USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) 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 20:sc= 0.476 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 THR OG1 : rot 47:sc= 0.78 USER MOD Single : A 11 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.027) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 165:sc= -1.82 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0378 K(o=-0.038,f=-0.62) USER MOD Single : A 37 ASN : amide:sc= -3.71! C(o=-3.7!,f=-3!) USER MOD Single : A 43 SER OG : rot -26:sc= 0.579! USER MOD Single : A 51 GLN : amide:sc= -0.175 K(o=-0.18,f=-2.4!) USER MOD Single : A 52 HIS : no HD1:sc= -3.91 X(o=-3.9,f=-4!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.133 USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= -0.126 (180deg=-0.721) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.149 X(o=-0.15,f=0.001) USER MOD Single : A 66 ASN : amide:sc= 0.187 K(o=0.19,f=-7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.768 K(o=0.77,f=-3.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.214 -33.732 15.180 1.00 0.00 N ATOM 2 CA GLY A 1 6.887 -33.174 14.994 1.00 0.00 C ATOM 3 C GLY A 1 6.231 -33.654 13.714 1.00 0.00 C ATOM 4 O GLY A 1 5.567 -34.691 13.701 1.00 0.00 O ATOM 0 H1 GLY A 1 8.620 -33.374 16.068 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.152 -34.769 15.221 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.823 -33.453 14.384 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.260 -33.444 15.844 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.952 -32.086 14.979 1.00 0.00 H new ATOM 8 N SER A 2 6.416 -32.899 12.636 1.00 0.00 N ATOM 9 CA SER A 2 5.832 -33.251 11.347 1.00 0.00 C ATOM 10 C SER A 2 6.760 -32.852 10.204 1.00 0.00 C ATOM 11 O SER A 2 7.127 -31.686 10.064 1.00 0.00 O ATOM 12 CB SER A 2 4.473 -32.570 11.176 1.00 0.00 C ATOM 13 OG SER A 2 3.843 -32.982 9.976 1.00 0.00 O ATOM 0 H SER A 2 6.966 -32.040 12.630 1.00 0.00 H new ATOM 0 HA SER A 2 5.695 -34.332 11.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.834 -32.808 12.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.603 -31.488 11.169 1.00 0.00 H new ATOM 0 HG SER A 2 2.976 -32.534 9.891 1.00 0.00 H new ATOM 19 N SER A 3 7.137 -33.832 9.388 1.00 0.00 N ATOM 20 CA SER A 3 8.026 -33.586 8.258 1.00 0.00 C ATOM 21 C SER A 3 7.530 -32.409 7.423 1.00 0.00 C ATOM 22 O SER A 3 6.416 -32.429 6.901 1.00 0.00 O ATOM 23 CB SER A 3 8.132 -34.837 7.384 1.00 0.00 C ATOM 24 OG SER A 3 6.908 -35.102 6.722 1.00 0.00 O ATOM 0 H SER A 3 6.841 -34.803 9.488 1.00 0.00 H new ATOM 0 HA SER A 3 9.013 -33.341 8.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.925 -34.704 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.408 -35.693 8.000 1.00 0.00 H new ATOM 0 HG SER A 3 6.362 -34.288 6.705 1.00 0.00 H new ATOM 30 N GLY A 4 8.368 -31.383 7.302 1.00 0.00 N ATOM 31 CA GLY A 4 7.998 -30.211 6.530 1.00 0.00 C ATOM 32 C GLY A 4 8.729 -28.963 6.984 1.00 0.00 C ATOM 33 O GLY A 4 9.927 -29.004 7.264 1.00 0.00 O ATOM 0 H GLY A 4 9.296 -31.343 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.213 -30.391 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.923 -30.049 6.613 1.00 0.00 H new ATOM 37 N SER A 5 8.007 -27.850 7.057 1.00 0.00 N ATOM 38 CA SER A 5 8.595 -26.583 7.475 1.00 0.00 C ATOM 39 C SER A 5 9.761 -26.200 6.569 1.00 0.00 C ATOM 40 O SER A 5 10.819 -25.783 7.041 1.00 0.00 O ATOM 41 CB SER A 5 9.071 -26.672 8.927 1.00 0.00 C ATOM 42 OG SER A 5 8.006 -27.026 9.791 1.00 0.00 O ATOM 0 H SER A 5 7.013 -27.800 6.832 1.00 0.00 H new ATOM 0 HA SER A 5 7.829 -25.812 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.869 -27.410 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.491 -25.714 9.235 1.00 0.00 H new ATOM 0 HG SER A 5 8.336 -27.078 10.712 1.00 0.00 H new ATOM 48 N SER A 6 9.560 -26.345 5.263 1.00 0.00 N ATOM 49 CA SER A 6 10.595 -26.018 4.289 1.00 0.00 C ATOM 50 C SER A 6 9.984 -25.406 3.032 1.00 0.00 C ATOM 51 O SER A 6 8.771 -25.450 2.833 1.00 0.00 O ATOM 52 CB SER A 6 11.394 -27.270 3.924 1.00 0.00 C ATOM 53 OG SER A 6 10.681 -28.081 3.006 1.00 0.00 O ATOM 0 H SER A 6 8.690 -26.687 4.855 1.00 0.00 H new ATOM 0 HA SER A 6 11.265 -25.286 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.351 -26.981 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.612 -27.842 4.826 1.00 0.00 H new ATOM 0 HG SER A 6 11.214 -28.874 2.787 1.00 0.00 H new ATOM 59 N GLY A 7 10.836 -24.835 2.185 1.00 0.00 N ATOM 60 CA GLY A 7 10.363 -24.222 0.958 1.00 0.00 C ATOM 61 C GLY A 7 10.211 -22.719 1.082 1.00 0.00 C ATOM 62 O GLY A 7 9.478 -22.229 1.942 1.00 0.00 O ATOM 0 H GLY A 7 11.845 -24.786 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.059 -24.448 0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.403 -24.660 0.683 1.00 0.00 H new ATOM 66 N THR A 8 10.908 -21.982 0.222 1.00 0.00 N ATOM 67 CA THR A 8 10.850 -20.526 0.240 1.00 0.00 C ATOM 68 C THR A 8 10.155 -19.988 -1.005 1.00 0.00 C ATOM 69 O THR A 8 10.807 -19.653 -1.994 1.00 0.00 O ATOM 70 CB THR A 8 12.258 -19.909 0.336 1.00 0.00 C ATOM 71 OG1 THR A 8 13.065 -20.357 -0.759 1.00 0.00 O ATOM 72 CG2 THR A 8 12.925 -20.284 1.651 1.00 0.00 C ATOM 0 H THR A 8 11.520 -22.371 -0.496 1.00 0.00 H new ATOM 0 HA THR A 8 10.277 -20.243 1.123 1.00 0.00 H new ATOM 0 HB THR A 8 12.159 -18.824 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.559 -20.273 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.918 -19.837 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.323 -19.916 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.012 -21.368 1.719 1.00 0.00 H new ATOM 80 N GLU A 9 8.830 -19.906 -0.949 1.00 0.00 N ATOM 81 CA GLU A 9 8.047 -19.408 -2.074 1.00 0.00 C ATOM 82 C GLU A 9 8.160 -17.890 -2.185 1.00 0.00 C ATOM 83 O GLU A 9 8.672 -17.228 -1.283 1.00 0.00 O ATOM 84 CB GLU A 9 6.579 -19.811 -1.922 1.00 0.00 C ATOM 85 CG GLU A 9 6.308 -21.264 -2.274 1.00 0.00 C ATOM 86 CD GLU A 9 7.200 -22.226 -1.513 1.00 0.00 C ATOM 87 OE1 GLU A 9 7.036 -22.339 -0.280 1.00 0.00 O ATOM 88 OE2 GLU A 9 8.062 -22.865 -2.151 1.00 0.00 O ATOM 0 H GLU A 9 8.276 -20.178 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 9 8.445 -19.853 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.266 -19.630 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.967 -19.171 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.265 -21.497 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.455 -21.408 -3.344 1.00 0.00 H new ATOM 95 N GLU A 10 7.678 -17.347 -3.299 1.00 0.00 N ATOM 96 CA GLU A 10 7.727 -15.908 -3.528 1.00 0.00 C ATOM 97 C GLU A 10 6.333 -15.294 -3.432 1.00 0.00 C ATOM 98 O GLU A 10 5.539 -15.379 -4.369 1.00 0.00 O ATOM 99 CB GLU A 10 8.334 -15.608 -4.901 1.00 0.00 C ATOM 100 CG GLU A 10 9.846 -15.754 -4.942 1.00 0.00 C ATOM 101 CD GLU A 10 10.430 -15.389 -6.293 1.00 0.00 C ATOM 102 OE1 GLU A 10 9.950 -15.927 -7.313 1.00 0.00 O ATOM 103 OE2 GLU A 10 11.368 -14.565 -6.330 1.00 0.00 O ATOM 0 H GLU A 10 7.250 -17.881 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 10 8.355 -15.464 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.892 -16.278 -5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.067 -14.592 -5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.290 -15.119 -4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.115 -16.782 -4.700 1.00 0.00 H new ATOM 110 N HIS A 11 6.042 -14.677 -2.291 1.00 0.00 N ATOM 111 CA HIS A 11 4.744 -14.049 -2.071 1.00 0.00 C ATOM 112 C HIS A 11 3.642 -15.100 -1.968 1.00 0.00 C ATOM 113 O HIS A 11 2.612 -15.001 -2.634 1.00 0.00 O ATOM 114 CB HIS A 11 4.428 -13.072 -3.203 1.00 0.00 C ATOM 115 CG HIS A 11 3.457 -11.999 -2.815 1.00 0.00 C ATOM 116 ND1 HIS A 11 2.582 -11.417 -3.708 1.00 0.00 N ATOM 117 CD2 HIS A 11 3.226 -11.404 -1.621 1.00 0.00 C ATOM 118 CE1 HIS A 11 1.856 -10.509 -3.080 1.00 0.00 C ATOM 119 NE2 HIS A 11 2.226 -10.482 -1.813 1.00 0.00 N ATOM 0 H HIS A 11 6.687 -14.599 -1.505 1.00 0.00 H new ATOM 0 HA HIS A 11 4.788 -13.501 -1.130 1.00 0.00 H new ATOM 0 HB2 HIS A 11 5.355 -12.607 -3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 11 4.024 -13.628 -4.049 1.00 0.00 H new ATOM 