USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 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+ -127:sc= 0.0694 (180deg=0) USER MOD Single : A 2 SER OG : rot 160:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.997 USER MOD Single : A 5 SER OG : rot 180:sc= -0.129 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -30:sc= 0.582 USER MOD Single : A 11 HIS : no HD1:sc= -0.973 K(o=-0.97,f=-0.2) 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= -1.41 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.038 K(o=-0.038,f=-0.65) USER MOD Single : A 37 ASN : amide:sc= -3.4! C(o=-3.4!,f=-2.8!) USER MOD Single : A 43 SER OG : rot -2:sc= 0.69! USER MOD Single : A 51 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -2.17 X(o=-2.2,f=-2.2) USER MOD Single : A 54 SER OG : rot 180:sc= -0.243 USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= -0.0726 (180deg=-0.414) 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= -0.0279 X(o=-0.028,f=-0.5) USER MOD Single : A 66 ASN : amide:sc= 0.0567 K(o=0.057,f=-7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 69 THR OG1 : rot 30:sc= 0.877 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.115 -17.967 4.219 1.00 0.00 N ATOM 2 CA GLY A 1 -3.670 -18.103 4.260 1.00 0.00 C ATOM 3 C GLY A 1 -3.199 -19.442 3.729 1.00 0.00 C ATOM 4 O GLY A 1 -3.971 -20.182 3.119 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.367 -17.090 3.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.526 -18.781 3.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.488 -17.932 5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.216 -17.303 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.326 -17.981 5.287 1.00 0.00 H new ATOM 8 N SER A 2 -1.928 -19.755 3.959 1.00 0.00 N ATOM 9 CA SER A 2 -1.353 -21.012 3.495 1.00 0.00 C ATOM 10 C SER A 2 -1.436 -22.081 4.581 1.00 0.00 C ATOM 11 O SER A 2 -1.178 -21.811 5.754 1.00 0.00 O ATOM 12 CB SER A 2 0.103 -20.807 3.075 1.00 0.00 C ATOM 13 OG SER A 2 0.689 -22.026 2.652 1.00 0.00 O ATOM 0 H SER A 2 -1.276 -19.155 4.464 1.00 0.00 H new ATOM 0 HA SER A 2 -1.928 -21.350 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.152 -20.077 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.671 -20.397 3.910 1.00 0.00 H new ATOM 0 HG SER A 2 1.477 -21.836 2.101 1.00 0.00 H new ATOM 19 N SER A 3 -1.797 -23.295 4.180 1.00 0.00 N ATOM 20 CA SER A 3 -1.918 -24.405 5.118 1.00 0.00 C ATOM 21 C SER A 3 -0.636 -25.233 5.148 1.00 0.00 C ATOM 22 O SER A 3 -0.361 -26.006 4.232 1.00 0.00 O ATOM 23 CB SER A 3 -3.104 -25.295 4.739 1.00 0.00 C ATOM 24 OG SER A 3 -2.891 -25.921 3.485 1.00 0.00 O ATOM 0 H SER A 3 -2.011 -23.535 3.212 1.00 0.00 H new ATOM 0 HA SER A 3 -2.087 -23.991 6.112 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.254 -26.054 5.507 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.014 -24.697 4.700 1.00 0.00 H new ATOM 0 HG SER A 3 -1.929 -25.973 3.304 1.00 0.00 H new ATOM 30 N GLY A 4 0.145 -25.063 6.211 1.00 0.00 N ATOM 31 CA GLY A 4 1.388 -25.800 6.342 1.00 0.00 C ATOM 32 C GLY A 4 2.220 -25.764 5.076 1.00 0.00 C ATOM 33 O GLY A 4 2.055 -26.605 4.192 1.00 0.00 O ATOM 0 H GLY A 4 -0.061 -24.429 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.968 -25.384 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.167 -26.836 6.598 1.00 0.00 H new ATOM 37 N SER A 5 3.116 -24.786 4.986 1.00 0.00 N ATOM 38 CA SER A 5 3.974 -24.641 3.815 1.00 0.00 C ATOM 39 C SER A 5 5.349 -25.249 4.070 1.00 0.00 C ATOM 40 O SER A 5 5.715 -25.528 5.212 1.00 0.00 O ATOM 41 CB SER A 5 4.117 -23.164 3.443 1.00 0.00 C ATOM 42 OG SER A 5 4.900 -23.007 2.272 1.00 0.00 O ATOM 0 H SER A 5 3.267 -24.083 5.709 1.00 0.00 H new ATOM 0 HA SER A 5 3.509 -25.174 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.130 -22.728 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.578 -22.621 4.268 1.00 0.00 H new ATOM 0 HG SER A 5 4.975 -22.055 2.054 1.00 0.00 H new ATOM 48 N SER A 6 6.108 -25.452 2.997 1.00 0.00 N ATOM 49 CA SER A 6 7.442 -26.031 3.103 1.00 0.00 C ATOM 50 C SER A 6 8.511 -24.999 2.756 1.00 0.00 C ATOM 51 O SER A 6 8.945 -24.899 1.609 1.00 0.00 O ATOM 52 CB SER A 6 7.569 -27.244 2.179 1.00 0.00 C ATOM 53 OG SER A 6 8.901 -27.726 2.151 1.00 0.00 O ATOM 0 H SER A 6 5.822 -25.224 2.045 1.00 0.00 H new ATOM 0 HA SER A 6 7.592 -26.351 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.900 -28.035 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.256 -26.972 1.171 1.00 0.00 H new ATOM 0 HG SER A 6 8.956 -28.502 1.555 1.00 0.00 H new ATOM 59 N GLY A 7 8.931 -24.231 3.757 1.00 0.00 N ATOM 60 CA GLY A 7 9.945 -23.217 3.539 1.00 0.00 C ATOM 61 C GLY A 7 9.357 -21.825 3.422 1.00 0.00 C ATOM 62 O GLY A 7 8.595 -21.389 4.287 1.00 0.00 O ATOM 0 H GLY A 7 8.587 -24.293 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.659 -23.238 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.499 -23.451 2.630 1.00 0.00 H new ATOM 66 N THR A 8 9.711 -21.121 2.351 1.00 0.00 N ATOM 67 CA THR A 8 9.216 -19.769 2.126 1.00 0.00 C ATOM 68 C THR A 8 9.455 -19.329 0.687 1.00 0.00 C ATOM 69 O THR A 8 10.590 -19.068 0.288 1.00 0.00 O ATOM 70 CB THR A 8 9.885 -18.760 3.078 1.00 0.00 C ATOM 71 OG1 THR A 8 9.798 -19.228 4.428 1.00 0.00 O ATOM 72 CG2 THR A 8 9.228 -17.392 2.966 1.00 0.00 C ATOM 0 H THR A 8 10.339 -21.466 1.625 1.00 0.00 H new ATOM 0 HA THR A 8 8.144 -19.788 2.324 1.00 0.00 H new ATOM 0 HB THR A 8 10.933 -18.666 2.794 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.986 -19.765 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.717 -16.696 3.648 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.323 -17.026 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.173 -17.473 3.226 1.00 0.00 H new ATOM 80 N GLU A 9 8.378 -19.247 -0.089 1.00 0.00 N ATOM 81 CA GLU A 9 8.473 -18.837 -1.485 1.00 0.00 C ATOM 82 C GLU A 9 8.096 -17.368 -1.648 1.00 0.00 C ATOM 83 O GLU A 9 7.347 -16.816 -0.842 1.00 0.00 O ATOM 84 CB GLU A 9 7.566 -19.708 -2.358 1.00 0.00 C ATOM 85 CG GLU A 9 7.746 -19.472 -3.848 1.00 0.00 C ATOM 86 CD GLU A 9 8.940 -20.215 -4.416 1.00 0.00 C ATOM 87 OE1 GLU A 9 9.085 -21.419 -4.120 1.00 0.00 O ATOM 88 OE2 GLU A 9 9.728 -19.592 -5.157 1.00 0.00 O ATOM 0 H GLU A 9 7.431 -19.459 0.225 1.00 0.00 H new ATOM 0 HA GLU A 9 9.507 -18.966 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.763 -20.757 