USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 759 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 20 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 GLN : amide:sc= -1.73! K(o=-1.4!,f=-0.29) USER MOD Set 2.2: A 88 SER OG : rot -60:sc= 0.349 USER MOD Set 3.1: A 80 SER OG : rot 161:sc= -0.436 USER MOD Set 3.2: A 89 SER OG : rot -81:sc= 0.152 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 26:sc= 0.938 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0839 USER MOD Single : A 9 MET CE :methyl 148:sc= -0.381 (180deg=-1.13) USER MOD Single : A 11 THR OG1 : rot 120:sc= -0.938 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.18 USER MOD Single : A 29 CYS SG : rot -109:sc= -0.301 USER MOD Single : A 32 SER OG : rot 160:sc= 0.333 USER MOD Single : A 37 ASN : amide:sc=-0.000716 X(o=-0.00072,f=-0.00072) USER MOD Single : A 39 LYS NZ :NH3+ -113:sc= 0.029 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -150:sc= 0.97 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.994 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -72:sc= 1.12 USER MOD Single : A 82 MET CE :methyl 161:sc= -0.476 (180deg=-1.27!) USER MOD Single : A 83 THR OG1 : rot 132:sc= -0.445 USER MOD Single : A 84 THR OG1 : rot 161:sc= -0.922 USER MOD Single : A 87 GLN : amide:sc= -1.76 K(o=-1.8,f=-3.6) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0486) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.309 -4.906 -10.219 1.00 0.00 N ATOM 2 CA GLY A 1 -30.132 -5.703 -9.927 1.00 0.00 C ATOM 3 C GLY A 1 -29.631 -5.500 -8.511 1.00 0.00 C ATOM 4 O GLY A 1 -28.897 -4.551 -8.235 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.612 -5.080 -11.198 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.076 -5.168 -9.567 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.084 -3.898 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.364 -6.757 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.339 -5.446 -10.630 1.00 0.00 H new ATOM 8 N SER A 2 -30.029 -6.392 -7.610 1.00 0.00 N ATOM 9 CA SER A 2 -29.619 -6.304 -6.213 1.00 0.00 C ATOM 10 C SER A 2 -28.697 -7.461 -5.843 1.00 0.00 C ATOM 11 O SER A 2 -28.621 -8.461 -6.556 1.00 0.00 O ATOM 12 CB SER A 2 -30.846 -6.301 -5.300 1.00 0.00 C ATOM 13 OG SER A 2 -31.729 -5.244 -5.634 1.00 0.00 O ATOM 0 H SER A 2 -30.635 -7.184 -7.822 1.00 0.00 H new ATOM 0 HA SER A 2 -29.072 -5.371 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.367 -7.255 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.530 -6.200 -4.262 1.00 0.00 H new ATOM 0 HG SER A 2 -32.506 -5.266 -5.037 1.00 0.00 H new ATOM 19 N SER A 3 -27.999 -7.317 -4.721 1.00 0.00 N ATOM 20 CA SER A 3 -27.079 -8.348 -4.256 1.00 0.00 C ATOM 21 C SER A 3 -26.790 -8.187 -2.766 1.00 0.00 C ATOM 22 O SER A 3 -26.341 -7.133 -2.320 1.00 0.00 O ATOM 23 CB SER A 3 -25.772 -8.291 -5.049 1.00 0.00 C ATOM 24 OG SER A 3 -25.918 -8.904 -6.319 1.00 0.00 O ATOM 0 H SER A 3 -28.053 -6.497 -4.117 1.00 0.00 H new ATOM 0 HA SER A 3 -27.550 -9.318 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.465 -7.253 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.981 -8.791 -4.489 1.00 0.00 H new ATOM 0 HG SER A 3 -26.858 -8.868 -6.594 1.00 0.00 H new ATOM 30 N GLY A 4 -27.053 -9.243 -2.002 1.00 0.00 N ATOM 31 CA GLY A 4 -26.816 -9.199 -0.571 1.00 0.00 C ATOM 32 C GLY A 4 -25.513 -8.508 -0.219 1.00 0.00 C ATOM 33 O GLY A 4 -25.494 -7.578 0.586 1.00 0.00 O ATOM 0 H GLY A 4 -27.426 -10.127 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.642 -8.679 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.803 -10.215 -0.177 1.00 0.00 H new ATOM 37 N SER A 5 -24.421 -8.966 -0.823 1.00 0.00 N ATOM 38 CA SER A 5 -23.107 -8.389 -0.565 1.00 0.00 C ATOM 39 C SER A 5 -22.924 -7.086 -1.339 1.00 0.00 C ATOM 40 O SER A 5 -23.300 -6.987 -2.506 1.00 0.00 O ATOM 41 CB SER A 5 -22.007 -9.381 -0.948 1.00 0.00 C ATOM 42 OG SER A 5 -22.043 -10.528 -0.117 1.00 0.00 O ATOM 0 H SER A 5 -24.420 -9.734 -1.494 1.00 0.00 H new ATOM 0 HA SER A 5 -23.036 -8.172 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.128 -9.679 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.033 -8.899 -0.865 1.00 0.00 H new ATOM 0 HG SER A 5 -21.331 -11.147 -0.383 1.00 0.00 H new ATOM 48 N SER A 6 -22.344 -6.090 -0.678 1.00 0.00 N ATOM 49 CA SER A 6 -22.114 -4.791 -1.300 1.00 0.00 C ATOM 50 C SER A 6 -20.621 -4.511 -1.437 1.00 0.00 C ATOM 51 O SER A 6 -19.800 -5.099 -0.734 1.00 0.00 O ATOM 52 CB SER A 6 -22.779 -3.684 -0.480 1.00 0.00 C ATOM 53 OG SER A 6 -22.454 -2.404 -0.994 1.00 0.00 O ATOM 0 H SER A 6 -22.025 -6.157 0.288 1.00 0.00 H new ATOM 0 HA SER A 6 -22.555 -4.810 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.861 -3.819 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.458 -3.754 0.559 1.00 0.00 H new ATOM 0 HG SER A 6 -22.892 -1.714 -0.454 1.00 0.00 H new ATOM 59 N GLY A 7 -20.276 -3.607 -2.350 1.00 0.00 N ATOM 60 CA GLY A 7 -18.882 -3.264 -2.564 1.00 0.00 C ATOM 61 C GLY A 7 -18.266 -2.567 -1.367 1.00 0.00 C ATOM 62 O GLY A 7 -18.964 -2.230 -0.410 1.00 0.00 O ATOM 0 H GLY A 7 -20.937 -3.107 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.318 -4.170 -2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.800 -2.618 -3.438 1.00 0.00 H new ATOM 66 N ILE A 8 -16.956 -2.351 -1.420 1.00 0.00 N ATOM 67 CA ILE A 8 -16.247 -1.690 -0.331 1.00 0.00 C ATOM 68 C ILE A 8 -15.740 -0.317 -0.759 1.00 0.00 C ATOM 69 O ILE A 8 -15.040 -0.188 -1.763 1.00 0.00 O ATOM 70 CB ILE A 8 -15.056 -2.534 0.160 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.554 -3.800 0.861 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.176 -1.716 1.093 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.462 -4.811 1.131 1.00 0.00 C ATOM 0 H ILE A 8 -16.364 -2.624 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 8 -16.960 -1.574 0.485 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.460 -2.830 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.022 -3.522 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.325 -4.266 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.339 -2.326 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.797 -0.842 0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.761 -1.393 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.888 -5.682 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.009 -5.118 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.701 -4.363 1.770 1.00 0.00 H new ATOM 85 N MET A 9 -16.097 0.706 0.010 1.00 0.00 N ATOM 86 CA MET A 9 -15.676 2.070 -0.288 1.00 0.00 C ATOM 87 C MET A 9 -14.558 2.511 0.652 1.00 0.00 C ATOM 88 O MET A 9 -14.616 2.270 1.858 1.00 0.00 O ATOM 89 CB MET A 9 -16.862 3.029 -0.174 1.00 0.00 C ATOM 90 CG MET A 9 -18.134 2.501 -0.816 1.00 0.00 C ATOM 91 SD MET A 9 -17.956 2.226 -2.589 1.00 0.00 S ATOM 92 CE MET A 9 -18.686 0.599 -2.755 1.00 0.00 C ATOM 0 H MET A 9 -16.677 0.616 0.844 1.00 0.00 H new ATOM 0 HA MET A 9 -15.298 2.092 -1.310 1.00 0.00 H new ATOM 0 HB2 MET A 9 -17.054 3.233 0.879 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.597 3.978 -0.639 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.418 1.566 -0.334 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.945 3.208 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.166 0.513 -3.730 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.908 -0.160 -2.665 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.429 0.452 -1.971 1.00 0.00 H new ATOM 102 N VAL A 10 -13.541 3.158 0.092 1.00 0.00 N ATOM 103 CA VAL A 10 -12.410 3.634 0.880 1.00 0.00 C ATOM 104 C VAL A 10 -12.758 4.922 1.618 1.00 0.00 C ATOM 105 O VAL A 10 -12.747 6.007 1.036 1.00 0.00 O ATOM 106 CB VAL A 10 -11.173 3.879 -0.004 1.00 0.00 C ATOM 107 CG1 VAL A 10 -10.060 4.529 0.803 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.699 2.576 -0.630 1.00 0.00 C ATOM 0 H VAL A 10 -13.477 3.365 -0.905 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.179 2.854 1.606 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.451 4.561 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.194 4.694 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.407 5.484 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.780 3.875 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.824 2.768 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.437 1.868 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.496 2.157 -1.245 1.00 0.00 H new ATOM 118 N THR A 11 -13.066 4.795 2.905 1.00 0.00 N ATOM 119 CA THR A 11 -13.417 5.948 3.724 1.00 0.00 C ATOM 120 C THR A 11 -12.229 6.888 3.889 1.00 0.00 C ATOM 121 O THR A 11 -12.376 8.109 3.832 1.00 0.00 O ATOM 122 CB THR A 11 -13.914 5.518 5.117 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.877 4.818 5.812 1.00 0.00 O ATOM 124 CG2 THR A 11 -15.144 4.629 5.002 1.00 0.00 C ATOM 0 H THR A 11 -13.079 3.905 3.402 1.00 0.00 H new ATOM 0 HA THR A 11 -14.221 6.470 3.205 1.00 0.00 H new ATOM 0 HB THR A 11 -14.184 6.414 5.675 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.658 5.295 6.639 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.477 4.338 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.942 5.175 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.896 3.737 4.427 1.00 0.00 H new ATOM 132 N LYS A 12 -11.049 6.312 4.094 1.00 0.00 N ATOM 133 CA LYS A 12 -9.833 7.098 4.265 1.00 0.00 C ATOM 134 C LYS A 12 -8.845 6.825 3.136 1.00 0.00 C ATOM 135 O LYS A 12 -8.090 5.854 3.182 1.00 0.00 O ATOM 136 CB LYS A 12 -9.182 6.782 5.614 1.00 0.00 C ATOM 137 CG LYS A 12 -8.128 7.791 6.032 1.00 0.00 C ATOM 138 CD LYS A 12 -7.589 7.491 7.421 1.00 0.00 C ATOM 139 CE LYS A 12 -6.451 8.431 7.792 1.00 0.00 C ATOM 140 NZ LYS A 12 -6.227 8.475 9.264 1.00 0.00 N ATOM 0 H LYS A 12 -10.909 5.303 4.146 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.106 8.153 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.956 6.739 6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.727 5.793 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.309 7.782 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.556 8.793 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.392 7.584 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.239 6.460 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.536 8.108 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.675 9.434 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.444 9.126 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.092 8.807 9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.988 7.523 9.607 1.00 0.00 H new ATOM 154 N GLN A 13 -8.854 7.688 2.125 1.00 0.00 N ATOM 155 CA GLN A 13 -7.958 7.539 0.985 1.00 0.00 C ATOM 156 C GLN A 13 -6.501 7.658 1.419 1.00 0.00 C ATOM 157 O GLN A 13 -6.202 8.188 2.490 1.00 0.00 O ATOM 158 CB GLN A 13 -8.273 8.591 -0.079 1.00 0.00 C ATOM 159 CG GLN A 13 -9.698 8.520 -0.603 1.00 0.00 C ATOM 160 CD GLN A 13 -9.834 7.603 -1.802 1.00 0.00 C ATOM 161 OE1 GLN A 13 -9.235 7.841 -2.851 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.626 6.548 -1.654 1.00 0.00 N ATOM 0 H GLN A 13 -9.472 8.498 2.073 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.112 6.547 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.098 9.582 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.582 8.470 -0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.357 8.172 0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.031 9.521 -0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.103 6.389 -0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.757 5.896 -2.428 1.00 0.00 H new ATOM 171 N LEU A 14 -5.597 