0 HD2 HIS A 11 3.733 -11.615 -0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.090 -9.893 -3.527 1.00 0.00 H new ATOM 0 HE2 HIS A 11 1.833 -9.875 -1.093 1.00 0.00 H new ATOM 127 N VAL A 12 3.868 -16.106 -1.129 1.00 0.00 N ATOM 128 CA VAL A 12 2.895 -17.175 -0.939 1.00 0.00 C ATOM 129 C VAL A 12 1.805 -16.758 0.042 1.00 0.00 C ATOM 130 O VAL A 12 0.665 -17.211 -0.051 1.00 0.00 O ATOM 131 CB VAL A 12 3.568 -18.462 -0.425 1.00 0.00 C ATOM 132 CG1 VAL A 12 4.280 -18.203 0.893 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.543 -19.576 -0.277 1.00 0.00 C ATOM 0 H VAL A 12 4.716 -16.203 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 12 2.447 -17.372 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 12 4.312 -18.779 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.749 -19.124 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.043 -17.438 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.559 -17.861 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.036 -20.478 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.774 -19.271 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.084 -19.779 -1.245 1.00 0.00 H new ATOM 143 N GLY A 13 2.164 -15.891 0.984 1.00 0.00 N ATOM 144 CA GLY A 13 1.206 -15.427 1.970 1.00 0.00 C ATOM 145 C GLY A 13 1.646 -15.720 3.390 1.00 0.00 C ATOM 146 O GLY A 13 0.848 -16.162 4.216 1.00 0.00 O ATOM 0 H GLY A 13 3.102 -15.502 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.060 -14.353 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.242 -15.902 1.787 1.00 0.00 H new ATOM 150 N SER A 14 2.921 -15.475 3.675 1.00 0.00 N ATOM 151 CA SER A 14 3.468 -15.721 5.004 1.00 0.00 C ATOM 152 C SER A 14 3.173 -14.551 5.938 1.00 0.00 C ATOM 153 O SER A 14 3.937 -13.588 6.006 1.00 0.00 O ATOM 154 CB SER A 14 4.978 -15.955 4.922 1.00 0.00 C ATOM 155 OG SER A 14 5.471 -16.528 6.121 1.00 0.00 O ATOM 0 H SER A 14 3.594 -15.106 3.003 1.00 0.00 H new ATOM 0 HA SER A 14 2.991 -16.614 5.407 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.202 -16.612 4.082 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.486 -15.010 4.731 1.00 0.00 H new ATOM 0 HG SER A 14 6.438 -16.669 6.043 1.00 0.00 H new ATOM 161 N GLY A 15 2.058 -14.641 6.657 1.00 0.00 N ATOM 162 CA GLY A 15 1.681 -13.585 7.577 1.00 0.00 C ATOM 163 C GLY A 15 2.034 -12.207 7.053 1.00 0.00 C ATOM 164 O GLY A 15 2.676 -11.417 7.746 1.00 0.00 O ATOM 0 H GLY A 15 1.409 -15.427 6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.608 -13.636 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.179 -13.745 8.533 1.00 0.00 H new ATOM 168 N LEU A 16 1.614 -11.917 5.827 1.00 0.00 N ATOM 169 CA LEU A 16 1.891 -10.624 5.209 1.00 0.00 C ATOM 170 C LEU A 16 0.597 -9.868 4.926 1.00 0.00 C ATOM 171 O LEU A 16 0.622 -8.727 4.466 1.00 0.00 O ATOM 172 CB LEU A 16 2.678 -10.815 3.911 1.00 0.00 C ATOM 173 CG LEU A 16 2.294 -12.030 3.067 1.00 0.00 C ATOM 174 CD1 LEU A 16 0.800 -12.036 2.786 1.00 0.00 C ATOM 175 CD2 LEU A 16 3.083 -12.046 1.765 1.00 0.00 C ATOM 0 H LEU A 16 1.081 -12.559 5.241 1.00 0.00 H new ATOM 0 HA LEU A 16 2.489 -10.036 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.556 -9.920 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.737 -10.890 4.159 1.00 0.00 H new ATOM 0 HG LEU A 16 2.540 -12.930 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.547 -12.909 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.253 -12.074 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.528 -11.130 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.797 -12.918 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.869 -11.140 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.149 -12.092 1.986 1.00 0.00 H new ATOM 187 N GLU A 17 -0.532 -10.511 5.207 1.00 0.00 N ATOM 188 CA GLU A 17 -1.836 -9.897 4.983 1.00 0.00 C ATOM 189 C GLU A 17 -1.802 -8.410 5.322 1.00 0.00 C ATOM 190 O GLU A 17 -1.173 -7.997 6.297 1.00 0.00 O ATOM 191 CB GLU A 17 -2.905 -10.599 5.823 1.00 0.00 C ATOM 192 CG GLU A 17 -2.637 -10.545 7.318 1.00 0.00 C ATOM 193 CD GLU A 17 -3.373 -11.630 8.082 1.00 0.00 C ATOM 194 OE1 GLU A 17 -4.541 -11.400 8.459 1.00 0.00 O ATOM 195 OE2 GLU A 17 -2.780 -12.706 8.302 1.00 0.00 O ATOM 0 H GLU A 17 -0.570 -11.456 5.590 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.084 -10.005 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.873 -10.142 5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.973 -11.641 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.566 -10.644 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.935 -9.569 7.702 1.00 0.00 H new ATOM 202 N CYS A 18 -2.484 -7.609 4.510 1.00 0.00 N ATOM 203 CA CYS A 18 -2.533 -6.167 4.722 1.00 0.00 C ATOM 204 C CYS A 18 -3.042 -5.839 6.122 1.00 0.00 C ATOM 205 O CYS A 18 -4.092 -6.315 6.555 1.00 0.00 O ATOM 206 CB CYS A 18 -3.430 -5.507 3.673 1.00 0.00 C ATOM 207 SG CYS A 18 -4.085 -3.881 4.172 1.00 0.00 S ATOM 0 H CYS A 18 -3.010 -7.934 3.699 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.520 -5.776 4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.865 -5.391 2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.266 -6.172 3.455 1.00 0.00 H new ATOM 212 N PRO A 19 -2.282 -5.007 6.849 1.00 0.00 N ATOM 213 CA PRO A 19 -2.636 -4.596 8.210 1.00 0.00 C ATOM 214 C PRO A 19 -3.848 -3.671 8.240 1.00 0.00 C ATOM 215 O PRO A 19 -4.623 -3.678 9.197 1.00 0.00 O ATOM 216 CB PRO A 19 -1.387 -3.855 8.694 1.00 0.00 C ATOM 217 CG PRO A 19 -0.730 -3.367 7.449 1.00 0.00 C ATOM 218 CD PRO A 19 -1.017 -4.402 6.396 1.00 0.00 C ATOM 0 HA PRO A 19 -2.912 -5.447 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.648 -3.028 9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.728 -4.516 9.257 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.123 -2.393 7.156 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.343 -3.247 7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.117 -3.953 5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.219 -5.141 6.331 1.00 0.00 H new ATOM 226 N VAL A 20 -4.007 -2.877 7.186 1.00 0.00 N ATOM 227 CA VAL A 20 -5.127 -1.948 7.090 1.00 0.00 C ATOM 228 C VAL A 20 -6.454 -2.661 7.321 1.00 0.00 C ATOM 229 O VAL A 20 -7.276 -2.223 8.127 1.00 0.00 O ATOM 230 CB VAL A 20 -5.162 -1.251 5.717 1.00 0.00 C ATOM 231 CG1 VAL A 20 -6.089 -0.046 5.754 1.00 0.00 C ATOM 232 CG2 VAL A 20 -3.760 -0.844 5.290 1.00 0.00 C ATOM 0 H VAL A 20 -3.374 -2.858 6.386 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.983 -1.197 7.866 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.550 -1.955 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.101 0.434 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.097 -0.370 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.734 0.663 6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.804 -0.353 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.341 -0.157 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.129 -1.730 5.221 1.00 0.00 H new ATOM 242 N CYS A 21 -6.659 -3.764 6.608 1.00 0.00 N ATOM 243 CA CYS A 21 -7.886 -4.540 6.734 1.00 0.00 C ATOM 244 C CYS A 21 -7.626 -5.857 7.459 1.00 0.00 C ATOM 245 O CYS A 21 -8.542 -6.467 8.011 1.00 0.00 O ATOM 246 CB CYS A 21 -8.484 -4.815 5.353 1.00 0.00 C ATOM 247 SG CYS A 21 -7.281 -5.428 4.130 1.00 0.00 S ATOM 0 H CYS A 21 -5.990 -4.140 5.936 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.596 -3.957 7.321 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.286 -5.546 5.455 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.935 -3.897 4.975 1.00 0.00 H new ATOM 252 N LYS A 22 -6.370 -6.290 7.454 1.00 0.00 N ATOM 253 CA LYS A 22 -5.986 -7.534 8.111 1.00 0.00 C ATOM 254 C LYS A 22 -6.628 -8.734 7.423 1.00 0.00 C ATOM 255 O LYS A 22 -7.074 -9.673 8.082 1.00 0.00 O ATOM 256 CB LYS A 22 -6.391 -7.501 9.587 1.00 0.00 C ATOM 257 CG LYS A 22 -5.879 -6.280 10.331 1.00 0.00 C ATOM 258 CD LYS A 22 -4.510 -6.532 10.940 1.00 0.00 C ATOM 259 CE LYS A 22 -3.948 -5.276 11.588 1.00 0.00 C ATOM 260 NZ LYS A 22 -3.007 -5.596 12.696 1.00 0.00 N ATOM 0 H LYS A 22 -5.600 -5.797 7.002 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.903 -7.634 