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.527 -19.517 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.844 -19.786 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.866 -18.404 -4.031 1.00 0.00 H new ATOM 95 N GLU A 10 8.621 -16.740 -2.696 1.00 0.00 N ATOM 96 CA GLU A 10 8.340 -15.335 -2.963 1.00 0.00 C ATOM 97 C GLU A 10 6.850 -15.040 -2.818 1.00 0.00 C ATOM 98 O GLU A 10 6.010 -15.737 -3.388 1.00 0.00 O ATOM 99 CB GLU A 10 8.812 -14.956 -4.368 1.00 0.00 C ATOM 100 CG GLU A 10 10.310 -14.721 -4.465 1.00 0.00 C ATOM 101 CD GLU A 10 11.116 -15.793 -3.758 1.00 0.00 C ATOM 102 OE1 GLU A 10 11.028 -15.879 -2.515 1.00 0.00 O ATOM 103 OE2 GLU A 10 11.833 -16.547 -4.448 1.00 0.00 O ATOM 0 H GLU A 10 9.243 -17.182 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 10 8.883 -14.737 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.531 -15.748 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.290 -14.054 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.601 -14.686 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.550 -13.749 -4.035 1.00 0.00 H new ATOM 110 N HIS A 11 6.530 -14.003 -2.050 1.00 0.00 N ATOM 111 CA HIS A 11 5.141 -13.616 -1.830 1.00 0.00 C ATOM 112 C HIS A 11 4.256 -14.845 -1.651 1.00 0.00 C ATOM 113 O HIS A 11 3.151 -14.911 -2.190 1.00 0.00 O ATOM 114 CB HIS A 11 4.633 -12.773 -2.999 1.00 0.00 C ATOM 115 CG HIS A 11 3.563 -11.798 -2.615 1.00 0.00 C ATOM 116 ND1 HIS A 11 2.622 -11.323 -3.504 1.00 0.00 N ATOM 117 CD2 HIS A 11 3.286 -11.210 -1.427 1.00 0.00 C ATOM 118 CE1 HIS A 11 1.814 -10.484 -2.881 1.00 0.00 C ATOM 119 NE2 HIS A 11 2.196 -10.398 -1.620 1.00 0.00 N ATOM 0 H HIS A 11 7.213 -13.416 -1.570 1.00 0.00 H new ATOM 0 HA HIS A 11 5.096 -13.022 -0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 11 5.471 -12.228 -3.434 1.00 0.00 H new ATOM 0 HB3 HIS A 11 4.248 -13.436 -3.774 1.00 0.00 H new ATOM 0 HD2 HIS A 11 3.822 -11.353 -0.501 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.983 -9.958 -3.327 1.00 0.00 H new ATOM 0 HE2 HIS A 11 1.753 -9.821 -0.905 1.00 0.00 H new ATOM 127 N VAL A 12 4.749 -15.818 -0.891 1.00 0.00 N ATOM 128 CA VAL A 12 4.002 -17.045 -0.640 1.00 0.00 C ATOM 129 C VAL A 12 2.787 -16.780 0.240 1.00 0.00 C ATOM 130 O VAL A 12 1.870 -17.597 0.314 1.00 0.00 O ATOM 131 CB VAL A 12 4.886 -18.113 0.032 1.00 0.00 C ATOM 132 CG1 VAL A 12 5.459 -17.586 1.339 1.00 0.00 C ATOM 133 CG2 VAL A 12 4.095 -19.391 0.264 1.00 0.00 C ATOM 0 H VAL A 12 5.662 -15.780 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 12 3.670 -17.416 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 12 5.717 -18.344 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.081 -18.354 1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.063 -16.701 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.644 -17.325 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.735 -20.134 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.243 -19.179 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.739 -19.777 -0.691 1.00 0.00 H new ATOM 143 N GLY A 13 2.786 -15.629 0.907 1.00 0.00 N ATOM 144 CA GLY A 13 1.677 -15.275 1.775 1.00 0.00 C ATOM 145 C GLY A 13 1.937 -15.636 3.224 1.00 0.00 C ATOM 146 O GLY A 13 1.069 -16.191 3.898 1.00 0.00 O ATOM 0 H GLY A 13 3.533 -14.936 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.487 -14.204 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.775 -15.783 1.433 1.00 0.00 H new ATOM 150 N SER A 14 3.136 -15.321 3.705 1.00 0.00 N ATOM 151 CA SER A 14 3.509 -15.621 5.082 1.00 0.00 C ATOM 152 C SER A 14 3.196 -14.442 5.999 1.00 0.00 C ATOM 153 O SER A 14 3.928 -13.454 6.029 1.00 0.00 O ATOM 154 CB SER A 14 4.998 -15.965 5.166 1.00 0.00 C ATOM 155 OG SER A 14 5.211 -17.354 4.981 1.00 0.00 O ATOM 0 H SER A 14 3.865 -14.858 3.162 1.00 0.00 H new ATOM 0 HA SER A 14 2.925 -16.481 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.547 -15.405 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.391 -15.659 6.136 1.00 0.00 H new ATOM 0 HG SER A 14 6.170 -17.548 5.037 1.00 0.00 H new ATOM 161 N GLY A 15 2.101 -14.555 6.745 1.00 0.00 N ATOM 162 CA GLY A 15 1.709 -13.492 7.652 1.00 0.00 C ATOM 163 C GLY A 15 2.046 -12.116 7.113 1.00 0.00 C ATOM 164 O GLY A 15 2.653 -11.300 7.809 1.00 0.00 O ATOM 0 H GLY A 15 1.479 -15.363 6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.637 -13.554 7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.207 -13.635 8.611 1.00 0.00 H new ATOM 168 N LEU A 16 1.654 -11.857 5.871 1.00 0.00 N ATOM 169 CA LEU A 16 1.920 -10.569 5.238 1.00 0.00 C ATOM 170 C LEU A 16 0.620 -9.822 4.956 1.00 0.00 C ATOM 171 O LEU A 16 0.637 -8.680 4.499 1.00 0.00 O ATOM 172 CB LEU A 16 2.698 -10.770 3.936 1.00 0.00 C ATOM 173 CG LEU A 16 2.308 -11.990 3.101 1.00 0.00 C ATOM 174 CD1 LEU A 16 0.808 -12.006 2.848 1.00 0.00 C ATOM 175 CD2 LEU A 16 3.073 -12.004 1.786 1.00 0.00 C ATOM 0 H LEU A 16 1.151 -12.521 5.282 1.00 0.00 H new ATOM 0 HA LEU A 16 2.520 -9.971 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.573 -9.879 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.758 -10.844 4.178 1.00 0.00 H new ATOM 0 HG LEU A 16 2.571 -12.888 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.549 -12.881 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.279 -12.045 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.520 -11.103 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.782 -12.879 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.842 -11.101 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.143 -12.042 1.988 1.00 0.00 H new ATOM 187 N GLU A 17 -0.504 -10.475 5.235 1.00 0.00 N ATOM 188 CA GLU A 17 -1.812 -9.871 5.013 1.00 0.00 C ATOM 189 C GLU A 17 -1.789 -8.383 5.350 1.00 0.00 C ATOM 190 O GLU A 17 -1.169 -7.966 6.330 1.00 0.00 O ATOM 191 CB GLU A 17 -2.875 -10.579 5.856 1.00 0.00 C ATOM 192 CG GLU A 17 -2.579 -10.566 7.346 1.00 0.00 C ATOM 193 CD GLU A 17 -3.492 -11.488 8.130 1.00 0.00 C ATOM 194 OE1 GLU A 17 -4.080 -12.403 7.518 1.00 0.00 O ATOM 195 OE2 GLU A 17 -3.617 -11.294 9.358 1.00 0.00 O ATOM 0 H GLU A 17 -0.535 -11.421 5.615 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.061 -9.983 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.840 -10.104 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.963 -11.612 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.543 -10.862 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.684 -9.549 7.725 1.00 0.00 H new ATOM 202 N CYS A 18 -2.467 -7.586 4.531 1.00 0.00 N ATOM 203 CA CYS A 18 -2.524 -6.144 4.740 1.00 0.00 C ATOM 204 C CYS A 18 -3.035 -5.817 6.140 1.00 0.00 C ATOM 205 O CYS A 18 -4.084 -6.295 6.572 1.00 0.00 O ATOM 206 CB CYS A 18 -3.426 -5.491 3.690 1.00 0.00 C ATOM 207 SG CYS A 18 -4.092 -3.870 4.187 1.00 0.00 S ATOM 0 H CYS A 18 -2.985 -7.915 3.716 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.514 -5.747 4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.862 -5.372 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.257 -6.162 3.472 1.00 0.00 H new ATOM 212 N PRO A 19 -2.277 -4.983 6.867 1.00 0.00 N ATOM 213 CA PRO A 19 -2.633 -4.572 8.228 1.00 0.00 C ATOM 214 C PRO A 19 -3.848 -3.650 8.257 1.00 0.00 C ATOM 215 O PRO A 19 -4.622 -3.657 9.213 1.00 0.00 O ATOM 216 CB PRO A 19 -1.386 -3.828 8.712 1.00 0.00 C ATOM 217 CG PRO A 19 -0.730 -3.339 7.467 1.00 0.00 C ATOM 218 CD PRO A 19 -1.014 -4.375 6.415 1.00 0.00 C ATOM 0 HA PRO A 19 -2.907 -5.423 8.851 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.649 -3.001 9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.725 -4.487 9.275 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.125 -2.366 7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.343 -3.216 7.614 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.115 -3.927 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.214 -5.112 6.351 1.00 0.00 H new ATOM 226 N VAL A 20 -4.009 -2.858 7.201 1.00 0.00 N ATOM 227 CA VAL A 20 -5.130 -1.932 7.105 1.00 0.00 C ATOM 228 C VAL A 20 -6.456 -2.648 7.334 1.00 0.00 C ATOM 229 O VAL A 20 -7.282 -2.209 8.135 1.00 0.00 O ATOM 230 CB VAL A 20 -5.167 -1.235 5.732 1.00 0.00 C ATOM 231 CG1 VAL A 20 -6.109 -0.041 5.763 1.00 0.00 C ATOM 232 CG2 VAL A 20 -3.767 -0.810 5.313 1.00 0.00 C ATOM 0 H VAL A 20 -3.377 -2.840 6.401 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.987 -1.181 7.882 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.543 -1.944 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.121 0.438 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.115 -0.377 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.767 0.673 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.811 -0.319 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.361 -0.118 6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.125 -1.688 5.247 1.00 0.00 H new ATOM 242 N CYS A 21 -6.655 -3.755 6.625 1.00 0.00 N ATOM 243 CA CYS A 21 -7.881 -4.534 6.750 1.00 0.00 C ATOM 244 C CYS A 21 -7.613 -5.858 7.460 1.00 0.00 C ATOM 245 O CYS A 21 -8.535 -6.508 7.954 1.00 0.00 O ATOM 246 CB CYS A 21 -8.486 -4.795 5.370 1.00 0.00 C ATOM 247 SG CYS A 21 -7.292 -5.405 4.137 1.00 0.00 S ATOM 0 H CYS A 21 -5.982 -4.132 5.958 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.589 -3.959 7.347 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.292 -5.522 5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.933 -3.872 5.001 1.00 0.00 H new ATOM 252 N LYS A 22 -6.345 -6.253 7.506 1.00 0.00 N ATOM 253 CA LYS A 22 -5.954 -7.498 8.155 1.00 0.00 C ATOM 254 C LYS A 22 -6.602 -8.697 7.469 1.00 0.00 C ATOM 255 O LYS A 22 -7.047 -9.635 8.129 1.00 0.00 O ATOM 256 CB LYS A 22 -6.346 -7.471 9.634 1.00 0.00 C ATOM 257 CG LYS A 22 -5.860 -6.233 10.369 1.00 0.00 C ATOM 258 CD LYS A 22 -4.484 -6.450 10.977 1.00 0.00 C ATOM 259 CE LYS A 22 -3.954 -5.179 11.624 1.00 0.00 C ATOM 260 NZ LYS A 22 -3.029 -5.476 12.753 1.00 0.00 N ATOM 0 H LYS A 22 -5.570 -5.728 7.101 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.872 -7.596 8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.431 -7.529 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.942 -8.357 10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.825 -5.390 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.569 -5.973 11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.535 -7.245 11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.791 -6.782 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.434 -4.580 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.790 -4.580 11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.690 -4.585 13.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.532 -6.026 13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.219 -6.025 12.402 1.00 0.00 H new ATOM 274 N GLU A 23 -6.650 -8.658 6.141 1.00 0.00 N ATOM 275 CA GLU A 23 -7.243 -9.742 5.367 1.00 0.00 C ATOM 276 C GLU A 23 -6.162 -10.621 4.744 1.00 0.00 C ATOM 277 O GLU A 23 -5.789 -11.653 5.302 1.00 0.00 O ATOM 278 CB GLU A 23 -8.152 -9.179 4.272 1.00 0.00 C ATOM 279 CG GLU A 23 -9.387 -8.475 4.809 1.00 0.00 C ATOM 280 CD GLU A 23 -10.569 -9.411 4.969 1.00 0.00 C ATOM 281 OE1 GLU A 23 -10.619 -10.132 5.988 1.00 0.00 O ATOM 282 OE2 GLU A 23 -11.442 -9.423 4.077 1.00 0.00 O ATOM 0 H GLU A 23 -6.286 -7.888 5.579 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.839 -10.354 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.581 -8.479 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.464 -9.992 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.153 -8.024 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.660 -7.663 4.135 1.00 0.00 H new ATOM 289 N ASP A 24 -5.665 -10.204 3.585 1.00 0.00 N ATOM 290 CA ASP A 24 -4.626 -10.952 2.886 1.00 0.00 C ATOM 291 C ASP A 24 -4.298 -10.302 1.545 1.00 0.00 C ATOM 292 O ASP A 24 -4.984 -9.378 1.108 1.00 0.00 O ATOM 293 CB ASP A 24 -5.069 -12.400 2.669 1.00 0.00 C ATOM 294 CG ASP A 24 -6.477 -12.499 2.117 1.00 0.00 C ATOM 295 OD1 ASP A 24 -6.661 -12.241 0.909 1.00 0.00 O ATOM 296 OD2 ASP A 24 -7.396 -12.834 2.893 1.00 0.00 O ATOM 0 H ASP A 24 -5.964 -9.353 3.110 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.728 -10.943 3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.378 -12.889 1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.014 -12.939 3.615 1.00 0.00 H new ATOM 301 N TYR A 25 -3.244 -10.789 0.900 1.00 0.00 N ATOM 302 CA TYR A 25 -2.822 -10.253 -0.389 1.00 0.00 C ATOM 303 C TYR A 25 -3.270 -11.162 -1.530 1.00 0.00 C ATOM 304 O TYR A 25 -3.979 -12.144 -1.314 1.00 0.00 O ATOM 305 CB TYR A 25 -1.302 -10.085 -0.422 1.00 0.00 C ATOM 306 CG TYR A 25 -0.802 -8.931 0.417 1.00 0.00 C ATOM 307 CD1 TYR A 25 -1.449 -7.701 0.397 1.00 0.00 C ATOM 