7.160 0.582 1.00 0.00 N ATOM 172 CA LEU A 14 -4.170 7.210 0.879 1.00 0.00 C ATOM 173 C LEU A 14 -3.643 8.639 0.784 1.00 0.00 C ATOM 174 O LEU A 14 -4.176 9.457 0.036 1.00 0.00 O ATOM 175 CB LEU A 14 -3.397 6.305 -0.081 1.00 0.00 C ATOM 176 CG LEU A 14 -3.754 4.818 -0.036 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.167 4.092 -1.236 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.264 4.191 1.261 1.00 0.00 C ATOM 0 H LEU A 14 -5.827 6.717 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.024 6.856 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.557 6.666 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.333 6.409 0.131 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.839 4.723 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.431 3.036 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.566 4.524 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.082 4.195 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.527 3.133 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.181 4.297 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.733 4.693 2.108 1.00 0.00 H new ATOM 190 N GLU A 15 -2.593 8.929 1.546 1.00 0.00 N ATOM 191 CA GLU A 15 -1.994 10.258 1.545 1.00 0.00 C ATOM 192 C GLU A 15 -0.527 10.194 1.128 1.00 0.00 C ATOM 193 O GLU A 15 0.194 9.268 1.499 1.00 0.00 O ATOM 194 CB GLU A 15 -2.114 10.897 2.931 1.00 0.00 C ATOM 195 CG GLU A 15 -3.545 11.212 3.333 1.00 0.00 C ATOM 196 CD GLU A 15 -3.756 11.152 4.834 1.00 0.00 C ATOM 197 OE1 GLU A 15 -3.566 12.191 5.501 1.00 0.00 O ATOM 198 OE2 GLU A 15 -4.110 10.068 5.340 1.00 0.00 O ATOM 0 H GLU A 15 -2.140 8.262 2.171 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.533 10.870 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.677 10.226 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.529 11.817 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.809 12.206 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.219 10.507 2.847 1.00 0.00 H new ATOM 205 N ASP A 16 -0.095 11.184 0.355 1.00 0.00 N ATOM 206 CA ASP A 16 1.285 11.242 -0.112 1.00 0.00 C ATOM 207 C ASP A 16 2.259 11.008 1.039 1.00 0.00 C ATOM 208 O ASP A 16 2.034 11.466 2.160 1.00 0.00 O ATOM 209 CB ASP A 16 1.568 12.594 -0.770 1.00 0.00 C ATOM 210 CG ASP A 16 3.039 12.956 -0.740 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.542 13.310 0.348 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.690 12.884 -1.803 1.00 0.00 O ATOM 0 H ASP A 16 -0.680 11.957 0.039 1.00 0.00 H new ATOM 0 HA ASP A 16 1.426 10.452 -0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.224 12.571 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.996 13.369 -0.261 1.00 0.00 H new ATOM 217 N THR A 17 3.343 10.292 0.754 1.00 0.00 N ATOM 218 CA THR A 17 4.350 9.996 1.765 1.00 0.00 C ATOM 219 C THR A 17 5.757 10.109 1.189 1.00 0.00 C ATOM 220 O THR A 17 6.006 9.715 0.050 1.00 0.00 O ATOM 221 CB THR A 17 4.159 8.584 2.352 1.00 0.00 C ATOM 222 OG1 THR A 17 2.850 8.462 2.919 1.00 0.00 O ATOM 223 CG2 THR A 17 5.207 8.294 3.415 1.00 0.00 C ATOM 0 H THR A 17 3.545 9.907 -0.169 1.00 0.00 H new ATOM 0 HA THR A 17 4.226 10.731 2.560 1.00 0.00 H new ATOM 0 HB THR A 17 4.273 7.860 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.736 7.561 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.052 7.292 3.815 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.201 8.359 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.120 9.023 4.220 1.00 0.00 H new ATOM 231 N THR A 18 6.675 10.649 1.985 1.00 0.00 N ATOM 232 CA THR A 18 8.058 10.814 1.554 1.00 0.00 C ATOM 233 C THR A 18 9.018 10.108 2.504 1.00 0.00 C ATOM 234 O THR A 18 9.244 10.564 3.625 1.00 0.00 O ATOM 235 CB THR A 18 8.444 12.302 1.463 1.00 0.00 C ATOM 236 OG1 THR A 18 7.562 12.984 0.565 1.00 0.00 O ATOM 237 CG2 THR A 18 9.881 12.461 0.988 1.00 0.00 C ATOM 0 H THR A 18 6.486 10.979 2.931 1.00 0.00 H new ATOM 0 HA THR A 18 8.136 10.365 0.564 1.00 0.00 H new ATOM 0 HB THR A 18 8.356 12.738 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.814 13.930 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.130 13.521 0.932 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.553 11.967 1.690 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.990 12.010 0.002 1.00 0.00 H new ATOM 245 N ALA A 19 9.581 8.994 2.049 1.00 0.00 N ATOM 246 CA ALA A 19 10.519 8.226 2.859 1.00 0.00 C ATOM 247 C ALA A 19 11.932 8.310 2.290 1.00 0.00 C ATOM 248 O ALA A 19 12.167 8.981 1.285 1.00 0.00 O ATOM 249 CB ALA A 19 10.072 6.775 2.953 1.00 0.00 C ATOM 0 H ALA A 19 9.404 8.603 1.124 1.00 0.00 H new ATOM 0 HA ALA A 19 10.532 8.656 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.782 6.214 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.085 6.727 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.029 6.342 1.954 1.00 0.00 H new ATOM 255 N TYR A 20 12.867 7.626 2.939 1.00 0.00 N ATOM 256 CA TYR A 20 14.257 7.626 2.499 1.00 0.00 C ATOM 257 C TYR A 20 14.690 6.231 2.059 1.00 0.00 C ATOM 258 O TYR A 20 14.028 5.239 2.365 1.00 0.00 O ATOM 259 CB TYR A 20 15.170 8.125 3.621 1.00 0.00 C ATOM 260 CG TYR A 20 14.893 9.552 4.037 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.523 10.616 3.404 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.000 9.837 5.063 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.274 11.921 3.781 1.00 0.00 C ATOM 264 CE2 TYR A 20 13.743 11.139 5.446 1.00 0.00 C ATOM 265 CZ TYR A 20 14.383 12.178 4.802 1.00 0.00 C ATOM 266 OH TYR A 20 14.131 13.477 5.180 1.00 0.00 O ATOM 0 H TYR A 20 12.688 7.064 3.771 1.00 0.00 H new ATOM 0 HA TYR A 20 14.340 8.299 1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.056 7.474 4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.208 8.045 3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 20 16.220 10.419 2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.498 9.026 5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.774 12.736 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.045 11.343 6.245 1.00 0.00 H new ATOM 0 HH TYR A 20 13.479 13.484 5.912 1.00 0.00 H new ATOM 276 N CYS A 21 15.805 6.163 1.341 1.00 0.00 N ATOM 277 CA CYS A 21 16.327 4.890 0.858 1.00 0.00 C ATOM 278 C CYS A 21 16.785 4.014 2.020 1.00 0.00 C ATOM 279 O CYS A 21 17.828 4.262 2.623 1.00 0.00 O ATOM 280 CB CYS A 21 17.490 5.125 -0.108 1.00 0.00 C ATOM 281 SG CYS A 21 18.033 3.640 -0.985 1.00 0.00 S ATOM 0 H CYS A 21 16.365 6.975 1.080 1.00 0.00 H new ATOM 0 HA CYS A 21 15.525 4.373 0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.195 5.878 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.333 5.534 0.448 1.00 0.00 H new ATOM 0 HG CYS A 21 19.018 3.940 -1.779 1.00 0.00 H new ATOM 287 N GLY A 22 15.996 2.990 2.329 1.00 0.00 N ATOM 288 CA GLY A 22 16.336 2.094 3.419 1.00 0.00 C ATOM 289 C GLY A 22 15.412 2.254 4.610 1.00 0.00 C ATOM 290 O GLY A 22 15.443 1.448 5.539 1.00 0.00 O ATOM 0 H GLY A 22 15.127 2.765 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.293 1.064 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.363 2.281 3.732 1.00 0.00 H new ATOM 294 N GLU A 23 14.589 3.298 4.583 1.00 0.00 N ATOM 295 CA GLU A 23 13.655 3.561 5.671 1.00 0.00 C ATOM 296 C GLU A 23 12.420 2.673 5.555 1.00 0.00 C ATOM 297 O GLU A 23 12.189 2.045 4.521 1.00 0.00 O ATOM 298 CB GLU A 23 13.239 5.034 5.671 1.00 0.00 C ATOM 299 CG GLU A 23 14.135 5.919 6.521 1.00 0.00 C ATOM 300 CD GLU A 23 13.816 5.823 8.000 1.00 0.00 C ATOM 301 OE1 GLU A 23 12.652 6.079 8.373 1.00 0.00 O ATOM 302 OE2 GLU A 23 14.730 5.493 8.785 1.00 0.00 O ATOM 0 H GLU A 23 14.550 3.974 3.820 1.00 0.00 H new ATOM 0 HA GLU A 23 14.158 3.333 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.244 5.404 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.214 5.114 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.176 5.639 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.030 6.954 6.197 1.00 0.00 H new ATOM 309 N ARG A 24 11.630 2.624 6.622 1.00 0.00 N ATOM 310 CA ARG A 24 10.420 1.812 6.641 1.00 0.00 C ATOM 311 C ARG A 24 9.194 2.655 6.300 1.00 0.00 C ATOM 312 O ARG A 24 8.862 3.602 7.012 1.00 0.00 O ATOM 313 CB ARG A 24 10.238 1.161 8.014 1.00 0.00 C ATOM 314 CG ARG A 24 8.898 0.464 8.185 1.00 0.00 C ATOM 315 CD ARG A 24 8.464 0.441 9.642 1.00 0.00 C ATOM 316 NE ARG A 24 7.065 0.052 9.790 1.00 0.00 N ATOM 317 CZ ARG A 24 6.565 -0.488 10.897 1.00 0.00 C ATOM 318 NH1 ARG A 24 7.348 -0.701 11.946 1.00 0.00 N ATOM 319 NH2 ARG A 24 5.281 -0.816 10.955 1.00 0.00 N ATOM 0 H ARG A 24 11.806 3.138 7.485 1.00 0.00 H new ATOM 0 HA ARG A 24 10.525 1.032 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.037 0.437 8.172 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.342 1.924 8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.143 0.974 7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.967 -0.557 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.094 -0.254 10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.614 1.427 10.081 1.00 0.00 H new ATOM 0 HE ARG A 24 6.437 0.203 9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.336 -0.450 11.904 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.962 -1.115 12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.676 -0.654 10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.898 -1.230 11.805 1.00 0.00 H new ATOM 333 N VAL A 25 8.526 2.302 5.206 1.00 0.00 N ATOM 334 CA VAL A 25 7.337 3.025 4.771 1.00 0.00 C ATOM 335 C VAL A 25 6.068 2.359 5.289 1.00 0.00 C ATOM 336 O VAL A 25 5.948 1.134 5.274 1.00 0.00 O ATOM 337 CB VAL A 25 7.266 3.115 3.235 1.00 0.00 C ATOM 338 CG1 VAL A 25 6.028 3.886 2.801 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.527 3.760 2.680 1.00 0.00 C ATOM 0 H VAL A 25 8.788 1.520 4.605 1.00 0.00 H new ATOM 0 HA VAL A 25 7.410 4.031 5.184 1.00 0.00 H new ATOM 0 HB VAL A 25 7.195 2.104 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.995 3.939 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.136 3.377 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.065 4.895 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.459 3.815 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.632 4.765 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.395 3.162 2.960 1.00 0.00 H new ATOM 349 N GLU A 26 5.122 3.173 5.747 1.00 0.00 N ATOM 350 CA GLU A 26 3.861 2.661 6.270 1.00 0.00 C ATOM 351 C GLU A 26 2.677 3.417 5.674 1.00 0.00 C ATOM 352 O GLU A 26 2.522 4.620 5.889 1.00 0.00 O ATOM 353 CB GLU A 26 3.835 2.772 7.796 1.00 0.00 C ATOM 354 CG GLU A 26 4.684 1.725 8.497 1.00 0.00 C ATOM 355 CD GLU A 26 4.323 1.565 9.961 1.00 0.00 C ATOM 356 OE1 GLU A 26 3.376 0.808 10.260 1.00 0.00 O ATOM 357 OE2 GLU A 26 4.988 2.198 10.808 1.00 0.00 O ATOM 0 H GLU A 26 5.205 4.189 5.766 1.00 0.00 H new ATOM 0 HA GLU A 26 3.779 1.612 5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.183 3.763 8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.805 2.683 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.564 0.767 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.735 2.000 8.414 1.00 0.00 H new ATOM 364 N LEU A 27 1.845 2.704 4.923 1.00 0.00 N ATOM 365 CA LEU A 27 0.675 3.307 4.294 1.00 0.00 C ATOM 366 C LEU A 27 -0.608 2.845 4.978 1.00 0.00 C ATOM 367 O LEU A 27 -1.008 1.688 4.852 1.00 0.00 O ATOM 368 CB LEU A 27 0.631 2.951 2.807 1.00 0.00 C ATOM 369 CG LEU A 27 1.906 3.233 2.012 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.777 2.703 0.592 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.209 4.724 2.001 1.00 0.00 C ATOM 0 H LEU A 27 1.959 1.708 4.735 1.00 0.00 