE3 TRP A 29 -5.195 3.439 15.915 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -6.931 1.770 14.435 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.103 2.061 15.982 1.00 0.00 C ATOM 450 CH2 TRP A 29 -5.965 1.241 15.243 1.00 0.00 C ATOM 0 H TRP A 29 -5.594 6.451 12.783 1.00 0.00 H new ATOM 0 HA TRP A 29 -4.301 7.990 14.897 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.720 6.504 16.359 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.637 7.438 15.193 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.117 6.104 13.463 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.626 3.601 13.035 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.524 4.063 16.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.596 1.135 13.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.354 1.609 16.615 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.864 0.168 15.313 1.00 0.00 H new ATOM 461 N CYS A 30 -2.718 5.620 13.949 1.00 0.00 N ATOM 462 CA CYS A 30 -1.660 4.634 14.147 1.00 0.00 C ATOM 463 C CYS A 30 -0.262 5.242 14.020 1.00 0.00 C ATOM 464 O CYS A 30 -0.056 6.222 13.305 1.00 0.00 O ATOM 465 CB CYS A 30 -1.847 3.481 13.150 1.00 0.00 C ATOM 466 SG CYS A 30 -1.063 3.732 11.536 1.00 0.00 S ATOM 0 H CYS A 30 -2.771 5.992 13.001 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.739 4.256 15.166 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.448 2.569 13.593 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.914 3.321 12.998 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.869 4.394 10.760 1.00 0.00 H new ATOM 472 N GLY A 31 0.684 4.654 14.747 1.00 0.00 N ATOM 473 CA GLY A 31 2.057 5.116 14.732 1.00 0.00 C ATOM 474 C GLY A 31 2.916 4.452 13.654 1.00 0.00 C ATOM 475 O GLY A 31 3.857 5.076 13.165 1.00 0.00 O ATOM 0 H GLY A 31 0.517 3.852 15.355 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.067 6.195 14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.505 4.929 15.708 1.00 0.00 H new ATOM 479 N PRO A 32 2.655 3.175 13.270 1.00 0.00 N ATOM 480 CA PRO A 32 3.464 2.476 12.251 1.00 0.00 C ATOM 481 C PRO A 32 3.542 3.239 10.938 1.00 0.00 C ATOM 482 O PRO A 32 4.557 3.182 10.251 1.00 0.00 O ATOM 483 CB PRO A 32 2.728 1.141 12.052 1.00 0.00 C ATOM 484 CG PRO A 32 1.380 1.356 12.649 1.00 0.00 C ATOM 485 CD PRO A 32 1.604 2.289 13.796 1.00 0.00 C ATOM 0 HA PRO A 32 4.499 2.363 12.573 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.656 0.883 10.995 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.253 0.323 12.545 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.691 1.785 11.921 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.944 0.416 12.986 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.700 2.839 14.057 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.927 1.762 14.694 1.00 0.00 H new ATOM 493 N CYS A 33 2.487 3.968 10.589 1.00 0.00 N ATOM 494 CA CYS A 33 2.495 4.738 9.353 1.00 0.00 C ATOM 495 C CYS A 33 3.692 5.686 9.345 1.00 0.00 C ATOM 496 O CYS A 33 4.402 5.806 8.347 1.00 0.00 O ATOM 497 CB CYS A 33 1.193 5.531 9.212 1.00 0.00 C ATOM 498 SG CYS A 33 1.130 6.601 7.755 1.00 0.00 S ATOM 0 H CYS A 33 1.629 4.041 11.135 1.00 0.00 H new ATOM 0 HA CYS A 33 2.576 4.053 8.509 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.358 4.832 9.172 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.055 6.142 10.104 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.018 6.458 7.161 1.00 0.00 H new ATOM 504 N LYS A 34 3.917 6.337 10.483 1.00 0.00 N ATOM 505 CA LYS A 34 5.036 7.258 10.640 1.00 0.00 C ATOM 506 C LYS A 34 6.366 6.509 10.636 1.00 0.00 C ATOM 507 O LYS A 34 7.339 6.953 10.032 1.00 0.00 O ATOM 508 CB LYS A 34 4.894 8.050 11.942 1.00 0.00 C ATOM 509 CG LYS A 34 5.833 9.242 12.034 1.00 0.00 C ATOM 510 CD LYS A 34 6.357 9.430 13.449 1.00 0.00 C ATOM 511 CE LYS A 34 7.818 9.848 13.452 1.00 0.00 C ATOM 512 NZ LYS A 34 8.538 9.347 14.656 1.00 0.00 N ATOM 0 H LYS A 34 3.334 6.242 11.315 1.00 0.00 H new ATOM 0 HA LYS A 34 5.024 7.948 9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.866 8.400 12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.081 7.385 12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.670 9.101 11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.310 10.144 11.716 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.761 10.185 13.961 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.242 8.501 14.007 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.306 9.469 12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.884 10.935 13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.531 9.654 14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.089 9.729 15.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.497 8.308 14.678 1.00 0.00 H new ATOM 526 N ARG A 35 6.399 5.382 11.343 1.00 0.00 N ATOM 527 CA ARG A 35 7.603 4.568 11.463 1.00 0.00 C ATOM 528 C ARG A 35 7.906 3.783 10.188 1.00 0.00 C ATOM 529 O ARG A 35 9.062 3.458 9.915 1.00 0.00 O ATOM 530 CB ARG A 35 7.451 3.601 12.635 1.00 0.00 C ATOM 531 CG ARG A 35 7.131 4.286 13.954 1.00 0.00 C ATOM 532 CD ARG A 35 8.388 4.543 14.769 1.00 0.00 C ATOM 533 NE ARG A 35 8.101 4.656 16.197 1.00 0.00 N ATOM 534 CZ ARG A 35 9.035 4.829 17.129 1.00 0.00 C ATOM 535 NH1 ARG A 35 10.316 4.908 16.789 1.00 0.00 N ATOM 536 NH2 ARG A 35 8.688 4.922 18.405 1.00 0.00 N ATOM 0 H ARG A 35 5.594 5.009 11.847 1.00 0.00 H new ATOM 0 HA ARG A 35 8.439 5.246 11.635 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.660 2.887 12.405 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.373 3.031 12.746 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.622 5.230 13.760 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.444 3.666 14.530 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.098 3.733 14.605 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.864 5.460 14.421 1.00 0.00 H new ATOM 0 HE ARG A 35 7.128 4.599 16.497 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.589 4.836 15.809 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.027 5.041 17.508 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.705 4.861 18.672 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.404 5.055 19.120 1.00 0.00 H new ATOM 550 N ILE A 36 6.872 3.464 9.416 1.00 0.00 N ATOM 551 CA ILE A 36 7.057 2.700 8.187 1.00 0.00 C ATOM 552 C ILE A 36 7.223 3.616 6.976 1.00 0.00 C ATOM 553 O ILE A 36 7.720 3.193 5.936 1.00 0.00 O ATOM 554 CB ILE A 36 5.886 1.716 7.942 1.00 0.00 C ATOM 555 CG1 ILE A 36 6.255 0.683 6.875 1.00 0.00 C ATOM 556 CG2 ILE A 36 4.618 2.452 7.541 1.00 0.00 C ATOM 557 CD1 ILE A 36 7.071 -0.469 7.399 1.00 0.00 C ATOM 0 H ILE A 36 5.905 3.720 9.617 1.00 0.00 H new ATOM 0 HA ILE A 36 7.973 2.123 8.315 1.00 0.00 H new ATOM 0 HB ILE A 36 5.696 1.196 8.881 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.340 0.294 6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.812 1.179 6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.816 1.732 7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.330 3.141 8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.797 3.012 6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.293 -1.158 6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.003 -0.093 7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.508 -0.991 8.173 1.00 0.00 H new ATOM 569 N ALA A 37 6.809 4.871 7.124 1.00 0.00 N ATOM 570 CA ALA A 37 6.910 5.851 6.047 1.00 0.00 C ATOM 571 C ALA A 37 8.363 6.114 5.624 1.00 0.00 C ATOM 572 O ALA A 37 8.672 6.107 4.432 1.00 0.00 O ATOM 573 CB ALA A 37 6.245 7.154 6.465 1.00 0.00 C ATOM 0 H ALA A 37 6.398 5.235 7.984 1.00 0.00 H new ATOM 0 HA ALA A 37 6.394 5.433 5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.325 7.879 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.193 6.971 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.739 7.546 7.354 1.00 0.00 H new ATOM 579 N PRO A 38 9.276 6.369 6.587 1.00 0.00 N ATOM 580 CA PRO A 38 10.687 6.654 6.286 1.00 0.00 C ATOM 581 C PRO A 38 11.330 5.588 5.407 1.00 0.00 C ATOM 582 O PRO A 38 12.062 5.907 4.470 1.00 0.00 O ATOM 583 CB PRO A 38 11.364 6.688 7.666 1.00 0.00 C ATOM 584 CG PRO A 38 10.362 6.127 8.619 1.00 0.00 C ATOM 585 CD PRO A 38 9.015 6.424 8.030 1.00 0.00 C ATOM 0 HA PRO A 38 10.791 7.583 5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.280 6.097 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.640 7.706 7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.504 5.054 8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.465 6.581 9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.269 5.690 8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.645 7.402 8.338 1.00 0.00 H new ATOM 593 N PHE A 39 11.046 4.325 5.697 1.00 0.00 N ATOM 594 CA PHE A 39 11.595 3.230 