USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 435 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 38 GLN : amide:sc= 0.051 K(o=0.24,f=-0.74) USER MOD Set 1.2: A 42 SER OG : rot -93:sc= 0.192 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.671 USER MOD Single : A 3 SER OG : rot 14:sc= 0.444 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 10 THR OG1 : rot 39:sc= 0.328 USER MOD Single : A 12 GLN : amide:sc= -0.881 K(o=-0.88,f=-1.7) USER MOD Single : A 13 GLN : amide:sc= -0.612 K(o=-0.61,f=-2) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.644! C(o=-0.64!,f=-0.64!) USER MOD Single : A 32 LYS NZ :NH3+ -131:sc= -0.144 (180deg=-0.393) USER MOD Single : A 34 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.13) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= -0.434 (180deg=-1.48!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=-0.043) USER MOD Single : A 48 SER OG : rot 13:sc= 0.0563 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00333 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -150:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 36:sc= 0.0906 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.855 -18.964 -40.787 1.00 0.00 N ATOM 2 CA GLY A 1 -8.230 -18.914 -39.386 1.00 0.00 C ATOM 3 C GLY A 1 -7.206 -18.187 -38.537 1.00 0.00 C ATOM 4 O GLY A 1 -6.096 -18.680 -38.334 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.587 -19.471 -41.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.762 -17.996 -41.156 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.947 -19.461 -40.886 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.196 -18.418 -39.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.354 -19.929 -39.010 1.00 0.00 H new ATOM 8 N SER A 2 -7.578 -17.012 -38.041 1.00 0.00 N ATOM 9 CA SER A 2 -6.681 -16.213 -37.213 1.00 0.00 C ATOM 10 C SER A 2 -7.442 -15.090 -36.515 1.00 0.00 C ATOM 11 O SER A 2 -7.906 -14.148 -37.156 1.00 0.00 O ATOM 12 CB SER A 2 -5.553 -15.628 -38.065 1.00 0.00 C ATOM 13 OG SER A 2 -6.067 -14.790 -39.086 1.00 0.00 O ATOM 0 H SER A 2 -8.494 -16.592 -38.198 1.00 0.00 H new ATOM 0 HA SER A 2 -6.252 -16.864 -36.452 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.872 -15.059 -37.432 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.973 -16.436 -38.511 1.00 0.00 H new ATOM 0 HG SER A 2 -6.930 -14.422 -38.803 1.00 0.00 H new ATOM 19 N SER A 3 -7.566 -15.199 -35.196 1.00 0.00 N ATOM 20 CA SER A 3 -8.273 -14.195 -34.409 1.00 0.00 C ATOM 21 C SER A 3 -7.738 -14.148 -32.981 1.00 0.00 C ATOM 22 O SER A 3 -7.068 -15.074 -32.527 1.00 0.00 O ATOM 23 CB SER A 3 -9.774 -14.493 -34.394 1.00 0.00 C ATOM 24 OG SER A 3 -10.390 -14.067 -35.597 1.00 0.00 O ATOM 0 H SER A 3 -7.186 -15.972 -34.650 1.00 0.00 H new ATOM 0 HA SER A 3 -8.107 -13.223 -34.872 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.934 -15.563 -34.258 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.239 -13.991 -33.546 1.00 0.00 H new ATOM 0 HG SER A 3 -9.701 -13.875 -36.267 1.00 0.00 H new ATOM 30 N GLY A 4 -8.041 -13.061 -32.278 1.00 0.00 N ATOM 31 CA GLY A 4 -7.583 -12.911 -30.909 1.00 0.00 C ATOM 32 C GLY A 4 -6.925 -11.568 -30.661 1.00 0.00 C ATOM 33 O GLY A 4 -5.898 -11.252 -31.261 1.00 0.00 O ATOM 0 H GLY A 4 -8.595 -12.282 -32.632 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.429 -13.028 -30.231 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.876 -13.707 -30.677 1.00 0.00 H new ATOM 37 N SER A 5 -7.520 -10.775 -29.776 1.00 0.00 N ATOM 38 CA SER A 5 -6.989 -9.456 -29.453 1.00 0.00 C ATOM 39 C SER A 5 -7.135 -9.160 -27.964 1.00 0.00 C ATOM 40 O SER A 5 -8.246 -9.004 -27.457 1.00 0.00 O ATOM 41 CB SER A 5 -7.706 -8.380 -30.272 1.00 0.00 C ATOM 42 OG SER A 5 -7.261 -8.382 -31.617 1.00 0.00 O ATOM 0 H SER A 5 -8.370 -11.023 -29.270 1.00 0.00 H new ATOM 0 HA SER A 5 -5.928 -9.447 -29.704 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.782 -8.552 -30.241 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.527 -7.401 -29.828 1.00 0.00 H new ATOM 0 HG SER A 5 -7.735 -7.687 -32.120 1.00 0.00 H new ATOM 48 N SER A 6 -6.006 -9.083 -27.268 1.00 0.00 N ATOM 49 CA SER A 6 -6.007 -8.810 -25.835 1.00 0.00 C ATOM 50 C SER A 6 -4.893 -7.835 -25.467 1.00 0.00 C ATOM 51 O SER A 6 -4.040 -7.509 -26.292 1.00 0.00 O ATOM 52 CB SER A 6 -5.844 -10.111 -25.047 1.00 0.00 C ATOM 53 OG SER A 6 -4.524 -10.615 -25.162 1.00 0.00 O ATOM 0 H SER A 6 -5.078 -9.206 -27.673 1.00 0.00 H new ATOM 0 HA SER A 6 -6.963 -8.355 -25.577 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.080 -9.936 -23.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.553 -10.853 -25.413 1.00 0.00 H new ATOM 0 HG SER A 6 -4.445 -11.446 -24.648 1.00 0.00 H new ATOM 59 N GLY A 7 -4.907 -7.373 -24.221 1.00 0.00 N ATOM 60 CA GLY A 7 -3.894 -6.440 -23.764 1.00 0.00 C ATOM 61 C GLY A 7 -4.319 -4.995 -23.931 1.00 0.00 C ATOM 62 O GLY A 7 -3.620 -4.206 -24.566 1.00 0.00 O ATOM 0 H GLY A 7 -5.602 -7.628 -23.519 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.675 -6.632 -22.714 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.971 -6.610 -24.318 1.00 0.00 H new ATOM 66 N GLN A 8 -5.468 -4.648 -23.360 1.00 0.00 N ATOM 67 CA GLN A 8 -5.986 -3.288 -23.451 1.00 0.00 C ATOM 68 C GLN A 8 -6.028 -2.628 -22.077 1.00 0.00 C ATOM 69 O GLN A 8 -7.067 -2.572 -21.420 1.00 0.00 O ATOM 70 CB GLN A 8 -7.385 -3.293 -24.070 1.00 0.00 C ATOM 71 CG GLN A 8 -7.442 -3.952 -25.439 1.00 0.00 C ATOM 72 CD GLN A 8 -8.716 -3.624 -26.192 1.00 0.00 C ATOM 73 OE1 GLN A 8 -9.733 -3.276 -25.592 1.00 0.00 O ATOM 74 NE2 GLN A 8 -8.667 -3.733 -27.515 1.00 0.00 N ATOM 0 H GLN A 8 -6.058 -5.290 -22.830 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.315 -2.713 -24.090 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.069 -3.811 -23.398 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.739 -2.266 -24.155 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.583 -3.631 -26.029 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.362 -5.033 -25.321 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.803 -4.025 -27.971 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.494 -3.525 -28.075 1.00 0.00 H new ATOM 83 N PRO A 9 -4.871 -2.117 -21.630 1.00 0.00 N ATOM 84 CA PRO A 9 -4.750 -1.451 -20.329 1.00 0.00 C ATOM 85 C PRO A 9 -5.470 -0.107 -20.296 1.00 0.00 C ATOM 86 O PRO A 9 -5.167 0.791 -21.083 1.00 0.00 O ATOM 87 CB PRO A 9 -3.240 -1.253 -20.172 1.00 0.00 C ATOM 88 CG PRO A 9 -2.715 -1.221 -21.566 1.00 0.00 C ATOM 89 CD PRO A 9 -3.593 -2.148 -22.360 1.00 0.00 C ATOM 0 HA PRO A 9 -5.203 -2.035 -19.528 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.015 -0.327 -19.643 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.792 -2.065 -19.599 