H new ATOM 0 HA LEU A 27 0.752 4.389 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.396 1.891 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.190 3.501 2.346 1.00 0.00 H new ATOM 0 HG LEU A 27 2.735 2.718 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.694 2.913 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.608 1.627 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.937 3.190 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.120 4.906 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.379 5.261 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.345 5.075 3.024 1.00 0.00 H new ATOM 383 N GLU A 28 -1.250 3.759 5.699 1.00 0.00 N ATOM 384 CA GLU A 28 -2.489 3.445 6.401 1.00 0.00 C ATOM 385 C GLU A 28 -3.702 3.894 5.590 1.00 0.00 C ATOM 386 O GLU A 28 -3.633 4.865 4.835 1.00 0.00 O ATOM 387 CB GLU A 28 -2.506 4.114 7.777 1.00 0.00 C ATOM 388 CG GLU A 28 -3.581 3.573 8.704 1.00 0.00 C ATOM 389 CD GLU A 28 -4.004 4.579 9.756 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.818 5.792 9.527 1.00 0.00 O ATOM 391 OE2 GLU A 28 -4.523 4.152 10.809 1.00 0.00 O ATOM 0 H GLU A 28 -0.933 4.722 5.812 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.539 2.364 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.532 3.982 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.655 5.186 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.451 3.282 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.212 2.672 9.195 1.00 0.00 H new ATOM 398 N CYS A 29 -4.811 3.181 5.752 1.00 0.00 N ATOM 399 CA CYS A 29 -6.039 3.504 5.035 1.00 0.00 C ATOM 400 C CYS A 29 -7.245 2.844 5.697 1.00 0.00 C ATOM 401 O CYS A 29 -7.096 1.943 6.521 1.00 0.00 O ATOM 402 CB CYS A 29 -5.935 3.057 3.576 1.00 0.00 C ATOM 403 SG CYS A 29 -6.034 1.267 3.344 1.00 0.00 S ATOM 0 H CYS A 29 -4.885 2.376 6.373 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.176 4.585 5.067 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.732 3.531 3.004 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.991 3.414 3.164 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.868 0.809 2.997 1.00 0.00 H new ATOM 409 N GLU A 30 -8.438 3.302 5.332 1.00 0.00 N ATOM 410 CA GLU A 30 -9.669 2.757 5.893 1.00 0.00 C ATOM 411 C GLU A 30 -10.682 2.456 4.792 1.00 0.00 C ATOM 412 O GLU A 30 -10.634 3.044 3.711 1.00 0.00 O ATOM 413 CB GLU A 30 -10.272 3.736 6.902 1.00 0.00 C ATOM 414 CG GLU A 30 -9.723 3.574 8.310 1.00 0.00 C ATOM 415 CD GLU A 30 -10.407 4.485 9.311 1.00 0.00 C ATOM 416 OE1 GLU A 30 -11.584 4.226 9.640 1.00 0.00 O ATOM 417 OE2 GLU A 30 -9.767 5.455 9.765 1.00 0.00 O ATOM 0 H GLU A 30 -8.578 4.048 4.651 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.425 1.825 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.085 4.755 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.353 3.601 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.843 2.538 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.653 3.784 8.305 1.00 0.00 H new ATOM 424 N VAL A 31 -11.598 1.535 5.074 1.00 0.00 N ATOM 425 CA VAL A 31 -12.623 1.155 4.110 1.00 0.00 C ATOM 426 C VAL A 31 -14.015 1.232 4.728 1.00 0.00 C ATOM 427 O VAL A 31 -14.171 1.627 5.883 1.00 0.00 O ATOM 428 CB VAL A 31 -12.390 -0.270 3.575 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.160 -0.310 2.680 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.254 -1.255 4.726 1.00 0.00 C ATOM 0 H VAL A 31 -11.651 1.038 5.963 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.556 1.862 3.283 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.254 -0.561 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.011 -1.325 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.302 0.365 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.285 0.001 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.090 -2.257 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.408 -0.969 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.166 -1.246 5.323 1.00 0.00 H new ATOM 440 N SER A 32 -15.023 0.853 3.950 1.00 0.00 N ATOM 441 CA SER A 32 -16.404 0.882 4.419 1.00 0.00 C ATOM 442 C SER A 32 -16.706 -0.331 5.293 1.00 0.00 C ATOM 443 O SER A 32 -17.365 -0.216 6.326 1.00 0.00 O ATOM 444 CB SER A 32 -17.368 0.922 3.232 1.00 0.00 C ATOM 445 OG SER A 32 -17.260 -0.253 2.447 1.00 0.00 O ATOM 0 H SER A 32 -14.910 0.522 2.992 1.00 0.00 H new ATOM 0 HA SER A 32 -16.539 1.783 5.018 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.391 1.029 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.155 1.796 2.616 1.00 0.00 H new ATOM 0 HG SER A 32 -18.071 -0.361 1.907 1.00 0.00 H new ATOM 451 N GLU A 33 -16.219 -1.494 4.870 1.00 0.00 N ATOM 452 CA GLU A 33 -16.438 -2.729 5.614 1.00 0.00 C ATOM 453 C GLU A 33 -15.372 -2.912 6.690 1.00 0.00 C ATOM 454 O GLU A 33 -14.520 -2.046 6.890 1.00 0.00 O ATOM 455 CB GLU A 33 -16.433 -3.929 4.665 1.00 0.00 C ATOM 456 CG GLU A 33 -17.803 -4.265 4.101 1.00 0.00 C ATOM 457 CD GLU A 33 -18.695 -4.962 5.110 1.00 0.00 C ATOM 458 OE1 GLU A 33 -19.267 -4.267 5.976 1.00 0.00 O ATOM 459 OE2 GLU A 33 -18.820 -6.202 5.034 1.00 0.00 O ATOM 0 H GLU A 33 -15.671 -1.606 4.017 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.412 -2.663 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.750 -3.726 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.044 -4.799 5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.288 -3.349 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.685 -4.903 3.225 1.00 0.00 H new ATOM 466 N ASP A 34 -15.425 -4.046 7.381 1.00 0.00 N ATOM 467 CA ASP A 34 -14.464 -4.345 8.436 1.00 0.00 C ATOM 468 C ASP A 34 -13.611 -5.555 8.068 1.00 0.00 C ATOM 469 O ASP A 34 -14.041 -6.421 7.306 1.00 0.00 O ATOM 470 CB ASP A 34 -15.190 -4.599 9.758 1.00 0.00 C ATOM 471 CG ASP A 34 -16.094 -5.814 9.697 1.00 0.00 C ATOM 472 OD1 ASP A 34 -15.780 -6.750 8.933 1.00 0.00 O ATOM 473 OD2 ASP A 34 -17.118 -5.829 10.413 1.00 0.00 O ATOM 0 H ASP A 34 -16.124 -4.773 7.229 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.807 -3.483 8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.456 -4.735 10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.782 -3.722 10.019 1.00 0.00 H new ATOM 478 N ASP A 35 -12.401 -5.607 8.614 1.00 0.00 N ATOM 479 CA ASP A 35 -11.487 -6.710 8.343 1.00 0.00 C ATOM 480 C ASP A 35 -11.643 -7.205 6.908 1.00 0.00 C ATOM 481 O ASP A 35 -11.633 -8.409 6.652 1.00 0.00 O ATOM 482 CB ASP A 35 -11.737 -7.859 9.322 1.00 0.00 C ATOM 483 CG ASP A 35 -11.193 -7.568 10.707 1.00 0.00 C ATOM 484 OD1 ASP A 35 -11.659 -6.594 11.334 1.00 0.00 O ATOM 485 OD2 ASP A 35 -10.301 -8.313 11.163 1.00 0.00 O ATOM 0 H ASP A 35 -12.031 -4.898 9.247 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.468 -6.346 8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.808 -8.050 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.275 -8.768 8.937 1.00 0.00 H new ATOM 490 N ALA A 36 -11.788 -6.269 5.977 1.00 0.00 N ATOM 491 CA ALA A 36 -11.945 -6.610 4.568 1.00 0.00 C ATOM 492 C ALA A 36 -10.614 -7.027 3.953 1.00 0.00 C ATOM 493 O ALA A 36 -9.569 -6.948 4.598 1.00 0.00 O ATOM 494 CB ALA A 36 -12.537 -5.435 3.804 1.00 0.00 C ATOM 0 H ALA A 36 -11.800 -5.268 6.172 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.628 -7.456 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.649 -5.703 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.513 -5.185 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.874 -4.574 3.890 1.00 0.00 H new ATOM 500 N ASN A 37 -10.660 -7.472 2.701 1.00 0.00 N ATOM 501 CA ASN A 37 -9.456 -7.904 1.999 1.00 0.00 C ATOM 502 C ASN A 37 -9.150 -6.978 0.826 1.00 0.00 C ATOM 503 O ASN A 37 -9.656 -7.170 -0.280 1.00 0.00 O ATOM 504 CB ASN A 37 -9.619 -9.341 1.500 1.00 0.00 C ATOM 505 CG ASN A 37 -8.451 -9.792 0.646 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.292 -9.659 1.039 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.751 -10.330 -0.531 1.00 0.00 N ATOM 0 H ASN A 37 -11.517 -7.543 2.152 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.622 -7.863 2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.721 -10.010 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.540 -9.420 0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.006 -10.652 -1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.726 -10.421 -0.817 1.00 0.00 H new ATOM 514 N VAL A 38 -8.316 -5.973 1.074 1.00 0.00 N ATOM 515 CA VAL A 38 -7.940 -5.017 0.039 1.00 0.00 C ATOM 516 C VAL A 38 -6.734 -5.511 -0.752 1.00 0.00 C ATOM 517 O VAL A 38 -5.924 -6.290 -0.249 1.00 0.00 O ATOM 518 CB VAL A 38 -7.616 -3.637 0.640 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.690 -3.221 1.634 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.245 -3.652 1.299 1.00 0.00 C ATOM 0 H VAL A 38 -7.888 -5.800 1.983 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.795 -4.921 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.598 -2.904 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.443 -2.243 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.654 -3.168 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.743 -3.953 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.032 -2.669 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.232 -4.397 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.487 -3.901 0.556 1.00 0.00 H new ATOM 530 N LYS A 39 -6.620 -5.053 -1.994 1.00 0.00 N ATOM 531 CA LYS A 39 -5.512 -5.445 -2.857 1.00 0.00 C ATOM 532 C LYS A 39 -4.588 -4.262 -3.128 1.00 0.00 C ATOM 533 O LYS A 39 -4.983 -3.288 -3.768 1.00 0.00 O ATOM 534 CB LYS A 39 -6.042 -6.006 -4.179 1.00 0.00 C ATOM 535 CG LYS A 39 -6.304 -7.501 -4.144 1.00 0.00 C ATOM 536 CD LYS A 39 -5.076 -8.293 -4.561 1.00 0.00 C ATOM 537 CE LYS A 39 -4.006 -8.273 -3.480 1.00 0.00 C ATOM 538 NZ LYS A 39 -2.941 -9.282 -3.736 1.00 0.00 N ATOM 0 H LYS A 39 -7.283 -4.409 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.941 -6.219 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.966 -5.490 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.323 -5.790 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.603 -7.795 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.135 -7.741 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.361 -9.323 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.670 -7.878 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.560 -7.280 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.465 -8.467 -2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.978 -10.019 -3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.089 -9.714 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.011 -8.818 -3.713 1.00 0.00 H new ATOM 552 N TRP A 40 -3.357 -4.355 -2.638 1.00 0.00 N ATOM 553 CA TRP A 40 -2.377 -3.293 -2.829 1.00 0.00 C ATOM 554 C TRP A 40 -1.609 -3.488 -4.131 1.00 0.00 C ATOM 555 O TRP A 40 -1.234 -4.608 -4.480 1.00 0.00 O ATOM 556 CB TRP A 40 -1.403 -3.251 -1.650 1.00 0.00 C ATOM 557 CG TRP A 40 -2.071 -2.967 -0.338 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.772 -3.850 0.432 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.101 -1.715 0.355 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.237 -3.222 1.563 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.837 -1.911 1.539 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.575 -0.447 0.092 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.061 -0.887 2.455 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.799 0.569 1.001 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.536 0.344 2.172 1.00 0.00 C ATOM 0 H TRP A 40 -3.014 -5.155 -2.106 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.912 -2.345 -2.883 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.881 -4.206 -1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.648 -2.487 -1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.937 -4.889 0.188 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.790 -3.660 2.300 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.003 -0.265 -0.