4.908 1.00 0.00 C ATOM 595 C PHE A 39 10.847 3.124 3.595 1.00 0.00 C ATOM 596 O PHE A 39 11.426 2.848 2.545 1.00 0.00 O ATOM 597 CB PHE A 39 11.496 1.915 5.664 1.00 0.00 C ATOM 598 CG PHE A 39 12.077 0.764 4.899 1.00 0.00 C ATOM 599 CD1 PHE A 39 13.449 0.613 4.784 1.00 0.00 C ATOM 600 CD2 PHE A 39 11.250 -0.153 4.275 1.00 0.00 C ATOM 601 CE1 PHE A 39 13.984 -0.434 4.060 1.00 0.00 C ATOM 602 CE2 PHE A 39 11.779 -1.202 3.554 1.00 0.00 C ATOM 603 CZ PHE A 39 13.147 -1.343 3.445 1.00 0.00 C ATOM 0 H PHE A 39 10.443 4.035 6.467 1.00 0.00 H new ATOM 0 HA PHE A 39 12.648 3.436 4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 39 12.013 2.010 6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.450 1.707 5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 39 14.107 1.321 5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.178 -0.046 4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 39 15.055 -0.541 3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 39 11.123 -1.913 3.075 1.00 0.00 H new ATOM 0 HZ PHE A 39 13.563 -2.164 2.879 1.00 0.00 H new ATOM 613 N TYR A 40 9.550 3.366 3.676 1.00 0.00 N ATOM 614 CA TYR A 40 8.684 3.327 2.514 1.00 0.00 C ATOM 615 C TYR A 40 9.151 4.366 1.503 1.00 0.00 C ATOM 616 O TYR A 40 9.085 4.149 0.293 1.00 0.00 O ATOM 617 CB TYR A 40 7.241 3.615 2.942 1.00 0.00 C ATOM 618 CG TYR A 40 6.179 2.776 2.254 1.00 0.00 C ATOM 619 CD1 TYR A 40 6.494 1.589 1.596 1.00 0.00 C ATOM 620 CD2 TYR A 40 4.848 3.171 2.284 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.513 0.830 0.988 1.00 0.00 C ATOM 622 CE2 TYR A 40 3.863 2.414 1.681 1.00 0.00 C ATOM 623 CZ TYR A 40 4.200 1.246 1.033 1.00 0.00 C ATOM 624 OH TYR A 40 3.221 0.489 0.431 1.00 0.00 O ATOM 0 H TYR A 40 9.070 3.594 4.547 1.00 0.00 H new ATOM 0 HA TYR A 40 8.725 2.339 2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.161 3.461 4.018 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.027 4.667 2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.521 1.257 1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.578 4.087 2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.774 -0.086 0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.833 2.736 1.717 1.00 0.00 H new ATOM 0 HH TYR A 40 2.350 0.921 0.555 1.00 0.00 H new ATOM 634 N GLU A 41 9.641 5.492 2.016 1.00 0.00 N ATOM 635 CA GLU A 41 10.143 6.563 1.161 1.00 0.00 C ATOM 636 C GLU A 41 11.359 6.074 0.375 1.00 0.00 C ATOM 637 O GLU A 41 11.481 6.329 -0.823 1.00 0.00 O ATOM 638 CB GLU A 41 10.491 7.802 2.003 1.00 0.00 C ATOM 639 CG GLU A 41 11.982 8.015 2.230 1.00 0.00 C ATOM 640 CD GLU A 41 12.269 9.168 3.172 1.00 0.00 C ATOM 641 OE1 GLU A 41 11.587 10.209 3.061 1.00 0.00 O ATOM 642 OE2 GLU A 41 13.175 9.030 4.020 1.00 0.00 O ATOM 0 H GLU A 41 9.701 5.686 3.016 1.00 0.00 H new ATOM 0 HA GLU A 41 9.366 6.847 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.082 8.685 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.998 7.717 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.418 7.102 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.468 8.203 1.273 1.00 0.00 H new ATOM 649 N GLU A 42 12.248 5.354 1.056 1.00 0.00 N ATOM 650 CA GLU A 42 13.442 4.812 0.417 1.00 0.00 C ATOM 651 C GLU A 42 13.038 3.791 -0.643 1.00 0.00 C ATOM 652 O GLU A 42 13.590 3.756 -1.742 1.00 0.00 O ATOM 653 CB GLU A 42 14.353 4.157 1.457 1.00 0.00 C ATOM 654 CG GLU A 42 14.914 5.135 2.476 1.00 0.00 C ATOM 655 CD GLU A 42 15.556 4.440 3.659 1.00 0.00 C ATOM 656 OE1 GLU A 42 14.900 3.564 4.261 1.00 0.00 O ATOM 657 OE2 GLU A 42 16.716 4.770 3.984 1.00 0.00 O ATOM 0 H GLU A 42 12.163 5.133 2.048 1.00 0.00 H new ATOM 0 HA GLU A 42 13.989 5.626 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.794 3.381 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.180 3.664 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.651 5.775 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.113 5.783 2.831 1.00 0.00 H new ATOM 664 N CYS A 43 12.053 2.972 -0.294 1.00 0.00 N ATOM 665 CA CYS A 43 11.523 1.950 -1.173 1.00 0.00 C ATOM 666 C CYS A 43 10.946 2.573 -2.444 1.00 0.00 C ATOM 667 O CYS A 43 10.984 1.977 -3.515 1.00 0.00 O ATOM 668 CB CYS A 43 10.443 1.183 -0.397 1.00 0.00 C ATOM 669 SG CYS A 43 11.108 0.032 0.821 1.00 0.00 S ATOM 0 H CYS A 43 11.598 3.003 0.619 1.00 0.00 H new ATOM 0 HA CYS A 43 12.316 1.270 -1.484 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.794 1.898 0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.822 0.632 -1.104 1.00 0.00 H new ATOM 0 HG CYS A 43 10.857 0.473 2.018 1.00 0.00 H new ATOM 675 N SER A 44 10.393 3.769 -2.308 1.00 0.00 N ATOM 676 CA SER A 44 9.774 4.469 -3.430 1.00 0.00 C ATOM 677 C SER A 44 10.768 4.957 -4.499 1.00 0.00 C ATOM 678 O SER A 44 10.390 5.098 -5.662 1.00 0.00 O ATOM 679 CB SER A 44 8.971 5.656 -2.902 1.00 0.00 C ATOM 680 OG SER A 44 9.808 6.772 -2.665 1.00 0.00 O ATOM 0 H SER A 44 10.359 4.280 -1.426 1.00 0.00 H new ATOM 0 HA SER A 44 9.131 3.742 -3.926 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.197 5.924 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.465 5.375 -1.979 1.00 0.00 H new ATOM 0 HG SER A 44 10.580 6.494 -2.130 1.00 0.00 H new ATOM 686 N LYS A 45 12.012 5.255 -4.121 1.00 0.00 N ATOM 687 CA LYS A 45 12.984 5.770 -5.101 1.00 0.00 C ATOM 688 C LYS A 45 13.760 4.673 -5.849 1.00 0.00 C ATOM 689 O LYS A 45 14.256 4.915 -6.950 1.00 0.00 O ATOM 690 CB LYS A 45 13.971 6.764 -4.458 1.00 0.00 C ATOM 691 CG LYS A 45 14.296 6.510 -2.991 1.00 0.00 C ATOM 692 CD LYS A 45 15.593 7.199 -2.587 1.00 0.00 C ATOM 693 CE LYS A 45 15.379 8.190 -1.453 1.00 0.00 C ATOM 694 NZ LYS A 45 16.602 8.995 -1.179 1.00 0.00 N ATOM 0 H LYS A 45 12.369 5.154 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 45 12.379 6.291 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.901 6.745 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.560 7.769 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.479 6.872 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.381 5.438 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.322 6.449 -2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.012 7.718 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.555 8.857 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.089 7.652 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.414 9.658 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.383 8.361 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.864 9.529 -2.032 1.00 0.00 H new ATOM 708 N THR A 46 13.865 3.480 -5.275 1.00 0.00 N ATOM 709 CA THR A 46 14.581 2.379 -5.924 1.00 0.00 C ATOM 710 C THR A 46 13.594 1.443 -6.616 1.00 0.00 C ATOM 711 O THR A 46 13.873 0.866 -7.667 1.00 0.00 O ATOM 712 CB THR A 46 15.424 1.593 -4.891 1.00 0.00 C ATOM 713 OG1 THR A 46 16.691 2.234 -4.709 1.00 0.00 O ATOM 714 CG2 THR A 46 15.646 0.148 -5.319 1.00 0.00 C ATOM 0 H THR A 46 13.467 3.247 -4.365 1.00 0.00 H new ATOM 0 HA THR A 46 15.253 2.800 -6.672 1.00 0.00 H new ATOM 0 HB THR A 46 14.869 1.585 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.220 1.733 -4.053 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.242 -0.367 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.683 -0.352 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 46 16.172 0.128 -6.274 1.00 0.00 H new ATOM 722 N TYR A 47 12.444 1.310 -5.985 1.00 0.00 N ATOM 723 CA TYR A 47 11.354 0.467 -6.445 1.00 0.00 C ATOM 724 C TYR A 47 10.419 1.212 -7.403 1.00 0.00 C ATOM 725 O TYR A 47 9.268 0.815 -7.582 1.00 0.00 O ATOM 726 CB TYR A 47 10.568 -0.094 -5.266 1.00 0.00 C ATOM 727 CG TYR A 47 11.409 -0.915 -4.313 1.00 0.00 C ATOM 728 CD1 TYR A 47 12.237 -1.933 -4.768 1.00 0.00 C ATOM 729 CD2 TYR A 47 11.365 -0.670 -2.956 1.00 0.00 C ATOM 730 CE1 TYR A 47 12.997 -2.680 -3.884 1.00 0.00 C ATOM 731 CE2 TYR A 47 12.116 -1.405 -2.063 1.00 0.00 C ATOM 732 CZ TYR A 47 12.930 -2.413 -2.532 1.00 0.00 C ATOM 733 OH TYR A 47 13.683 -3.151 -1.648 1.00 0.00 O ATOM 0 H TYR A 47 12.235 1.798 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 47 11.799 -0.361 -6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.113 0.731 -4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.754 -0.712 -5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.289 -2.145 -5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.726 0.117 -2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.639 -3.467 -4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.067 -1.192 -1.005 1.00 0.00 H new ATOM 0 HH TYR A 47 14.356 -2.574 -1.231 1.00 0.00 H new ATOM 743 N THR A 48 10.873 2.349 -7.931 1.00 0.00 N ATOM 744 CA THR A 48 10.027 3.208 -8.764 1.00 0.00 C ATOM 745 C THR A 48 9.358 2.483 -9.938 1.00 0.00 C ATOM 746 O THR A 48 8.504 3.068 -10.605 1.00 0.00 O ATOM 747 CB THR A 48 