308 CD2 TYR A 25 0.317 -9.070 1.229 1.00 0.00 C ATOM 309 CE1 TYR A 25 -0.995 -6.644 1.162 1.00 0.00 C ATOM 310 CE2 TYR A 25 0.777 -8.018 1.997 1.00 0.00 C ATOM 311 CZ TYR A 25 0.117 -6.807 1.960 1.00 0.00 C ATOM 312 OH TYR A 25 0.573 -5.757 2.724 1.00 0.00 O ATOM 0 H TYR A 25 -2.666 -11.554 1.248 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.291 -9.278 -0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.835 -11.006 -0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.983 -9.938 -1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.321 -7.569 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.836 -10.017 1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.509 -5.695 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.648 -8.143 2.623 1.00 0.00 H new ATOM 0 HH TYR A 25 1.202 -6.091 3.397 1.00 0.00 H new ATOM 322 N ALA A 26 -2.849 -10.827 -2.745 1.00 0.00 N ATOM 323 CA ALA A 26 -3.203 -11.613 -3.920 1.00 0.00 C ATOM 324 C ALA A 26 -2.317 -11.253 -5.108 1.00 0.00 C ATOM 325 O ALA A 26 -2.084 -10.076 -5.388 1.00 0.00 O ATOM 326 CB ALA A 26 -4.669 -11.407 -4.271 1.00 0.00 C ATOM 0 H ALA A 26 -2.262 -10.016 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.042 -12.665 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.919 -12.000 -5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.291 -11.720 -3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.848 -10.353 -4.481 1.00 0.00 H new ATOM 332 N LEU A 27 -1.825 -12.272 -5.803 1.00 0.00 N ATOM 333 CA LEU A 27 -0.964 -12.063 -6.962 1.00 0.00 C ATOM 334 C LEU A 27 -1.467 -10.901 -7.813 1.00 0.00 C ATOM 335 O LEU A 27 -0.692 -10.041 -8.228 1.00 0.00 O ATOM 336 CB LEU A 27 -0.895 -13.336 -7.807 1.00 0.00 C ATOM 337 CG LEU A 27 -0.276 -14.559 -7.129 1.00 0.00 C ATOM 338 CD1 LEU A 27 -0.645 -15.830 -7.880 1.00 0.00 C ATOM 339 CD2 LEU A 27 1.236 -14.411 -7.039 1.00 0.00 C ATOM 0 H LEU A 27 -2.007 -13.251 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 27 0.035 -11.819 -6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.906 -13.594 -8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.324 -13.118 -8.710 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.675 -14.630 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.196 -16.690 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.729 -15.944 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.275 -15.768 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.659 -15.290 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.652 -14.314 -8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.481 -13.522 -6.457 1.00 0.00 H new ATOM 351 N GLY A 28 -2.772 -10.882 -8.067 1.00 0.00 N ATOM 352 CA GLY A 28 -3.357 -9.821 -8.864 1.00 0.00 C ATOM 353 C GLY A 28 -3.616 -8.564 -8.057 1.00 0.00 C ATOM 354 O GLY A 28 -3.684 -7.467 -8.610 1.00 0.00 O ATOM 0 H GLY A 28 -3.434 -11.583 -7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.691 -9.585 -9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.294 -10.171 -9.297 1.00 0.00 H new ATOM 358 N GLU A 29 -3.761 -8.725 -6.745 1.00 0.00 N ATOM 359 CA GLU A 29 -4.016 -7.593 -5.862 1.00 0.00 C ATOM 360 C GLU A 29 -2.814 -6.654 -5.819 1.00 0.00 C ATOM 361 O GLU A 29 -1.735 -7.031 -5.361 1.00 0.00 O ATOM 362 CB GLU A 29 -4.345 -8.084 -4.450 1.00 0.00 C ATOM 363 CG GLU A 29 -5.824 -8.352 -4.228 1.00 0.00 C ATOM 364 CD GLU A 29 -6.177 -8.492 -2.760 1.00 0.00 C ATOM 365 OE1 GLU A 29 -5.521 -7.832 -1.927 1.00 0.00 O ATOM 366 OE2 GLU A 29 -7.108 -9.262 -2.443 1.00 0.00 O ATOM 0 H GLU A 29 -3.706 -9.627 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.870 -7.043 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.785 -8.998 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.007 -7.341 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.406 -7.539 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.107 -9.263 -4.755 1.00 0.00 H new ATOM 373 N SER A 30 -3.009 -5.430 -6.300 1.00 0.00 N ATOM 374 CA SER A 30 -1.941 -4.438 -6.321 1.00 0.00 C ATOM 375 C SER A 30 -1.505 -4.078 -4.904 1.00 0.00 C ATOM 376 O SER A 30 -2.213 -3.374 -4.184 1.00 0.00 O ATOM 377 CB SER A 30 -2.399 -3.180 -7.061 1.00 0.00 C ATOM 378 OG SER A 30 -1.365 -2.212 -7.110 1.00 0.00 O ATOM 0 H SER A 30 -3.897 -5.102 -6.680 1.00 0.00 H new ATOM 0 HA SER A 30 -1.089 -4.870 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.705 -3.441 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.272 -2.759 -6.563 1.00 0.00 H new ATOM 0 HG SER A 30 -1.682 -1.418 -7.589 1.00 0.00 H new ATOM 384 N VAL A 31 -0.334 -4.568 -4.509 1.00 0.00 N ATOM 385 CA VAL A 31 0.198 -4.298 -3.178 1.00 0.00 C ATOM 386 C VAL A 31 1.289 -3.235 -3.228 1.00 0.00 C ATOM 387 O VAL A 31 2.001 -3.109 -4.224 1.00 0.00 O ATOM 388 CB VAL A 31 0.769 -5.575 -2.532 1.00 0.00 C ATOM 389 CG1 VAL A 31 -0.297 -6.279 -1.707 1.00 0.00 C ATOM 390 CG2 VAL A 31 1.331 -6.505 -3.597 1.00 0.00 C ATOM 0 H VAL A 31 0.264 -5.154 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.632 -3.934 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 31 1.582 -5.291 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.125 -7.178 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.648 -5.611 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.133 -6.552 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.730 -7.402 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.539 -6.784 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.128 -5.997 -4.140 1.00 0.00 H new ATOM 400 N ARG A 32 1.415 -2.473 -2.146 1.00 0.00 N ATOM 401 CA ARG A 32 2.420 -1.420 -2.067 1.00 0.00 C ATOM 402 C ARG A 32 3.333 -1.630 -0.862 1.00 0.00 C ATOM 403 O ARG A 32 2.867 -1.930 0.236 1.00 0.00 O ATOM 404 CB ARG A 32 1.746 -0.049 -1.977 1.00 0.00 C ATOM 405 CG ARG A 32 2.557 0.979 -1.205 1.00 0.00 C ATOM 406 CD ARG A 32 2.360 2.379 -1.765 1.00 0.00 C ATOM 407 NE ARG A 32 3.189 3.365 -1.077 1.00 0.00 N ATOM 408 CZ ARG A 32 4.494 3.501 -1.282 1.00 0.00 C ATOM 409 NH1 ARG A 32 5.116 2.717 -2.152 1.00 0.00 N ATOM 410 NH2 ARG A 32 5.179 4.422 -0.617 1.00 0.00 N ATOM 0 H ARG A 32 0.834 -2.565 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 32 3.026 -1.461 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.566 0.325 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.772 -0.163 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.264 