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.629 -1.058 3.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.400 1.553 0.806 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.692 1.158 2.864 1.00 0.00 H new ATOM 576 N PHE A 41 -1.377 -2.393 -4.847 1.00 0.00 N ATOM 577 CA PHE A 41 -0.653 -2.445 -6.112 1.00 0.00 C ATOM 578 C PHE A 41 0.412 -1.355 -6.175 1.00 0.00 C ATOM 579 O PHE A 41 0.171 -0.212 -5.785 1.00 0.00 O ATOM 580 CB PHE A 41 -1.624 -2.294 -7.285 1.00 0.00 C ATOM 581 CG PHE A 41 -2.745 -3.293 -7.269 1.00 0.00 C ATOM 582 CD1 PHE A 41 -3.847 -3.104 -6.451 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.697 -4.421 -8.071 1.00 0.00 C ATOM 584 CE1 PHE A 41 -4.880 -4.022 -6.433 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.727 -5.343 -8.058 1.00 0.00 C ATOM 586 CZ PHE A 41 -4.820 -5.143 -7.239 1.00 0.00 C ATOM 0 H PHE A 41 -1.680 -1.458 -4.573 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.159 -3.414 -6.180 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.044 -1.288 -7.271 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.071 -2.395 -8.219 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.899 -2.229 -5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.845 -4.582 -8.714 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.733 -3.864 -5.790 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.677 -6.219 -8.688 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.627 -5.861 -7.228 1.00 0.00 H new ATOM 596 N LYS A 42 1.592 -1.716 -6.667 1.00 0.00 N ATOM 597 CA LYS A 42 2.696 -0.771 -6.783 1.00 0.00 C ATOM 598 C LYS A 42 2.859 -0.298 -8.224 1.00 0.00 C ATOM 599 O LYS A 42 3.469 -0.980 -9.045 1.00 0.00 O ATOM 600 CB LYS A 42 3.997 -1.412 -6.295 1.00 0.00 C ATOM 601 CG LYS A 42 5.143 -0.427 -6.148 1.00 0.00 C ATOM 602 CD LYS A 42 6.487 -1.093 -6.392 1.00 0.00 C ATOM 603 CE LYS A 42 7.515 -0.101 -6.913 1.00 0.00 C ATOM 604 NZ LYS A 42 8.659 -0.784 -7.577 1.00 0.00 N ATOM 0 H LYS A 42 1.809 -2.658 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 42 2.468 0.093 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.817 -1.893 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.290 -2.196 -6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.010 0.395 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.126 0.005 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.847 -1.538 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.367 -1.905 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.038 0.578 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.885 0.506 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.337 -0.073 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.130 -1.413 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.310 -1.343 -8.381 1.00 0.00 H new ATOM 618 N ASN A 43 2.310 0.875 -8.522 1.00 0.00 N ATOM 619 CA ASN A 43 2.396 1.440 -9.864 1.00 0.00 C ATOM 620 C ASN A 43 1.565 0.625 -10.851 1.00 0.00 C ATOM 621 O ASN A 43 1.901 0.529 -12.031 1.00 0.00 O ATOM 622 CB ASN A 43 3.853 1.489 -10.327 1.00 0.00 C ATOM 623 CG ASN A 43 4.119 2.641 -11.278 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.251 3.025 -12.062 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.323 3.196 -11.212 1.00 0.00 N ATOM 0 H ASN A 43 1.801 1.453 -7.853 1.00 0.00 H new ATOM 0 HA ASN A 43 1.998 2.454 -9.830 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.505 1.581 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.107 0.550 -10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.560 3.974 -11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.011 2.844 -10.546 1.00 0.00 H new ATOM 632 N GLY A 44 0.477 0.040 -10.359 1.00 0.00 N ATOM 633 CA GLY A 44 -0.386 -0.758 -11.210 1.00 0.00 C ATOM 634 C GLY A 44 -0.150 -2.246 -11.042 1.00 0.00 C ATOM 635 O GLY A 44 -1.053 -3.052 -11.266 1.00 0.00 O ATOM 0 H GLY A 44 0.178 0.105 -9.386 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.427 -0.530 -10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.220 -0.482 -12.251 1.00 0.00 H new ATOM 639 N GLU A 45 1.066 -2.611 -10.648 1.00 0.00 N ATOM 640 CA GLU A 45 1.417 -4.012 -10.452 1.00 0.00 C ATOM 641 C GLU A 45 0.837 -4.541 -9.144 1.00 0.00 C ATOM 642 O GLU A 45 0.692 -3.799 -8.173 1.00 0.00 O ATOM 643 CB GLU A 45 2.937 -4.186 -10.456 1.00 0.00 C ATOM 644 CG GLU A 45 3.568 -4.057 -9.080 1.00 0.00 C ATOM 645 CD GLU A 45 5.083 -4.050 -9.131 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.640 -3.772 -10.214 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.712 -4.324 -8.087 1.00 0.00 O ATOM 0 H GLU A 45 1.824 -1.956 -10.458 1.00 0.00 H new ATOM 0 HA GLU A 45 0.991 -4.585 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.181 -5.165 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.378 -3.442 -11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.220 -3.137 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.233 -4.883 -8.452 1.00 0.00 H new ATOM 654 N GLU A 46 0.506 -5.829 -9.127 1.00 0.00 N ATOM 655 CA GLU A 46 -0.059 -6.457 -7.939 1.00 0.00 C ATOM 656 C GLU A 46 1.043 -6.909 -6.985 1.00 0.00 C ATOM 657 O GLU A 46 2.047 -7.482 -7.408 1.00 0.00 O ATOM 658 CB GLU A 46 -0.931 -7.651 -8.332 1.00 0.00 C ATOM 659 CG GLU A 46 -1.401 -8.478 -7.146 1.00 0.00 C ATOM 660 CD GLU A 46 -2.105 -9.753 -7.567 1.00 0.00 C ATOM 661 OE1 GLU A 46 -3.305 -9.684 -7.903 1.00 0.00 O ATOM 662 OE2 GLU A 46 -1.455 -10.820 -7.559 1.00 0.00 O ATOM 0 H GLU A 46 0.620 -6.457 -9.923 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.676 -5.718 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.801 -7.290 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.370 -8.292 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.544 -8.730 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.076 -7.879 -6.535 1.00 0.00 H new ATOM 669 N ILE A 47 0.848 -6.646 -5.698 1.00 0.00 N ATOM 670 CA ILE A 47 1.824 -7.025 -4.684 1.00 0.00 C ATOM 671 C ILE A 47 1.465 -8.364 -4.049 1.00 0.00 C ATOM 672 O ILE A 47 0.288 -8.687 -3.881 1.00 0.00 O ATOM 673 CB ILE A 47 1.933 -5.958 -3.579 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.496 -4.655 -4.152 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.806 -6.463 -2.440 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.494 -3.510 -3.163 1.00 0.00 C ATOM 0 H ILE A 47 0.022 -6.172 -5.332 1.00 0.00 H new ATOM 0 HA ILE A 47 2.786 -7.111 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 47 0.936 -5.759 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.517 -4.828 -4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.912 -4.370 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.874 -5.698 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.367 -7.367 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.804 -6.686 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.906 -2.619 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.472 -3.310 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.102 -3.775 -2.298 1.00 0.00 H new ATOM 688 N ILE A 48 2.485 -9.138 -3.696 1.00 0.00 N ATOM 689 CA ILE A 48 2.277 -10.441 -3.076 1.00 0.00 C ATOM 690 C ILE A 48 3.180 -10.622 -1.861 1.00 0.00 C ATOM 691 O ILE A 48 4.328 -11.052 -1.968 1.00 0.00 O ATOM 692 CB ILE A 48 2.539 -11.587 -4.072 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.648 -11.432 -5.306 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.300 -12.933 -3.405 1.00 0.00 C ATOM 695 CD1 ILE A 48 2.246 -10.546 -6.376 1.00 0.00 C ATOM 0 H ILE A 48 3.464 -8.886 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 48 1.235 -10.477 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 48 3.580 -11.541 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.453 -12.417 -5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.686 -11.020 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.489 -13.733 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.972 -13.042 -2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.267 -12.990 -3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.560 -10.482 -7.221 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.416 -9.549 -5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.194 -10.968 -6.710 1.00 0.00 H new ATOM 707 N PRO A 49 2.649 -10.289 -0.675 1.00 0.00 N ATOM 708 CA PRO A 49 3.389 -10.408 0.585 1.00 0.00 C ATOM 709 C PRO A 49 3.620 -11.861 0.986 1.00 0.00 C ATOM 710 O PRO A 49 3.250 -12.782 0.259 1.00 0.00 O ATOM 711 CB PRO A 49 2.479 -9.712 1.599 1.00 0.00 C ATOM 712 CG PRO A 49 1.111 -9.825 1.020 1.00 0.00 C ATOM 713 CD PRO A 49 1.286 -9.770 -0.472 1.00 0.00 C ATOM 0 HA PRO A 49 4.385 -9.970 0.515 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.536 -10.191 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.765 -8.669 1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.635 -10.758 1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.472 -9.013 1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.543 -10.380 -0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.182 -8.753 -0.852 1.00 0.00 H new ATOM 721 N GLY A 50 4.233 -12.059 2.149 1.00 0.00 N ATOM 722 CA GLY A 50 4.502 -13.403 2.627 1.00 0.00 C ATOM 723 C GLY A 50 5.769 -13.482 3.455 1.00 0.00 C ATOM 724 O GLY A 50 6.356 -12.466 3.828 1.00 0.00 O ATOM 0 H GLY A 50 4.548 -11.313 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.659 -13.748 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.586 -14.078 1.775 1.00 0.00 H new ATOM 728 N PRO A 51 6.209 -14.713 3.756 1.00 0.00 N ATOM 729 CA PRO A 51 7.418 -14.949 4.550 1.00 0.00 C ATOM 730 C PRO A 51 8.689 -14.573 3.796 1.00 0.00 C ATOM 731 O PRO A 51 9.665 -14.116 4.391 1.00 0.00 O ATOM 732 CB PRO A 51 7.379 -16.456 4.814 1.00 0.00 C ATOM 733 CG PRO A 51 6.578 -17.018 3.691 1.00 0.00 C ATOM 734 CD PRO A 51 5.559 -15.968 3.344 1.00 0.00 C ATOM 0 HA PRO A 51 7.436 -14.344 5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.383 -16.880 4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.919 -16.677 5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.212 -17.245 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.094 -17.950 3.985 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.327 -15.970 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.621 -16.128 3.875 1.00 0.00 H new ATOM 742 N LYS A 52 8.671 -14.768 2.482 1.00 0.00 N ATOM 743 CA LYS A 52 9.822 -14.448 1.645 1.00 0.00 C ATOM 744 C LYS A 52 9.513 -13.275 0.721 1.00 0.00 C ATOM 745 O LYS A 52 9.844 -13.301 -0.465 1.00 0.00 O ATOM 746 CB LYS A 52 10.231 -15.668 0.817 1.00 0.00 C ATOM 747 CG LYS A 52 10.755 -16.823 1.653 1.00 0.00 C ATOM 748 CD LYS A 52 10.749 -18.126 0.872 1.00 0.00 C ATOM 749 CE LYS A 52 10.668 -19.331 1.797 1.00 0.00 C ATOM 750 NZ LYS A 52 10.634 -20.611 1.038 1.00 0.00 N ATOM 0 H LYS A 52 7.872 -15.146 1.973 1.00 0.00 H new ATOM 0 HA LYS A 52 10.648 -14.166 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.372 -16.009 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.998 -15.371 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.769 -16.602 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.143 -16.932 