10.842 4.385 -9.331 1.00 0.00 C ATOM 748 OG1 THR A 48 11.929 3.893 -10.124 1.00 0.00 O ATOM 749 CG2 THR A 48 11.383 5.259 -8.209 1.00 0.00 C ATOM 0 H THR A 48 11.822 2.698 -7.797 1.00 0.00 H new ATOM 0 HA THR A 48 9.237 3.555 -8.098 1.00 0.00 H new ATOM 0 HB THR A 48 10.181 4.987 -9.954 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.441 4.648 -10.482 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.955 6.084 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.553 5.656 -7.625 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.029 4.664 -7.563 1.00 0.00 H new ATOM 757 N LYS A 49 9.667 1.207 -10.159 1.00 0.00 N ATOM 758 CA LYS A 49 8.990 0.455 -11.212 1.00 0.00 C ATOM 759 C LYS A 49 7.603 0.015 -10.704 1.00 0.00 C ATOM 760 O LYS A 49 6.801 -0.558 -11.443 1.00 0.00 O ATOM 761 CB LYS A 49 9.810 -0.767 -11.642 1.00 0.00 C ATOM 762 CG LYS A 49 11.303 -0.657 -11.355 1.00 0.00 C ATOM 763 CD LYS A 49 11.722 -1.557 -10.201 1.00 0.00 C ATOM 764 CE LYS A 49 12.709 -2.621 -10.655 1.00 0.00 C ATOM 765 NZ LYS A 49 12.071 -3.628 -11.547 1.00 0.00 N ATOM 0 H LYS A 49 10.367 0.681 -9.635 1.00 0.00 H new ATOM 0 HA LYS A 49 8.878 1.098 -12.085 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.419 -1.649 -11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.669 -0.926 -12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.866 -0.925 -12.249 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.553 0.377 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.172 -0.954 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.841 -2.035 -9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.539 -2.146 -11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.128 -3.123 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.778 -4.335 -11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.296 -4.100 -11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.693 -3.154 -12.392 1.00 0.00 H new ATOM 779 N MET A 50 7.349 0.312 -9.425 1.00 0.00 N ATOM 780 CA MET A 50 6.096 0.000 -8.733 1.00 0.00 C ATOM 781 C MET A 50 5.465 1.294 -8.270 1.00 0.00 C ATOM 782 O MET A 50 6.157 2.262 -7.954 1.00 0.00 O ATOM 783 CB MET A 50 6.407 -0.904 -7.534 1.00 0.00 C ATOM 784 CG MET A 50 5.223 -1.669 -6.976 1.00 0.00 C ATOM 785 SD MET A 50 5.687 -3.309 -6.404 1.00 0.00 S ATOM 786 CE MET A 50 6.432 -3.954 -7.897 1.00 0.00 C ATOM 0 H MET A 50 8.026 0.788 -8.829 1.00 0.00 H new ATOM 0 HA MET A 50 5.404 -0.517 -9.398 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.175 -1.619 -7.829 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.831 -0.291 -6.738 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.786 -1.108 -6.150 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.454 -1.757 -7.744 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.327 -5.039 -7.917 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.934 -3.525 -8.767 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.490 -3.692 -7.918 1.00 0.00 H new ATOM 796 N VAL A 51 4.153 1.313 -8.261 1.00 0.00 N ATOM 797 CA VAL A 51 3.417 2.498 -7.873 1.00 0.00 C ATOM 798 C VAL A 51 3.054 2.458 -6.389 1.00 0.00 C ATOM 799 O VAL A 51 2.518 1.465 -5.896 1.00 0.00 O ATOM 800 CB VAL A 51 2.160 2.649 -8.758 1.00 0.00 C ATOM 801 CG1 VAL A 51 0.879 2.585 -7.953 1.00 0.00 C ATOM 802 CG2 VAL A 51 2.228 3.935 -9.546 1.00 0.00 C ATOM 0 H VAL A 51 3.569 0.518 -8.519 1.00 0.00 H new ATOM 0 HA VAL A 51 4.052 3.371 -8.025 1.00 0.00 H new ATOM 0 HB VAL A 51 2.145 1.806 -9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.024 2.696 -8.620 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.818 1.624 -7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.871 3.389 -7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.336 4.030 -10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.284 4.780 -8.860 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.113 3.925 -10.182 1.00 0.00 H new ATOM 812 N PHE A 52 3.380 3.533 -5.675 1.00 0.00 N ATOM 813 CA PHE A 52 3.109 3.598 -4.245 1.00 0.00 C ATOM 814 C PHE A 52 1.992 4.577 -3.909 1.00 0.00 C ATOM 815 O PHE A 52 2.110 5.779 -4.147 1.00 0.00 O ATOM 816 CB PHE A 52 4.373 4.003 -3.487 1.00 0.00 C ATOM 817 CG PHE A 52 5.429 2.942 -3.478 1.00 0.00 C ATOM 818 CD1 PHE A 52 6.035 2.570 -4.657 1.00 0.00 C ATOM 819 CD2 PHE A 52 5.814 2.319 -2.302 1.00 0.00 C ATOM 820 CE1 PHE A 52 7.011 1.594 -4.678 1.00 0.00 C ATOM 821 CE2 PHE A 52 6.791 1.340 -2.311 1.00 0.00 C ATOM 822 CZ PHE A 52 7.390 0.977 -3.503 1.00 0.00 C ATOM 0 H PHE A 52 3.829 4.364 -6.061 1.00 0.00 H new ATOM 0 HA PHE A 52 2.787 2.603 -3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.782 4.908 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.108 4.249 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.742 3.049 -5.580 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.347 2.600 -1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.477 1.314 -5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.085 0.860 -1.389 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.153 0.212 -3.515 1.00 0.00 H new ATOM 832 N ILE A 53 0.923 4.055 -3.319 1.00 0.00 N ATOM 833 CA ILE A 53 -0.205 4.890 -2.908 1.00 0.00 C ATOM 834 C ILE A 53 -0.638 4.545 -1.481 1.00 0.00 C ATOM 835 O ILE A 53 -0.321 3.474 -0.967 1.00 0.00 O ATOM 836 CB ILE A 53 -1.410 4.751 -3.861 1.00 0.00 C ATOM 837 CG1 ILE A 53 -1.869 3.296 -3.956 1.00 0.00 C ATOM 838 CG2 ILE A 53 -1.057 5.291 -5.239 1.00 0.00 C ATOM 839 CD1 ILE A 53 -3.334 3.104 -3.631 1.00 0.00 C ATOM 0 H ILE A 53 0.811 3.062 -3.114 1.00 0.00 H new ATOM 0 HA ILE A 53 0.137 5.924 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.235 5.337 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.677 2.928 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.271 2.689 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.916 5.187 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.786 6.344 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.215 4.730 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.591 2.048 -3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.528 3.442 -2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.940 3.684 -4.327 1.00 0.00 H new ATOM 851 N LYS A 54 -1.364 5.461 -0.849 1.00 0.00 N ATOM 852 CA LYS A 54 -1.852 5.265 0.518 1.00 0.00 C ATOM 853 C LYS A 54 -3.362 5.423 0.543 1.00 0.00 C ATOM 854 O LYS A 54 -3.900 6.405 0.031 1.00 0.00 O ATOM 855 CB LYS A 54 -1.235 6.296 1.482 1.00 0.00 C ATOM 856 CG LYS A 54 0.179 5.982 1.945 1.00 0.00 C ATOM 857 CD LYS A 54 0.954 7.254 2.257 1.00 0.00 C ATOM 858 CE LYS A 54 1.891 7.062 3.437 1.00 0.00 C ATOM 859 NZ LYS A 54 1.193 7.256 4.737 1.00 0.00 N ATOM 0 H LYS A 54 -1.631 6.354 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.564 4.264 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.233 7.271 0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.877 6.380 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.141 5.350 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.700 5.417 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.528 7.555 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.256 8.062 2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.320 6.060 3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.719 7.766 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.713 6.758 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.150 8.271 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.228 6.875 4.673 1.00 0.00 H new ATOM 873 N VAL A 55 -4.043 4.463 1.141 1.00 0.00 N ATOM 874 CA VAL A 55 -5.489 4.518 1.227 1.00 0.00 C ATOM 875 C VAL A 55 -5.949 4.273 2.658 1.00 0.00 C ATOM 876 O VAL A 55 -5.785 3.180 3.201 1.00 0.00 O ATOM 877 CB VAL A 55 -6.132 3.484 0.277 1.00 0.00 C ATOM 878 CG1 VAL A 55 -7.649 3.454 0.421 1.00 0.00 C ATOM 879 CG2 VAL A 55 -5.735 3.768 -1.164 1.00 0.00 C ATOM 0 H VAL A 55 -3.620 3.641 1.572 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.809 5.514 0.923 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.758 2.499 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.065 2.715 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.912 3.189 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.056 4.437 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.196 3.030 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.073 4.766 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.651 3.712 -1.261 1.00 0.00 H new ATOM 889 N ASP A 56 -6.534 5.303 3.254 1.00 0.00 N ATOM 890 CA ASP A 56 -7.035 5.220 4.618 1.00 0.00 C ATOM 891 C ASP A 56 -8.372 4.479 4.616 1.00 0.00 C ATOM 892 O ASP A 56 -9.139 4.576 3.659 1.00 0.00 O ATOM 893 CB ASP A 56 -7.158 6.635 5.220 1.00 0.00 C ATOM 894 CG ASP A 56 -8.313 6.782 6.192 1.00 0.00 C ATOM 895 OD1 ASP A 56 -8.381 5.990 