8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.478 -7.529 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.016 -8.399 10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.824 -5.433 9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.584 -6.010 11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.582 -7.325 11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.825 -6.881 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.433 -4.679 10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.767 -4.668 11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.646 -4.713 13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.504 -6.144 13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.212 -6.155 12.326 1.00 0.00 H new ATOM 274 N GLU A 23 -6.671 -8.696 6.095 1.00 0.00 N ATOM 275 CA GLU A 23 -7.259 -9.782 5.319 1.00 0.00 C ATOM 276 C GLU A 23 -6.174 -10.656 4.698 1.00 0.00 C ATOM 277 O GLU A 23 -5.796 -11.687 5.256 1.00 0.00 O ATOM 278 CB GLU A 23 -8.168 -9.222 4.223 1.00 0.00 C ATOM 279 CG GLU A 23 -9.407 -8.524 4.758 1.00 0.00 C ATOM 280 CD GLU A 23 -10.588 -9.463 4.903 1.00 0.00 C ATOM 281 OE1 GLU A 23 -10.566 -10.304 5.826 1.00 0.00 O ATOM 282 OE2 GLU A 23 -11.534 -9.357 4.095 1.00 0.00 O ATOM 0 H GLU A 23 -6.306 -7.926 5.534 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.854 -10.396 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.599 -8.519 3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.475 -10.036 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.179 -8.080 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.677 -7.707 4.089 1.00 0.00 H new ATOM 289 N ASP A 24 -5.677 -10.238 3.539 1.00 0.00 N ATOM 290 CA ASP A 24 -4.634 -10.981 2.841 1.00 0.00 C ATOM 291 C ASP A 24 -4.296 -10.321 1.508 1.00 0.00 C ATOM 292 O ASP A 24 -4.987 -9.403 1.065 1.00 0.00 O ATOM 293 CB ASP A 24 -5.077 -12.427 2.610 1.00 0.00 C ATOM 294 CG ASP A 24 -6.529 -12.528 2.187 1.00 0.00 C ATOM 295 OD1 ASP A 24 -6.990 -11.646 1.432 1.00 0.00 O ATOM 296 OD2 ASP A 24 -7.205 -13.488 2.611 1.00 0.00 O ATOM 0 H ASP A 24 -5.980 -9.388 3.063 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.740 -10.978 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.446 -12.879 1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.928 -13.000 3.525 1.00 0.00 H new ATOM 301 N TYR A 25 -3.229 -10.793 0.874 1.00 0.00 N ATOM 302 CA TYR A 25 -2.796 -10.247 -0.407 1.00 0.00 C ATOM 303 C TYR A 25 -3.232 -11.147 -1.559 1.00 0.00 C ATOM 304 O TYR A 25 -3.946 -12.129 -1.357 1.00 0.00 O ATOM 305 CB TYR A 25 -1.277 -10.076 -0.425 1.00 0.00 C ATOM 306 CG TYR A 25 -0.787 -8.915 0.411 1.00 0.00 C ATOM 307 CD1 TYR A 25 -1.441 -7.689 0.383 1.00 0.00 C ATOM 308 CD2 TYR A 25 0.328 -9.044 1.229 1.00 0.00 C ATOM 309 CE1 TYR A 25 -0.997 -6.626 1.145 1.00 0.00 C ATOM 310 CE2 TYR A 25 0.778 -7.987 1.996 1.00 0.00 C ATOM 311 CZ TYR A 25 0.112 -6.780 1.950 1.00 0.00 C ATOM 312 OH TYR A 25 0.558 -5.723 2.711 1.00 0.00 O ATOM 0 H TYR A 25 -2.647 -11.553 1.226 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.266 -9.272 -0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.812 -10.994 -0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.948 -9.935 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.311 -7.565 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.852 -9.987 1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.516 -5.679 1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.646 -8.105 2.628 1.00 0.00 H new ATOM 0 HH TYR A 25 1.185 -6.050 3.389 1.00 0.00 H new ATOM 322 N ALA A 26 -2.797 -10.805 -2.766 1.00 0.00 N ATOM 323 CA ALA A 26 -3.139 -11.582 -3.951 1.00 0.00 C ATOM 324 C ALA A 26 -2.258 -11.195 -5.135 1.00 0.00 C ATOM 325 O ALA A 26 -2.107 -10.014 -5.449 1.00 0.00 O ATOM 326 CB ALA A 26 -4.608 -11.394 -4.300 1.00 0.00 C ATOM 0 H ALA A 26 -2.206 -9.994 -2.950 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.962 -12.634 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.849 -11.980 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.226 -11.727 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.803 -10.340 -4.498 1.00 0.00 H new ATOM 332 N LEU A 27 -1.678 -12.197 -5.787 1.00 0.00 N ATOM 333 CA LEU A 27 -0.812 -11.962 -6.936 1.00 0.00 C ATOM 334 C LEU A 27 -1.335 -10.808 -7.786 1.00 0.00 C ATOM 335 O LEU A 27 -0.589 -9.897 -8.142 1.00 0.00 O ATOM 336 CB LEU A 27 -0.704 -13.229 -7.786 1.00 0.00 C ATOM 337 CG LEU A 27 -0.221 -14.485 -7.061 1.00 0.00 C ATOM 338 CD1 LEU A 27 -0.522 -15.727 -7.886 1.00 0.00 C ATOM 339 CD2 LEU A 27 1.269 -14.389 -6.763 1.00 0.00 C ATOM 0 H LEU A 27 -1.792 -13.180 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 27 0.178 -11.696 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.683 -13.437 -8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.026 -13.029 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.757 -14.564 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.171 -16.611 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.597 -15.804 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.014 -15.657 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.596 -15.292 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.821 -14.285 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.459 -13.521 -6.131 1.00 0.00 H new ATOM 351 N GLY A 28 -2.625 -10.853 -8.106 1.00 0.00 N ATOM 352 CA GLY A 28 -3.227 -9.805 -8.909 1.00 0.00 C ATOM 353 C GLY A 28 -3.493 -8.544 -8.112 1.00 0.00 C ATOM 354 O GLY A 28 -3.538 -7.448 -8.670 1.00 0.00 O ATOM 0 H GLY A 28 -3.263 -11.597 -7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.570 -9.570 -9.746 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.164 -10.168 -9.332 1.00 0.00 H new ATOM 358 N GLU A 29 -3.671 -8.699 -6.804 1.00 0.00 N ATOM 359 CA GLU A 29 -3.936 -7.562 -5.930 1.00 0.00 C ATOM 360 C GLU A 29 -2.741 -6.614 -5.892 1.00 0.00 C ATOM 361 O GLU A 29 -1.646 -6.994 -5.479 1.00 0.00 O ATOM 362 CB GLU A 29 -4.263 -8.044 -4.514 1.00 0.00 C ATOM 363 CG GLU A 29 -5.730 -8.383 -4.311 1.00 0.00 C ATOM 364 CD GLU A 29 -5.988 -9.086 -2.992 1.00 0.00 C ATOM 365 OE1 GLU A 29 -5.223 -8.848 -2.034 1.00 0.00 O ATOM 366 OE2 GLU A 29 -6.955 -9.873 -2.918 1.00 0.00 O ATOM 0 H GLU A 29 -3.637 -9.600 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.794 -7.022 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.661 -8.925 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.975 -7.272 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.320 -7.467 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.069 -9.018 -5.130 1.00 0.00 H new ATOM 373 N SER A 30 -2.960 -5.377 -6.328 1.00 0.00 N ATOM 374 CA SER A 30 -1.902 -4.375 -6.349 1.00 0.00 C ATOM 375 C SER A 30 -1.469 -4.012 -4.932 1.00 0.00 C ATOM 376 O SER A 30 -2.157 -3.269 -4.232 1.00 0.00 O ATOM 377 CB SER A 30 -2.372 -3.121 -7.089 1.00 0.00 C ATOM 378 OG SER A 30 -1.297 -2.223 -7.304 1.00 0.00 O ATOM 0 H SER A 30 -3.861 -5.045 -6.671 1.00 0.00 H new ATOM 0 HA SER A 30 -1.046 -4.798 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.812 -3.403 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.154 -2.626 -6.513 1.00 0.00 H new ATOM 0 HG SER A 30 -1.623 -1.431 -7.780 1.00 0.00 H new ATOM 384 N VAL A 31 -0.323 -4.541 -4.515 1.00 0.00 N ATOM 385 CA VAL A 31 0.203 -4.273 -3.182 1.00 0.00 C ATOM 386 C VAL A 31 1.292 -3.207 -3.226 1.00 0.00 C ATOM 387 O VAL A 31 2.000 -3.069 -4.224 1.00 0.00 O ATOM 388 CB VAL A 31 0.775 -5.549 -2.537 1.00 0.00 C ATOM 389 CG1 VAL A 31 -0.294 -6.259 -1.720 1.00 0.00 C ATOM 390 CG2 VAL A 31 1.346 -6.474 -3.602 1.00 0.00 C ATOM 0 H VAL A 31 0.259 -5.158 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.631 -3.913 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 31 1.584 -5.264 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.128 -7.158 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.652 -5.595 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.126 -6.533 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.746 -7.371 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.558 -6.754 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.143 -5.961 -4.140 1.00 0.00 H new ATOM 400 N ARG A 32 1.421 -2.456 -2.137 1.00 0.00 N ATOM 401 CA ARG A 32 2.424 -1.401 -2.051 1.00 0.00 C ATOM 402 C ARG A 32 3.335 -1.614 -0.846 1.00 0.00 C ATOM 403 O ARG A 32 2.868 -1.927 0.249 1.00 0.00 O ATOM 404 CB ARG A 32 1.748 -0.032 -1.957 1.00 0.00 C ATOM 405 CG ARG A 32 2.557 0.994 -1.181 1.00 0.00 C ATOM 406 CD ARG A 32 2.343 2.399 -1.724 1.00 0.00 C ATOM 407 NE ARG A 32 3.177 3.383 -1.039 1.00 0.00 N ATOM 408 CZ ARG A 32 4.446 3.618 -1.355 1.00 0.00 C ATOM 409 NH1 ARG A 32 5.023 2.943 -2.340 1.00 0.00 N ATOM 410 NH2 ARG A 32 5.140 4.530 -0.686 1.00 0.00 N ATOM 0 H ARG A 32 0.844 -2.558 -1.302 1.00 0.00 H new ATOM 0 HA ARG A 32 3.032 -1.437 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.569 0.345 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.774 -0.149 -1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.274 0.962 -0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.616 0.740 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.567 2.413 -2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.294 2.674 -1.615 1.00 0.00 H new ATOM 0 HE ARG A 32 2.763 3.919 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.492 2.242 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.997 3.125 -2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.699 5.052 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.114 4.709 -0.930 1.00 0.00 H new ATOM 424 N GLN A 33 4.636 -1.444 -1.057 1.00 0.00 N ATOM 425 CA GLN A 33 5.612 -1.619 0.012 1.00 0.00 C ATOM 426 C GLN A 33 6.079 -0.270 0.550 1.00 0.00 C ATOM 427 O GLN A 33 6.263 0.683 -0.209 1.00 0.00 O ATOM 428 CB GLN A 33 6.812 -2.423 -0.492 1.00 0.00 C ATOM 429 CG GLN A 33 7.747 -2.879 0.617 1.00 0.00 C ATOM 430 CD GLN A 33 8.374 -4.230 0.333 1.00 0.00 C ATOM 431 OE1 GLN A 33 8.468 -4.653 -0.820 1.00 0.00 O ATOM 432 NE2 GLN A 33 8.809 -4.914 1.384 1.00 0.00 N ATOM 0 H GLN A 33 5.039 -1.185 -1.958 1.00 0.00 H new ATOM 0 HA GLN A 33 5.131 -2.166 0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.451 -3.297 -1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.373 -1.816 -1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.535 -2.138 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.194 -2.929 1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.711 -4.525 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.242 -5.829 1.254 1.00 0.00 H new ATOM 441 N LEU A 34 6.267 -0.196 1.863 1.00 0.00 N ATOM 442 CA LEU A 34 6.712 1.037 2.503 1.00 0.00 C ATOM 443 C LEU A 34 8.209 0.991 2.792 1.00 0.00 C ATOM 444 O LEU A 34 8.826 -0.073 2.833 1.00 0.00 O ATOM 445 CB LEU A 34 5.937 1.269 3.801 1.00 0.00 C ATOM 446 CG LEU A 34 4.531 1.851 3.649 1.00 0.00 C ATOM 447 CD1 LEU A 34 3.990 2.300 4.998 1.00 0.00 C ATOM 448 CD2 LEU A 34 4.537 3.009 2.662 1.00 0.00 C ATOM 0 H LEU A 34 6.118 -0.975 2.505 1.00 0.00 H new ATOM 0 HA LEU A 34 6.518 1.863 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.860 0.319 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.519 1.939 4.433 1.00 0.00 H new ATOM 0 HG LEU A 34 3.876 1.072 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.989 2.711 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.948 1.447 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.645 3.064 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.528 3.411 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.206 3.790 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.881 2.656 1.690 1.00 0.00 H new ATOM 460 N PRO A 35 8.808 2.173 3.000 1.00 0.00 N ATOM 461 CA PRO A 35 10.240 2.294 3.292 1.00 0.00 C ATOM 462 C PRO A 35 10.596 1.760 4.675 1.00 0.00 C ATOM 463 O PRO A 35 11.732 1.899 5.131 1.00 0.00 O ATOM 464 CB PRO A 35 10.490 3.803 3.221 1.00 0.00 C ATOM 465 CG PRO A 35 9.168 4.420 3.524 1.00 0.00 C ATOM 466 CD PRO A 35 8.135 3.482 2.966 1.00 0.00 C ATOM 0 HA PRO A 35 10.848 1.714 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.246 4.113 3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 35 10.849 4.099 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.036 4.552 4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.085 5.407 3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.226 3.482 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.847 3.759 1.952 1.00 0.00 H new ATOM 474 N CYS A 36 9.621 1.147 5.337 1.00 0.00 N ATOM 475 CA CYS A 36 9.831 0.591 6.668 1.00 0.00 C ATOM 476 C CYS A 36 9.712 -0.930 6.647 1.00 0.00 C ATOM 477 O CYS A 36 9.644 -1.571 7.695 1.00 0.00 O ATOM 478 CB CYS A 36 8.821 1.180 7.655 1.00 0.00 C ATOM 479 SG CYS A 36 7.103 1.181 7.048 1.00 0.00 S ATOM 0 H CYS A 36 8.676 1.023 4.973 1.00 0.00 H new ATOM 0 HA CYS A 36 10.839 0.854 6.990 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.866 0.614 8.586 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.113 2.204 7.890 1.00 0.00 H new ATOM 484 N ASN A 37 9.687 -1.499 5.447 1.00 0.00 N ATOM 485 CA ASN A 37 9.576 -2.945 5.289 1.00 0.00 C ATOM 486 C ASN A 37 8.156 -3.417 5.588 1.00 0.00 C ATOM 487 O ASN A 37 7.948 -4.538 6.054 1.00 0.00 O ATOM 488 CB ASN A 37 10.567 -3.658 6.212 1.00 0.00 C ATOM 489 CG ASN A 37 11.796 -2.817 6.499 1.00 0.00 C ATOM 490 OD1 ASN A 37 12.601 -2.549 5.607 1.00 0.00 O ATOM 491 ND2 ASN A 37 11.947 -2.398 7.750 1.00 0.00 N ATOM 0 H ASN A 37 9.742 -0.982 4.570 1.00 0.00 H new ATOM 0 HA ASN A 37 9.812 -3.191 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.072 -3.905 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.873 -4.599 5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.755 -1.830 8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.255 -2.644 8.457 1.00 0.00 H new ATOM 498 N HIS A 38 7.182 -2.555 5.315 1.00 0.00 N ATOM 499 CA HIS A 38 5.781 -2.884 5.553 1.00 0.00 C ATOM 500 C HIS A 38 4.961 -2.725 4.276 1.00 0.00 C ATOM 501 O HIS A 38 4.984 -1.672 3.638 1.00 0.00 O ATOM 502 CB HIS A 38 5.207 -1.993 6.656 1.00 0.00 C ATOM 503 CG HIS A 38 5.707 -2.337 8.025 1.00 0.00 C ATOM 504 ND1 HIS A 38 6.141 -1.389 8.927 1.00 0.00 N ATOM 505 CD2 HIS A 38 5.840 -3.533 8.644 1.00 0.00 C ATOM 506 CE1 HIS A 38 6.520 -1.988 10.042 1.00 0.00 C ATOM 507 NE2 HIS A 38 6.348 -3.289 9.897 1.00 0.00 N ATOM 0 H HIS A 38 7.337 -1.624 4.929 1.00 0.00 H new ATOM 0 HA HIS A 38 5.726 -3.925 5.871 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.455 -0.954 6.438 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.120 -2.070 6.645 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.593 -4.499 8.230 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.905 -1.497 10.923 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.558 -3.997 10.600 1.00 0.00 H new ATOM 515 N LEU A 39 4.239 -3.778 3.908 1.00 0.00 N ATOM 516 CA LEU A 39 3.412 -3.756 2.707 1.00 0.00 C ATOM 517 C LEU A 39 1.961 -3.436 3.050 1.00 0.00 C ATOM 518 O LEU A 39 1.520 -3.643 4.180 1.00 0.00 O ATOM 519 CB LEU A 39 3.493 -5.102 1.984 1.00 0.00 C ATOM 520 CG LEU A 39 4.707 -5.305 1.077 1.00 0.00 C ATOM 521 CD1 LEU A 39 5.084 -6.777 1.012 1.00 0.00 C ATOM 522 CD2 LEU A 39 4.429 -4.762 -0.317 1.00 0.00 C ATOM 0 H LEU A 39 4.210 -4.657 4.424 1.00 0.00 H new ATOM 0 HA LEU A 39 3.791 -2.974 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.487 -5.895 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.592 -5.224 1.383 1.00 0.00 H new ATOM 0 HG LEU A 39 5.547 -4.754 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.950 -6.902 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.326 -7.135 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.246 -7.350 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.304 -4.915 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.575 -5.285 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.208 -3.696 -0.255 1.00 0.00 H new ATOM 534 N PHE A 40 1.223 -2.933 2.066 1.00 0.00 N ATOM 535 CA PHE A 40 -0.180 -2.586 2.264 1.00 0.00 C ATOM 536 C PHE A 40 -0.923 -2.545 0.932 1.00 0.00 C ATOM 537 O PHE A 40 -0.363 -2.153 -0.093 1.00 0.00 O ATOM 538 CB PHE A 40 -0.298 -1.232 2.968 1.00 0.00 C ATOM 539 CG PHE A 40 0.539 -1.128 4.211 1.00 0.00 C ATOM 540 CD1 PHE A 40 1.914 -0.980 4.125 1.00 0.00 C ATOM 541 CD2 PHE A 40 -0.049 -1.178 