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.747 -0.210 -21.972 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.675 -1.545 -21.599 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.710 -1.808 -23.389 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.179 -3.155 -22.402 1.00 0.00 H new ATOM 97 N THR A 10 -6.424 0.025 -19.381 1.00 0.00 N ATOM 98 CA THR A 10 -7.188 1.259 -19.246 1.00 0.00 C ATOM 99 C THR A 10 -7.618 1.484 -17.801 1.00 0.00 C ATOM 100 O THR A 10 -8.270 0.632 -17.198 1.00 0.00 O ATOM 101 CB THR A 10 -8.438 1.248 -20.146 1.00 0.00 C ATOM 102 OG1 THR A 10 -9.301 0.168 -19.772 1.00 0.00 O ATOM 103 CG2 THR A 10 -8.049 1.108 -21.610 1.00 0.00 C ATOM 0 H THR A 10 -6.687 -0.708 -18.722 1.00 0.00 H new ATOM 0 HA THR A 10 -6.532 2.072 -19.558 1.00 0.00 H new ATOM 0 HB THR A 10 -8.962 2.195 -20.014 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.313 0.082 -18.796 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.948 1.103 -22.226 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.415 1.946 -21.900 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.505 0.175 -21.754 1.00 0.00 H new ATOM 111 N ALA A 11 -7.250 2.637 -17.251 1.00 0.00 N ATOM 112 CA ALA A 11 -7.601 2.974 -15.877 1.00 0.00 C ATOM 113 C ALA A 11 -7.595 4.484 -15.665 1.00 0.00 C ATOM 114 O ALA A 11 -6.751 5.193 -16.212 1.00 0.00 O ATOM 115 CB ALA A 11 -6.643 2.299 -14.907 1.00 0.00 C ATOM 0 H ALA A 11 -6.709 3.353 -17.736 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.610 2.610 -15.685 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.917 2.559 -13.885 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.699 1.218 -15.033 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.626 2.635 -15.107 1.00 0.00 H new ATOM 121 N GLN A 12 -8.542 4.969 -14.867 1.00 0.00 N ATOM 122 CA GLN A 12 -8.645 6.395 -14.584 1.00 0.00 C ATOM 123 C GLN A 12 -8.657 6.653 -13.081 1.00 0.00 C ATOM 124 O GLN A 12 -9.672 6.450 -12.416 1.00 0.00 O ATOM 125 CB GLN A 12 -9.910 6.973 -15.222 1.00 0.00 C ATOM 126 CG GLN A 12 -9.786 8.440 -15.600 1.00 0.00 C ATOM 127 CD GLN A 12 -9.102 9.263 -14.525 1.00 0.00 C ATOM 128 OE1 GLN A 12 -7.874 9.336 -14.470 1.00 0.00 O ATOM 129 NE2 GLN A 12 -9.896 9.888 -13.664 1.00 0.00 N ATOM 0 H GLN A 12 -9.248 4.395 -14.406 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.772 6.888 -15.012 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.153 6.396 -16.114 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.743 6.854 -14.529 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.225 8.526 -16.530 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.779 8.848 -15.788 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.909 9.799 -13.747 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.493 10.457 -12.919 1.00 0.00 H new ATOM 138 N GLN A 13 -7.522 7.100 -12.554 1.00 0.00 N ATOM 139 CA GLN A 13 -7.402 7.384 -11.128 1.00 0.00 C ATOM 140 C GLN A 13 -6.200 8.280 -10.851 1.00 0.00 C ATOM 141 O GLN A 13 -5.300 8.401 -11.682 1.00 0.00 O ATOM 142 CB GLN A 13 -7.275 6.081 -10.337 1.00 0.00 C ATOM 143 CG GLN A 13 -5.905 5.433 -10.447 1.00 0.00 C ATOM 144 CD GLN A 13 -5.763 4.576 -11.690 1.00 0.00 C ATOM 145 OE1 GLN A 13 -5.595 5.090 -12.796 1.00 0.00 O ATOM 146 NE2 GLN A 13 -5.829 3.262 -11.514 1.00 0.00 N ATOM 0 H GLN A 13 -6.673 7.273 -13.092 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.303 7.908 -10.810 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.490 6.281 -9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.030 5.377 -10.689 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.140 6.209 -10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.726 4.819 -9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.969 2.879 -10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.739 2.635 -12.314 1.00 0.00 H new ATOM 155 N GLN A 14 -6.193 8.907 -9.679 1.00 0.00 N ATOM 156 CA GLN A 14 -5.102 9.793 -9.293 1.00 0.00 C ATOM 157 C GLN A 14 -4.788 9.656 -7.807 1.00 0.00 C ATOM 158 O GLN A 14 -5.653 9.289 -7.011 1.00 0.00 O ATOM 159 CB GLN A 14 -5.456 11.245 -9.620 1.00 0.00 C ATOM 160 CG GLN A 14 -5.716 11.490 -11.098 1.00 0.00 C ATOM 161 CD GLN A 14 -5.354 12.897 -11.529 1.00 0.00 C ATOM 162 OE1 GLN A 14 -4.180 13.271 -11.547 1.00 0.00 O ATOM 163 NE2 GLN A 14 -6.362 13.687 -11.881 1.00 0.00 N ATOM 0 H GLN A 14 -6.931 8.818 -8.980 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.217 9.506 -9.860 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.341 11.531 -9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.643 11.892 -9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.142 10.775 -11.687 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.769 11.308 -11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.319 13.336 -11.851 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.179 14.644 -12.181 1.00 0.00 H new ATOM 172 N LEU A 15 -3.546 9.953 -7.440 1.00 0.00 N ATOM 173 CA LEU A 15 -3.118 9.862 -6.048 1.00 0.00 C ATOM 174 C LEU A 15 -1.690 10.373 -5.884 1.00 0.00 C ATOM 175 O LEU A 15 -0.921 10.420 -6.845 1.00 0.00 O ATOM 176 CB LEU A 15 -3.214 8.417 -5.557 1.00 0.00 C ATOM 177 CG LEU A 15 -2.102 7.475 -6.019 1.00 0.00 C ATOM 178 CD1 LEU A 15 -2.095 6.206 -5.182 1.00 0.00 C ATOM 179 CD2 LEU A 15 -2.264 7.142 -7.495 1.00 0.00 C ATOM 0 H LEU A 15 -2.818 10.259 -8.086 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.780 10.487 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.226 8.425 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.169 8.006 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.145 7.980 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.297 5.548 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.929 6.461 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.054 5.698 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.464 6.471 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.227 6.657 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.217 8.059 -8.082 1.00 0.00 H new ATOM 191 N THR A 16 -1.340 10.753 -4.659 1.00 0.00 N ATOM 192 CA THR A 16 -0.005 11.259 -4.368 1.00 0.00 C ATOM 193 C THR A 16 1.069 10.314 -4.896 1.00 0.00 C ATOM 194 O THR A 16 0.914 9.093 -4.848 1.00 0.00 O ATOM 195 CB THR A 16 0.203 11.459 -2.855 1.00 0.00 C ATOM 196 OG1 THR A 16 1.441 12.137 -2.616 1.00 0.00 O ATOM 197 CG2 THR A 16 0.201 10.123 -2.127 1.00 0.00 C ATOM 0 H THR A 16 -1.963 10.720 -3.852 1.00 0.00 H new ATOM 0 HA THR A 16 0.083 12.222 -4.870 1.00 0.00 H new ATOM 0 HB THR A 16 -0.620 12.063 -2.474 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.565 12.262 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.350 10.290 -1.060 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.754 