7.154 1.00 0.00 O ATOM 896 OD2 ASP A 56 -9.144 7.693 5.996 1.00 0.00 O ATOM 0 H ASP A 56 -6.674 6.211 2.811 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.339 4.661 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.229 6.885 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.280 7.356 4.411 1.00 0.00 H new ATOM 901 N VAL A 57 -8.634 3.716 5.671 1.00 0.00 N ATOM 902 CA VAL A 57 -9.865 2.940 5.756 1.00 0.00 C ATOM 903 C VAL A 57 -11.009 3.747 6.365 1.00 0.00 C ATOM 904 O VAL A 57 -12.178 3.395 6.207 1.00 0.00 O ATOM 905 CB VAL A 57 -9.659 1.657 6.584 1.00 0.00 C ATOM 906 CG1 VAL A 57 -8.642 0.744 5.913 1.00 0.00 C ATOM 907 CG2 VAL A 57 -9.225 1.996 8.002 1.00 0.00 C ATOM 0 H VAL A 57 -8.014 3.618 6.475 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.132 2.674 4.733 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.610 1.128 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.510 -0.157 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.999 0.470 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.688 1.264 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.085 1.076 8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.287 2.550 7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.992 2.605 8.481 1.00 0.00 H new ATOM 917 N ASP A 58 -10.670 4.821 7.068 1.00 0.00 N ATOM 918 CA ASP A 58 -11.675 5.664 7.706 1.00 0.00 C ATOM 919 C ASP A 58 -12.402 6.541 6.690 1.00 0.00 C ATOM 920 O ASP A 58 -13.590 6.826 6.842 1.00 0.00 O ATOM 921 CB ASP A 58 -11.038 6.550 8.778 1.00 0.00 C ATOM 922 CG ASP A 58 -9.975 5.828 9.587 1.00 0.00 C ATOM 923 OD1 ASP A 58 -10.312 4.823 10.247 1.00 0.00 O ATOM 924 OD2 ASP A 58 -8.807 6.271 9.564 1.00 0.00 O ATOM 0 H ASP A 58 -9.708 5.129 7.211 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.402 4.998 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.594 7.424 8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.815 6.913 9.451 1.00 0.00 H new ATOM 929 N GLU A 59 -11.681 6.982 5.664 1.00 0.00 N ATOM 930 CA GLU A 59 -12.263 7.843 4.640 1.00 0.00 C ATOM 931 C GLU A 59 -13.194 7.062 3.719 1.00 0.00 C ATOM 932 O GLU A 59 -14.244 7.564 3.318 1.00 0.00 O ATOM 933 CB GLU A 59 -11.162 8.516 3.816 1.00 0.00 C ATOM 934 CG GLU A 59 -11.201 10.035 3.876 1.00 0.00 C ATOM 935 CD GLU A 59 -11.482 10.666 2.526 1.00 0.00 C ATOM 936 OE1 GLU A 59 -10.871 10.230 1.528 1.00 0.00 O ATOM 937 OE2 GLU A 59 -12.313 11.597 2.467 1.00 0.00 O ATOM 0 H GLU A 59 -10.696 6.758 5.520 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.849 8.608 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.191 8.171 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.252 8.199 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.968 10.347 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.248 10.404 4.254 1.00 0.00 H new ATOM 944 N VAL A 60 -12.804 5.840 3.378 1.00 0.00 N ATOM 945 CA VAL A 60 -13.615 5.013 2.495 1.00 0.00 C ATOM 946 C VAL A 60 -13.658 3.563 2.963 1.00 0.00 C ATOM 947 O VAL A 60 -12.877 2.729 2.505 1.00 0.00 O ATOM 948 CB VAL A 60 -13.093 5.057 1.045 1.00 0.00 C ATOM 949 CG1 VAL A 60 -13.698 6.234 0.296 1.00 0.00 C ATOM 950 CG2 VAL A 60 -11.572 5.126 1.021 1.00 0.00 C ATOM 0 H VAL A 60 -11.939 5.403 3.696 1.00 0.00 H new ATOM 0 HA VAL A 60 -14.623 5.426 2.527 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.398 4.139 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -13.318 6.249 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.783 6.135 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.427 7.163 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.225 5.156 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.240 6.024 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.160 4.247 1.516 1.00 0.00 H new ATOM 960 N SER A 61 -14.586 3.266 3.868 1.00 0.00 N ATOM 961 CA SER A 61 -14.741 1.910 4.385 1.00 0.00 C ATOM 962 C SER A 61 -15.001 0.938 3.241 1.00 0.00 C ATOM 963 O SER A 61 -14.608 -0.227 3.297 1.00 0.00 O ATOM 964 CB SER A 61 -15.888 1.852 5.395 1.00 0.00 C ATOM 965 OG SER A 61 -15.588 0.963 6.457 1.00 0.00 O ATOM 0 H SER A 61 -15.241 3.944 4.258 1.00 0.00 H new ATOM 0 HA SER A 61 -13.818 1.623 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.077 2.849 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.801 1.531 4.895 1.00 0.00 H new ATOM 0 HG SER A 61 -16.336 0.945 7.090 1.00 0.00 H new ATOM 971 N GLU A 62 -15.661 1.433 2.198 1.00 0.00 N ATOM 972 CA GLU A 62 -15.972 0.622 1.028 1.00 0.00 C ATOM 973 C GLU A 62 -14.707 0.016 0.442 1.00 0.00 C ATOM 974 O GLU A 62 -14.719 -1.095 -0.089 1.00 0.00 O ATOM 975 CB GLU A 62 -16.683 1.471 -0.023 1.00 0.00 C ATOM 976 CG GLU A 62 -15.854 2.621 -0.576 1.00 0.00 C ATOM 977 CD GLU A 62 -16.649 3.503 -1.517 1.00 0.00 C ATOM 978 OE1 GLU A 62 -17.449 2.959 -2.307 1.00 0.00 O ATOM 979 OE2 GLU A 62 -16.473 4.738 -1.465 1.00 0.00 O ATOM 0 H GLU A 62 -15.991 2.396 2.141 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.631 -0.190 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.983 0.827 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.596 1.876 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.476 3.223 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.987 2.221 -1.102 1.00 0.00 H new ATOM 986 N VAL A 63 -13.616 0.753 0.563 1.00 0.00 N ATOM 987 CA VAL A 63 -12.324 0.297 0.068 1.00 0.00 C ATOM 988 C VAL A 63 -11.901 -0.957 0.823 1.00 0.00 C ATOM 989 O VAL A 63 -11.320 -1.880 0.252 1.00 0.00 O ATOM 990 CB VAL A 63 -11.236 1.389 0.228 1.00 0.00 C ATOM 991 CG1 VAL A 63 -9.841 0.809 0.031 1.00 0.00 C ATOM 992 CG2 VAL A 63 -11.479 2.541 -0.741 1.00 0.00 C ATOM 0 H VAL A 63 -13.597 1.674 1.001 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.429 0.077 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.300 1.775 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.099 1.598 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.663 0.030 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.762 0.383 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.703 3.296 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.453 2.167 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.454 2.985 -0.541 1.00 0.00 H new ATOM 1002 N THR A 64 -12.211 -0.978 2.112 1.00 0.00 N ATOM 1003 CA THR A 64 -11.886 -2.109 2.967 1.00 0.00 C ATOM 1004 C THR A 64 -12.720 -3.328 2.585 1.00 0.00 C ATOM 1005 O THR A 64 -12.222 -4.454 2.566 1.00 0.00 O ATOM 1006 CB THR A 64 -12.130 -1.759 4.450 1.00 0.00 C ATOM 1007 OG1 THR A 64 -11.170 -0.790 4.886 1.00 0.00 O ATOM 1008 CG2 THR A 64 -12.046 -2.995 5.339 1.00 0.00 C ATOM 0 H THR A 64 -12.692 -0.216 2.591 1.00 0.00 H new ATOM 0 HA THR A 64 -10.830 -2.342 2.827 1.00 0.00 H new ATOM 0 HB THR A 64 -13.136 -1.348 4.534 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.995 -0.910 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.223 -2.710 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.799 -3.719 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.055 -3.441 5.249 1.00 0.00 H new ATOM 1016 N GLU A 65 -13.993 -3.093 2.285 1.00 0.00 N ATOM 1017 CA GLU A 65 -14.899 -4.171 1.905 1.00 0.00 C ATOM 1018 C GLU A 65 -14.535 -4.731 0.534 1.00 0.00 C ATOM 1019 O GLU A 65 -14.582 -5.941 0.314 1.00 0.00 O ATOM 1020 CB GLU A 65 -16.346 -3.671 1.902 1.00 0.00 C ATOM 1021 CG GLU A 65 -17.275 -4.497 2.775 1.00 0.00 C ATOM 1022 CD GLU A 65 -18.581 -3.787 3.076 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -18.652 -2.558 2.863 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -19.533 -4.460 3.524 1.00 0.00 O ATOM 0 H GLU A 65 -14.420 -2.167 2.298 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.801 -4.971 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.365 -2.636 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.722 -3.676 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.487 -5.444 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.771 -4.734 3.712 1.00 0.00 H new ATOM 1031 N LYS A 66 -14.174 -3.841 -0.384 1.00 0.00 N ATOM 1032 CA LYS A 66 -13.802 -4.245 -1.734 1.00 0.00 C ATOM 1033 C LYS A 66 -12.546 -5.109 -1.719 1.00 0.00 C ATOM 1034 O LYS A 66 -12.419 -6.051 -2.501 1.00 0.00 O ATOM 1035 CB LYS A 66 -13.578 -3.014 -2.613 1.00 0.00 C ATOM 1036 CG LYS A 66 -14.800 -2.116 -2.724 1.00 0.00 C ATOM 1037 CD LYS A 66 -15.551 -2.354 -4.024 1.00 0.00 C ATOM 1038 CE LYS A 66 -15.045 -1.446 -5.132 1.00 0.00 C ATOM 1039 NZ LYS A 66 -16.140 -1.023 -6.049 1.00 0.00 N ATOM 0 H LYS A 66 -14.131 -2.836 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.620 -4.835 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.747 -2.435 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.284 -3.339 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.465 -2.299 