5.464 1.00 0.00 C ATOM 542 CE1 PHE A 40 2.687 -0.884 5.267 1.00 0.00 C ATOM 543 CE2 PHE A 40 0.719 -1.083 6.610 1.00 0.00 C ATOM 544 CZ PHE A 40 2.088 -0.935 6.511 1.00 0.00 C ATOM 0 H PHE A 40 1.573 -2.757 1.124 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.634 -3.354 2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.004 -0.444 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.342 -1.056 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.387 -0.939 3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.120 -1.293 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.758 -0.769 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.248 -1.125 7.581 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.690 -0.859 7.405 1.00 0.00 H new ATOM 554 N HIS A 41 -2.187 -2.955 0.954 1.00 0.00 N ATOM 555 CA HIS A 41 -3.008 -2.965 -0.252 1.00 0.00 C ATOM 556 C HIS A 41 -2.975 -1.606 -0.944 1.00 0.00 C ATOM 557 O HIS A 41 -3.097 -0.566 -0.296 1.00 0.00 O ATOM 558 CB HIS A 41 -4.450 -3.342 0.091 1.00 0.00 C ATOM 559 CG HIS A 41 -4.638 -4.801 0.371 1.00 0.00 C ATOM 560 ND1 HIS A 41 -5.358 -5.274 1.447 1.00 0.00 N ATOM 561 CD2 HIS A 41 -4.195 -5.894 -0.294 1.00 0.00 C ATOM 562 CE1 HIS A 41 -5.349 -6.595 1.434 1.00 0.00 C ATOM 563 NE2 HIS A 41 -4.651 -6.996 0.387 1.00 0.00 N ATOM 0 H HIS A 41 -2.665 -3.284 1.793 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.598 -3.709 -0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.769 -2.769 0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.099 -3.053 -0.736 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.595 -5.898 -1.192 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.830 -7.237 2.156 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.479 -7.967 0.126 1.00 0.00 H new ATOM 571 N ASP A 42 -2.810 -1.622 -2.262 1.00 0.00 N ATOM 572 CA ASP A 42 -2.762 -0.391 -3.042 1.00 0.00 C ATOM 573 C ASP A 42 -4.072 0.381 -2.921 1.00 0.00 C ATOM 574 O ASP A 42 -4.180 1.516 -3.385 1.00 0.00 O ATOM 575 CB ASP A 42 -2.473 -0.704 -4.511 1.00 0.00 C ATOM 576 CG ASP A 42 -2.426 0.544 -5.370 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.345 1.163 -5.458 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.471 0.903 -5.953 1.00 0.00 O ATOM 0 H ASP A 42 -2.707 -2.474 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.958 0.230 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.521 -1.230 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.240 -1.377 -4.894 1.00 0.00 H new ATOM 583 N SER A 43 -5.065 -0.244 -2.296 1.00 0.00 N ATOM 584 CA SER A 43 -6.370 0.382 -2.119 1.00 0.00 C ATOM 585 C SER A 43 -6.616 0.718 -0.651 1.00 0.00 C ATOM 586 O SER A 43 -7.620 1.342 -0.304 1.00 0.00 O ATOM 587 CB SER A 43 -7.476 -0.540 -2.635 1.00 0.00 C ATOM 588 OG SER A 43 -8.758 -0.022 -2.324 1.00 0.00 O ATOM 0 H SER A 43 -4.991 -1.183 -1.904 1.00 0.00 H new ATOM 0 HA SER A 43 -6.382 1.308 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.380 -0.659 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.364 -1.530 -2.194 1.00 0.00 H new ATOM 0 HG SER A 43 -8.696 0.551 -1.531 1.00 0.00 H new ATOM 594 N CYS A 44 -5.693 0.300 0.208 1.00 0.00 N ATOM 595 CA CYS A 44 -5.808 0.555 1.639 1.00 0.00 C ATOM 596 C CYS A 44 -4.797 1.607 2.087 1.00 0.00 C ATOM 597 O CYS A 44 -5.075 2.409 2.979 1.00 0.00 O ATOM 598 CB CYS A 44 -5.596 -0.740 2.427 1.00 0.00 C ATOM 599 SG CYS A 44 -6.906 -1.982 2.181 1.00 0.00 S ATOM 0 H CYS A 44 -4.856 -0.217 -0.062 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.811 0.933 1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.639 -1.175 2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.532 -0.501 3.488 1.00 0.00 H new ATOM 604 N ILE A 45 -3.625 1.597 1.462 1.00 0.00 N ATOM 605 CA ILE A 45 -2.574 2.550 1.795 1.00 0.00 C ATOM 606 C ILE A 45 -2.750 3.854 1.025 1.00 0.00 C ATOM 607 O ILE A 45 -2.642 4.942 1.591 1.00 0.00 O ATOM 608 CB ILE A 45 -1.177 1.975 1.497 1.00 0.00 C ATOM 609 CG1 ILE A 45 -0.145 2.553 2.468 1.00 0.00 C ATOM 610 CG2 ILE A 45 -0.780 2.269 0.058 1.00 0.00 C ATOM 611 CD1 ILE A 45 -0.522 2.381 3.923 1.00 0.00 C ATOM 0 H ILE A 45 -3.379 0.939 0.722 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.655 2.748 2.864 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.209 0.894 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.817 2.073 2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.015 3.615 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.210 1.857 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.503 1.814 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.762 3.347 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.255 2.814 4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.469 2.885 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.624 1.320 4.149 1.00 0.00 H new ATOM 623 N VAL A 46 -3.024 3.737 -0.271 1.00 0.00 N ATOM 624 CA VAL A 46 -3.219 4.907 -1.120 1.00 0.00 C ATOM 625 C VAL A 46 -4.055 5.967 -0.411 1.00 0.00 C ATOM 626 O VAL A 46 -3.632 7.110 -0.235 1.00 0.00 O ATOM 627 CB VAL A 46 -3.906 4.529 -2.446 1.00 0.00 C ATOM 628 CG1 VAL A 46 -4.796 5.664 -2.928 1.00 0.00 C ATOM 629 CG2 VAL A 46 -2.868 4.170 -3.499 1.00 0.00 C ATOM 0 H VAL A 46 -3.116 2.844 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.230 5.312 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.534 3.655 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.273 5.379 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.561 5.869 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.193 6.558 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.370 3.905 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.213 5.024 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.276 3.323 -3.153 1.00 0.00 H new ATOM 639 N PRO A 47 -5.270 5.581 0.006 1.00 0.00 N ATOM 640 CA PRO A 47 -6.191 6.484 0.703 1.00 0.00 C ATOM 641 C PRO A 47 -5.710 6.830 2.108 1.00 0.00 C ATOM 642 O PRO A 47 -6.235 7.742 2.747 1.00 0.00 O ATOM 643 CB PRO A 47 -7.494 5.683 0.765 1.00 0.00 C ATOM 644 CG PRO A 47 -7.066 4.258 0.698 1.00 0.00 C ATOM 645 CD PRO A 47 -5.838 4.235 -0.171 1.00 0.00 C ATOM 0 HA PRO A 47 -6.288 7.442 0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.042 5.889 1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.155 5.937 -0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.848 3.869 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.854 3.633 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.139 3.459 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.087 4.038 -1.214 1.00 0.00 H new ATOM 653 N TRP A 48 -4.711 6.096 2.584 1.00 0.00 N ATOM 654 CA TRP A 48 -4.160 6.326 3.915 1.00 0.00 C ATOM 655 C TRP A 48 -3.076 7.398 3.877 1.00 0.00 C ATOM 656 O TRP A 48 -3.178 8.421 4.555 1.00 0.00 O ATOM 657 CB TRP A 48 -3.589 5.026 4.484 1.00 0.00 C ATOM 658 CG TRP A 48 -2.818 5.223 5.755 1.00 0.00 C ATOM 659 CD1 TRP A 48 -1.471 5.411 5.875 1.00 0.00 C ATOM 660 CD2 TRP A 48 -3.349 5.248 7.084 1.00 0.00 C ATOM 661 NE1 TRP A 48 -1.132 5.551 7.199 1.00 0.00 N ATOM 662 CE2 TRP A 48 -2.267 5.457 7.961 1.00 0.00 C ATOM 663 CE3 TRP A 48 -4.633 5.117 7.619 1.00 0.00 C ATOM 664 CZ2 TRP A 48 -2.432 5.535 9.341 1.00 0.00 C ATOM 665 CZ3 TRP A 48 -4.796 5.195 8.989 1.00 0.00 C ATOM 666 CH2 TRP A 48 -3.700 5.404 9.838 1.00 0.00 C ATOM 0 H TRP A 48 -4.266 5.337 2.069 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.967 6.674 4.560 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.406 4.328 4.667 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.938 4.567 3.740 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.774 5.445 5.050 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -0.189 5.701 7.557 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.484 4.958 6.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.588 5.693 9.