0.961 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.614 0.715 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.601 2.381 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.311 2.661 -1.675 1.00 0.00 H new ATOM 0 HE ARG A 32 2.741 3.984 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.592 2.008 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.118 2.823 -2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.703 5.027 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.181 4.525 -0.775 1.00 0.00 H new ATOM 424 N GLN A 33 4.635 -1.470 -1.079 1.00 0.00 N ATOM 425 CA GLN A 33 5.613 -1.643 -0.011 1.00 0.00 C ATOM 426 C GLN A 33 6.095 -0.293 0.509 1.00 0.00 C ATOM 427 O GLN A 33 6.305 0.643 -0.263 1.00 0.00 O ATOM 428 CB GLN A 33 6.802 -2.466 -0.509 1.00 0.00 C ATOM 429 CG GLN A 33 7.743 -2.908 0.600 1.00 0.00 C ATOM 430 CD GLN A 33 8.362 -4.266 0.333 1.00 0.00 C ATOM 431 OE1 GLN A 33 8.435 -4.714 -0.812 1.00 0.00 O ATOM 432 NE2 GLN A 33 8.812 -4.931 1.391 1.00 0.00 N ATOM 0 H GLN A 33 5.036 -1.221 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 33 5.130 -2.175 0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.430 -3.347 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.362 -1.877 -1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.535 -2.168 0.716 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.197 -2.941 1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.732 -4.523 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.238 -5.850 1.272 1.00 0.00 H new ATOM 441 N LEU A 34 6.269 -0.199 1.823 1.00 0.00 N ATOM 442 CA LEU A 34 6.727 1.037 2.447 1.00 0.00 C ATOM 443 C LEU A 34 8.225 0.983 2.729 1.00 0.00 C ATOM 444 O LEU A 34 8.834 -0.086 2.777 1.00 0.00 O ATOM 445 CB LEU A 34 5.961 1.289 3.747 1.00 0.00 C ATOM 446 CG LEU A 34 4.562 1.887 3.597 1.00 0.00 C ATOM 447 CD1 LEU A 34 4.042 2.372 4.941 1.00 0.00 C ATOM 448 CD2 LEU A 34 4.574 3.024 2.586 1.00 0.00 C ATOM 0 H LEU A 34 6.100 -0.964 2.476 1.00 0.00 H new ATOM 0 HA LEU A 34 6.536 1.857 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.875 0.344 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.555 1.957 4.371 1.00 0.00 H new ATOM 0 HG LEU A 34 3.892 1.109 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.045 2.794 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.996 1.534 5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.712 3.135 5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.570 3.438 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.258 3.803 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.903 2.647 1.618 1.00 0.00 H new ATOM 460 N PRO A 35 8.835 2.162 2.922 1.00 0.00 N ATOM 461 CA PRO A 35 10.269 2.275 3.205 1.00 0.00 C ATOM 462 C PRO A 35 10.629 1.751 4.591 1.00 0.00 C ATOM 463 O PRO A 35 11.772 1.871 5.033 1.00 0.00 O ATOM 464 CB PRO A 35 10.530 3.781 3.117 1.00 0.00 C ATOM 465 CG PRO A 35 9.215 4.411 3.422 1.00 0.00 C ATOM 466 CD PRO A 35 8.171 3.476 2.879 1.00 0.00 C ATOM 0 HA PRO A 35 10.869 1.684 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.293 4.093 3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 35 10.884 4.064 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.090 4.554 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.137 5.394 2.959 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.265 3.489 3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.879 3.746 1.864 1.00 0.00 H new ATOM 474 N CYS A 36 9.648 1.170 5.272 1.00 0.00 N ATOM 475 CA CYS A 36 9.861 0.627 6.608 1.00 0.00 C ATOM 476 C CYS A 36 9.717 -0.892 6.608 1.00 0.00 C ATOM 477 O CYS A 36 9.616 -1.517 7.663 1.00 0.00 O ATOM 478 CB CYS A 36 8.868 1.244 7.596 1.00 0.00 C ATOM 479 SG CYS A 36 7.146 1.264 7.004 1.00 0.00 S ATOM 0 H CYS A 36 8.697 1.063 4.920 1.00 0.00 H new ATOM 0 HA CYS A 36 10.876 0.878 6.917 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.912 0.689 8.533 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.177 2.266 7.815 1.00 0.00 H new ATOM 484 N ASN A 37 9.710 -1.480 5.415 1.00 0.00 N ATOM 485 CA ASN A 37 9.579 -2.926 5.277 1.00 0.00 C ATOM 486 C ASN A 37 8.155 -3.375 5.590 1.00 0.00 C ATOM 487 O ASN A 37 7.936 -4.484 6.078 1.00 0.00 O ATOM 488 CB ASN A 37 10.566 -3.639 6.202 1.00 0.00 C ATOM 489 CG ASN A 37 11.808 -2.811 6.472 1.00 0.00 C ATOM 490 OD1 ASN A 37 12.645 -2.623 5.590 1.00 0.00 O ATOM 491 ND2 ASN A 37 11.931 -2.312 7.697 1.00 0.00 N ATOM 0 H ASN A 37 9.793 -0.978 4.531 1.00 0.00 H new ATOM 0 HA ASN A 37 9.805 -3.190 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.073 -3.868 7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.857 -4.590 5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.745 -1.747 7.938 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.211 -2.494 8.396 1.00 0.00 H new ATOM 498 N HIS A 38 7.190 -2.507 5.306 1.00 0.00 N ATOM 499 CA HIS A 38 5.786 -2.814 5.556 1.00 0.00 C ATOM 500 C HIS A 38 4.963 -2.674 4.279 1.00 0.00 C ATOM 501 O HIS A 38 4.978 -1.627 3.631 1.00 0.00 O ATOM 502 CB HIS A 38 5.226 -1.894 6.641 1.00 0.00 C ATOM 503 CG HIS A 38 5.728 -2.214 8.016 1.00 0.00 C ATOM 504 ND1 HIS A 38 6.132 -1.249 8.914 1.00 0.00 N ATOM 505 CD2 HIS A 38 5.890 -3.402 8.645 1.00 0.00 C ATOM 506 CE1 HIS A 38 6.521 -1.828 10.035 1.00 0.00 C ATOM 507 NE2 HIS A 38 6.384 -3.135 9.898 1.00 0.00 N ATOM 0 H HIS A 38 7.354 -1.585 4.902 1.00 0.00 H new ATOM 0 HA HIS A 38 5.721 -3.847 5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.484 -0.863 6.400 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.138 -1.960 6.636 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.671 -4.378 8.237 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.889 -1.320 10.914 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.609 -3.832 10.608 1.00 0.00 H new ATOM 515 N LEU A 39 4.247 -3.735 3.923 1.00 0.00 N ATOM 516 CA LEU A 39 3.418 -3.730 2.723 1.00 0.00 C ATOM 517 C LEU A 39 1.969 -3.399 3.064 1.00 0.00 C ATOM 518 O LEU A 39 1.531 -3.575 4.201 1.00 0.00 O ATOM 519 CB LEU A 39 3.492 -5.088 2.023 1.00 0.00 C ATOM 520 CG LEU A 39 4.697 -5.306 1.107 1.00 0.00 C ATOM 521 CD1 LEU A 39 5.062 -6.781 1.047 1.00 0.00 C ATOM 522 CD2 LEU A 39 4.410 -4.769 -0.288 1.00 0.00 C ATOM 0 H LEU A 39 4.224 -4.609 4.448 1.00 0.00 H new ATOM 0 HA LEU A 39 3.799 -2.961 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.494 -5.867 