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.492 -1.072 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.438 -3.395 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.616 -2.181 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.578 -0.564 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.274 -1.964 -5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.753 -0.405 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.569 -1.863 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.864 -0.506 -5.510 1.00 0.00 H new ATOM 1053 N GLU A 67 -11.617 -4.780 -0.827 1.00 0.00 N ATOM 1054 CA GLU A 67 -10.368 -5.527 -0.715 1.00 0.00 C ATOM 1055 C GLU A 67 -10.430 -6.567 0.405 1.00 0.00 C ATOM 1056 O GLU A 67 -9.453 -7.272 0.656 1.00 0.00 O ATOM 1057 CB GLU A 67 -9.201 -4.569 -0.469 1.00 0.00 C ATOM 1058 CG GLU A 67 -8.750 -3.824 -1.716 1.00 0.00 C ATOM 1059 CD GLU A 67 -8.481 -4.750 -2.886 1.00 0.00 C ATOM 1060 OE1 GLU A 67 -7.984 -5.872 -2.653 1.00 0.00 O ATOM 1061 OE2 GLU A 67 -8.764 -4.353 -4.036 1.00 0.00 O ATOM 0 H GLU A 67 -11.705 -4.003 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.214 -6.055 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.491 -3.844 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.358 -5.132 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.515 -3.101 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.846 -3.259 -1.490 1.00 0.00 H new ATOM 1068 N ASN A 68 -11.577 -6.663 1.074 1.00 0.00 N ATOM 1069 CA ASN A 68 -11.745 -7.624 2.160 1.00 0.00 C ATOM 1070 C ASN A 68 -10.695 -7.409 3.247 1.00 0.00 C ATOM 1071 O ASN A 68 -10.112 -8.365 3.760 1.00 0.00 O ATOM 1072 CB ASN A 68 -11.655 -9.054 1.621 1.00 0.00 C ATOM 1073 CG ASN A 68 -12.477 -10.033 2.436 1.00 0.00 C ATOM 1074 OD1 ASN A 68 -12.022 -10.542 3.460 1.00 0.00 O ATOM 1075 ND2 ASN A 68 -13.696 -10.302 1.984 1.00 0.00 N ATOM 0 H ASN A 68 -12.399 -6.090 0.884 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.731 -7.470 2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.996 -9.071 0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.613 -9.373 1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.295 -10.954 2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.033 -9.857 1.130 1.00 0.00 H new ATOM 1082 N ILE A 69 -10.460 -6.148 3.594 1.00 0.00 N ATOM 1083 CA ILE A 69 -9.480 -5.809 4.622 1.00 0.00 C ATOM 1084 C ILE A 69 -10.078 -5.988 6.014 1.00 0.00 C ATOM 1085 O ILE A 69 -11.060 -5.333 6.365 1.00 0.00 O ATOM 1086 CB ILE A 69 -8.968 -4.360 4.470 1.00 0.00 C ATOM 1087 CG1 ILE A 69 -8.594 -4.056 3.016 1.00 0.00 C ATOM 1088 CG2 ILE A 69 -7.771 -4.135 5.373 1.00 0.00 C ATOM 1089 CD1 ILE A 69 -7.610 -5.042 2.431 1.00 0.00 C ATOM 0 H ILE A 69 -10.933 -5.345 3.180 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.637 -6.488 4.495 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.771 -3.683 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.499 -4.054 2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.170 -3.054 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.417 -3.110 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.060 -4.306 6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.974 -4.827 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.389 -4.767 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.690 -5.028 3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -8.040 -6.043 2.456 1.00 0.00 H new ATOM 1101 N THR A 70 -9.500 -6.897 6.797 1.00 0.00 N ATOM 1102 CA THR A 70 -10.003 -7.174 8.136 1.00 0.00 C ATOM 1103 C THR A 70 -9.073 -6.665 9.238 1.00 0.00 C ATOM 1104 O THR A 70 -9.538 -6.187 10.273 1.00 0.00 O ATOM 1105 CB THR A 70 -10.225 -8.684 8.336 1.00 0.00 C ATOM 1106 OG1 THR A 70 -8.985 -9.327 8.657 1.00 0.00 O ATOM 1107 CG2 THR A 70 -10.821 -9.320 7.087 1.00 0.00 C ATOM 0 H THR A 70 -8.687 -7.451 6.527 1.00 0.00 H new ATOM 0 HA THR A 70 -10.949 -6.639 8.216 1.00 0.00 H new ATOM 0 HB THR A 70 -10.927 -8.814 9.160 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.137 -10.287 8.784 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.967 -10.387 7.256 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.780 -8.853 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.143 -9.176 6.246 1.00 0.00 H new ATOM 1115 N SER A 71 -7.763 -6.786 9.031 1.00 0.00 N ATOM 1116 CA SER A 71 -6.795 -6.351 10.038 1.00 0.00 C ATOM 1117 C SER A 71 -5.895 -5.231 9.522 1.00 0.00 C ATOM 1118 O SER A 71 -6.044 -4.767 8.392 1.00 0.00 O ATOM 1119 CB SER A 71 -5.938 -7.534 10.490 1.00 0.00 C ATOM 1120 OG SER A 71 -5.181 -7.206 11.642 1.00 0.00 O ATOM 0 H SER A 71 -7.350 -7.177 8.185 1.00 0.00 H new ATOM 0 HA SER A 71 -7.360 -5.960 10.884 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.578 -8.390 10.704 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.268 -7.831 9.683 1.00 0.00 H new ATOM 0 HG SER A 71 -4.643 -7.980 11.911 1.00 0.00 H new ATOM 1126 N MET A 72 -4.960 -4.803 10.370 1.00 0.00 N ATOM 1127 CA MET A 72 -4.029 -3.735 10.017 1.00 0.00 C ATOM 1128 C MET A 72 -2.814 -3.733 10.948 1.00 0.00 C ATOM 1129 O MET A 72 -2.880 -4.244 12.066 1.00 0.00 O ATOM 1130 CB MET A 72 -4.745 -2.372 10.071 1.00 0.00 C ATOM 1131 CG MET A 72 -4.568 -1.602 11.377 1.00 0.00 C ATOM 1132 SD MET A 72 -5.583 -2.263 12.714 1.00 0.00 S ATOM 1133 CE MET A 72 -4.323 -2.828 13.855 1.00 0.00 C ATOM 0 H MET A 72 -4.828 -5.181 11.308 1.00 0.00 H new ATOM 0 HA MET A 72 -3.675 -3.912 9.002 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.381 -1.754 9.250 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.810 -2.531 9.902 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.519 -1.632 11.673 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.824 -0.555 11.215 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.364 -3.914 13.934 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.341 -2.528 13.490 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.496 -2.386 14.836 1.00 0.00 H new ATOM 1143 N PRO A 73 -1.692 -3.130 10.511 1.00 0.00 N ATOM 1144 CA PRO A 73 -1.570 -2.512 9.187 1.00 0.00 C ATOM 1145 C PRO A 73 -1.352 -3.553 8.094 1.00 0.00 C ATOM 1146 O PRO A 73 -0.557 -4.477 8.264 1.00 0.00 O ATOM 1147 CB PRO A 73 -0.338 -1.621 9.340 1.00 0.00 C ATOM 1148 CG PRO A 73 0.514 -2.351 10.317 1.00 0.00 C ATOM 1149 CD PRO A 73 -0.433 -3.031 11.274 1.00 0.00 C ATOM 0 HA PRO A 73 -2.469 -1.971 8.890 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.175 -1.482 8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.605 -0.630 9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.148 -3.080 9.812 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.176 -1.665 10.846 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.066 -4.014 11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.563 -2.451 12.188 1.00 0.00 H new ATOM 1157 N THR A 74 -2.049 -3.408 6.973 1.00 0.00 N ATOM 1158 CA THR A 74 -1.902 -4.352 5.875 1.00 0.00 C ATOM 1159 C THR A 74 -1.343 -3.682 4.623 1.00 0.00 C ATOM 1160 O THR A 74 -1.839 -2.644 4.183 1.00 0.00 O ATOM 1161 CB THR A 74 -3.244 -5.018 5.530 1.00 0.00 C ATOM 1162 OG1 THR A 74 -4.130 -4.943 6.651 1.00 0.00 O ATOM 1163 CG2 THR A 74 -3.040 -6.474 5.138 1.00 0.00 C ATOM 0 H THR A 74 -2.714 -2.654 6.802 1.00 0.00 H new ATOM 0 HA THR A 74 -1.197 -5.112 6.212 1.00 0.00 H new ATOM 0 HB THR A 74 -3.681 -4.487 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.026 -4.690 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.003 -6.925 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.387 -6.528 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.583 -7.014 5.968 1.00 0.00 H new ATOM 1171 N PHE A 75 -0.323 -4.306 4.041 1.00 0.00 N ATOM 1172 CA PHE A 75 0.306 -3.805 2.819 1.00 0.00 C ATOM 1173 C PHE A 75 0.036 -4.787 1.686 1.00 0.00 C ATOM 1174 O PHE A 75 0.478 -5.935 1.738 1.00 0.00 O ATOM 1175 CB PHE A 75 1.824 -3.631 3.007 1.00 0.00 C ATOM 1176 CG PHE A 75 2.227 -2.392 3.776 1.00 0.00 C ATOM 1177 CD1 PHE A 75 1.276 -1.614 4.422 1.00 0.00 C ATOM 1178 CD2 PHE A 75 3.564 -2.006 3.856 1.00 0.00 C ATOM 1179 CE1 PHE A 75 1.643 -0.486 5.127 1.00 0.00 C ATOM 1180 CE2 PHE A 75 3.930 -0.877 4.560 1.00 0.00 C ATOM 1181 CZ PHE A 75 2.969 -0.117 5.196 1.00 0.00 C ATOM 0 H PHE A 75 0.090 -5.167 4.399 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.117 -2.829 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.215 -4.507 3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.297 -3.603 2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.235 -1.895 4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.321 -2.597 3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.891 0.108 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.969 -0.588 4.613 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.256 0.766 5.747 1.00 0.00 