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.903 -18.136 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.652 -18.192 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.525 -19.331 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.775 -19.253 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.579 -21.408 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.802 -20.623 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.498 -20.698 0.465 1.00 0.00 H new ATOM 764 N SER A 53 8.877 -12.245 1.271 1.00 0.00 N ATOM 765 CA SER A 53 8.522 -11.063 0.496 1.00 0.00 C ATOM 766 C SER A 53 8.959 -9.790 1.214 1.00 0.00 C ATOM 767 O SER A 53 9.324 -9.822 2.390 1.00 0.00 O ATOM 768 CB SER A 53 7.013 -11.027 0.243 1.00 0.00 C ATOM 769 OG SER A 53 6.621 -12.055 -0.649 1.00 0.00 O ATOM 0 H SER A 53 8.597 -12.206 2.251 1.00 0.00 H new ATOM 0 HA SER A 53 9.043 -11.117 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.480 -11.138 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.733 -10.057 -0.169 1.00 0.00 H new ATOM 0 HG SER A 53 5.833 -11.766 -1.154 1.00 0.00 H new ATOM 775 N ARG A 54 8.919 -8.670 0.499 1.00 0.00 N ATOM 776 CA ARG A 54 9.312 -7.386 1.067 1.00 0.00 C ATOM 777 C ARG A 54 8.100 -6.643 1.620 1.00 0.00 C ATOM 778 O ARG A 54 8.196 -5.940 2.626 1.00 0.00 O ATOM 779 CB ARG A 54 10.011 -6.530 0.010 1.00 0.00 C ATOM 780 CG ARG A 54 11.365 -7.072 -0.416 1.00 0.00 C ATOM 781 CD ARG A 54 11.220 -8.214 -1.410 1.00 0.00 C ATOM 782 NE ARG A 54 12.515 -8.688 -1.892 1.00 0.00 N ATOM 783 CZ ARG A 54 12.713 -9.903 -2.392 1.00 0.00 C ATOM 784 NH1 ARG A 54 11.706 -10.761 -2.476 1.00 0.00 N ATOM 785 NH2 ARG A 54 13.921 -10.260 -2.810 1.00 0.00 N ATOM 0 H ARG A 54 8.618 -8.626 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 54 10.005 -7.576 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.368 -6.454 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.140 -5.520 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.954 -6.271 -0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.912 -7.419 0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.685 -9.038 -0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.617 -7.884 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 54 13.311 -8.052 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.776 -10.489 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.861 -11.693 -2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.698 -9.602 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.073 -11.193 -3.194 1.00 0.00 H new ATOM 799 N TYR A 55 6.961 -6.802 0.955 1.00 0.00 N ATOM 800 CA TYR A 55 5.731 -6.144 1.378 1.00 0.00 C ATOM 801 C TYR A 55 4.997 -6.979 2.423 1.00 0.00 C ATOM 802 O TYR A 55 4.873 -8.196 2.286 1.00 0.00 O ATOM 803 CB TYR A 55 4.819 -5.898 0.174 1.00 0.00 C ATOM 804 CG TYR A 55 5.506 -5.188 -0.970 1.00 0.00 C ATOM 805 CD1 TYR A 55 5.534 -3.800 -1.035 1.00 0.00 C ATOM 806 CD2 TYR A 55 6.126 -5.904 -1.986 1.00 0.00 C ATOM 807 CE1 TYR A 55 6.160 -3.146 -2.079 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.755 -5.259 -3.033 1.00 0.00 C ATOM 809 CZ TYR A 55 6.769 -3.880 -3.076 1.00 0.00 C ATOM 810 OH TYR A 55 7.394 -3.234 -4.118 1.00 0.00 O ATOM 0 H TYR A 55 6.864 -7.381 0.121 1.00 0.00 H new ATOM 0 HA TYR A 55 5.997 -5.187 1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.434 -6.854 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.960 -5.308 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.058 -3.223 -0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.116 -6.984 -1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.172 -2.067 -2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.233 -5.831 -3.814 1.00 0.00 H new ATOM 0 HH TYR A 55 7.773 -3.896 -4.733 1.00 0.00 H new ATOM 820 N ARG A 56 4.512 -6.315 3.468 1.00 0.00 N ATOM 821 CA ARG A 56 3.792 -6.994 4.537 1.00 0.00 C ATOM 822 C ARG A 56 2.474 -6.287 4.840 1.00 0.00 C ATOM 823 O ARG A 56 2.462 -5.183 5.386 1.00 0.00 O ATOM 824 CB ARG A 56 4.651 -7.057 5.801 1.00 0.00 C ATOM 825 CG ARG A 56 6.143 -7.130 5.520 1.00 0.00 C ATOM 826 CD ARG A 56 6.948 -7.246 6.805 1.00 0.00 C ATOM 827 NE ARG A 56 6.623 -6.182 7.752 1.00 0.00 N ATOM 828 CZ ARG A 56 6.809 -6.284 9.063 1.00 0.00 C ATOM 829 NH1 ARG A 56 7.314 -7.395 9.580 1.00 0.00 N ATOM 830 NH2 ARG A 56 6.489 -5.272 9.860 1.00 0.00 N ATOM 0 H ARG A 56 4.605 -5.307 3.596 1.00 0.00 H new ATOM 0 HA ARG A 56 3.572 -8.009 4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.448 -6.178 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.357 -7.928 6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.352 -7.987 4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.455 -6.240 4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.755 -8.214 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.012 -7.210 6.571 1.00 0.00 H new ATOM 0 HE ARG A 56 6.232 -5.314 7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.561 -8.175 8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.456 -7.470 10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.100 -4.416 9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.632 -5.351 10.867 1.00 0.00 H new ATOM 844 N ILE A 57 1.368 -6.929 4.481 1.00 0.00 N ATOM 845 CA ILE A 57 0.046 -6.361 4.715 1.00 0.00 C ATOM 846 C ILE A 57 -0.478 -6.738 6.097 1.00 0.00 C ATOM 847 O ILE A 57 -0.302 -7.868 6.552 1.00 0.00 O ATOM 848 CB ILE A 57 -0.964 -6.829 3.651 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.528 -6.362 2.261 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.357 -6.310 3.977 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.174 -7.134 1.133 1.00 0.00 C ATOM 0 H ILE A 57 1.361 -7.842 4.027 1.00 0.00 H new ATOM 0 HA ILE A 57 0.153 -5.278 4.652 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.993 -7.919 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.768 -5.304 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.555 -6.454 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.059 -6.649 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.667 -6.688 4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.344 -5.220 3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.818 -6.748 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.913 -8.189 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.257 -7.022 1.189 1.00 0.00 H new ATOM 863 N ARG A 58 -1.123 -5.783 6.760 1.00 0.00 N ATOM 864 CA ARG A 58 -1.673 -6.015 8.090 1.00 0.00 C ATOM 865 C ARG A 58 -3.099 -5.482 8.189 1.00 0.00 C ATOM 866 O ARG A 58 -3.405 -4.400 7.686 1.00 0.00 O ATOM 867 CB ARG A 58 -0.794 -5.351 9.151 1.00 0.00 C ATOM 868 CG ARG A 58 -1.422 -5.328 10.535 1.00 0.00 C ATOM 869 CD ARG A 58 -0.849 -4.208 11.389 1.00 0.00 C ATOM 870 NE ARG A 58 0.428 -4.579 11.994 1.00 0.00 N ATOM 871 CZ ARG A 58 0.549 -5.482 12.960 1.00 0.00 C ATOM 872 NH1 ARG A 58 -0.524 -6.104 13.429 1.00 0.00 N ATOM 873 NH2 ARG A 58 1.745 -5.765 13.459 1.00 0.00 N ATOM 0 H ARG A 58 -1.277 -4.842 6.398 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.693 -7.091 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.159 -5.877 9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.577 -4.328 8.843 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.501 -5.202 10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.253 -6.285 11.028 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.714 -3.317 10.776 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.560 -3.950 12.174 1.00 0.00 H new ATOM 0 HE ARG A 58 1.273 -4.119 11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.445 -5.889 13.048 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.428 -6.797 14.171 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.573 -5.289 13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.837 -6.459 14.201 1.00 0.00 H new ATOM 887 N VAL A 59 -3.968 -6.248 8.840 1.00 0.00 N ATOM 888 CA VAL A 59 -5.362 -5.853 9.006 1.00 0.00 C ATOM 889 C VAL A 59 -5.657 -5.473 10.453 1.00 0.00 C ATOM 890 O VAL A 59 -5.467 -6.276 11.366 1.00 0.00 O ATOM 891 CB VAL A 59 -6.320 -6.980 8.577 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.766 -6.567 8.802 1.00 0.00 C ATOM 893 CG2 VAL A 59 -6.083 -7.354 7.121 1.00 0.00 C ATOM 0 H VAL A 59 -3.731 -7.146 9.261 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.524 -4.986 8.366 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.119 -7.858 9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.428 -7.376 8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.923 -6.353 9.859 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.985 -5.675 8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.768 -8.152 6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.255 -6.483 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.056 -7.696 6.996 1.00 0.00 H new ATOM 903 N GLU A 60 -6.123 -4.245 10.653 1.00 0.00 N ATOM 904 CA GLU A 60 -6.445 -3.759 11.990 1.00 0.00 C ATOM 905 C GLU A 60 -7.812 -3.081 12.008 1.00 0.00 C ATOM 906 O GLU A 60 -7.960 -1.947 11.555 1.00 0.00 O ATOM 907 CB GLU A 60 -5.372 -2.781 12.473 1.00 0.00 C ATOM 908 CG GLU A 60 -4.221 -3.452 13.203 1.00 0.00 C ATOM 909 CD GLU A 60 -4.685 -4.292 14.377 1.00 0.00 C ATOM 910 OE1 GLU A 60 -5.123 -3.706 15.389 1.00 0.00 O ATOM 911 OE2 GLU A 60 -4.611 -5.535 14.284 1.00 0.00 O ATOM 0 H GLU A 60 -6.286 -3.568 9.907 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.475 -4.616 12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.978 -2.235 11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.832 -2.047 13.135 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.671 -4.083 12.505 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.527 -2.690 13.558 1.00 0.00 H new ATOM 918 N GLY A 61 -8.808 -3.785 12.536 1.00 0.00 N ATOM 919 CA GLY A 61 -10.150 -3.236 12.603 1.00 0.00 C ATOM 920 C GLY A 61 -10.724 -2.937 11.232 1.00 0.00 C ATOM 921 O GLY A 61 -10.972 -3.848 10.442 1.00 0.00 O ATOM 0 H GLY A 61 -8.710 -4.725 12.919 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.802 -3.940 13.121 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.136 -2.321 13.195 1.00 0.00 H new ATOM 925 N LYS A 62 -10.936 -1.657 10.948 1.00 0.00 N ATOM 926 CA LYS A 62 -11.485 -1.239 9.663 1.00 0.00 C ATOM 927 C LYS A 62 -10.469 -0.413 8.881 1.00 0.00 C ATOM 928 O LYS A 62 -10.834 0.378 8.011 1.00 0.00 O ATOM 929 CB LYS A 62 -12.765 -0.427 9.872 1.00 0.00 C ATOM 930 CG LYS A 62 -13.734 -1.061 10.856 1.00 0.00 C ATOM 931 CD LYS A 62 -15.014 -0.251 10.978 1.00 0.00 C ATOM 932 CE LYS A 62 -15.979 -0.561 9.844 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.343 -0.027 10.116 1.00 0.00 N ATOM 0 H LYS A 62 -10.736 -0.890 11.590 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.720 -2.134 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.500 0.569 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.266 -0.300 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.973 -2.074 10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.260 -1.143 11.834 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.492 -0.466 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.775 0.812 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.599 -0.133 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.034 -1.640 9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.971 -0.258 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.716 -0.455 10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.295 1.006 10.230 1.00 0.00 H new ATOM 947 N LYS A 63 -9.191 -0.602 9.195 1.00 0.00 N ATOM 948 CA LYS A 63 -8.121 0.123 8.520 1.00 0.00 C ATOM 949 C LYS A 63 -6.943 -0.799 8.224 1.00 0.00 C ATOM 950 O LYS A 63 -6.543 -1.603 9.066 1.00 0.00 O ATOM 951 CB LYS A 63 -7.657 1.302 9.377 1.00 0.00 C ATOM 952 CG LYS A 63 -6.530 0.953 10.333 1.00 0.00 C ATOM 953 CD LYS A 63 -6.538 1.852 11.558 1.00 0.00 C ATOM 954 CE LYS A 63 -7.613 1.434 12.549 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.494 2.166 13.840 1.00 0.00 N ATOM 0 H LYS A 63 -8.871 -1.252 9.913 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.511 0.500 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.330 2.110 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.504 1.680 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.625 -0.087 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.574 1.046 9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.562 1.818 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.706 2.885 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.596 1.618 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.541 0.362 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.245 1.852 14.