9.623 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.006 9.498 -2.512 1.00 0.00 H new ATOM 205 N LYS A 17 2.158 10.885 -5.399 1.00 0.00 N ATOM 206 CA LYS A 17 3.259 10.093 -5.934 1.00 0.00 C ATOM 207 C LYS A 17 3.436 8.801 -5.143 1.00 0.00 C ATOM 208 O LYS A 17 3.137 8.729 -3.951 1.00 0.00 O ATOM 209 CB LYS A 17 4.558 10.903 -5.905 1.00 0.00 C ATOM 210 CG LYS A 17 4.930 11.405 -4.521 1.00 0.00 C ATOM 211 CD LYS A 17 5.867 12.599 -4.594 1.00 0.00 C ATOM 212 CE LYS A 17 5.114 13.880 -4.917 1.00 0.00 C ATOM 213 NZ LYS A 17 4.429 14.439 -3.718 1.00 0.00 N ATOM 0 H LYS A 17 2.302 11.894 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 17 3.020 9.836 -6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.370 10.286 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.460 11.755 -6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.026 11.683 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.405 10.602 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.388 12.712 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.627 12.421 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.809 14.619 -5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.378 13.682 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.927 15.311 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.747 13.744 -3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.134 14.652 -2.983 1.00 0.00 H new ATOM 227 N PRO A 18 3.933 7.755 -5.820 1.00 0.00 N ATOM 228 CA PRO A 18 4.162 6.447 -5.199 1.00 0.00 C ATOM 229 C PRO A 18 5.314 6.474 -4.200 1.00 0.00 C ATOM 230 O PRO A 18 6.483 6.485 -4.585 1.00 0.00 O ATOM 231 CB PRO A 18 4.507 5.546 -6.388 1.00 0.00 C ATOM 232 CG PRO A 18 5.050 6.472 -7.421 1.00 0.00 C ATOM 233 CD PRO A 18 4.311 7.770 -7.243 1.00 0.00 C ATOM 0 HA PRO A 18 3.297 6.110 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.240 4.789 -6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.626 5.018 -6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.123 6.613 -7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.898 6.071 -8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.941 8.627 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.436 7.826 -7.891 1.00 0.00 H new ATOM 241 N ALA A 19 4.976 6.484 -2.915 1.00 0.00 N ATOM 242 CA ALA A 19 5.982 6.506 -1.860 1.00 0.00 C ATOM 243 C ALA A 19 6.475 5.099 -1.542 1.00 0.00 C ATOM 244 O ALA A 19 7.670 4.816 -1.620 1.00 0.00 O ATOM 245 CB ALA A 19 5.421 7.167 -0.610 1.00 0.00 C ATOM 0 H ALA A 19 4.013 6.477 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 19 6.832 7.088 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.183 7.177 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.125 8.190 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.552 6.608 -0.262 1.00 0.00 H new ATOM 251 N LYS A 20 5.546 4.219 -1.181 1.00 0.00 N ATOM 252 CA LYS A 20 5.885 2.840 -0.851 1.00 0.00 C ATOM 253 C LYS A 20 4.857 1.874 -1.429 1.00 0.00 C ATOM 254 O LYS A 20 3.688 2.223 -1.594 1.00 0.00 O ATOM 255 CB LYS A 20 5.971 2.664 0.667 1.00 0.00 C ATOM 256 CG LYS A 20 6.908 1.549 1.098 1.00 0.00 C ATOM 257 CD LYS A 20 8.361 1.995 1.056 1.00 0.00 C ATOM 258 CE LYS A 20 8.695 2.917 2.218 1.00 0.00 C ATOM 259 NZ LYS A 20 10.075 3.466 2.111 1.00 0.00 N ATOM 0 H LYS A 20 4.552 4.437 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 20 6.856 2.615 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.304 3.600 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.974 2.461 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.654 1.229 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.772 0.686 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.012 1.121 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.558 2.508 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.979 3.738 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.593 2.371 3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.264 4.090 2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.761 2.684 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.165 4.009 1.228 1.00 0.00 H new ATOM 273 N ILE A 21 5.299 0.658 -1.732 1.00 0.00 N ATOM 274 CA ILE A 21 4.415 -0.359 -2.288 1.00 0.00 C ATOM 275 C ILE A 21 4.637 -1.709 -1.614 1.00 0.00 C ATOM 276 O ILE A 21 5.775 -2.116 -1.373 1.00 0.00 O ATOM 277 CB ILE A 21 4.622 -0.515 -3.806 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.477 0.838 -4.504 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.631 -1.520 -4.375 1.00 0.00 C ATOM 280 CD1 ILE A 21 4.876 0.811 -5.963 1.00 0.00 C ATOM 0 H ILE A 21 6.264 0.353 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 21 3.394 -0.026 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 21 5.631 -0.888 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.442 1.169 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.088 1.574 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.790 -1.619 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.778 -2.488 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.614 -1.174 -4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.748 1.804 -6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.920 0.510 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.248 0.099 -6.499 1.00 0.00 H new ATOM 292 N THR A 22 3.543 -2.402 -1.313 1.00 0.00 N ATOM 293 CA THR A 22 3.618 -3.706 -0.668 1.00 0.00 C ATOM 294 C THR A 22 2.526 -4.638 -1.183 1.00 0.00 C ATOM 295 O THR A 22 1.463 -4.188 -1.610 1.00 0.00 O ATOM 296 CB THR A 22 3.493 -3.584 0.862 1.00 0.00 C ATOM 297 OG1 THR A 22 2.485 -2.625 1.197 1.00 0.00 O ATOM 298 CG2 THR A 22 4.819 -3.171 1.482 1.00 0.00 C ATOM 0 H THR A 22 2.594 -2.081 -1.506 1.00 0.00 H new ATOM 0 HA THR A 22 4.594 -4.124 -0.913 1.00 0.00 H new ATOM 0 HB THR A 22 3.212 -4.559 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.411 -2.555 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.706 -3.091 2.563 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.577 -3.919 1.251 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.125 -2.206 1.077 1.00 0.00 H new ATOM 306 N CYS A 23 2.795 -5.938 -1.139 1.00 0.00 N ATOM 307 CA CYS A 23 1.836 -6.934 -1.601 1.00 0.00 C ATOM 308 C CYS A 23 0.522 -6.820 -0.834 1.00 0.00 C ATOM 309 O CYS A 23 0.516 -6.655 0.386 1.00 0.00 O ATOM 310 CB CYS A 23 2.413 -8.342 -1.440 1.00 0.00 C ATOM 311 SG CYS A 23 1.286 -9.672 -1.968 1.00 0.00 S ATOM 0 H CYS A 23 3.670 -6.327 -0.788 1.00 0.00 H new ATOM 0 HA CYS A 23 1.638 -6.749 -2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.336 -8.413 -2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.677 -8.498 -0.394 1.00 0.00 H new ATOM 316 N ALA A 24 -0.589 -6.910 -1.557 1.00 0.00 N ATOM 317 CA ALA A 24 -1.909 -6.819 -0.945 1.00 0.00 C ATOM 318 C ALA A 24 -2.327 -8.156 -0.343 1.00 0.00 C ATOM 319 O ALA A 24 -3.506 -8.385 -0.075 1.00 0.00 O ATOM 320 CB ALA A 24 -2.935 -6.355 -1.969 1.00 0.00 C ATOM 0 H ALA A 24 -0.601 -7.046 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.860 -6.086 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.916 -6.292 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.651 -5.374 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.974 -7.067 -2.794 1.00 0.00 H new ATOM 326 N ASN A 25 -1.354 -9.036 -0.133 1.00 0.00 N ATOM 327 CA ASN A 25 -1.622 -10.352 0.437 1.00 0.00 C ATOM 328 C ASN A 25 -0.725 -10.615 1.642 1.00 0.00 C ATOM 329 O ASN A 25 -1.207 -10.806 2.759 1.00 0.00 O ATOM 330 CB ASN A 25 -1.411 -11.440 -0.618 1.00 0.00 C ATOM 331 CG ASN A 25 -2.177 -12.710 -0.299 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.338 -12.861 -0.680 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.528 -13.631 0.405 1.00 0.00 N ATOM 0 H ASN A 25 -0.372 -8.862 -0.349 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.660 -10.373 0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.725 -11.064 -1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.348 -11.669 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.992 -14.506 0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.566 -13.463 0.700 1.00 0.00 H new ATOM 340 N CYS A 26 0.583 -10.625 1.408 1.00 0.00 N ATOM 341 CA CYS A 26 1.549 -10.865 2.473 1.00 0.00 C ATOM 342 C CYS A 26 2.025 -9.549 3.083 1.00 0.00 C ATOM 343 O CYS A 26 2.621 -9.531 4.160 1.00 0.00 O ATOM 344 CB CYS A 26 2.746 -11.654 1.937 1.00 0.00 C ATOM 345 SG CYS A 26 3.531 -10.908 0.472 1.00 0.00 S ATOM 0 H CYS A 26 0.998 -10.470 0.489 1.00 0.00 H new ATOM 0 HA CYS A 26 1.057 -11.449 3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.490 -11.746 2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.420 -12.664 1.687 1.00 0.00 H new ATOM 350 N LYS A 27 1.758 -8.450 2.386 1.00 0.00 N ATOM 351 CA LYS A 27 2.157 -7.129 2.857 1.00 0.00 C ATOM 352 C LYS A 27 3.675 -7.028 2.973 1.00 0.00 C ATOM 353 O LYS A 27 4.200 -6.544 3.975 1.00 0.00 O ATOM 354 CB LYS A 27 1.511 -6.832 4.212 1.00 0.00 C ATOM 355 CG LYS A 27 0.037 -6.475 4.118 1.00 0.00 C ATOM 356 CD LYS A 27 -0.162 -5.060 3.601 1.00 0.00 C ATOM 357 CE LYS A 27 -1.638 -4.718 3.469 1.00 0.00 C ATOM 358 NZ LYS A 27 -1.854 -3.509 2.626 1.00 0.00 N ATOM 0 H LYS A 27 1.267 -8.448 1.492 1.00 0.00 H new ATOM 0 HA LYS A 27 1.816 -6.393 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.625 -7.703 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.046 -6.010 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.467 -7.179 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.425 -6.573 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.317 -4.353 4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.325 -4.954 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.169 -5.564 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.062 -4.551 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.872 -3.309 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.368 -2.696 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.472 -3.677 1.673 1.00 0.00 H new ATOM 372 N LYS A 28 4.374 -7.486 1.940 1.00 0.00 N ATOM 373 CA LYS A 28 5.831 -7.444 1.923 1.00 0.00 C ATOM 374 C LYS A 28 6.333 -6.234 1.142 1.00 0.00 C ATOM 375 O LYS A 28 5.742 -5.822 0.143 1.00 0.00 O ATOM 376 CB LYS A 28 6.392 -8.729 1.309 1.00 0.00 C ATOM 377 CG LYS A 28 6.646 -9.829 2.325 1.00 0.00 C ATOM 378 CD LYS A 28 7.098 -11.115 1.654 1.00 0.00 C ATOM 379 CE LYS A 28 7.331 -12.222 2.671 1.00 0.00 C ATOM 380 NZ LYS A 28 8.700 -12.161 3.253 1.00 0.00 N ATOM 0 H LYS A 28 3.954 -7.891 1.103 1.00 0.00 H new ATOM 0 HA LYS A 28 6.178 -7.358 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.695 -9.096 0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.325 -8.499 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.406 -9.502 3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.736 -10.016 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.346 -11.434 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.017 -10.932 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.593 -12.143 3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.182 -13.191 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.819 -12.932 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.404 -12.262 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.834 -11.247 3.730 1.00 0.00 H new ATOM 394 N PRO A 29 7.448 -5.651 1.605 1.00 0.00 N ATOM 395 CA PRO A 29 8.054 -4.481 0.962 1.00 0.00 C ATOM 396 C PRO A 29 8.674 -4.817 -0.390 1.00 0.00 C ATOM 397 O PRO A 29 9.820 -5.262 -0.466 1.00 0.00 O ATOM 398 CB PRO A 29 9.138 -4.053 1.955 1.00 0.00 C ATOM 399 CG PRO A 29 9.479 -5.295 2.703 1.00 0.00 C ATOM 400 CD PRO A 29 8.205 -6.089 2.790 1.00 0.00 C ATOM 0 HA PRO A 29 7.318 -3.705 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.010 -3.649 1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.775 -3.274 2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.256 -5.860 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.861 -5.060 3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.398 -7.162 2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.663 -5.880 3.713 1.00 0.00 H new ATOM 408 N LEU A 30 7.910 -4.602 -1.455 1.00 0.00 N ATOM 409 CA LEU A 30 8.384 -4.883 -2.806 1.00 0.00 C ATOM 410 C LEU A 30 9.374 -3.818 -3.267 1.00 0.00 C ATOM 411 O LEU A 30 9.296 -2.663 -2.850 1.00 0.00 O ATOM 412 CB LEU A 30 7.204 -4.953 -3.777 1.00 0.00 C ATOM 413 CG LEU A 30 6.023 -5.818 -3.337 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.777 -5.468 -4.136 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.357 -7.295 -3.487 1.00 0.00 C ATOM 0 H LEU A 30 6.960 -4.234 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 30 8.894 -5.846 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.842 -3.940 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.568 -5.329 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 30 5.823 -5.616 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.947 -6.094 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.525 -4.419 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.964 -5.639 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.504 -7.895 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.585 -7.512 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.222 -7.537 -2.869 1.00 0.00 H new ATOM 427 N GLN A 31 10.302 -4.216 -4.131 1.00 0.00 N ATOM 428 CA GLN A 31 11.307 -3.295 -4.650 1.00 0.00 C ATOM 429 C GLN A 31 11.154 -3.116 -6.157 1.00 0.00 C ATOM 430 O GLN A 31 10.745 -4.037 -6.865 1.00 0.00 O ATOM 431 CB GLN A 31 12.712 -3.803 -4.325 1.00 0.00 C ATOM 432 CG GLN A 31 13.186 -3.430 -2.929 1.00 0.00 C ATOM 433 CD GLN A 31 12.849 -1.998 -2.562 1.00 0.00 C ATOM 434 OE1 GLN A 31 13.436 -1.055 -3.091 1.00 0.00 O ATOM 435 NE2 GLN A 31 11.898 -1.829 -1.650 1.00 0.00 N ATOM 0 H GLN A 31 10.379 -5.169 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 31 11.159 -2.328 -4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.730 -4.888 -4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.413 -3.402 -5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.731 -4.104 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.265 -3.573 -2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.437 -2.640 -1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.628 -0.888 -1.363 1.00 0.00 H new ATOM 444 N LYS A 32 11.487 -1.925 -6.643 1.00 0.00 N ATOM 445 CA LYS A 32 11.388 -1.624 -8.067 1.00 0.00 C ATOM 446 C LYS A 32 12.015 -2.736 -8.902 1.00 0.00 C ATOM 447 O LYS A 32 11.614 -2.971 -10.042 1.00 0.00 O ATOM 448 CB LYS A 32 12.073 -0.292 -8.376 1.00 0.00 C ATOM 449 CG LYS A 32 13.587 -0.346 -8.265 1.00 0.00 C ATOM 450 CD LYS A 32 14.065 0.138 -6.906 1.00 0.00 C ATOM 451 CE LYS A 32 15.474 -0.347 -6.605 1.00 0.00 C ATOM 452 NZ LYS A 32 15.518 -1.819 -6.383 1.00 0.00 N ATOM 0 H LYS A 32 11.828 -1.152 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 32 10.332 -1.551 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.802 0.021 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.694 0.469 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.928 -1.368 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.032 0.268 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.040 1.227 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.384 -0.217 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.133 -0.085 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.853 0.165 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.045 -2.023 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.549 -2.186 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.991 -2.277 -7.188 1.00 0.00 H new ATOM 466 N GLY A 33 13.000 -3.419 -8.327 1.00 0.00 N ATOM 467 CA GLY A 33 13.664 -4.499 -9.033 1.00 0.00 C ATOM 468 C GLY A 33 12.799 -5.739 -9.143 1.00 0.00 C ATOM 469 O GLY A 33 12.727 -6.360 -10.203 1.00 0.00 O ATOM 0 H GLY A 33 13.350 -3.244 -7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.938 -4.161 -10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.590 -4.751 -8.517 1.00 0.00 H new ATOM 473 N GLN A 34 12.142 -6.100 -8.046 1.00 0.00 N ATOM 474 CA GLN A 34 11.280 -7.275 -8.024 1.00 0.00 C ATOM 475 C GLN A 34 10.099 -7.102 -8.974 1.00 0.00 C ATOM 476 O GLN A 34 9.891 -6.025 -9.533 1.00 0.00 O ATOM 477 CB GLN A 34 10.773 -7.536 -6.604 1.00 0.00 C ATOM 478 CG GLN A 34 11.878 -7.871 -5.616 1.00 0.00 C ATOM 479 CD GLN A 34 12.640 -9.126 -5.995 1.00 0.00 C ATOM 480 OE1 GLN A 34 12.281 -10.231 -5.588 1.00 0.00 O ATOM 481 NE2 GLN A 34 13.699 -8.961 -6.780 1.00 0.00 N ATOM 0 H GLN A 34 12.190 -5.596 -7.161 1.00 0.00 H new ATOM 0 HA GLN A 34 11.868 -8.131 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.236 -6.655 -6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.057 -8.357 -6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.573 -7.033 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.446 -7.999 -4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.960 -8.026 -7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.251 -9.769 -7.069 1.00 0.00 H new ATOM 490 N THR A 35 9.328 -8.170 -9.153 1.00 0.00 N ATOM 491 CA THR A 35 8.169 -8.137 -10.036 1.00 0.00 C ATOM 492 C THR A 35 6.872 -8.279 -9.248 1.00 0.00 C ATOM 493 O THR A 35 6.785 -9.080 -8.318 1.00 0.00 O ATOM 494 CB THR A 35 8.238 -9.253 -11.095 1.00 0.00 C ATOM 495 OG1 THR A 35 9.412 -9.093 -11.900 1.00 0.00 O ATOM 496 CG2 THR A 35 7.003 -9.234 -11.983 1.00 0.00 C ATOM 0 H THR A 35 9.486 -9.069 -8.698 1.00 0.00 H new ATOM 0 HA THR A 35 8.182 -7.169 -10.537 1.00 0.00 H new ATOM 0 HB THR A 35 8.280 -10.212 -10.578 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.449 -9.807 -12.570 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.075 -10.031 -12.723 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.113 -9.385 -11.372 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.935 -8.272 -12.491 1.00 0.00 H new ATOM 504 N ALA A 36 5.866 -7.498 -9.626 1.00 0.00 N ATOM 505 CA ALA A 36 4.573 -7.539 -8.955 1.00 0.00 C ATOM 506 C ALA A 36 3.463 -7.923 -9.928 1.00 0.00 C ATOM 507 O ALA A 36 3.456 -7.489 -11.080 1.00 0.00 O ATOM 508 CB ALA A 36 4.270 -6.196 -8.309 1.00 0.00 C ATOM 0 H ALA A 36 5.922 -6.829 -10.394 1.00 0.00 H new ATOM 0 HA ALA A 36 4.619 -8.301 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.301 -6.242 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.043 -5.962 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.248 -5.421 -9.075 1.00 0.00 H new ATOM 514 N TYR A 37 2.526 -8.738 -9.456 1.00 0.00 N ATOM 515 CA TYR A 37 1.412 -9.183 -10.286 1.00 0.00 C ATOM 516 C TYR A 37 0.196 -8.281 -10.095 1.00 0.00 C ATOM 517 O TYR A 37 -0.010 -7.720 -9.019 1.00 0.00 O ATOM 518 CB TYR A 37 1.045 -10.629 -9.951 1.00 0.00 C ATOM 519 CG TYR A 37 2.052 -11.641 -10.451 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.257 -11.837 -9.786 1.00 0.00 C ATOM 521 CD2 TYR A 37 1.800 -12.399 -11.587 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.180 -12.759 -10.239 1.00 0.00 C ATOM 523 CE2 TYR A 37 2.717 -13.324 -12.047 1.00 0.00 C ATOM 524 CZ TYR A 37 3.906 -13.500 -11.369 1.00 0.00 C ATOM 525 OH TYR A 37 4.822 -14.420 -11.825 1.00 0.00 O ATOM 0 H TYR A 37 2.515 -9.104 -8.504 1.00 0.00 H new ATOM 0 HA TYR A 37 1.724 -9.126 -11.329 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.948 -10.729 -8.870 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.070 -10.856 -10.381 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.475 -11.259 -8.900 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.871 -12.263 -12.120 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.112 -12.899 -9.711 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.505 -13.906 -12.932 1.00 0.00 H new ATOM 0 HH TYR A 37 4.474 -14.857 -12.630 1.00 0.00 H new ATOM 535 N GLN A 38 -0.605 -8.148 -11.147 1.00 0.00 N ATOM 536 CA GLN A 38 -1.800 -7.314 -11.095 1.00 0.00 C ATOM 537 C GLN A 38 -2.882 -7.856 -12.024 1.00 0.00 C ATOM 538 O GLN A 38 -2.584 -8.444 -13.064 1.00 0.00 O ATOM 539 CB GLN A 38 -1.459 -5.873 -11.477 1.00 0.00 C ATOM 540 CG GLN A 38 -2.662 -4.943 -11.476 1.00 0.00 C ATOM 541 CD GLN A 38 -2.343 -3.577 -12.052 1.00 0.00 C ATOM 542 OE1 GLN A 38 -1.191 -3.275 -12.364 1.00 0.00 O ATOM 543 NE2 