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.784 5.093 9.413 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.860 5.463 10.905 1.00 0.00 H new ATOM 677 N LEU A 49 -2.040 7.158 3.082 1.00 0.00 N ATOM 678 CA LEU A 49 -0.937 8.104 2.956 1.00 0.00 C ATOM 679 C LEU A 49 -1.447 9.486 2.561 1.00 0.00 C ATOM 680 O LEU A 49 -0.894 10.504 2.976 1.00 0.00 O ATOM 681 CB LEU A 49 0.073 7.606 1.920 1.00 0.00 C ATOM 682 CG LEU A 49 0.454 6.128 2.012 1.00 0.00 C ATOM 683 CD1 LEU A 49 1.406 5.751 0.886 1.00 0.00 C ATOM 684 CD2 LEU A 49 1.078 5.821 3.365 1.00 0.00 C ATOM 0 H LEU A 49 -1.940 6.316 2.515 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.446 8.181 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.333 7.795 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.981 8.201 2.012 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.453 5.532 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.666 4.696 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.924 5.933 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.311 6.354 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.343 4.765 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.975 6.426 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.364 6.052 4.156 1.00 0.00 H new ATOM 696 N GLU A 50 -2.507 9.513 1.759 1.00 0.00 N ATOM 697 CA GLU A 50 -3.092 10.771 1.310 1.00 0.00 C ATOM 698 C GLU A 50 -3.834 11.463 2.450 1.00 0.00 C ATOM 699 O GLU A 50 -4.438 12.519 2.260 1.00 0.00 O ATOM 700 CB GLU A 50 -4.047 10.526 0.140 1.00 0.00 C ATOM 701 CG GLU A 50 -3.347 10.084 -1.134 1.00 0.00 C ATOM 702 CD GLU A 50 -2.598 11.215 -1.812 1.00 0.00 C ATOM 703 OE1 GLU A 50 -1.603 11.698 -1.232 1.00 0.00 O ATOM 704 OE2 GLU A 50 -3.008 11.618 -2.920 1.00 0.00 O ATOM 0 H GLU A 50 -2.978 8.679 1.407 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.282 11.421 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.774 9.766 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.605 11.441 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.649 9.280 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.084 9.675 -1.826 1.00 0.00 H new ATOM 711 N GLN A 51 -3.784 10.860 3.633 1.00 0.00 N ATOM 712 CA GLN A 51 -4.452 11.418 4.803 1.00 0.00 C ATOM 713 C GLN A 51 -3.480 11.558 5.970 1.00 0.00 C ATOM 714 O GLN A 51 -3.554 12.515 6.741 1.00 0.00 O ATOM 715 CB GLN A 51 -5.633 10.535 5.211 1.00 0.00 C ATOM 716 CG GLN A 51 -6.922 10.865 4.476 1.00 0.00 C ATOM 717 CD GLN A 51 -8.158 10.544 5.293 1.00 0.00 C ATOM 718 OE1 GLN A 51 -8.078 10.331 6.503 1.00 0.00 O ATOM 719 NE2 GLN A 51 -9.310 10.507 4.634 1.00 0.00 N ATOM 0 H GLN A 51 -3.288 9.986 3.807 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.821 12.409 4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.376 9.492 5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.799 10.638 6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.927 11.924 4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.955 10.308 3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.330 10.690 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.175 10.296 5.131 1.00 0.00 H new ATOM 728 N HIS A 52 -2.569 10.598 6.094 1.00 0.00 N ATOM 729 CA HIS A 52 -1.581 10.615 7.167 1.00 0.00 C ATOM 730 C HIS A 52 -0.177 10.831 6.610 1.00 0.00 C ATOM 731 O HIS A 52 0.645 11.512 7.222 1.00 0.00 O ATOM 732 CB HIS A 52 -1.634 9.308 7.958 1.00 0.00 C ATOM 733 CG HIS A 52 -3.022 8.890 8.333 1.00 0.00 C ATOM 734 ND1 HIS A 52 -3.572 9.137 9.574 1.00 0.00 N ATOM 735 CD2 HIS A 52 -3.974 8.241 7.624 1.00 0.00 C ATOM 736 CE1 HIS A 52 -4.802 8.655 9.611 1.00 0.00 C ATOM 737 NE2 HIS A 52 -5.070 8.107 8.440 1.00 0.00 N ATOM 0 H HIS A 52 -2.494 9.799 5.465 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.819 11.444 7.834 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.172 8.517 7.367 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.039 9.417 8.865 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.888 7.893 6.605 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.474 8.701 10.455 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -5.949 7.657 8.183 1.00 0.00 H new ATOM 745 N ASP A 53 0.089 10.245 5.448 1.00 0.00 N ATOM 746 CA ASP A 53 1.393 10.374 4.808 1.00 0.00 C ATOM 747 C ASP A 53 2.449 9.569 5.560 1.00 0.00 C ATOM 748 O ASP A 53 3.633 9.904 5.536 1.00 0.00 O ATOM 749 CB ASP A 53 1.809 11.844 4.739 1.00 0.00 C ATOM 750 CG ASP A 53 0.673 12.747 4.300 1.00 0.00 C ATOM 751 OD1 ASP A 53 -0.081 13.220 5.176 1.00 0.00 O ATOM 752 OD2 ASP A 53 0.537 12.980 3.081 1.00 0.00 O ATOM 0 H ASP A 53 -0.581 9.676 4.930 1.00 0.00 H new ATOM 0 HA ASP A 53 1.313 9.980 3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.166 12.164 5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.643 11.950 4.045 1.00 0.00 H new ATOM 757 N SER A 54 2.010 8.506 6.228 1.00 0.00 N ATOM 758 CA SER A 54 2.917 7.656 6.991 1.00 0.00 C ATOM 759 C SER A 54 2.389 6.226 7.062 1.00 0.00 C ATOM 760 O SER A 54 1.288 5.934 6.596 1.00 0.00 O ATOM 761 CB SER A 54 3.104 8.213 8.403 1.00 0.00 C ATOM 762 OG SER A 54 3.455 9.585 8.368 1.00 0.00 O ATOM 0 H SER A 54 1.033 8.213 6.256 1.00 0.00 H new ATOM 0 HA SER A 54 3.881 7.645 6.482 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.184 8.084 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.880 7.649 8.920 1.00 0.00 H new ATOM 0 HG SER A 54 3.567 9.917 9.283 1.00 0.00 H new ATOM 768 N CYS A 55 3.184 5.337 7.649 1.00 0.00 N ATOM 769 CA CYS A 55 2.800 3.937 7.781 1.00 0.00 C ATOM 770 C CYS A 55 1.707 3.770 8.833 1.00 0.00 C ATOM 771 O CYS A 55 1.836 4.215 9.974 1.00 0.00 O ATOM 772 CB CYS A 55 4.016 3.086 8.154 1.00 0.00 C ATOM 773 SG CYS A 55 3.650 1.313 8.351 1.00 0.00 S ATOM 0 H CYS A 55 4.098 5.562 8.041 1.00 0.00 H new ATOM 0 HA CYS A 55 2.410 3.601 6.820 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.779 3.205 7.385 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.439 3.464 9.085 1.00 0.00 H new ATOM 778 N PRO A 56 0.605 3.114 8.442 1.00 0.00 N ATOM 779 CA PRO A 56 -0.531 2.872 9.336 1.00 0.00 C ATOM 780 C PRO A 56 -0.202 1.865 10.433 1.00 0.00 C ATOM 781 O PRO A 56 -1.068 1.486 11.222 1.00 0.00 O ATOM 782 CB PRO A 56 -1.605 2.311 8.401 1.00 0.00 C ATOM 783 CG PRO A 56 -0.845 1.707 7.270 1.00 0.00 C ATOM 784 CD PRO A 56 0.384 2.556 7.097 1.00 0.00 C ATOM 0 HA PRO A 56 -0.834 3.777 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.220 1.567 8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.276 3.096 8.053 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.578 0.673 7.488 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.444 1.697 6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.237 1.965 6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.229 3.341 6.357 1.00 0.00 H new ATOM 792 N VAL A 57 1.055 1.435 10.478 1.00 0.00 N ATOM 793 CA VAL A 57 1.499 0.474 11.480 1.00 0.00 C ATOM 794 C VAL A 57 2.542 1.088 12.407 1.00 0.00 C ATOM 795 O VAL A 57 2.366 1.116 13.625 1.00 0.00 O ATOM 796 CB VAL A 57 2.091 -0.788 10.823 1.00 0.00 C ATOM 797 CG1 VAL A 57 2.658 -1.724 11.880 1.00 0.00 C ATOM 798 CG2 VAL A 57 1.039 -1.494 9.982 1.00 0.00 C ATOM 0 H VAL A 57 1.784 1.737 9.832 1.00 0.00 H new ATOM 0 HA VAL A 57 0.621 0.194 12.062 1.00 0.00 H new ATOM 0 HB VAL A 57 2.906 -0.486 10.165 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.072 -2.610 11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.444 -1.212 12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.865 -2.022 12.566 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.474 -2.383 9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.201 -1.785 10.616 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.686 -0.821 9.201 1.00 0.00 H new ATOM 808 N CYS A 58 3.629 1.580 11.822 1.00 0.00 N ATOM 809 CA CYS A 58 4.702 2.195 12.595 1.00 0.00 C ATOM 810 C CYS A 58 4.769 3.697 12.333 1.00 0.00 C ATOM 811 O CYS A 58 5.451 4.432 13.047 1.00 0.00 O ATOM 812 CB CYS A 58 6.043 1.545 12.251 1.00 0.00 C ATOM 813 SG CYS A 58 6.539 1.741 10.509 1.00 0.00 S ATOM 0 H CYS A 58 3.790 1.565 10.815 1.00 0.00 H new ATOM 0 HA CYS A 58 4.491 2.038 13.653 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.816 1.974 12.888 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.990 0.482 12.485 1.00 0.00 H new ATOM 818 N ARG A 59 4.057 4.145 11.304 1.00 0.00 N ATOM 819 CA ARG A 59 4.037 5.558 10.947 1.00 0.00 C ATOM 820 C ARG A 59 5.450 6.075 10.694 1.00 0.00 C ATOM 821 O ARG