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.584 -5.221 1.434 1.00 0.00 H new ATOM 0 HG LEU A 39 5.546 -4.759 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.922 -6.917 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.310 -7.135 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.216 -7.350 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.278 -4.932 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.548 -5.288 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.198 -3.701 -0.230 1.00 0.00 H new ATOM 534 N PHE A 40 1.227 -2.921 2.070 1.00 0.00 N ATOM 535 CA PHE A 40 -0.174 -2.567 2.264 1.00 0.00 C ATOM 536 C PHE A 40 -0.918 -2.542 0.932 1.00 0.00 C ATOM 537 O PHE A 40 -0.356 -2.173 -0.100 1.00 0.00 O ATOM 538 CB PHE A 40 -0.288 -1.203 2.949 1.00 0.00 C ATOM 539 CG PHE A 40 0.553 -1.084 4.188 1.00 0.00 C ATOM 540 CD1 PHE A 40 1.923 -0.894 4.096 1.00 0.00 C ATOM 541 CD2 PHE A 40 -0.025 -1.161 5.444 1.00 0.00 C ATOM 542 CE1 PHE A 40 2.699 -0.784 5.234 1.00 0.00 C ATOM 543 CE2 PHE A 40 0.746 -1.051 6.586 1.00 0.00 C ATOM 544 CZ PHE A 40 2.110 -0.862 6.481 1.00 0.00 C ATOM 0 H PHE A 40 1.573 -2.770 1.122 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.629 -3.325 2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.005 -0.425 2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.331 -1.021 3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.389 -0.831 3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.091 -1.309 5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.766 -0.637 5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.282 -1.113 7.559 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.715 -0.775 7.372 1.00 0.00 H new ATOM 554 N HIS A 41 -2.187 -2.938 0.962 1.00 0.00 N ATOM 555 CA HIS A 41 -3.009 -2.962 -0.242 1.00 0.00 C ATOM 556 C HIS A 41 -2.982 -1.609 -0.946 1.00 0.00 C ATOM 557 O HIS A 41 -3.100 -0.563 -0.307 1.00 0.00 O ATOM 558 CB HIS A 41 -4.449 -3.340 0.105 1.00 0.00 C ATOM 559 CG HIS A 41 -4.634 -4.799 0.388 1.00 0.00 C ATOM 560 ND1 HIS A 41 -5.356 -5.271 1.464 1.00 0.00 N ATOM 561 CD2 HIS A 41 -4.187 -5.893 -0.272 1.00 0.00 C ATOM 562 CE1 HIS A 41 -5.344 -6.592 1.454 1.00 0.00 C ATOM 563 NE2 HIS A 41 -4.641 -6.994 0.410 1.00 0.00 N ATOM 0 H HIS A 41 -2.668 -3.246 1.807 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.597 -3.712 -0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.767 -2.766 0.976 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.100 -3.053 -0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.585 -5.898 -1.169 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.827 -7.234 2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.464 -7.965 0.153 1.00 0.00 H new ATOM 571 N ASP A 42 -2.824 -1.636 -2.265 1.00 0.00 N ATOM 572 CA ASP A 42 -2.780 -0.411 -3.055 1.00 0.00 C ATOM 573 C ASP A 42 -4.089 0.363 -2.930 1.00 0.00 C ATOM 574 O ASP A 42 -4.203 1.491 -3.408 1.00 0.00 O ATOM 575 CB ASP A 42 -2.504 -0.736 -4.524 1.00 0.00 C ATOM 576 CG ASP A 42 -2.480 0.503 -5.397 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.819 1.489 -5.008 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.121 0.488 -6.468 1.00 0.00 O ATOM 0 H ASP A 42 -2.724 -2.493 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.972 0.212 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.548 -1.253 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.268 -1.421 -4.891 1.00 0.00 H new ATOM 583 N SER A 43 -5.075 -0.253 -2.285 1.00 0.00 N ATOM 584 CA SER A 43 -6.378 0.376 -2.101 1.00 0.00 C ATOM 585 C SER A 43 -6.618 0.708 -0.632 1.00 0.00 C ATOM 586 O SER A 43 -7.634 1.306 -0.276 1.00 0.00 O ATOM 587 CB SER A 43 -7.488 -0.541 -2.617 1.00 0.00 C ATOM 588 OG SER A 43 -8.761 -0.094 -2.184 1.00 0.00 O ATOM 0 H SER A 43 -4.996 -1.186 -1.881 1.00 0.00 H new ATOM 0 HA SER A 43 -6.390 1.305 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.461 -0.572 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.317 -1.558 -2.265 1.00 0.00 H new ATOM 0 HG SER A 43 -8.653 0.691 -1.607 1.00 0.00 H new ATOM 594 N CYS A 44 -5.676 0.315 0.219 1.00 0.00 N ATOM 595 CA CYS A 44 -5.784 0.568 1.651 1.00 0.00 C ATOM 596 C CYS A 44 -4.763 1.612 2.096 1.00 0.00 C ATOM 597 O CYS A 44 -5.020 2.394 3.012 1.00 0.00 O ATOM 598 CB CYS A 44 -5.579 -0.728 2.436 1.00 0.00 C ATOM 599 SG CYS A 44 -6.896 -1.963 2.189 1.00 0.00 S ATOM 0 H CYS A 44 -4.829 -0.180 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.784 0.952 1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.624 -1.168 2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.513 -0.491 3.498 1.00 0.00 H new ATOM 604 N ILE A 45 -3.607 1.618 1.442 1.00 0.00 N ATOM 605 CA ILE A 45 -2.549 2.566 1.769 1.00 0.00 C ATOM 606 C ILE A 45 -2.728 3.874 1.006 1.00 0.00 C ATOM 607 O ILE A 45 -2.628 4.958 1.580 1.00 0.00 O ATOM 608 CB ILE A 45 -1.157 1.987 1.455 1.00 0.00 C ATOM 609 CG1 ILE A 45 -0.112 2.564 2.412 1.00 0.00 C ATOM 610 CG2 ILE A 45 -0.777 2.275 0.010 1.00 0.00 C ATOM 611 CD1 ILE A 45 -0.450 2.357 3.872 1.00 0.00 C ATOM 0 H ILE A 45 -3.379 0.977 0.682 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.619 2.760 2.839 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.190 0.906 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.854 2.104 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.005 3.632 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.209 1.860 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.509 1.820 -0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.758 3.353 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.334 2.791 4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.400 2.841 4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.528 1.290 4.080 1.00 0.00 H new ATOM 623 N VAL A 46 -2.994 3.764 -0.291 1.00 0.00 N ATOM 624 CA VAL A 46 -3.189 4.938 -1.134 1.00 0.00 C ATOM 625 C VAL A 46 -4.032 5.990 -0.422 1.00 0.00 C ATOM 626 O VAL A 46 -3.615 7.133 -0.236 1.00 0.00 O ATOM 627 CB VAL A 46 -3.869 4.566 -2.465 1.00 0.00 C ATOM 628 CG1 VAL A 46 -4.772 5.695 -2.938 1.00 0.00 C ATOM 629 CG2 VAL A 46 -2.825 4.231 -3.520 1.00 0.00 C ATOM 0 H VAL A 46 -3.080 2.874 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.200 5.347 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.487 3.683 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.243 5.414 