GLN A 38 -3.366 -2.742 -12.196 1.00 0.00 N ATOM 0 H GLN A 38 -0.449 -8.606 -12.045 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.181 -7.331 -10.074 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.712 -5.489 -10.782 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.006 -5.866 -12.468 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.468 -5.397 -12.052 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.026 -4.827 -10.455 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.305 -3.034 -11.924 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.213 -1.809 -12.578 1.00 0.00 H new ATOM 552 N ARG A 39 -4.139 -7.655 -11.641 1.00 0.00 N ATOM 553 CA ARG A 39 -5.265 -8.125 -12.438 1.00 0.00 C ATOM 554 C ARG A 39 -5.732 -7.045 -13.409 1.00 0.00 C ATOM 555 O ARG A 39 -6.171 -5.971 -12.996 1.00 0.00 O ATOM 556 CB ARG A 39 -6.422 -8.543 -11.529 1.00 0.00 C ATOM 557 CG ARG A 39 -6.058 -9.646 -10.548 1.00 0.00 C ATOM 558 CD ARG A 39 -7.297 -10.331 -9.994 1.00 0.00 C ATOM 559 NE ARG A 39 -8.174 -9.395 -9.296 1.00 0.00 N ATOM 560 CZ ARG A 39 -9.037 -9.759 -8.354 1.00 0.00 C ATOM 561 NH1 ARG A 39 -9.138 -11.033 -8.000 1.00 0.00 N ATOM 562 NH2 ARG A 39 -9.801 -8.848 -7.764 1.00 0.00 N ATOM 0 H ARG A 39 -4.403 -7.170 -10.783 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.934 -8.989 -13.014 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.768 -7.672 -10.972 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.255 -8.878 -12.147 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.426 -10.382 -11.045 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.475 -9.227 -9.728 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.846 -10.803 -10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.997 -11.125 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.121 -8.407 -9.545 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.552 -11.736 -8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.801 -11.310 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.726 -7.867 -8.034 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.463 -9.129 -7.041 1.00 0.00 H new ATOM 576 N LYS A 40 -5.633 -7.336 -14.702 1.00 0.00 N ATOM 577 CA LYS A 40 -6.046 -6.391 -15.733 1.00 0.00 C ATOM 578 C LYS A 40 -7.246 -5.570 -15.271 1.00 0.00 C ATOM 579 O LYS A 40 -8.345 -6.098 -15.107 1.00 0.00 O ATOM 580 CB LYS A 40 -6.390 -7.134 -17.026 1.00 0.00 C ATOM 581 CG LYS A 40 -5.171 -7.591 -17.808 1.00 0.00 C ATOM 582 CD LYS A 40 -4.665 -6.501 -18.739 1.00 0.00 C ATOM 583 CE LYS A 40 -5.370 -6.547 -20.086 1.00 0.00 C ATOM 584 NZ LYS A 40 -6.670 -5.822 -20.056 1.00 0.00 N ATOM 0 H LYS A 40 -5.270 -8.219 -15.061 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.215 -5.711 -15.921 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.002 -8.003 -16.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.994 -6.484 -17.659 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.379 -7.876 -17.115 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.422 -8.479 -18.388 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.822 -5.526 -18.278 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.591 -6.616 -18.885 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.726 -6.107 -20.848 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.539 -7.585 -20.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.889 -5.462 -21.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.423 -6.471 -19.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.608 -5.025 -19.390 1.00 0.00 H new ATOM 598 N GLY A 41 -7.027 -4.275 -15.063 1.00 0.00 N ATOM 599 CA GLY A 41 -8.100 -3.403 -14.623 1.00 0.00 C ATOM 600 C GLY A 41 -8.311 -3.455 -13.123 1.00 0.00 C ATOM 601 O GLY A 41 -9.442 -3.570 -12.652 1.00 0.00 O ATOM 0 H GLY A 41 -6.126 -3.815 -15.191 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.876 -2.378 -14.920 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.024 -3.686 -15.127 1.00 0.00 H new ATOM 605 N SER A 42 -7.219 -3.371 -12.370 1.00 0.00 N ATOM 606 CA SER A 42 -7.289 -3.415 -10.914 1.00 0.00 C ATOM 607 C SER A 42 -6.345 -2.389 -10.294 1.00 0.00 C ATOM 608 O SER A 42 -5.604 -1.705 -10.999 1.00 0.00 O ATOM 609 CB SER A 42 -6.942 -4.816 -10.408 1.00 0.00 C ATOM 610 OG SER A 42 -5.542 -5.034 -10.429 1.00 0.00 O ATOM 0 H SER A 42 -6.275 -3.272 -12.744 1.00 0.00 H new ATOM 0 HA SER A 42 -8.309 -3.171 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.318 -4.943 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.439 -5.563 -11.027 1.00 0.00 H new ATOM 0 HG SER A 42 -5.288 -5.450 -11.279 1.00 0.00 H new ATOM 616 N ALA A 43 -6.378 -2.289 -8.969 1.00 0.00 N ATOM 617 CA ALA A 43 -5.525 -1.350 -8.252 1.00 0.00 C ATOM 618 C ALA A 43 -4.575 -2.080 -7.310 1.00 0.00 C ATOM 619 O ALA A 43 -3.399 -1.729 -7.202 1.00 0.00 O ATOM 620 CB ALA A 43 -6.373 -0.351 -7.479 1.00 0.00 C ATOM 0 H ALA A 43 -6.987 -2.847 -8.371 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.925 -0.811 -8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.723 0.344 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.006 0.202 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.998 -0.883 -6.762 1.00 0.00 H new ATOM 626 N HIS A 44 -5.091 -3.098 -6.628 1.00 0.00 N ATOM 627 CA HIS A 44 -4.287 -3.878 -5.693 1.00 0.00 C ATOM 628 C HIS A 44 -3.160 -4.604 -6.421 1.00 0.00 C ATOM 629 O HIS A 44 -3.352 -5.126 -7.520 1.00 0.00 O ATOM 630 CB HIS A 44 -5.164 -4.887 -4.952 1.00 0.00 C ATOM 631 CG HIS A 44 -6.363 -4.271 -4.297 1.00 0.00 C ATOM 632 ND1 HIS A 44 -7.600 -4.880 -4.268 1.00 0.00 N ATOM 633 CD2 HIS A 44 -6.508 -3.095 -3.644 1.00 0.00 C ATOM 634 CE1 HIS A 44 -8.454 -4.104 -3.626 1.00 0.00 C ATOM 635 NE2 HIS A 44 -7.817 -3.014 -3.237 1.00 0.00 N ATOM 0 H HIS A 44 -6.062 -3.402 -6.705 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.846 -3.191 -4.970 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.496 -5.652 -5.654 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.564 -5.390 -4.194 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.738 -2.357 -3.474 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.497 -4.323 -3.449 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.230 -2.239 -2.719 1.00 0.00 H new ATOM 644 N LEU A 45 -1.985 -4.633 -5.803 1.00 0.00 N ATOM 645 CA LEU A 45 -0.826 -5.295 -6.392 1.00 0.00 C ATOM 646 C LEU A 45 -0.456 -6.548 -5.605 1.00 0.00 C ATOM 647 O LEU A 45 -0.992 -6.797 -4.525 1.00 0.00 O ATOM 648 CB LEU A 45 0.366 -4.337 -6.437 1.00 0.00 C ATOM 649 CG LEU A 45 0.364 -3.316 -7.575 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.420 -2.248 -7.336 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.593 -4.007 -8.911 1.00 0.00 C ATOM 0 H LEU A 45 -1.809 -4.206 