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.566 1.970 14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.588 3.188 13.670 1.00 0.00 H new ATOM 969 N HIS A 64 -6.389 -0.676 7.021 1.00 0.00 N ATOM 970 CA HIS A 64 -5.254 -1.497 6.615 1.00 0.00 C ATOM 971 C HIS A 64 -3.950 -0.711 6.719 1.00 0.00 C ATOM 972 O HIS A 64 -3.956 0.520 6.737 1.00 0.00 O ATOM 973 CB HIS A 64 -5.447 -2.000 5.184 1.00 0.00 C ATOM 974 CG HIS A 64 -6.530 -3.026 5.051 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.299 -4.311 4.608 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.857 -2.951 5.307 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.437 -4.981 4.595 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.398 -4.179 5.016 1.00 0.00 N ATOM 0 H HIS A 64 -6.708 -0.016 6.311 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.197 -2.352 7.288 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.679 -1.153 4.538 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.509 -2.425 4.827 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.391 -2.086 5.672 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.561 -6.010 4.292 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.382 -4.431 5.110 1.00 0.00 H new ATOM 987 N ILE A 65 -2.835 -1.431 6.788 1.00 0.00 N ATOM 988 CA ILE A 65 -1.525 -0.801 6.890 1.00 0.00 C ATOM 989 C ILE A 65 -0.477 -1.582 6.104 1.00 0.00 C ATOM 990 O ILE A 65 -0.065 -2.670 6.509 1.00 0.00 O ATOM 991 CB ILE A 65 -1.069 -0.683 8.356 1.00 0.00 C ATOM 992 CG1 ILE A 65 -2.046 0.188 9.148 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.339 -0.110 8.429 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.175 -0.594 9.783 1.00 0.00 C ATOM 0 H ILE A 65 -2.813 -2.451 6.775 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.622 0.199 6.467 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.058 -1.679 8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.498 0.718 9.928 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.466 0.944 8.484 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.647 -0.033 9.472 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.027 -0.766 7.895 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.353 0.880 7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.828 0.088 10.328 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.747 -1.102 9.007 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.764 -1.332 10.472 1.00 0.00 H new ATOM 1006 N LEU A 66 -0.047 -1.019 4.980 1.00 0.00 N ATOM 1007 CA LEU A 66 0.956 -1.661 4.138 1.00 0.00 C ATOM 1008 C LEU A 66 2.355 -1.161 4.479 1.00 0.00 C ATOM 1009 O LEU A 66 2.722 -0.034 4.142 1.00 0.00 O ATOM 1010 CB LEU A 66 0.654 -1.399 2.661 1.00 0.00 C ATOM 1011 CG LEU A 66 1.623 -2.023 1.656 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.468 -3.536 1.636 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.398 -1.444 0.268 1.00 0.00 C ATOM 0 H LEU A 66 -0.377 -0.119 4.631 1.00 0.00 H new ATOM 0 HA LEU A 66 0.919 -2.734 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.349 -1.768 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.639 -0.321 2.500 1.00 0.00 H new ATOM 0 HG LEU A 66 2.641 -1.786 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.165 -3.964 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.680 -3.937 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.448 -3.794 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.096 -1.900 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.376 -1.650 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.560 -0.366 0.293 1.00 0.00 H new ATOM 1025 N ILE A 67 3.134 -2.005 5.147 1.00 0.00 N ATOM 1026 CA ILE A 67 4.494 -1.650 5.531 1.00 0.00 C ATOM 1027 C ILE A 67 5.509 -2.212 4.542 1.00 0.00 C ATOM 1028 O ILE A 67 5.443 -3.384 4.168 1.00 0.00 O ATOM 1029 CB ILE A 67 4.833 -2.161 6.943 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.237 -1.709 7.350 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.722 -3.678 6.998 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.327 -2.666 6.922 1.00 0.00 C ATOM 0 H ILE A 67 2.846 -2.941 5.434 1.00 0.00 H new ATOM 0 HA ILE A 67 4.549 -0.561 5.525 1.00 0.00 H new ATOM 0 HB ILE A 67 4.117 -1.738 7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.434 -0.729 6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.272 -1.591 8.433 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.965 -4.024 8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.705 -3.978 6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.417 -4.120 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.295 -2.282 7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.154 -3.641 7.377 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.319 -2.765 5.837 1.00 0.00 H new ATOM 1044 N ILE A 68 6.448 -1.371 4.123 1.00 0.00 N ATOM 1045 CA ILE A 68 7.479 -1.785 3.179 1.00 0.00 C ATOM 1046 C ILE A 68 8.855 -1.790 3.836 1.00 0.00 C ATOM 1047 O ILE A 68 9.403 -0.737 4.160 1.00 0.00 O ATOM 1048 CB ILE A 68 7.515 -0.864 1.945 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.096 -0.597 1.439 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.367 -1.484 0.847 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.018 0.518 0.421 1.00 0.00 C ATOM 0 H ILE A 68 6.516 -0.398 4.422 1.00 0.00 H new ATOM 0 HA ILE A 68 7.227 -2.796 2.860 1.00 0.00 H new ATOM 0 HB ILE A 68 7.963 0.087 2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.699 -1.511 0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.457 -0.349 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.383 -0.822 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.384 -1.628 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.945 -2.447 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.983 0.652 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.385 1.443 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.630 0.264 -0.444 1.00 0.00 H new ATOM 1063 N GLU A 69 9.409 -2.984 4.028 1.00 0.00 N ATOM 1064 CA GLU A 69 10.722 -3.125 4.646 1.00 0.00 C ATOM 1065 C GLU A 69 11.823 -2.660 3.696 1.00 0.00 C ATOM 1066 O GLU A 69 12.061 -3.274 2.657 1.00 0.00 O ATOM 1067 CB GLU A 69 10.965 -4.580 5.052 1.00 0.00 C ATOM 1068 CG GLU A 69 10.468 -4.914 6.449 1.00 0.00 C ATOM 1069 CD GLU A 69 10.751 -6.351 6.841 1.00 0.00 C ATOM 1070 OE1 GLU A 69 10.738 -7.224 5.949 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.987 -6.602 8.042 1.00 0.00 O ATOM 0 H GLU A 69 8.969 -3.866 3.765 1.00 0.00 H new ATOM 0 HA GLU A 69 10.745 -2.498 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.472 -5.236 4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.033 -4.791 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.941 -4.245 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.395 -4.732 6.502 1.00 0.00 H new ATOM 1078 N GLY A 70 12.491 -1.570 4.063 1.00 0.00 N ATOM 1079 CA GLY A 70 13.557 -1.040 3.233 1.00 0.00 C ATOM 1080 C GLY A 70 13.039 -0.405 1.958 1.00 0.00 C ATOM 1081 O GLY A 70 13.046 -1.031 0.898 1.00 0.00 O ATOM 0 H GLY A 70 12.313 -1.045 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.121 -0.300 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.249 -1.843 2.980 1.00 0.00 H new ATOM 1085 N ALA A 71 12.587 0.840 2.061 1.00 0.00 N ATOM 1086 CA ALA A 71 12.063 1.560 0.906 1.00 0.00 C ATOM 1087 C ALA A 71 13.191 2.183 0.090 1.00 0.00 C ATOM 1088 O ALA A 71 13.620 3.306 0.359 1.00 0.00 O ATOM 1089 CB ALA A 71 11.080 2.631 1.354 1.00 0.00 C ATOM 0 H ALA A 71 12.573 1.371 2.932 1.00 0.00 H new ATOM 0 HA ALA A 71 11.541 0.846 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.697 3.161 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.252 2.165 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.586 3.336 2.013 1.00 0.00 H new ATOM 1095 N THR A 72 13.668 1.447 -0.909 1.00 0.00 N ATOM 1096 CA THR A 72 14.747 1.926 -1.763 1.00 0.00 C ATOM 1097 C THR A 72 14.246 2.984 -2.740 1.00 0.00 C ATOM 1098 O THR A 72 13.044 3.229 -2.843 1.00 0.00 O ATOM 1099 CB THR A 72 15.389 0.773 -2.558 1.00 0.00 C ATOM 1100 OG1 THR A 72 14.370 -0.065 -3.115 1.00 0.00 O ATOM 1101 CG2 THR A 72 16.303 -0.055 -1.667 1.00 0.00 C ATOM 0 H THR A 72 13.324 0.517 -1.146 1.00 0.00 H new ATOM 0 HA THR A 72 15.497 2.367 -1.107 1.00 0.00 H new ATOM 0 HB THR A 72 15.985 1.203 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.786 -0.794 -3.620 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.745 -0.863 -2.250 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.094 0.579 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.725 -0.475 -0.844 1.00 0.00 H new ATOM 1109 N LYS A 73 15.175 3.608 -3.457 1.00 0.00 N ATOM 1110 CA LYS A 73 14.829 4.638 -4.428 1.00 0.00 C ATOM 1111 C LYS A 73 13.868 4.094 -5.481 1.00 0.00 C ATOM 1112 O LYS A 73 12.962 4.794 -5.929 1.00 0.00 O ATOM 1113 CB LYS A 73 16.092 5.176 -5.104 1.00 0.00 C ATOM 1114 CG LYS A 73 16.710 6.362 -4.383 1.00 0.00 C ATOM 1115 CD LYS A 73 16.147 7.679 -4.891 1.00 0.00 C ATOM 1116 CE LYS A 73 16.590 8.846 -4.022 1.00 0.00 C ATOM 1117 NZ LYS A 73 17.944 9.336 -4.399 1.00 0.00 N ATOM 0 H LYS A 73 16.174 3.417 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 73 14.334 5.451 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.829 4.376 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.851 5.468 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.525 6.275 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.791 6.350 -4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.474 7.844 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.058 7.629 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.871 9.660 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.593 8.539 -2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.209 10.131 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.635 8.567 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.935 9.653 -5.390 1.00 0.00 H new ATOM 1131 N ALA A 74 14.073 2.839 -5.869 1.00 0.00 N ATOM 1132 CA ALA A 74 13.224 2.200 -6.866 1.00 0.00 C ATOM 1133 C ALA A 74 11.796 2.045 -6.353 1.00 0.00 C ATOM 1134 O ALA A 74 10.834 2.246 -7.095 1.00 0.00 O ATOM 1135 CB ALA A 74 13.796 0.845 -7.257 1.00 0.00 C ATOM 0 H ALA A 74 14.820 2.245 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 74 13.198 2.839 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.151 0.379 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.795 0.978 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.852 