A 59 5.808 7.172 11.125 1.00 0.00 O ATOM 822 CB ARG A 59 3.373 6.377 12.056 1.00 0.00 C ATOM 823 CG ARG A 59 1.895 6.071 12.237 1.00 0.00 C ATOM 824 CD ARG A 59 1.683 4.843 13.108 1.00 0.00 C ATOM 825 NE ARG A 59 1.620 5.182 14.527 1.00 0.00 N ATOM 826 CZ ARG A 59 1.895 4.322 15.501 1.00 0.00 C ATOM 827 NH1 ARG A 59 2.250 3.078 15.210 1.00 0.00 N ATOM 828 NH2 ARG A 59 1.815 4.705 16.768 1.00 0.00 N ATOM 0 H ARG A 59 3.487 3.550 10.703 1.00 0.00 H new ATOM 0 HA ARG A 59 3.459 5.667 10.029 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.892 6.189 12.996 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.491 7.437 11.833 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.397 6.929 12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.433 5.911 11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.760 4.345 12.813 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.495 4.135 12.940 1.00 0.00 H new ATOM 0 HE ARG A 59 1.350 6.131 14.784 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.312 2.780 14.237 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.461 2.419 15.960 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.542 5.661 16.996 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.026 4.044 17.515 1.00 0.00 H new ATOM 842 N LYS A 60 6.249 5.278 9.993 1.00 0.00 N ATOM 843 CA LYS A 60 7.623 5.654 9.682 1.00 0.00 C ATOM 844 C LYS A 60 7.659 6.883 8.779 1.00 0.00 C ATOM 845 O LYS A 60 7.282 6.817 7.609 1.00 0.00 O ATOM 846 CB LYS A 60 8.351 4.491 9.006 1.00 0.00 C ATOM 847 CG LYS A 60 9.835 4.433 9.327 1.00 0.00 C ATOM 848 CD LYS A 60 10.079 3.996 10.762 1.00 0.00 C ATOM 849 CE LYS A 60 11.343 4.623 11.328 1.00 0.00 C ATOM 850 NZ LYS A 60 11.252 6.108 11.378 1.00 0.00 N ATOM 0 H LYS A 60 5.969 4.367 9.629 1.00 0.00 H new ATOM 0 HA LYS A 60 8.128 5.896 10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.885 3.554 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.224 4.572 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.329 3.740 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.282 5.414 9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.225 4.276 11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.160 2.910 10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.522 4.236 12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.197 4.332 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.850 6.467 12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.577 6.506 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.265 6.390 11.546 1.00 0.00 H new ATOM 864 N SER A 61 8.117 8.003 9.329 1.00 0.00 N ATOM 865 CA SER A 61 8.200 9.248 8.574 1.00 0.00 C ATOM 866 C SER A 61 8.685 8.988 7.151 1.00 0.00 C ATOM 867 O SER A 61 9.875 8.772 6.917 1.00 0.00 O ATOM 868 CB SER A 61 9.141 10.232 9.273 1.00 0.00 C ATOM 869 OG SER A 61 8.746 11.572 9.034 1.00 0.00 O ATOM 0 H SER A 61 8.436 8.074 10.295 1.00 0.00 H new ATOM 0 HA SER A 61 7.201 9.683 8.526 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.146 10.037 10.345 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.160 10.081 8.917 1.00 0.00 H new ATOM 0 HG SER A 61 9.362 12.181 9.492 1.00 0.00 H new ATOM 875 N LEU A 62 7.754 9.010 6.203 1.00 0.00 N ATOM 876 CA LEU A 62 8.084 8.778 4.801 1.00 0.00 C ATOM 877 C LEU A 62 8.663 10.036 4.162 1.00 0.00 C ATOM 878 O LEU A 62 8.327 10.380 3.028 1.00 0.00 O ATOM 879 CB LEU A 62 6.841 8.326 4.032 1.00 0.00 C ATOM 880 CG LEU A 62 5.991 7.248 4.705 1.00 0.00 C ATOM 881 CD1 LEU A 62 4.717 7.002 3.911 1.00 0.00 C ATOM 882 CD2 LEU A 62 6.785 5.959 4.856 1.00 0.00 C ATOM 0 H LEU A 62 6.765 9.186 6.380 1.00 0.00 H new ATOM 0 HA LEU A 62 8.837 7.991 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.212 9.198 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.156 7.955 3.057 1.00 0.00 H new ATOM 0 HG LEU A 62 5.714 7.598 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.124 6.232 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.139 7.925 3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.974 6.673 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.164 5.203 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.093 5.604 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.668 6.145 5.467 1.00 0.00 H new ATOM 894 N THR A 63 9.537 10.718 4.896 1.00 0.00 N ATOM 895 CA THR A 63 10.163 11.937 4.400 1.00 0.00 C ATOM 896 C THR A 63 11.490 12.199 5.105 1.00 0.00 C ATOM 897 O THR A 63 11.559 12.211 6.333 1.00 0.00 O ATOM 898 CB THR A 63 9.244 13.158 4.590 1.00 0.00 C ATOM 899 OG1 THR A 63 9.971 14.364 4.328 1.00 0.00 O ATOM 900 CG2 THR A 63 8.681 13.197 6.003 1.00 0.00 C ATOM 0 H THR A 63 9.827 10.447 5.836 1.00 0.00 H new ATOM 0 HA THR A 63 10.343 11.790 3.335 1.00 0.00 H new ATOM 0 HB THR A 63 8.415 13.074 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.379 15.136 4.449 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.035 14.068 6.113 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.104 12.291 6.190 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.500 13.260 6.719 1.00 0.00 H new ATOM 908 N GLY A 64 12.541 12.410 4.319 1.00 0.00 N ATOM 909 CA GLY A 64 13.851 12.669 4.886 1.00 0.00 C ATOM 910 C GLY A 64 14.765 13.403 3.924 1.00 0.00 C ATOM 911 O GLY A 64 15.148 14.546 4.173 1.00 0.00 O ATOM 0 H GLY A 64 12.508 12.406 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.739 13.257 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.313 11.724 5.172 1.00 0.00 H new ATOM 915 N GLN A 65 15.115 12.744 2.824 1.00 0.00 N ATOM 916 CA GLN A 65 15.991 13.341 1.824 1.00 0.00 C ATOM 917 C GLN A 65 15.300 13.408 0.466 1.00 0.00 C ATOM 918 O GLN A 65 15.197 14.476 -0.137 1.00 0.00 O ATOM 919 CB GLN A 65 17.289 12.540 1.709 1.00 0.00 C ATOM 920 CG GLN A 65 18.177 12.642 2.939 1.00 0.00 C ATOM 921 CD GLN A 65 18.739 14.035 3.140 1.00 0.00 C ATOM 922 OE1 GLN A 65 18.072 14.913 3.689 1.00 0.00 O ATOM 923 NE2 GLN A 65 19.972 14.247 2.695 1.00 0.00 N ATOM 0 H GLN A 65 14.805 11.797 2.603 1.00 0.00 H new ATOM 0 HA GLN A 65 16.226 14.357 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.045 11.492 1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 65 17.846 12.889 0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 65 17.604 12.355 3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 65 18.999 11.932 2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 65 20.489 13.491 2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 65 20.402 15.166 2.802 1.00 0.00 H new ATOM 932 N ASN A 66 14.828 12.261 -0.010 1.00 0.00 N ATOM 933 CA ASN A 66 14.147 12.189 -1.298 1.00 0.00 C ATOM 934 C ASN A 66 12.652 11.951 -1.110 1.00 0.00 C ATOM 935 O ASN A 66 12.220 10.833 -0.825 1.00 0.00 O ATOM 936 CB ASN A 66 14.749 11.074 -2.156 1.00 0.00 C ATOM 937 CG ASN A 66 14.729 9.730 -1.453 1.00 0.00 C ATOM 938 OD1 ASN A 66 14.757 9.659 -0.225 1.00 0.00 O ATOM 939 ND2 ASN A 66 14.682 8.656 -2.233 1.00 0.00 N ATOM 0 H ASN A 66 14.904 11.368 0.477 1.00 0.00 H new ATOM 0 HA ASN A 66 14.284 13.143 -1.807 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.195 11.000 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.776 11.331 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.668 7.724 -1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.660 8.763 -3.247 1.00 0.00 H new ATOM 946 N THR A 67 11.864 13.010 -1.274 1.00 0.00 N ATOM 947 CA THR A 67 10.418 12.917 -1.122 1.00 0.00 C ATOM 948 C THR A 67 9.756 12.479 -2.423 1.00 0.00 C ATOM 949 O THR A 67 9.753 13.217 -3.408 1.00 0.00 O ATOM 950 CB THR A 67 9.812 14.261 -0.677 1.00 0.00 C ATOM 951 OG1 THR A 67 10.462 14.722 0.512 1.00 0.00 O ATOM 952 CG2 THR A 67 8.318 14.125 -0.424 1.00 0.00 C ATOM 0 H THR A 67 12.204 13.942 -1.512 1.00 0.00 H new ATOM 0 HA THR A 67 10.228 12.170 -0.352 1.00 0.00 H new ATOM 0 HB THR A 67 9.964 14.985 -1.478 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.072 15.578 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.913 15.087 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.822 13.803 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.147 13.387 0.360 1.00 0.00 H new ATOM 960 N ALA A 68 9.194 11.275 -2.421 