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.086 -5.590 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.408 -3.797 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.279 -4.928 -6.508 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.612 -2.832 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.404 -1.530 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.211 -1.733 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.404 -2.715 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.588 -3.265 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.556 -4.518 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.201 -4.733 -9.086 1.00 0.00 H new ATOM 663 N PHE A 46 0.466 -7.334 -6.152 1.00 0.00 N ATOM 664 CA PHE A 46 0.909 -8.561 -5.501 1.00 0.00 C ATOM 665 C PHE A 46 2.389 -8.817 -5.772 1.00 0.00 C ATOM 666 O PHE A 46 2.949 -8.315 -6.746 1.00 0.00 O ATOM 667 CB PHE A 46 0.077 -9.750 -5.986 1.00 0.00 C ATOM 668 CG PHE A 46 -1.379 -9.649 -5.631 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.795 -9.778 -4.316 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.331 -9.424 -6.612 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.134 -9.685 -3.986 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.671 -9.330 -6.289 1.00 0.00 C ATOM 673 CZ PHE A 46 -4.073 -9.460 -4.974 1.00 0.00 C ATOM 0 H PHE A 46 0.921 -7.143 -7.045 1.00 0.00 H new ATOM 0 HA PHE A 46 0.770 -8.443 -4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.174 -9.833 -7.069 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.484 -10.666 -5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.065 -9.953 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.022 -9.321 -7.642 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.446 -9.788 -2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.403 -9.155 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.120 -9.386 -4.719 1.00 0.00 H new ATOM 683 N CYS A 47 3.016 -9.601 -4.902 1.00 0.00 N ATOM 684 CA CYS A 47 4.431 -9.923 -5.044 1.00 0.00 C ATOM 685 C CYS A 47 4.630 -11.078 -6.022 1.00 0.00 C ATOM 686 O CYS A 47 5.505 -11.029 -6.886 1.00 0.00 O ATOM 687 CB CYS A 47 5.033 -10.284 -3.684 1.00 0.00 C ATOM 688 SG CYS A 47 4.450 -11.873 -3.011 1.00 0.00 S ATOM 0 H CYS A 47 2.566 -10.025 -4.091 1.00 0.00 H new ATOM 0 HA CYS A 47 4.940 -9.043 -5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.119 -10.317 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.798 -9.492 -2.973 1.00 0.00 H new ATOM 693 N SER A 48 3.811 -12.115 -5.880 1.00 0.00 N ATOM 694 CA SER A 48 3.898 -13.283 -6.748 1.00 0.00 C ATOM 695 C SER A 48 2.510 -13.840 -7.051 1.00 0.00 C ATOM 696 O SER A 48 1.501 -13.320 -6.573 1.00 0.00 O ATOM 697 CB SER A 48 4.763 -14.364 -6.097 1.00 0.00 C ATOM 698 OG SER A 48 6.142 -14.072 -6.245 1.00 0.00 O ATOM 0 H SER A 48 3.079 -12.170 -5.172 1.00 0.00 H new ATOM 0 HA SER A 48 4.359 -12.974 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.516 -14.443 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.542 -15.331 -6.548 1.00 0.00 H new ATOM 0 HG SER A 48 6.250 -13.145 -6.543 1.00 0.00 H new ATOM 704 N THR A 49 2.467 -14.901 -7.850 1.00 0.00 N ATOM 705 CA THR A 49 1.205 -15.529 -8.219 1.00 0.00 C ATOM 706 C THR A 49 0.555 -16.206 -7.018 1.00 0.00 C ATOM 707 O THR A 49 -0.668 -16.211 -6.880 1.00 0.00 O ATOM 708 CB THR A 49 1.401 -16.570 -9.338 1.00 0.00 C ATOM 709 OG1 THR A 49 2.494 -17.437 -9.014 1.00 0.00 O ATOM 710 CG2 THR A 49 1.665 -15.889 -10.672 1.00 0.00 C ATOM 0 H THR A 49 3.292 -15.344 -8.254 1.00 0.00 H new ATOM 0 HA THR A 49 0.552 -14.735 -8.582 1.00 0.00 H new ATOM 0 HB THR A 49 0.486 -17.156 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.611 -18.097 -9.729 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.800 -16.645 -11.446 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.818 -15.253 -10.930 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.566 -15.281 -10.598 1.00 0.00 H new ATOM 718 N THR A 50 1.382 -16.779 -6.148 1.00 0.00 N ATOM 719 CA THR A 50 0.888 -17.460 -4.958 1.00 0.00 C ATOM 720 C THR A 50 -0.093 -16.582 -4.190 1.00 0.00 C ATOM 721 O THR A 50 -1.087 -17.069 -3.651 1.00 0.00 O ATOM 722 CB THR A 50 2.043 -17.861 -4.021 1.00 0.00 C ATOM 723 OG1 THR A 50 1.523 -18.499 -2.849 1.00 0.00 O ATOM 724 CG2 THR A 50 2.863 -16.644 -3.621 1.00 0.00 C ATOM 0 H THR A 50 2.397 -16.785 -6.246 1.00 0.00 H new ATOM 0 HA THR A 50 0.376 -18.360 -5.298 1.00 0.00 H new ATOM 0 HB THR A 50 2.691 -18.556 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.263 -18.752 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.673 -16.952 -2.959 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.281 -16.178 -4.513 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.224 -15.929 -3.103 1.00 0.00 H new ATOM 732 N CYS A 51 0.191 -15.285 -4.144 1.00 0.00 N ATOM 733 CA CYS A 51 -0.666 -14.338 -3.442 1.00 0.00 C ATOM 734 C CYS A 51 -1.810 -13.871 -4.339 1.00 0.00 C ATOM 735 O CYS A 51 -2.979 -13.940 -3.959 1.00 0.00 O ATOM 736 CB CYS A 51 0.149 -13.133 -2.969 1.00 0.00 C ATOM 737 SG CYS A 51 1.268 -13.493 -1.577 1.00 0.00 S ATOM 0 H CYS A 51 1.009 -14.865 -4.585 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.090 -14.844 -2.575 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.737 -12.754 -3.805 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.536 -12.338 -2.675 1.00 0.00 H new ATOM 742 N LEU A 52 -1.464 -13.397 -5.530 1.00 0.00 N ATOM 743 CA LEU A 52 -2.461 -12.919 -6.482 1.00 0.00 C ATOM 744 C LEU A 52 -3.740 -13.745 -6.392 1.00 0.00 C ATOM 745 O LEU A 52 -4.839 -13.198 -6.306 1.00 0.00 O ATOM 746 CB LEU A 52 -1.903 -12.974 -7.906 1.00 0.00 C ATOM 747 CG LEU A 52 -2.917 -12.769 -9.032 1.00 0.00 C ATOM 748 CD1 LEU A 52 -3.127 -11.287 -9.298 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.459 -13.480 -10.298 1.00 0.00 C ATOM 0 H LEU A 52 -0.501 -13.333 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.700 -11.885 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.127 -12.215 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.422 -13.941 -8.049 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.869 -13.200 -8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.852 -11.161 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.500 -10.804 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.180 -10.832 -9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.193 -13.323 -11.089 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.495 -13.079 -10.612 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.361 -14.547 -10.100 1.00 0.00 H new ATOM 761 N SER A 53 -3.588 -15.065 -6.411 1.00 0.00 N ATOM 762 CA SER A 53 -4.731 -15.967 -6.333 1.00 0.00 C ATOM 763 C SER A 53 -5.235 -16.082 -4.898 1.00 0.00 C ATOM 764 O SER A 53 -6.425 -15.914 -4.631 1.00 0.00 O ATOM 765 CB SER A 53 -4.352 -17.351 -6.865 1.00 0.00 C ATOM 766 OG SER A 53 -5.440 -18.253 -6.758 1.00 0.00 O ATOM 0 H SER A 53 -2.685 -15.534 -6.480 1.00 0.00 H new ATOM 0 HA SER A 53 -5.531 -15.555 -6.949 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.042 -17.271 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.499 -17.737 -6.308 1.00 0.00 H new ATOM 0 HG SER A 53 -5.174 -19.130 -7.106 1.00 0.00 H new ATOM 772 N SER A 54 -4.321 -16.370 -3.977 1.00 0.00 N ATOM 773 CA SER A 54 -4.672 -16.512 -2.569 1.00 0.00 C ATOM 774 C SER A 54 -5.643 -15.417 -2.139 1.00 0.00 C ATOM 775 O SER A 54 -6.677 -15.692 -1.528 1.00 0.00 O ATOM 776 CB SER A 54 -3.414 -16.463 -1.700 1.00 0.00 C ATOM 777 OG SER A 54 -3.706 -16.815 -0.359 1.00 0.00 O ATOM 0 H SER A 54 -3.331 -16.510 -4.181 1.00 0.00 H new ATOM 0 HA SER A 54 -5.159 -17.478 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.664 -17.143 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.986 -15.461 -1.731 1.00 0.00 H new ATOM 0 HG SER A 54 -2.885 -16.777 0.175 1.00 0.00 H new ATOM 783 N PHE A 55 -5.304 -14.173 -2.461 1.00 0.00 N ATOM 784 CA PHE A 55 -6.144 -13.035 -2.108 1.00 0.00 C ATOM 785 C PHE A 55 -7.613 -13.335 -2.391 1.00 0.00 C ATOM 786 O PHE A 55 -8.476 -13.128 -1.537 1.00 0.00 O ATOM 787 CB PHE A 55 -5.708 -11.791 -2.884 1.00 0.00 C ATOM 788 CG PHE A 55 -6.287 -10.514 -2.345 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.683 -9.857 -1.285 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.435 -9.971 -2.899 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.213 -8.682 -0.787 1.00 0.00 C ATOM 792 CE2 PHE A 55 -7.969 -8.796 -2.405 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.358 -8.151 -1.347 1.00 0.00 C ATOM 0 H PHE A 55 -4.453 -13.928 -2.966 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.028 -12.848 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.620 -11.724 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.002 -11.902 -3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.788 -10.268 -0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.918 -10.471 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.732 -8.180 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.864 -8.382 -2.846 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.775 -7.233 -0.959 1.00 0.00 H new ATOM 803 N SER A 56 -7.890 -13.823 -3.595 1.00 0.00 N ATOM 804 CA SER A 56 -9.255 -14.148 -3.994 1.00 0.00 C ATOM 805 C SER A 56 -9.400 -15.642 -4.266 1.00 0.00 C ATOM 806 O SER A 56 -9.350 -16.082 -5.415 1.00 0.00 O ATOM 807 CB SER A 56 -9.649 -13.350 -5.238 1.00 0.00 C ATOM 808 OG SER A 56 -10.059 -12.038 -4.894 1.00 0.00 O ATOM 0 H SER A 56 -7.187 -14.002 -4.312 1.00 0.00 H new ATOM 0 HA SER A 56 -9.921 -13.880 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.805 -13.302 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.457 -13.861 -5.761 1.00 0.00 H new ATOM 0 HG SER A 56 -10.719 -11.720 -5.545 1.00 0.00 H new ATOM 814 N SER A 57 -9.581 -16.417 -3.202 1.00 0.00 N ATOM 815 CA SER A 57 -9.730 -17.862 -3.324 1.00 0.00 C ATOM 816 C SER A 57 -11.057 -18.324 -2.731 1.00 0.00 C ATOM 817 O SER A 57 -11.810 -19.062 -3.364 1.00 0.00 O ATOM 818 CB SER A 57 -8.570 -18.577 -2.627 1.00 0.00 C ATOM 819 OG SER A 57 -8.619 -19.974 -2.859 1.00 0.00 O ATOM 0 H SER A 57 -9.628 -16.068 -2.245 1.00 0.00 H new ATOM 0 HA SER A 57 -9.719 -18.115 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.623 -18.178 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.609 -18.382 -1.555 1.00 0.00 H new ATOM 0 HG SER A 57 -7.867 -20.408 -2.405 1.00 0.00 H new ATOM 825 N GLY A 58 -11.337 -17.882 -1.508 1.00 0.00 N ATOM 826 CA GLY A 58 -12.573 -18.260 -0.849 1.00 0.00 C ATOM 827 C GLY A 58 -13.791 -17.622 -1.489 1.00 0.00 C ATOM 828 O GLY A 58 -13.766 -17.216 -2.651 1.00 0.00 O ATOM 0 H GLY A 58 -10.730 -17.270 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.678 -19.345 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.525 -17.971 0.201 1.00 0.00 H new ATOM 832 N PRO A 59 -14.887 -17.529 -0.722 1.00 0.00 N ATOM 833 CA PRO A 59 -16.140 -16.939 -1.201 1.00 0.00 C ATOM 834 C PRO A 59 -16.032 -15.431 -1.400 1.00 0.00 C ATOM 835 O PRO A 59 -16.389 -14.652 -0.516 1.00 0.00 O ATOM 836 CB PRO A 59 -17.135 -17.261 -0.083 1.00 0.00 C ATOM 837 CG PRO A 59 -16.295 -17.414 1.138 1.00 0.00 C ATOM 838 CD PRO A 59 -14.988 -17.993 0.672 1.00 0.00 C ATOM 0 HA PRO A 59 -16.430 -17.334 -2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -17.867 -16.463 0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -17.691 -18.174 -0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.143 -16.453 1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.776 -18.071 1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.153 -17.637 1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.986 -19.081 0.734 1.00 0.00 H new ATOM 846 N SER A 60 -15.539 -15.026 -2.566 1.00 0.00 N ATOM 847 CA SER A 60 -15.381 -13.611 -2.879 1.00 0.00 C ATOM 848 C SER A 60 -14.912 -13.422 -4.318 1.00 0.00 C ATOM 849 O SER A 60 -13.899 -13.985 -4.732 1.00 0.00 O ATOM 850 CB SER A 60 -14.383 -12.962 -1.916 1.00 0.00 C ATOM 851 OG SER A 60 -13.167 -13.689 -1.876 1.00 0.00 O ATOM 0 H SER A 60 -15.242 -15.658 -3.309 1.00 0.00 H new ATOM 0 HA SER A 60 -16.352 -13.129 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.187 -11.936 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.815 -12.915 -0.916 1.00 0.00 H new ATOM 0 HG SER A 60 -12.968 -14.043 -2.768 1.00 0.00 H new ATOM 857 N SER A 61 -15.657 -12.624 -5.076 1.00 0.00 N ATOM 858 CA SER A 61 -15.321 -12.362 -6.471 1.00 0.00 C ATOM 859 C SER A 61 -15.482 -10.881 -6.800 1.00 0.00 C ATOM 860 O SER A 61 -16.419 -10.230 -6.341 1.00 0.00 O ATOM 861 CB SER A 61 -16.205 -13.201 -7.396 1.00 0.00 C ATOM 862 OG SER A 61 -17.517 -12.670 -7.468 1.00 0.00 O ATOM 0 H SER A 61 -16.497 -12.148 -4.748 1.00 0.00 H new ATOM 0 HA SER A 61 -14.278 -12.639 -6.626 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.767 -13.232 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.244 -14.228 -7.033 1.00 0.00 H new ATOM 0 HG SER A 61 -18.061 -13.223 -8.067 1.00 0.00 H new ATOM 868 N GLY A 62 -14.559 -10.356 -7.601 1.00 0.00 N ATOM 869 CA GLY A 62 -14.616 -8.956 -7.978 1.00 0.00 C ATOM 870 C GLY A 62 -13.249 -8.299 -7.976 1.00 0.00 C ATOM 871 O GLY A 62 -12.336 -8.814 -8.620 1.00 0.00 O ATOM 0 H GLY A 62 -13.774 -10.875 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.057 -8.868 -8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.273 -8.424 -7.290 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.638 -11.580 -1.570 1.00 0.00 ZN