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.541 5.884 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.179 6.598 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.322 3.970 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.180 5.095 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.223 3.387 -3.182 1.00 0.00 H new ATOM 639 N PRO A 47 -5.248 5.598 -0.015 1.00 0.00 N ATOM 640 CA PRO A 47 -6.176 6.492 0.684 1.00 0.00 C ATOM 641 C PRO A 47 -5.704 6.830 2.094 1.00 0.00 C ATOM 642 O PRO A 47 -6.219 7.751 2.727 1.00 0.00 O ATOM 643 CB PRO A 47 -7.476 5.686 0.734 1.00 0.00 C ATOM 644 CG PRO A 47 -7.043 4.263 0.659 1.00 0.00 C ATOM 645 CD PRO A 47 -5.811 4.250 -0.203 1.00 0.00 C ATOM 0 HA PRO A 47 -6.274 7.453 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.029 5.884 1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.134 5.944 -0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.829 3.867 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.827 3.639 0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.111 3.475 0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.054 4.058 -1.248 1.00 0.00 H new ATOM 653 N TRP A 48 -4.723 6.079 2.580 1.00 0.00 N ATOM 654 CA TRP A 48 -4.181 6.300 3.916 1.00 0.00 C ATOM 655 C TRP A 48 -3.107 7.382 3.897 1.00 0.00 C ATOM 656 O TRP A 48 -3.229 8.403 4.574 1.00 0.00 O ATOM 657 CB TRP A 48 -3.602 4.999 4.476 1.00 0.00 C ATOM 658 CG TRP A 48 -2.881 5.181 5.777 1.00 0.00 C ATOM 659 CD1 TRP A 48 -1.538 5.355 5.953 1.00 0.00 C ATOM 660 CD2 TRP A 48 -3.465 5.206 7.084 1.00 0.00 C ATOM 661 NE1 TRP A 48 -1.252 5.486 7.290 1.00 0.00 N ATOM 662 CE2 TRP A 48 -2.417 5.399 8.005 1.00 0.00 C ATOM 663 CE3 TRP A 48 -4.771 5.086 7.566 1.00 0.00 C ATOM 664 CZ2 TRP A 48 -2.637 5.473 9.378 1.00 0.00 C ATOM 665 CZ3 TRP A 48 -4.988 5.160 8.929 1.00 0.00 C ATOM 666 CH2 TRP A 48 -3.926 5.352 9.822 1.00 0.00 C ATOM 0 H TRP A 48 -4.286 5.312 2.069 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.995 6.634 4.560 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.410 4.280 4.614 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.916 4.571 3.745 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.808 5.385 5.158 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -0.323 5.625 7.686 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.596 4.938 6.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.819 5.621 10.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.994 5.068 9.312 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.128 5.406 10.882 1.00 0.00 H new ATOM 677 N LEU A 49 -2.057 7.153 3.117 1.00 0.00 N ATOM 678 CA LEU A 49 -0.961 8.109 3.009 1.00 0.00 C ATOM 679 C LEU A 49 -1.478 9.487 2.607 1.00 0.00 C ATOM 680 O LEU A 49 -0.940 10.510 3.029 1.00 0.00 O ATOM 681 CB LEU A 49 0.070 7.621 1.989 1.00 0.00 C ATOM 682 CG LEU A 49 0.447 6.142 2.071 1.00 0.00 C ATOM 683 CD1 LEU A 49 1.459 5.788 0.993 1.00 0.00 C ATOM 684 CD2 LEU A 49 0.995 5.807 3.451 1.00 0.00 C ATOM 0 H LEU A 49 -1.941 6.313 2.550 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.485 8.190 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.314 7.822 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.977 8.214 2.107 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.452 5.548 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.715 4.731 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.030 5.989 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.358 6.390 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.258 4.750 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.882 6.410 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.238 6.021 4.205 1.00 0.00 H new ATOM 696 N GLU A 50 -2.527 9.504 1.790 1.00 0.00 N ATOM 697 CA GLU A 50 -3.117 10.757 1.333 1.00 0.00 C ATOM 698 C GLU A 50 -3.859 11.455 2.469 1.00 0.00 C ATOM 699 O GLU A 50 -4.436 12.526 2.280 1.00 0.00 O ATOM 700 CB GLU A 50 -4.073 10.500 0.166 1.00 0.00 C ATOM 701 CG GLU A 50 -3.368 10.155 -1.135 1.00 0.00 C ATOM 702 CD GLU A 50 -4.228 10.426 -2.354 1.00 0.00 C ATOM 703 OE1 GLU A 50 -5.131 11.284 -2.263 1.00 0.00 O ATOM 704 OE2 GLU A 50 -3.997 9.782 -3.398 1.00 0.00 O ATOM 0 H GLU A 50 -2.985 8.666 1.432 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.310 11.408 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.746 9.685 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.690 11.385 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.447 10.733 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.084 9.103 -1.122 1.00 0.00 H new ATOM 711 N GLN A 51 -3.839 10.840 3.647 1.00 0.00 N ATOM 712 CA GLN A 51 -4.511 11.402 4.812 1.00 0.00 C ATOM 713 C GLN A 51 -3.541 11.551 5.980 1.00 0.00 C ATOM 714 O GLN A 51 -3.615 12.515 6.743 1.00 0.00 O ATOM 715 CB GLN A 51 -5.690 10.519 5.223 1.00 0.00 C ATOM 716 CG GLN A 51 -6.986 10.863 4.508 1.00 0.00 C ATOM 717 CD GLN A 51 -8.213 10.562 5.346 1.00 0.00 C ATOM 718 OE1 GLN A 51 -8.420 9.428 5.779 1.00 0.00 O ATOM 719 NE2 GLN A 51 -9.035 11.578 5.579 1.00 0.00 N ATOM 0 H GLN A 51 -3.365 9.953 3.820 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.883 12.391 4.543 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.440 9.477 5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.843 10.609 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.981 11.921 4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.042 10.302 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.824 12.501 5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.877 11.435 6.137 1.00 0.00 H new ATOM 728 N HIS A 52 -2.632 10.591 6.114 1.00 0.00 N ATOM 729 CA HIS A 52 -1.647 10.616 7.190 1.00 0.00 C ATOM 730 C HIS A 52 -0.237 10.782 6.631 1.00 0.00 C ATOM 731 O HIS A 52 0.653 11.299 7.308 1.00 0.00 O ATOM 732 CB HIS A 52 -1.732 9.333 8.017 1.00 0.00 C ATOM 733 CG HIS A 52 -3.134 8.931 8.356 1.00 0.00 C ATOM 734 ND1 HIS A 52 -3.706 9.162 9.590 1.00 0.00 N ATOM 735 CD2 HIS A 52 -4.081 8.310 7.614 1.00 0.00 C ATOM 736 CE1 HIS A 52 -4.944 8.699 9.592 1.00 0.00 C ATOM 737 NE2 HIS A 52 -5.196 8.178 8.405 1.00 0.00 N ATOM 0 H HIS A 52 -2.557 9.786 5.492 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.868 11.469 7.832 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.254 8.523 7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.168 9.467 8.940 