1.00 0.00 N ATOM 961 CA ALA A 68 8.526 10.741 -3.601 1.00 0.00 C ATOM 962 C ALA A 68 7.056 10.450 -3.315 1.00 0.00 C ATOM 963 O ALA A 68 6.533 9.404 -3.701 1.00 0.00 O ATOM 964 CB ALA A 68 9.231 9.482 -4.082 1.00 0.00 C ATOM 0 H ALA A 68 9.188 10.651 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 68 8.574 11.494 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.721 9.094 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.265 9.718 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.213 8.731 -3.293 1.00 0.00 H new ATOM 970 N THR A 69 6.394 11.381 -2.636 1.00 0.00 N ATOM 971 CA THR A 69 4.986 11.224 -2.297 1.00 0.00 C ATOM 972 C THR A 69 4.094 11.944 -3.302 1.00 0.00 C ATOM 973 O THR A 69 4.329 13.105 -3.634 1.00 0.00 O ATOM 974 CB THR A 69 4.684 11.760 -0.884 1.00 0.00 C ATOM 975 OG1 THR A 69 5.404 10.999 0.092 1.00 0.00 O ATOM 976 CG2 THR A 69 3.194 11.696 -0.588 1.00 0.00 C ATOM 0 H THR A 69 6.811 12.253 -2.310 1.00 0.00 H new ATOM 0 HA THR A 69 4.772 10.156 -2.326 1.00 0.00 H new ATOM 0 HB THR A 69 5.002 12.802 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.208 11.347 0.987 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.005 12.080 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.652 12.300 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.855 10.662 -0.651 1.00 0.00 H new ATOM 984 N ASN A 70 3.070 11.246 -3.784 1.00 0.00 N ATOM 985 CA ASN A 70 2.143 11.820 -4.752 1.00 0.00 C ATOM 986 C ASN A 70 1.259 12.877 -4.098 1.00 0.00 C ATOM 987 O ASN A 70 1.029 12.868 -2.889 1.00 0.00 O ATOM 988 CB ASN A 70 1.274 10.723 -5.369 1.00 0.00 C ATOM 989 CG ASN A 70 0.987 9.596 -4.396 1.00 0.00 C ATOM 990 OD1 ASN A 70 1.894 8.876 -3.978 1.00 0.00 O ATOM 991 ND2 ASN A 70 -0.280 9.439 -4.029 1.00 0.00 N ATOM 0 H ASN A 70 2.862 10.283 -3.520 1.00 0.00 H new ATOM 0 HA ASN A 70 2.727 12.297 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.332 11.156 -5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.774 10.320 -6.250 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.534 8.698 -3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.999 10.059 -4.401 1.00 0.00 H new ATOM 998 N PRO A 71 0.749 13.811 -4.915 1.00 0.00 N ATOM 999 CA PRO A 71 -0.119 14.892 -4.439 1.00 0.00 C ATOM 1000 C PRO A 71 -1.490 14.385 -4.004 1.00 0.00 C ATOM 1001 O PRO A 71 -2.009 13.399 -4.528 1.00 0.00 O ATOM 1002 CB PRO A 71 -0.250 15.806 -5.660 1.00 0.00 C ATOM 1003 CG PRO A 71 -0.012 14.913 -6.829 1.00 0.00 C ATOM 1004 CD PRO A 71 0.982 13.883 -6.368 1.00 0.00 C ATOM 0 HA PRO A 71 0.293 15.388 -3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.238 16.265 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.477 16.617 -5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.939 14.442 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.375 15.476 -7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.815 12.920 -6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.005 14.181 -6.597 1.00 0.00 H new ATOM 1012 N PRO A 72 -2.092 15.073 -3.023 1.00 0.00 N ATOM 1013 CA PRO A 72 -3.411 14.711 -2.496 1.00 0.00 C ATOM 1014 C PRO A 72 -4.528 14.975 -3.500 1.00 0.00 C ATOM 1015 O PRO A 72 -4.322 15.645 -4.511 1.00 0.00 O ATOM 1016 CB PRO A 72 -3.567 15.619 -1.273 1.00 0.00 C ATOM 1017 CG PRO A 72 -2.692 16.791 -1.558 1.00 0.00 C ATOM 1018 CD PRO A 72 -1.532 16.258 -2.352 1.00 0.00 C ATOM 0 HA PRO A 72 -3.480 13.648 -2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.605 15.924 -1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.261 15.109 -0.360 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.232 17.554 -2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.351 17.257 -0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.167 16.991 -3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.692 15.996 -1.709 1.00 0.00 H new ATOM 1026 N GLY A 73 -5.713 14.443 -3.214 1.00 0.00 N ATOM 1027 CA GLY A 73 -6.845 14.633 -4.102 1.00 0.00 C ATOM 1028 C GLY A 73 -7.280 16.082 -4.186 1.00 0.00 C ATOM 1029 O GLY A 73 -6.880 16.907 -3.363 1.00 0.00 O ATOM 0 H GLY A 73 -5.909 13.884 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.585 14.277 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.681 14.026 -3.755 1.00 0.00 H new ATOM 1033 N LEU A 74 -8.099 16.396 -5.183 1.00 0.00 N ATOM 1034 CA LEU A 74 -8.588 17.757 -5.373 1.00 0.00 C ATOM 1035 C LEU A 74 -9.892 17.979 -4.614 1.00 0.00 C ATOM 1036 O LEU A 74 -10.003 18.900 -3.804 1.00 0.00 O ATOM 1037 CB LEU A 74 -8.796 18.042 -6.861 1.00 0.00 C ATOM 1038 CG LEU A 74 -7.550 17.955 -7.742 1.00 0.00 C ATOM 1039 CD1 LEU A 74 -7.187 16.503 -8.013 1.00 0.00 C ATOM 1040 CD2 LEU A 74 -7.766 18.705 -9.049 1.00 0.00 C ATOM 0 H LEU A 74 -8.439 15.726 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.839 18.444 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.537 17.341 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.220 19.041 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.721 18.422 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.298 16.462 -8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.988 15.995 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.015 16.010 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.868 18.632 -9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.609 18.268 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.976 19.753 -8.837 1.00 0.00 H new ATOM 1052 N THR A 75 -10.878 17.127 -4.879 1.00 0.00 N ATOM 1053 CA THR A 75 -12.174 17.228 -4.221 1.00 0.00 C ATOM 1054 C THR A 75 -12.052 16.968 -2.723 1.00 0.00 C ATOM 1055 O THR A 75 -12.567 17.730 -1.907 1.00 0.00 O ATOM 1056 CB THR A 75 -13.188 16.237 -4.821 1.00 0.00 C ATOM 1057 OG1 THR A 75 -13.345 16.486 -6.223 1.00 0.00 O ATOM 1058 CG2 THR A 75 -14.536 16.355 -4.126 1.00 0.00 C ATOM 0 H THR A 75 -10.803 16.359 -5.546 1.00 0.00 H new ATOM 0 HA THR A 75 -12.532 18.245 -4.383 1.00 0.00 H new ATOM 0 HB THR A 75 -12.807 15.227 -4.672 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.990 15.851 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.236 15.645 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.418 16.137 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.921 17.367 -4.248 1.00 0.00 H new ATOM 1066 N GLY A 76 -11.365 15.886 -2.369 1.00 0.00 N ATOM 1067 CA GLY A 76 -11.187 15.545 -0.970 1.00 0.00 C ATOM 1068 C GLY A 76 -11.205 14.048 -0.731 1.00 0.00 C ATOM 1069 O GLY A 76 -11.880 13.565 0.178 1.00 0.00 O ATOM 0 H GLY A 76 -10.929 15.240 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.241 15.955 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.976 16.013 -0.382 1.00 0.00 H new ATOM 1073 N VAL A 77 -10.463 13.311 -1.551 1.00 0.00 N ATOM 1074 CA VAL A 77 -10.396 11.859 -1.425 1.00 0.00 C ATOM 1075 C VAL A 77 -11.745 11.282 -1.010 1.00 0.00 C ATOM 1076 O VAL A 77 -11.814 10.369 -0.188 1.00 0.00 O ATOM 1077 CB VAL A 77 -9.329 11.434 -0.399 1.00 0.00 C ATOM 1078 CG1 VAL A 77 -7.953 11.921 -0.826 1.00 0.00 C ATOM 1079 CG2 VAL A 77 -9.683 11.956 0.985 1.00 0.00 C ATOM 0 H VAL A 77 -9.900 13.695 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.123 11.467 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.305 10.345 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.212 11.611 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.700 11.493 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.959 13.008 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.918 11.646 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.737 13.044 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.648 11.552 1.290 1.00 0.00 H new ATOM 1089 N GLY A 78 -12.816 11.820 -1.585 1.00 0.00 N ATOM 1090 CA GLY A 78 -14.149 11.345 -1.262 1.00 0.00 C ATOM 1091 C GLY A 78 -15.124 12.479 -1.016 1.00 0.00 C ATOM 1092 O GLY A 78 -14.816 13.374 -0.231 1.00 0.00 O ATOM 0 H GLY A 78 -12.785 12.576 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.518 10.723 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.101 10.712 -0.376 1.00 0.00 H new TER 1096 GLY A 78 HETATM 1097 ZN ZN A 201 -6.132 -3.931 2.891 1.00 0.00 ZN HETATM 1098 ZN ZN A 401 5.778 0.469 8.909 1.00 0.00 ZN