0.206 -6.376 1.00 0.00 H new ATOM 1141 N ASP A 75 11.666 1.687 -5.080 1.00 0.00 N ATOM 1142 CA ASP A 75 10.355 1.505 -4.468 1.00 0.00 C ATOM 1143 C ASP A 75 9.466 2.720 -4.716 1.00 0.00 C ATOM 1144 O ASP A 75 8.267 2.584 -4.960 1.00 0.00 O ATOM 1145 CB ASP A 75 10.500 1.263 -2.964 1.00 0.00 C ATOM 1146 CG ASP A 75 10.973 -0.142 -2.647 1.00 0.00 C ATOM 1147 OD1 ASP A 75 11.564 -0.785 -3.540 1.00 0.00 O ATOM 1148 OD2 ASP A 75 10.754 -0.598 -1.506 1.00 0.00 O ATOM 0 H ASP A 75 12.452 1.517 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 75 9.886 0.634 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.206 1.983 -2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.541 1.439 -2.476 1.00 0.00 H new ATOM 1153 N ALA A 76 10.062 3.906 -4.653 1.00 0.00 N ATOM 1154 CA ALA A 76 9.325 5.144 -4.872 1.00 0.00 C ATOM 1155 C ALA A 76 8.415 5.033 -6.091 1.00 0.00 C ATOM 1156 O ALA A 76 8.833 5.307 -7.216 1.00 0.00 O ATOM 1157 CB ALA A 76 10.288 6.311 -5.034 1.00 0.00 C ATOM 0 H ALA A 76 11.054 4.035 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 76 8.698 5.324 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.723 7.229 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.892 6.412 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.939 6.129 -5.889 1.00 0.00 H new ATOM 1163 N ALA A 77 7.170 4.629 -5.860 1.00 0.00 N ATOM 1164 CA ALA A 77 6.202 4.483 -6.940 1.00 0.00 C ATOM 1165 C ALA A 77 4.790 4.800 -6.457 1.00 0.00 C ATOM 1166 O ALA A 77 4.559 4.980 -5.262 1.00 0.00 O ATOM 1167 CB ALA A 77 6.262 3.076 -7.516 1.00 0.00 C ATOM 0 H ALA A 77 6.808 4.397 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 77 6.458 5.195 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.534 2.981 -8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.262 2.885 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.034 2.352 -6.733 1.00 0.00 H new ATOM 1173 N GLU A 78 3.850 4.866 -7.395 1.00 0.00 N ATOM 1174 CA GLU A 78 2.462 5.163 -7.064 1.00 0.00 C ATOM 1175 C GLU A 78 1.758 3.926 -6.512 1.00 0.00 C ATOM 1176 O GLU A 78 1.345 3.045 -7.267 1.00 0.00 O ATOM 1177 CB GLU A 78 1.719 5.678 -8.299 1.00 0.00 C ATOM 1178 CG GLU A 78 0.286 6.099 -8.015 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.364 6.789 -9.199 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.761 6.084 -10.150 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -0.475 8.032 -9.174 1.00 0.00 O ATOM 0 H GLU A 78 4.025 4.718 -8.389 1.00 0.00 H new ATOM 0 HA GLU A 78 2.455 5.937 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.263 6.527 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.716 4.899 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.300 5.221 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.272 6.769 -7.156 1.00 0.00 H new ATOM 1188 N TYR A 79 1.625 3.868 -5.192 1.00 0.00 N ATOM 1189 CA TYR A 79 0.975 2.739 -4.538 1.00 0.00 C ATOM 1190 C TYR A 79 -0.535 2.948 -4.464 1.00 0.00 C ATOM 1191 O TYR A 79 -1.016 3.835 -3.759 1.00 0.00 O ATOM 1192 CB TYR A 79 1.543 2.541 -3.132 1.00 0.00 C ATOM 1193 CG TYR A 79 3.027 2.251 -3.113 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.956 3.272 -3.267 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.499 0.955 -2.943 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.313 3.012 -3.252 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.854 0.686 -2.925 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.757 1.717 -3.080 1.00 0.00 C ATOM 1199 OH TYR A 79 7.107 1.453 -3.064 1.00 0.00 O ATOM 0 H TYR A 79 1.959 4.590 -4.554 1.00 0.00 H new ATOM 0 HA TYR A 79 1.172 1.846 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.349 3.436 -2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.015 1.719 -2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.612 4.287 -3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.795 0.145 -2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.022 3.818 -3.374 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.204 -0.327 -2.790 1.00 0.00 H new ATOM 0 HH TYR A 79 7.469 1.544 -3.970 1.00 0.00 H new ATOM 1209 N SER A 80 -1.276 2.124 -5.196 1.00 0.00 N ATOM 1210 CA SER A 80 -2.731 2.219 -5.218 1.00 0.00 C ATOM 1211 C SER A 80 -3.368 0.911 -4.756 1.00 0.00 C ATOM 1212 O SER A 80 -2.887 -0.175 -5.080 1.00 0.00 O ATOM 1213 CB SER A 80 -3.220 2.569 -6.624 1.00 0.00 C ATOM 1214 OG SER A 80 -2.620 3.765 -7.090 1.00 0.00 O ATOM 0 H SER A 80 -0.893 1.382 -5.782 1.00 0.00 H new ATOM 0 HA SER A 80 -3.029 3.011 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.988 1.752 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.304 2.681 -6.618 1.00 0.00 H new ATOM 0 HG SER A 80 -2.697 3.811 -8.066 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.453 1.024 -3.997 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.158 -0.148 -3.491 1.00 0.00 C ATOM 1222 C VAL A 81 -6.428 -0.414 -4.292 1.00 0.00 C ATOM 1223 O VAL A 81 -6.925 0.465 -4.996 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.526 0.017 -2.005 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.402 0.709 -1.249 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.829 0.789 -1.862 1.00 0.00 C ATOM 0 H VAL A 81 -4.863 1.915 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.481 -0.995 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.667 -0.973 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.681 0.816 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.493 0.113 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.226 1.694 -1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.074 0.896 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.718 1.776 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.630 0.248 -2.367 1.00 0.00 H new ATOM 1236 N MET A 82 -6.948 -1.631 -4.178 1.00 0.00 N ATOM 1237 CA MET A 82 -8.162 -2.012 -4.891 1.00 0.00 C ATOM 1238 C MET A 82 -9.041 -2.910 -4.026 1.00 0.00 C ATOM 1239 O MET A 82 -8.583 -3.925 -3.501 1.00 0.00 O ATOM 1240 CB MET A 82 -7.809 -2.729 -6.196 1.00 0.00 C ATOM 1241 CG MET A 82 -8.830 -2.514 -7.302 1.00 0.00 C ATOM 1242 SD MET A 82 -8.521 -3.554 -8.743 1.00 0.00 S ATOM 1243 CE MET A 82 -8.595 -5.185 -8.006 1.00 0.00 C ATOM 0 H MET A 82 -6.549 -2.370 -3.599 1.00 0.00 H new ATOM 0 HA MET A 82 -8.718 -1.103 -5.123 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.834 -2.382 -6.540 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.716 -3.797 -6.001 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.828 -2.722 -6.916 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.817 -1.467 -7.605 1.00 0.00 H new ATOM 0 HE1 MET A 82 -8.761 -5.929 -8.785 1.00 0.00 H new ATOM 0 HE2 MET A 82 -7.655 -5.397 -7.497 1.00 0.00 H new ATOM 0 HE3 MET A 82 -9.414 -5.223 -7.287 1.00 0.00 H new ATOM 1253 N THR A 83 -10.306 -2.529 -3.880 1.00 0.00 N ATOM 1254 CA THR A 83 -11.249 -3.298 -3.078 1.00 0.00 C ATOM 1255 C THR A 83 -12.413 -3.798 -3.925 1.00 0.00 C ATOM 1256 O THR A 83 -12.436 -3.609 -5.142 1.00 0.00 O ATOM 1257 CB THR A 83 -11.801 -2.464 -1.907 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.458 -1.294 -2.406 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.684 -2.059 -0.956 1.00 0.00 C ATOM 0 H THR A 83 -10.701 -1.691 -4.307 1.00 0.00 H new ATOM 0 HA THR A 83 -10.701 -4.152 -2.680 1.00 0.00 H new ATOM 0 HB THR A 83 -12.517 -3.077 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.335 -1.203 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.099 -1.471 -0.137 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.206 -2.953 -0.555 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.947 -1.463 -1.494 1.00 0.00 H new ATOM 1267 N THR A 84 -13.382 -4.436 -3.275 1.00 0.00 N ATOM 1268 CA THR A 84 -14.550 -4.962 -3.969 1.00 0.00 C ATOM 1269 C THR A 84 -15.337 -3.846 -4.645 1.00 0.00 C ATOM 1270 O THR A 84 -15.980 -4.061 -5.672 1.00 0.00 O ATOM 1271 CB THR A 84 -15.481 -5.721 -3.005 1.00 0.00 C ATOM 1272 OG1 THR A 84 -16.023 -4.818 -2.034 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.733 -6.842 -2.300 1.00 0.00 C ATOM 0 H THR A 84 -13.380 -4.601 -2.268 1.00 0.00 H new ATOM 0 HA THR A 84 -14.182 -5.653 -4.727 1.00 0.00 H new ATOM 0 HB THR A 84 -16.292 -6.157 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.823 -5.214 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.411 -7.363 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.347 -7.543 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.904 -6.424 -1.730 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.282 -2.652 -4.063 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.995 -1.519 -4.624 1.00 0.00 C ATOM 1283 C GLY A 85 -15.331 -0.197 -4.296 1.00 0.00 C ATOM 1284 O GLY A 85 -16.008 0.798 -4.039 1.00 0.00 O ATOM 0 H GLY A 85 -14.756 -2.449 -3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.057 -1.632 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.017 -1.513 -4.245 1.00 0.00 H new ATOM 1288 N GLY A 86 -14.002 -0.185 -4.303 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.268 1.030 -4.000 1.00 0.00 C ATOM 1290 C GLY A 86 -11.836 0.981 -4.494 1.00 0.00 C ATOM 1291 O GLY A 86 -11.293 -0.097 -4.734 1.00 0.00 O ATOM 0 H GLY A 86 -13.420 -0.996 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.777 1.881 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.272 1.194 -2.922 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.224 2.151 -4.646 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.847 2.236 -5.117 1.00 0.00 C ATOM 1297 C GLN A 87 -9.187 3.526 -4.639 1.00 0.00 C ATOM 1298 O GLN A 87 -9.838 4.565 -4.533 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.801 2.162 -6.644 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.470 3.342 -7.331 1.00 0.00 C ATOM 1301 CD GLN A 87 -11.971 3.366 -7.121 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -12.609 2.319 -7.003 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -12.543 4.563 -7.073 1.00 0.00 N ATOM 0 H GLN A 87 -11.660 3.052 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.296 1.391 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.761 2.107 -6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.284 1.241 -6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.039 4.269 -6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.257 3.304 -8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.975 5.404 -7.176 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.550 4.642 -6.934 1.00 0.00 H new ATOM 1312 N SER A 88 -7.891 3.451 -4.352 1.00 0.00 N ATOM 1313 CA SER A 88 -7.144 4.611 -3.882 1.00 0.00 C ATOM 1314 C SER A 88 -5.717 4.593 -4.419 1.00 0.00 C ATOM 1315 O SER A 88 -5.151 3.530 -4.673 1.00 0.00 O ATOM 1316 CB SER A 88 -7.125 4.646 -2.352 1.00 0.00 C ATOM 1317 OG SER A 88 -6.942 5.968 -1.875 1.00 0.00 O ATOM 0 H SER A 88 -7.337 2.599 -4.437 1.00 0.00 H new ATOM 0 HA SER A 88 -7.642 5.507 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.060 4.242 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.324 4.008 -1.980 1.00 0.00 H new ATOM 0 HG SER A 88 -6.089 6.320 -2.206 1.00 0.00 H new ATOM 1323 N SER A 89 -5.140 5.778 -4.589 1.00 0.00 N ATOM 1324 CA SER A 89 -3.779 5.900 -5.100 1.00 0.00 C ATOM 1325 C SER A 89 -3.009 6.978 -4.343 1.00 0.00 C ATOM 1326 O SER A 89 -3.576 7.993 -3.939 1.00 0.00 O ATOM 1327 CB SER A 89 -3.800 6.226 -6.595 1.00 0.00 C ATOM 1328 OG SER A 89 -4.674 5.357 -7.294 1.00 0.00 O ATOM 0 H SER A 89 -5.593 6.668 -4.380 1.00 0.00 H new ATOM 0 HA SER A 89 -3.274 4.945 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.116 7.259 -6.741 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.793 