H new ATOM 1191 N LYS A 76 -0.707 -4.352 0.673 1.00 0.00 N ATOM 1192 CA LYS A 76 -1.036 -5.233 -0.441 1.00 0.00 C ATOM 1193 C LYS A 76 -0.411 -4.777 -1.740 1.00 0.00 C ATOM 1194 O LYS A 76 -0.413 -3.592 -2.075 1.00 0.00 O ATOM 1195 CB LYS A 76 -2.551 -5.338 -0.639 1.00 0.00 C ATOM 1196 CG LYS A 76 -3.148 -6.579 -0.029 1.00 0.00 C ATOM 1197 CD LYS A 76 -2.966 -6.549 1.469 1.00 0.00 C ATOM 1198 CE LYS A 76 -4.167 -5.910 2.158 1.00 0.00 C ATOM 1199 NZ LYS A 76 -5.181 -6.924 2.561 1.00 0.00 N ATOM 0 H LYS A 76 -1.088 -3.409 0.600 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.628 -6.209 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.029 -4.461 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.773 -5.324 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.208 -6.643 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.670 -7.466 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.827 -7.564 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.062 -5.992 1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.831 -5.362 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.626 -5.184 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.588 -6.661 3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.936 -6.963 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.728 -7.857 2.636 1.00 0.00 H new ATOM 1213 N VAL A 77 0.067 -5.749 -2.491 1.00 0.00 N ATOM 1214 CA VAL A 77 0.641 -5.485 -3.799 1.00 0.00 C ATOM 1215 C VAL A 77 -0.328 -5.977 -4.856 1.00 0.00 C ATOM 1216 O VAL A 77 -0.768 -7.125 -4.822 1.00 0.00 O ATOM 1217 CB VAL A 77 2.016 -6.150 -3.999 1.00 0.00 C ATOM 1218 CG1 VAL A 77 2.511 -5.926 -5.422 1.00 0.00 C ATOM 1219 CG2 VAL A 77 3.017 -5.599 -3.000 1.00 0.00 C ATOM 0 H VAL A 77 0.070 -6.732 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 77 0.803 -4.410 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 77 1.911 -7.222 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.484 -6.402 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.801 -6.359 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.603 -4.856 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.984 -6.078 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.118 -4.523 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.668 -5.800 -1.987 1.00 0.00 H new ATOM 1229 N TYR A 78 -0.692 -5.097 -5.768 1.00 0.00 N ATOM 1230 CA TYR A 78 -1.647 -5.444 -6.800 1.00 0.00 C ATOM 1231 C TYR A 78 -0.997 -5.547 -8.171 1.00 0.00 C ATOM 1232 O TYR A 78 -0.289 -4.643 -8.609 1.00 0.00 O ATOM 1233 CB TYR A 78 -2.761 -4.405 -6.837 1.00 0.00 C ATOM 1234 CG TYR A 78 -3.604 -4.362 -5.583 1.00 0.00 C ATOM 1235 CD1 TYR A 78 -3.183 -3.643 -4.470 1.00 0.00 C ATOM 1236 CD2 TYR A 78 -4.817 -5.034 -5.510 1.00 0.00 C ATOM 1237 CE1 TYR A 78 -3.947 -3.596 -3.320 1.00 0.00 C ATOM 1238 CE2 TYR A 78 -5.587 -4.991 -4.363 1.00 0.00 C ATOM 1239 CZ TYR A 78 -5.148 -4.271 -3.271 1.00 0.00 C ATOM 1240 OH TYR A 78 -5.911 -4.227 -2.128 1.00 0.00 O ATOM 0 H TYR A 78 -0.342 -4.140 -5.815 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.056 -6.424 -6.555 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.321 -3.421 -7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.407 -4.611 -7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.243 -3.112 -4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.164 -5.599 -6.363 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.605 -3.033 -2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.528 -5.519 -4.322 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.447 -3.700 -1.445 1.00 0.00 H new ATOM 1250 N LYS A 79 -1.277 -6.647 -8.850 1.00 0.00 N ATOM 1251 CA LYS A 79 -0.763 -6.883 -10.183 1.00 0.00 C ATOM 1252 C LYS A 79 -1.932 -7.014 -11.139 1.00 0.00 C ATOM 1253 O LYS A 79 -2.894 -7.734 -10.873 1.00 0.00 O ATOM 1254 CB LYS A 79 0.104 -8.141 -10.204 1.00 0.00 C ATOM 1255 CG LYS A 79 1.397 -7.967 -10.973 1.00 0.00 C ATOM 1256 CD LYS A 79 1.777 -9.232 -11.726 1.00 0.00 C ATOM 1257 CE LYS A 79 3.076 -9.055 -12.497 1.00 0.00 C ATOM 1258 NZ LYS A 79 4.193 -9.829 -11.889 1.00 0.00 N ATOM 0 H LYS A 79 -1.866 -7.398 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.137 -6.046 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.336 -8.431 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.466 -8.959 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.294 -7.141 -11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.198 -7.699 -10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.880 -10.058 -11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.977 -9.500 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.932 -9.375 -13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.340 -7.998 -12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.060 -9.681 -12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.348 -9.506 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.952 -10.841 -11.885 1.00 0.00 H new ATOM 1272 N ASN A 80 -1.861 -6.275 -12.230 1.00 0.00 N ATOM 1273 CA ASN A 80 -2.932 -6.259 -13.214 1.00 0.00 C ATOM 1274 C ASN A 80 -4.254 -5.875 -12.545 1.00 0.00 C ATOM 1275 O ASN A 80 -5.314 -6.409 -12.873 1.00 0.00 O ATOM 1276 CB ASN A 80 -3.060 -7.625 -13.888 1.00 0.00 C ATOM 1277 CG ASN A 80 -1.994 -7.850 -14.945 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -2.083 -7.321 -16.053 1.00 0.00 O ATOM 1279 ND2 ASN A 80 -0.977 -8.639 -14.610 1.00 0.00 N ATOM 0 H ASN A 80 -1.069 -5.674 -12.460 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.693 -5.518 -13.977 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.990 -8.408 -13.133 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.046 -7.711 -14.346 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.233 -8.825 -15.282 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.941 -9.058 -13.681 1.00 0.00 H new ATOM 1286 N GLY A 81 -4.171 -4.923 -11.615 1.00 0.00 N ATOM 1287 CA GLY A 81 -5.348 -4.439 -10.909 1.00 0.00 C ATOM 1288 C GLY A 81 -5.967 -5.462 -9.975 1.00 0.00 C ATOM 1289 O GLY A 81 -7.139 -5.343 -9.616 1.00 0.00 O ATOM 0 H GLY A 81 -3.298 -4.474 -11.336 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.077 -3.554 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.096 -4.128 -11.639 1.00 0.00 H new ATOM 1293 N SER A 82 -5.196 -6.467 -9.580 1.00 0.00 N ATOM 1294 CA SER A 82 -5.704 -7.499 -8.685 1.00 0.00 C ATOM 1295 C SER A 82 -4.767 -7.723 -7.508 1.00 0.00 C ATOM 1296 O SER A 82 -3.574 -7.445 -7.599 1.00 0.00 O ATOM 1297 CB SER A 82 -5.934 -8.808 -9.443 1.00 0.00 C ATOM 1298 OG SER A 82 -7.240 -9.308 -9.214 1.00 0.00 O ATOM 0 H SER A 82 -4.224 -6.590 -9.863 1.00 0.00 H new ATOM 0 HA SER A 82 -6.660 -7.153 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.786 -8.644 -10.510 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.198 -9.548 -9.129 1.00 0.00 H new ATOM 0 HG SER A 82 -7.362 -10.144 -9.711 1.00 0.00 H new ATOM 1304 N SER A 83 -5.307 -8.231 -6.402 1.00 0.00 N ATOM 1305 CA SER A 83 -4.489 -8.482 -5.225 1.00 0.00 C ATOM 1306 C SER A 83 -3.517 -9.615 -5.528 1.00 0.00 C ATOM 1307 O SER A 83 -3.903 -10.637 -6.095 1.00 0.00 O ATOM 1308 CB SER A 83 -5.366 -8.838 -4.022 1.00 0.00 C ATOM 1309 OG SER A 83 -6.673 -9.200 -4.432 1.00 0.00 O ATOM 0 H SER A 83 -6.293 -8.473 -6.299 1.00 0.00 H new ATOM 0 HA SER A 83 -3.931 -7.579 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.914 -9.662 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.417 -7.988 -3.342 1.00 0.00 H new ATOM 0 HG SER A 83 -7.212 -9.424 -3.645 1.00 0.00 H new ATOM 1315 N VAL A 84 -2.244 -9.408 -5.201 1.00 0.00 N ATOM 1316 CA VAL A 84 -1.222 -10.398 -5.504 1.00 0.00 C ATOM 1317 C VAL A 84 -0.485 -10.899 -4.258 1.00 0.00 C ATOM 1318 O VAL A 84 -0.094 -12.065 -4.196 1.00 0.00 O ATOM 1319 CB VAL A 84 -0.233 -9.814 -6.543 1.00 0.00 C ATOM 1320 CG1 VAL A 84 0.886 -9.011 -5.901 1.00 0.00 C ATOM 1321 CG2 VAL A 84 0.324 -10.909 -7.439 1.00 0.00 C ATOM 0 H VAL A 84 -1.901 -8.571 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.721 -11.272 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.801 -9.118 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.549 -8.626 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.461 -8.178 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.452 -9.652 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.016 -10.473 -8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.850 -11.645 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.494 -11.396 -7.970 1.00 0.00 H new ATOM 1331 N ASP A 85 -0.298 -10.031 -3.269 1.00 0.00 N ATOM 1332 CA ASP A 85 0.391 -10.423 -2.042 1.00 0.00 C ATOM 1333 C ASP A 85 -0.076 -9.596 -0.855 1.00 0.00 C ATOM 1334 O ASP A 85 -0.777 -8.598 -1.021 1.00 0.00 O ATOM 1335 CB ASP A 85 1.899 -10.276 -2.207 