6.140 -7.003 1.00 0.00 H new ATOM 0 HG SER A 89 -4.220 4.506 -7.466 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.714 6.750 -4.157 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.864 7.702 -3.451 1.00 0.00 C ATOM 1336 C ALA A 90 0.485 7.853 -4.145 1.00 0.00 C ATOM 1337 O ALA A 90 0.808 7.105 -5.068 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.672 7.267 -2.006 1.00 0.00 C ATOM 0 H ALA A 90 -1.230 5.914 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.359 8.673 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.036 7.987 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.641 7.218 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.202 6.284 -1.981 1.00 0.00 H new ATOM 1344 N LYS A 91 1.271 8.826 -3.695 1.00 0.00 N ATOM 1345 CA LYS A 91 2.587 9.075 -4.271 1.00 0.00 C ATOM 1346 C LYS A 91 3.679 8.926 -3.218 1.00 0.00 C ATOM 1347 O LYS A 91 3.612 9.533 -2.148 1.00 0.00 O ATOM 1348 CB LYS A 91 2.641 10.477 -4.882 1.00 0.00 C ATOM 1349 CG LYS A 91 2.013 10.564 -6.263 1.00 0.00 C ATOM 1350 CD LYS A 91 2.227 11.932 -6.888 1.00 0.00 C ATOM 1351 CE LYS A 91 1.227 12.199 -8.002 1.00 0.00 C ATOM 1352 NZ LYS A 91 -0.125 12.524 -7.468 1.00 0.00 N ATOM 0 H LYS A 91 1.019 9.455 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 91 2.759 8.336 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.132 11.174 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.681 10.797 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.442 9.797 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.945 10.359 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.134 12.702 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.240 11.998 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.582 13.025 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.161 11.324 -8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.737 12.847 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.539 11.676 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.045 13.277 -6.755 1.00 0.00 H new ATOM 1366 N LEU A 92 4.686 8.116 -3.527 1.00 0.00 N ATOM 1367 CA LEU A 92 5.795 7.888 -2.607 1.00 0.00 C ATOM 1368 C LEU A 92 7.114 8.346 -3.220 1.00 0.00 C ATOM 1369 O LEU A 92 7.497 7.896 -4.300 1.00 0.00 O ATOM 1370 CB LEU A 92 5.879 6.406 -2.235 1.00 0.00 C ATOM 1371 CG LEU A 92 6.748 6.066 -1.024 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.372 6.939 0.164 1.00 0.00 C ATOM 1373 CD2 LEU A 92 6.615 4.593 -0.669 1.00 0.00 C ATOM 0 H LEU A 92 4.757 7.606 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 92 5.613 8.473 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.869 6.042 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.260 5.857 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 92 7.789 6.265 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.001 6.683 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.520 7.988 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.326 6.772 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.240 4.369 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.575 4.368 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.934 3.985 -1.515 1.00 0.00 H new ATOM 1385 N SER A 93 7.806 9.241 -2.523 1.00 0.00 N ATOM 1386 CA SER A 93 9.083 9.761 -2.999 1.00 0.00 C ATOM 1387 C SER A 93 10.218 9.355 -2.064 1.00 0.00 C ATOM 1388 O SER A 93 10.294 9.815 -0.925 1.00 0.00 O ATOM 1389 CB SER A 93 9.024 11.285 -3.118 1.00 0.00 C ATOM 1390 OG SER A 93 8.555 11.680 -4.395 1.00 0.00 O ATOM 0 H SER A 93 7.504 9.622 -1.626 1.00 0.00 H new ATOM 0 HA SER A 93 9.277 9.334 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.368 11.688 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.015 11.705 -2.945 1.00 0.00 H new ATOM 0 HG SER A 93 8.525 12.658 -4.444 1.00 0.00 H new ATOM 1396 N VAL A 94 11.099 8.489 -2.555 1.00 0.00 N ATOM 1397 CA VAL A 94 12.232 8.021 -1.765 1.00 0.00 C ATOM 1398 C VAL A 94 13.472 8.867 -2.028 1.00 0.00 C ATOM 1399 O VAL A 94 13.979 8.913 -3.150 1.00 0.00 O ATOM 1400 CB VAL A 94 12.556 6.546 -2.069 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.753 6.083 -1.252 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.344 5.668 -1.799 1.00 0.00 C ATOM 0 H VAL A 94 11.050 8.097 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 94 11.948 8.115 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 94 12.811 6.458 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.967 5.039 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.621 6.694 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.530 6.184 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.591 4.629 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.055 5.758 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.516 5.986 -2.432 1.00 0.00 H new ATOM 1412 N ASP A 95 13.958 9.535 -0.987 1.00 0.00 N ATOM 1413 CA ASP A 95 15.141 10.379 -1.105 1.00 0.00 C ATOM 1414 C ASP A 95 16.310 9.788 -0.323 1.00 0.00 C ATOM 1415 O ASP A 95 16.125 8.914 0.525 1.00 0.00 O ATOM 1416 CB ASP A 95 14.837 11.792 -0.603 1.00 0.00 C ATOM 1417 CG ASP A 95 14.306 12.694 -1.700 1.00 0.00 C ATOM 1418 OD1 ASP A 95 13.634 12.179 -2.617 1.00 0.00 O ATOM 1419 OD2 ASP A 95 14.563 13.915 -1.640 1.00 0.00 O ATOM 0 H ASP A 95 13.551 9.508 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 95 15.419 10.428 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.107 11.738 0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.744 12.229 -0.184 1.00 0.00 H new ATOM 1424 N LEU A 96 17.513 10.271 -0.613 1.00 0.00 N ATOM 1425 CA LEU A 96 18.713 9.790 0.063 1.00 0.00 C ATOM 1426 C LEU A 96 19.102 10.718 1.209 1.00 0.00 C ATOM 1427 O LEU A 96 19.598 11.823 0.986 1.00 0.00 O ATOM 1428 CB LEU A 96 19.870 9.675 -0.931 1.00 0.00 C ATOM 1429 CG LEU A 96 19.980 8.349 -1.684 1.00 0.00 C ATOM 1430 CD1 LEU A 96 21.003 8.454 -2.804 1.00 0.00 C ATOM 1431 CD2 LEU A 96 20.346 7.222 -0.729 1.00 0.00 C ATOM 0 H LEU A 96 17.683 10.995 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 96 18.497 8.805 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 96 19.775 10.478 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 96 20.803 9.842 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 96 19.010 8.123 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 96 21.067 7.501 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 96 20.699 9.233 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 21.978 8.704 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 96 20.420 6.286 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 96 21.304 7.441 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 96 19.577 7.130 0.038 1.00 0.00 H new ATOM 1443 N LYS A 97 18.876 10.262 2.436 1.00 0.00 N ATOM 1444 CA LYS A 97 19.206 11.049 3.618 1.00 0.00 C ATOM 1445 C LYS A 97 20.709 11.291 3.709 1.00 0.00 C ATOM 1446 O LYS A 97 21.487 10.711 2.952 1.00 0.00 O ATOM 1447 CB LYS A 97 18.715 10.339 4.882 1.00 0.00 C ATOM 1448 CG LYS A 97 18.344 11.288 6.008 1.00 0.00 C ATOM 1449 CD LYS A 97 17.275 10.693 6.909 1.00 0.00 C ATOM 1450 CE LYS A 97 17.140 11.477 8.206 1.00 0.00 C ATOM 1451 NZ LYS A 97 16.604 12.846 7.972 1.00 0.00 N ATOM 0 H LYS A 97 18.465 9.350 2.638 1.00 0.00 H new ATOM 0 HA LYS A 97 18.706 12.014 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.847 9.729 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 97 19.492 9.660 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.231 11.519 6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.986 12.229 5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.319 10.686 6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.523 9.656 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.481 10.940 8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.113 11.546 8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.527 13.348 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.246 13.367 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.664 12.780 7.532 1.00 0.00 H new ATOM 1465 N SER A 98 21.110 12.149 4.641 1.00 0.00 N ATOM 1466 CA SER A 98 22.521 12.469 4.830 1.00 0.00 C ATOM 1467 C SER A 98 23.370 11.201 4.829 1.00 0.00 C ATOM 1468 O SER A 98 24.521 11.212 4.395 1.00 0.00 O ATOM 1469 CB SER A 98 22.722 13.230 6.142 1.00 0.00 C ATOM 1470 OG SER A 98 22.264 12.471 7.247 1.00 0.00 O ATOM 0 H SER A 98 20.478 12.635 5.277 1.00 0.00 H new ATOM 0 HA SER A 98 22.840 13.100 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.778 13.465 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 98 22.187 14.179 6.101 1.00 0.00 H new ATOM 0 HG SER A 98 22.405 12.978 8.073 1.00 0.00 H new ATOM 1476 N GLY A 99 22.792 10.108 5.318 1.00 0.00 N ATOM 1477 CA GLY A 99 23.509 8.847 5.365 1.00 0.00 C ATOM 1478 C GLY A 99 22.612 7.684 5.739 1.00 0.00 C ATOM 1479 O GLY A 99 21.705 7.811 6.562 1.00 0.00 O ATOM 0 H GLY A 99 21.840 10.073 5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 99 23.963 8.654 4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.322 8.922 6.087 1.00 0.00 H new ATOM 1483 N PRO A 100 22.861 6.518 5.123 1.00 0.00 N ATOM 1484 CA PRO A 100 22.078 5.305 5.379 1.00 0.00 C ATOM 1485 C PRO A 100 22.330 4.736 6.772 1.00 0.00 C ATOM 1486 O PRO A 100 23.473 4.656 7.223 1.00 0.00 O ATOM 1487 CB PRO A 100 22.573 4.332 4.306 1.00 0.00 C ATOM 1488 CG PRO A 100 23.947 4.799 3.975 1.00 0.00 C ATOM 1489 CD PRO A 100 23.925 6.295 4.131 1.00 0.00 C ATOM 0 HA PRO A 100 21.005 5.495 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 100 22.582 3.307 4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 100 21.927 4.349 3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 100 24.683 4.348 4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 100 24.221 4.517 2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 100 24.885 6.677 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 100 23.706 6.794 3.187 1.00 0.00 H new ATOM 1497 N SER A 101 21.256 4.342 7.448 1.00 0.00 N ATOM 1498 CA SER A 101 21.360 3.783 8.791 1.00 0.00 C ATOM 1499 C SER A 101 21.662 2.288 8.735 1.00 0.00 C ATOM 1500 O SER A 101 21.302 1.606 7.776 1.00 0.00 O ATOM 1501 CB SER A 101 20.066 4.025 9.569 1.00 0.00 C ATOM 1502 OG SER A 101 20.244 3.761 10.950 1.00 0.00 O ATOM 0 H SER A 101 20.303 4.399 7.088 1.00 0.00 H new ATOM 0 HA SER A 101 22.182 4.283 9.303 1.00 0.00 H new ATOM 0 HB2 SER A 101 19.743 5.057 9.432 1.00 0.00 H new ATOM 0 HB3 SER A 101 19.275 3.388 9.173 1.00 0.00 H new ATOM 0 HG SER A 101 19.403 3.925 11.425 1.00 0.00 H new ATOM 1508 N SER A 102 22.326 1.786 9.771 1.00 0.00 N ATOM 1509 CA SER A 102 22.681 0.373 9.840 1.00 0.00 C ATOM 1510 C SER A 102 21.432 -0.502 9.803 1.00 0.00 C ATOM 1511 O SER A 102 20.455 -0.240 10.504 1.00 0.00 O ATOM 1512 CB SER A 102 23.480 0.088 11.113 1.00 0.00 C ATOM 1513 OG SER A 102 22.637 0.069 12.251 1.00 0.00 O ATOM 0 H SER A 102 22.629 2.337 10.574 1.00 0.00 H new ATOM 0 HA SER A 102 23.297 0.135 8.973 1.00 0.00 H new ATOM 0 HB2 SER A 102 23.990 -0.871 11.019 1.00 0.00 H new ATOM 0 HB3 SER A 102 24.251 0.848 11.240 1.00 0.00 H new ATOM 0 HG SER A 102 23.172 -0.117 13.051 1.00 0.00 H new ATOM 1519 N GLY A 103 21.472 -1.545 8.980 1.00 0.00 N ATOM 1520 CA GLY A 103 20.339 -2.445 8.865 1.00 0.00 C ATOM 1521 C GLY A 103 20.202 -3.361 10.065 1.00 0.00 C ATOM 1522 O GLY A 103 19.354 -4.252 10.081 1.00 0.00 O ATOM 0 H GLY A 103 22.269 -1.783 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 103 19.425 -1.861 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 103 20.447 -3.047 7.963 1.00 0.00 H new TER 1526 GLY A 103