1.00 0.00 C ATOM 1336 CG ASP A 85 2.669 -11.168 -1.252 1.00 0.00 C ATOM 1337 OD1 ASP A 85 2.940 -12.332 -1.616 1.00 0.00 O ATOM 1338 OD2 ASP A 85 3.001 -10.704 -0.142 1.00 0.00 O ATOM 0 H ASP A 85 -0.610 -9.060 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 85 0.149 -11.468 -1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.176 -10.520 -3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.182 -9.237 -2.039 1.00 0.00 H new ATOM 1343 N THR A 86 0.311 -10.017 0.347 1.00 0.00 N ATOM 1344 CA THR A 86 -0.079 -9.311 1.546 1.00 0.00 C ATOM 1345 C THR A 86 1.024 -9.323 2.603 1.00 0.00 C ATOM 1346 O THR A 86 1.724 -10.321 2.777 1.00 0.00 O ATOM 1347 CB THR A 86 -1.353 -9.924 2.134 1.00 0.00 C ATOM 1348 OG1 THR A 86 -1.177 -11.333 2.326 1.00 0.00 O ATOM 1349 CG2 THR A 86 -2.542 -9.675 1.217 1.00 0.00 C ATOM 0 H THR A 86 0.891 -10.840 0.507 1.00 0.00 H new ATOM 0 HA THR A 86 -0.264 -8.275 1.262 1.00 0.00 H new ATOM 0 HB THR A 86 -1.549 -9.451 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.996 -11.716 2.704 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.437 -10.119 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.690 -8.602 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.351 -10.126 0.243 1.00 0.00 H new ATOM 1357 N LEU A 87 1.166 -8.202 3.308 1.00 0.00 N ATOM 1358 CA LEU A 87 2.175 -8.068 4.355 1.00 0.00 C ATOM 1359 C LEU A 87 1.536 -7.557 5.649 1.00 0.00 C ATOM 1360 O LEU A 87 0.919 -6.492 5.668 1.00 0.00 O ATOM 1361 CB LEU A 87 3.302 -7.131 3.882 1.00 0.00 C ATOM 1362 CG LEU A 87 3.661 -5.962 4.811 1.00 0.00 C ATOM 1363 CD1 LEU A 87 4.283 -6.462 6.102 1.00 0.00 C ATOM 1364 CD2 LEU A 87 4.600 -4.997 4.105 1.00 0.00 C ATOM 0 H LEU A 87 0.592 -7.370 3.171 1.00 0.00 H new ATOM 0 HA LEU A 87 2.608 -9.047 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.199 -7.730 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.019 -6.721 2.912 1.00 0.00 H new ATOM 0 HG LEU A 87 2.742 -5.434 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.527 -5.613 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.577 -7.113 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.192 -7.019 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.846 -4.173 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.513 -5.520 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.114 -4.605 3.211 1.00 0.00 H new ATOM 1376 N LEU A 88 1.685 -8.326 6.724 1.00 0.00 N ATOM 1377 CA LEU A 88 1.119 -7.952 8.018 1.00 0.00 C ATOM 1378 C LEU A 88 2.115 -7.131 8.831 1.00 0.00 C ATOM 1379 O LEU A 88 3.304 -7.447 8.876 1.00 0.00 O ATOM 1380 CB LEU A 88 0.702 -9.200 8.803 1.00 0.00 C ATOM 1381 CG LEU A 88 -0.797 -9.509 8.781 1.00 0.00 C ATOM 1382 CD1 LEU A 88 -1.045 -10.974 9.105 1.00 0.00 C ATOM 1383 CD2 LEU A 88 -1.539 -8.610 9.758 1.00 0.00 C ATOM 0 H LEU A 88 2.192 -9.211 6.726 1.00 0.00 H new ATOM 0 HA LEU A 88 0.236 -7.340 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.240 -10.059 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.018 -9.081 9.839 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.176 -9.313 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.116 -11.175 9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.544 -11.600 8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.652 -11.199 10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.604 -8.843 9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.158 -8.775 10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.388 -7.567 9.479 1.00 0.00 H new ATOM 1395 N GLY A 89 1.624 -6.072 9.469 1.00 0.00 N ATOM 1396 CA GLY A 89 2.489 -5.221 10.265 1.00 0.00 C ATOM 1397 C GLY A 89 3.464 -4.442 9.405 1.00 0.00 C ATOM 1398 O GLY A 89 4.154 -5.020 8.566 1.00 0.00 O ATOM 0 H GLY A 89 0.644 -5.789 9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.881 -4.526 10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.042 -5.832 10.978 1.00 0.00 H new ATOM 1402 N ALA A 90 3.523 -3.128 9.603 1.00 0.00 N ATOM 1403 CA ALA A 90 4.424 -2.291 8.825 1.00 0.00 C ATOM 1404 C ALA A 90 5.856 -2.420 9.322 1.00 0.00 C ATOM 1405 O ALA A 90 6.257 -1.765 10.284 1.00 0.00 O ATOM 1406 CB ALA A 90 3.981 -0.839 8.863 1.00 0.00 C ATOM 0 H ALA A 90 2.962 -2.625 10.290 1.00 0.00 H new ATOM 0 HA ALA A 90 4.389 -2.636 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.670 -0.233 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.977 -0.754 8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.978 -0.486 9.894 1.00 0.00 H new ATOM 1412 N ASN A 91 6.625 -3.259 8.642 1.00 0.00 N ATOM 1413 CA ASN A 91 8.021 -3.474 8.986 1.00 0.00 C ATOM 1414 C ASN A 91 8.893 -3.092 7.800 1.00 0.00 C ATOM 1415 O ASN A 91 8.567 -3.412 6.657 1.00 0.00 O ATOM 1416 CB ASN A 91 8.256 -4.933 9.379 1.00 0.00 C ATOM 1417 CG ASN A 91 7.883 -5.208 10.823 1.00 0.00 C ATOM 1418 OD1 ASN A 91 7.679 -4.284 11.611 1.00 0.00 O ATOM 1419 ND2 ASN A 91 7.793 -6.484 11.178 1.00 0.00 N ATOM 0 H ASN A 91 6.301 -3.805 7.843 1.00 0.00 H new ATOM 0 HA ASN A 91 8.283 -2.850 9.840 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.672 -5.581 8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.305 -5.184 9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.546 -6.731 12.137 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.970 -7.218 10.492 1.00 0.00 H new ATOM 1426 N ASP A 92 9.993 -2.399 8.062 1.00 0.00 N ATOM 1427 CA ASP A 92 10.878 -1.978 6.986 1.00 0.00 C ATOM 1428 C ASP A 92 11.481 -3.201 6.295 1.00 0.00 C ATOM 1429 O ASP A 92 11.511 -3.298 5.070 1.00 0.00 O ATOM 1430 CB ASP A 92 11.997 -1.093 7.539 1.00 0.00 C ATOM 1431 CG ASP A 92 12.695 -1.718 8.731 1.00 0.00 C ATOM 1432 OD1 ASP A 92 11.995 -2.117 9.686 1.00 0.00 O ATOM 1433 OD2 ASP A 92 13.940 -1.807 8.710 1.00 0.00 O ATOM 0 H ASP A 92 10.291 -2.120 8.997 1.00 0.00 H new ATOM 0 HA ASP A 92 10.299 -1.407 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.728 -0.903 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.583 -0.128 7.830 1.00 0.00 H new ATOM 1438 N SER A 93 11.956 -4.134 7.112 1.00 0.00 N ATOM 1439 CA SER A 93 12.568 -5.367 6.637 1.00 0.00 C ATOM 1440 C SER A 93 11.559 -6.323 5.999 1.00 0.00 C ATOM 1441 O SER A 93 11.874 -7.007 5.026 1.00 0.00 O ATOM 1442 CB SER A 93 13.271 -6.065 7.795 1.00 0.00 C ATOM 1443 OG SER A 93 14.291 -5.247 8.342 1.00 0.00 O ATOM 0 H SER A 93 11.927 -4.055 8.128 1.00 0.00 H new ATOM 0 HA SER A 93 13.284 -5.093 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.545 -6.312 8.569 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.701 -7.005 7.450 1.00 0.00 H new ATOM 0 HG SER A 93 14.725 -5.718 9.084 1.00 0.00 H new ATOM 1449 N ALA A 94 10.358 -6.392 6.565 1.00 0.00 N ATOM 1450 CA ALA A 94 9.330 -7.296 6.052 1.00 0.00 C ATOM 1451 C ALA A 94 8.833 -6.811 4.720 1.00 0.00 C ATOM 1452 O ALA A 94 8.721 -7.581 3.766 1.00 0.00 O ATOM 1453 CB ALA A 94 8.184 -7.431 7.042 1.00 0.00 C ATOM 0 H ALA A 94 10.072 -5.838 7.373 1.00 0.00 H new ATOM 0 HA ALA A 94 9.772 -8.283 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.432 -8.109 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.562 -7.829 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.736 -6.453 7.215 1.00 0.00 H new ATOM 1459 N LEU A 95 8.577 -5.524 4.642 1.00 0.00 N ATOM 1460 CA LEU A 95 8.143 -4.944 3.402 1.00 0.00 C ATOM 1461 C LEU A 95 9.305 -4.964 2.427 1.00 0.00 C ATOM 1462 O LEU A 95 9.114 -5.078 1.219 1.00 0.00 O ATOM 1463 CB LEU A 95 7.661 -3.517 3.605 1.00 0.00 C ATOM 1464 CG LEU A 95 7.830 -2.626 2.378 1.00 0.00 C ATOM 1465 CD1 LEU A 95 6.515 -2.499 1.640 1.00 0.00 C ATOM 1466 CD2 LEU A 95 8.417 -1.280 2.763 1.00 0.00 C ATOM 0 H LEU A 95 8.662 -4.868 5.419 1.00 0.00 H new ATOM 0 HA LEU A 95 7.308 -5.524 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.608 -3.536 3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.205 -3.076 4.440 1.00 0.00 H new ATOM 0 HG LEU A 95 8.541 -3.090 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.648 -1.861 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.180 -3.486 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.768 -2.059 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.528 -0.663 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.752 -0.782 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.393 -1.428 3.226 1.00 0.00 H new ATOM 1478 N LYS A 96 10.521 -4.864 2.961 1.00 0.00 N ATOM 1479 CA LYS A 96 11.700 -4.883 2.119 1.00 0.00 C ATOM 1480 C LYS A 96 11.661 -6.140 1.277 1.00 0.00 C ATOM 1481 O LYS A 96 11.929 -6.110 0.083 1.00 0.00 O ATOM 1482 CB LYS A 96 12.974 -4.857 2.969 1.00 0.00 C ATOM 1483 CG LYS A 96 14.256 -4.955 2.155 1.00 0.00 C ATOM 1484 CD LYS A 96 14.398 -3.789 1.188 1.00 0.00 C ATOM 1485 CE LYS A 96 15.550 -2.876 1.578 1.00 0.00 C ATOM 1486 NZ LYS A 96 16.872 -3.474 1.240 1.00 0.00 N ATOM 0 H LYS A 96 10.708 -4.771 3.959 1.00 0.00 H new ATOM 0 HA LYS A 96 11.709 -4.000 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.993 -3.935 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.942 -5.682 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.114 -4.977 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.263 -5.892 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.560 -4.170 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.470 -3.217 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.443 -1.919 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.506 -2.673 2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.631 -2.821 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.985 -4.375 1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.924 -3.644 0.215 1.00 0.00 H new ATOM 1500 N GLN A 97 11.285 -7.237 1.919 1.00 0.00 N ATOM 1501 CA GLN A 97 11.164 -8.516 1.247 1.00 0.00 C ATOM 1502 C GLN A 97 9.960 -8.533 0.304 1.00 0.00 C ATOM 1503 O GLN A 97 10.044 -9.062 -0.804 1.00 0.00 O ATOM 1504 CB GLN A 97 11.038 -9.644 2.272 1.00 0.00 C ATOM 1505 CG GLN A 97 12.335 -9.949 3.004 1.00 0.00 C ATOM 1506 CD GLN A 97 12.171 -9.947 4.511 1.00 0.00 C ATOM 1507 OE1 GLN A 97 11.053 -9.987 5.025 1.00 0.00 O ATOM 1508 NE2 GLN A 97 13.287 -9.900 5.229 1.00 0.00 N ATOM 0 H GLN A 97 11.057 -7.263 2.913 1.00 0.00 H new ATOM 0 HA GLN A 97 12.066 -8.669 0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 97 10.273 -9.377 3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.695 -10.547 1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.707 -10.922 2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.088 -9.212 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.193 -9.868 4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.238 -9.896 6.248 1.00 0.00 H new ATOM 1517 N LEU A 98 8.829 -7.972 0.750 1.00 0.00 N ATOM 1518 CA LEU A 98 7.625 -7.958 -0.061 1.00 0.00 C ATOM 1519 C LEU A 98 7.751 -7.022 -1.265 1.00 0.00 C ATOM 1520 O LEU A 98 7.424 -7.393 -2.392 1.00 0.00 O ATOM 1521 CB LEU A 98 6.437 -7.545 0.806 1.00 0.00 C ATOM 1522 CG LEU A 98 5.157 -7.275 0.029 1.00 0.00 C ATOM 1523 CD1 LEU A 98 4.020 -8.153 0.530 1.00 0.00 C ATOM 1524 CD2 LEU A 98 4.782 -5.805 0.108 1.00 0.00 C ATOM 0 H LEU A 98 8.732 -7.527 1.663 1.00 0.00 H new ATOM 0 HA LEU A 98 7.471 -8.964 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.245 -8.331 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.705 -6.648 1.365 1.00 0.00 H new ATOM 0 HG LEU A 98 5.336 -7.525 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.117 -7.940 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.289 -9.202 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.839 -7.947 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.864 -5.633 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.628 -5.524 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.585 -5.201 -0.315 1.00 0.00 H new ATOM 1536 N ILE A 99 8.219 -5.808 -1.012 1.00 0.00 N ATOM 1537 CA ILE A 99 8.387 -4.808 -2.043 1.00 0.00 C ATOM 1538 C ILE A 99 9.500 -5.206 -3.016 1.00 0.00 C ATOM 1539 O ILE A 99 9.414 -4.958 -4.217 1.00 0.00 O ATOM 1540 CB ILE A 99 8.601 -3.414 -1.382 1.00 0.00 C ATOM 1541 CG1 ILE A 99 7.934 -2.333 -2.215 1.00 0.00 C ATOM 1542 CG2 ILE A 99 10.066 -3.072 -1.145 1.00 0.00 C ATOM 1543 CD1 ILE A 99 8.574 -2.163 -3.565 1.00 0.00 C ATOM 0 H ILE A 99 8.492 -5.493 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 99 7.484 -4.740 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 99 8.136 -3.464 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.880 -2.579 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.976 -1.387 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.140 -2.088 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.512 -3.817 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.597 -3.066 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.057 -1.378 -4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.621 -1.889 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.508 -3.099 -4.119 1.00 0.00 H new ATOM 1555 N GLU A 100 10.524 -5.859 -2.487 1.00 0.00 N ATOM 1556 CA GLU A 100 11.650 -6.337 -3.284 1.00 0.00 C ATOM 1557 C GLU A 100 11.238 -7.436 -4.264 1.00 0.00 C ATOM 1558 O GLU A 100 11.829 -7.596 -5.328 1.00 0.00 O ATOM 1559 CB GLU A 100 12.749 -6.865 -2.367 1.00 0.00 C ATOM 1560 CG GLU A 100 13.822 -5.836 -2.049 1.00 0.00 C ATOM 1561 CD GLU A 100 15.212 -6.440 -2.000 1.00 0.00 C ATOM 1562 OE1 GLU A 100 15.556 -7.212 -2.919 1.00 0.00 O ATOM 1563 OE2 GLU A 100 15.956 -6.140 -1.043 1.00 0.00 O ATOM 0 H GLU A 100 10.600 -6.074 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 100 12.018 -5.491 -3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.299 -7.209 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.216 -7.732 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.799 -5.048 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.599 -5.368 -1.090 1.00 0.00 H new ATOM 1570 N LYS A 101 10.272 -8.237 -3.861 1.00 0.00 N ATOM 1571 CA LYS A 101 9.835 -9.371 -4.664 1.00 0.00 C ATOM 1572 C LYS A 101 9.241 -8.975 -6.003 1.00 0.00 C ATOM 1573 O LYS A 101 9.566 -9.562 -7.035 1.00 0.00 O ATOM 1574 CB LYS A 101 8.782 -10.144 -3.883 1.00 0.00 C ATOM 1575 CG LYS A 101 9.224 -11.529 -3.443 1.00 0.00 C ATOM 1576 CD LYS A 101 8.124 -12.242 -2.672 1.00 0.00 C ATOM 1577 CE LYS A 101 8.668 -12.925 -1.428 1.00 0.00 C ATOM 1578 NZ LYS A 101 8.012 -14.239 -1.181 1.00 0.00 N ATOM 0 H LYS A 101 9.771 -8.126 -2.980 1.00 0.00 H new ATOM 0 HA LYS A 101 10.721 -9.972 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.503 -9.567 -3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.887 -10.239 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.500 -12.119 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.114 -11.448 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.354 -11.525 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.648 -12.982 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.743 -13.071 -1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.519 -12.277 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.412 -14.671 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.990 -14.098 -1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.176 -14.867 -1.994 1.00 0.00 H new ATOM 1592 N TYR A 102 8.361 -7.998 -5.982 1.00 0.00 N ATOM 1593 CA TYR A 102 7.712 -7.549 -7.197 1.00 0.00 C ATOM 1594 C TYR A 102 8.406 -6.330 -7.745 1.00 0.00 C ATOM 1595 O TYR A 102 8.457 -6.112 -8.955 1.00 0.00 O ATOM 1596 CB TYR A 102 6.240 -7.262 -6.919 1.00 0.00 C ATOM 1597 CG TYR A 102 5.630 -8.294 -6.013 1.00 0.00 C ATOM 1598 CD1 TYR A 102 5.687 -8.149 -4.637 1.00 0.00 C ATOM 1599 CD2 TYR A 102 5.035 -9.431 -6.535 1.00 0.00 C ATOM 1600 CE1 TYR A 102 5.168 -9.114 -3.800 1.00 0.00 C ATOM 1601 CE2 TYR A 102 4.506 -10.397 -5.708 1.00 0.00 C ATOM 1602 CZ TYR A 102 4.577 -10.237 -4.342 1.00 0.00 C ATOM 1603 OH TYR A 102 4.071 -11.212 -3.517 1.00 0.00 O ATOM 0 H TYR A 102 8.078 -7.499 -5.139 1.00 0.00 H new ATOM 0 HA TYR A 102 7.776 -8.336 -7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.142 -6.276 -6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.691 -7.235 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.145 -7.267 -4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.985 -9.562 -7.606 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.224 -8.992 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.038 -11.275 -6.128 1.00 0.00 H new ATOM 0 HH TYR A 102 3.689 -11.933 -4.059 1.00 0.00 H new ATOM 1613 N ALA A 103 8.929 -5.529 -6.838 1.00 0.00 N ATOM 1614 CA ALA A 103 9.614 -4.310 -7.228 1.00 0.00 C ATOM 1615 C ALA A 103 11.119 -4.514 -7.329 1.00 0.00 C ATOM 1616 O ALA A 103 11.761 -3.985 -8.235 1.00 0.00 O ATOM 1617 CB ALA A 103 9.280 -3.201 -6.254 1.00 0.00 C ATOM 0 H ALA A 103 8.894 -5.697 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 103 9.266 -4.027 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.796 -2.288 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.204 -3.026 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.599 -3.489 -5.252 1.00 0.00 H new ATOM 1623 N ALA A 104 11.671 -5.294 -6.407 1.00 0.00 N ATOM 1624 CA ALA A 104 13.111 -5.578 -6.398 1.00 0.00 C ATOM 1625 C ALA A 104 13.958 -4.306 -6.412 1.00 0.00 C ATOM 1626 CB ALA A 104 13.479 -6.456 -7.578 1.00 0.00 C ATOM 0 H ALA A 104 11.149 -5.743 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 104 13.327 -6.102 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.550 -6.660 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.930 -7.396 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.222 -5.945 -8.506 1.00 0.00 H new TER 1632 ALA A 104