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.979 7.980 6.591 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.632 8.740 10.423 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.076 7.747 8.122 1.00 0.00 H new ATOM 745 N ASP A 53 -0.040 10.341 5.394 1.00 0.00 N ATOM 746 CA ASP A 53 1.261 10.442 4.744 1.00 0.00 C ATOM 747 C ASP A 53 2.319 9.665 5.522 1.00 0.00 C ATOM 748 O ASP A 53 3.486 10.054 5.561 1.00 0.00 O ATOM 749 CB ASP A 53 1.679 11.908 4.615 1.00 0.00 C ATOM 750 CG ASP A 53 0.511 12.816 4.285 1.00 0.00 C ATOM 751 OD1 ASP A 53 0.116 12.868 3.102 1.00 0.00 O ATOM 752 OD2 ASP A 53 -0.008 13.474 5.211 1.00 0.00 O ATOM 0 H ASP A 53 -0.765 9.910 4.821 1.00 0.00 H new ATOM 0 HA ASP A 53 1.176 10.008 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.138 12.235 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.438 11.999 3.838 1.00 0.00 H new ATOM 757 N SER A 54 1.901 8.565 6.141 1.00 0.00 N ATOM 758 CA SER A 54 2.811 7.736 6.923 1.00 0.00 C ATOM 759 C SER A 54 2.339 6.286 6.948 1.00 0.00 C ATOM 760 O SER A 54 1.365 5.926 6.285 1.00 0.00 O ATOM 761 CB SER A 54 2.924 8.272 8.351 1.00 0.00 C ATOM 762 OG SER A 54 3.046 9.684 8.358 1.00 0.00 O ATOM 0 H SER A 54 0.939 8.228 6.116 1.00 0.00 H new ATOM 0 HA SER A 54 3.793 7.772 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.045 7.977 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.789 7.827 8.842 1.00 0.00 H new ATOM 0 HG SER A 54 3.115 10.002 9.282 1.00 0.00 H new ATOM 768 N CYS A 55 3.035 5.456 7.717 1.00 0.00 N ATOM 769 CA CYS A 55 2.690 4.044 7.830 1.00 0.00 C ATOM 770 C CYS A 55 1.594 3.834 8.871 1.00 0.00 C ATOM 771 O CYS A 55 1.696 4.278 10.015 1.00 0.00 O ATOM 772 CB CYS A 55 3.926 3.223 8.202 1.00 0.00 C ATOM 773 SG CYS A 55 3.611 1.436 8.361 1.00 0.00 S ATOM 0 H CYS A 55 3.843 5.738 8.272 1.00 0.00 H new ATOM 0 HA CYS A 55 2.317 3.708 6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.694 3.380 7.445 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.326 3.596 9.145 1.00 0.00 H new ATOM 778 N PRO A 56 0.519 3.141 8.466 1.00 0.00 N ATOM 779 CA PRO A 56 -0.616 2.855 9.348 1.00 0.00 C ATOM 780 C PRO A 56 -0.262 1.855 10.444 1.00 0.00 C ATOM 781 O PRO A 56 -1.117 1.458 11.236 1.00 0.00 O ATOM 782 CB PRO A 56 -1.661 2.261 8.400 1.00 0.00 C ATOM 783 CG PRO A 56 -0.870 1.690 7.275 1.00 0.00 C ATOM 784 CD PRO A 56 0.330 2.582 7.117 1.00 0.00 C ATOM 0 HA PRO A 56 -0.956 3.746 9.876 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.255 1.493 8.896 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.356 3.024 8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.568 0.665 7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.459 1.663 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.206 2.023 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.155 3.364 6.379 1.00 0.00 H new ATOM 792 N VAL A 57 1.004 1.452 10.484 1.00 0.00 N ATOM 793 CA VAL A 57 1.472 0.500 11.484 1.00 0.00 C ATOM 794 C VAL A 57 2.517 1.131 12.397 1.00 0.00 C ATOM 795 O VAL A 57 2.265 1.362 13.581 1.00 0.00 O ATOM 796 CB VAL A 57 2.073 -0.756 10.825 1.00 0.00 C ATOM 797 CG1 VAL A 57 2.644 -1.691 11.880 1.00 0.00 C ATOM 798 CG2 VAL A 57 1.027 -1.467 9.981 1.00 0.00 C ATOM 0 H VAL A 57 1.724 1.770 9.835 1.00 0.00 H new ATOM 0 HA VAL A 57 0.604 0.211 12.076 1.00 0.00 H new ATOM 0 HB VAL A 57 2.887 -0.447 10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.064 -2.573 11.396 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.426 -1.176 12.438 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.851 -1.996 12.564 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.469 -2.352 9.523 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.191 -1.765 10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.670 -0.794 9.201 1.00 0.00 H new ATOM 808 N CYS A 58 3.691 1.409 11.841 1.00 0.00 N ATOM 809 CA CYS A 58 4.775 2.014 12.604 1.00 0.00 C ATOM 810 C CYS A 58 4.753 3.534 12.470 1.00 0.00 C ATOM 811 O CYS A 58 5.366 4.246 13.265 1.00 0.00 O ATOM 812 CB CYS A 58 6.125 1.470 12.132 1.00 0.00 C ATOM 813 SG CYS A 58 6.627 2.056 10.481 1.00 0.00 S ATOM 0 H CYS A 58 3.916 1.225 10.863 1.00 0.00 H new ATOM 0 HA CYS A 58 4.634 1.757 13.654 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.891 1.752 12.854 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.082 0.381 12.122 1.00 0.00 H new ATOM 818 N ARG A 59 4.041 4.023 11.460 1.00 0.00 N ATOM 819 CA ARG A 59 3.939 5.458 11.222 1.00 0.00 C ATOM 820 C ARG A 59 5.317 6.069 10.983 1.00 0.00 C ATOM 821 O ARG A 59 5.630 7.142 11.499 1.00 0.00 O ATOM 822 CB ARG A 59 3.262 6.147 12.408 1.00 0.00 C ATOM 823 CG ARG A 59 1.776 5.847 12.520 1.00 0.00 C ATOM 824 CD ARG A 59 1.529 4.494 13.170 1.00 0.00 C ATOM 825 NE ARG A 59 1.582 4.569 14.628 1.00 0.00 N ATOM 826 CZ ARG A 59 0.653 5.165 15.367 1.00 0.00 C ATOM 827 NH1 ARG A 59 -0.396 5.733 14.788 1.00 0.00 N ATOM 828 NH2 ARG A 59 0.772 5.192 16.688 1.00 0.00 N ATOM 0 H ARG A 59 3.526 3.447 10.794 1.00 0.00 H new ATOM 0 HA ARG A 59 3.333 5.610 10.329 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.757 5.837 13.328 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.401 7.224 12.319 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.289 6.627 13.105 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.324 5.863 11.528 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.554 4.116 12.862 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.274 3.781 12.816 1.00 0.00 H new ATOM 0 HE ARG A 59 2.376 4.140 15.104 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.491 5.713 13.773 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.108 6.190 15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.577 4.755 17.137 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.058 5.650 17.255 1.00 0.00 H new ATOM 842 N LYS A 60 6.137 5.378 10.199 1.00 0.00 N ATOM 843 CA LYS A 60 7.481 5.851 9.891 1.00 0.00 C ATOM 844 C LYS A 60 7.434 7.040 8.936 1.00 0.00 C ATOM 845 O LYS A 60 6.806 6.975 7.879 1.00 0.00 O ATOM 846 CB LYS A 60 8.313 4.723 9.276 1.00 0.00 C ATOM 847 CG LYS A 60 9.030 3.866 10.305 1.00 0.00 C ATOM 848 CD LYS A 60 10.445 4.358 10.552 1.00 0.00 C ATOM 849 CE LYS A 60 10.504 5.318 11.731 1.00 0.00 C ATOM 850 NZ LYS A 60 10.211 4.632 13.020 1.00 0.00 N ATOM 0 H LYS A 60 5.894 4.488 9.765 1.00 0.00 H new ATOM 0 HA LYS A 60 7.948 6.173 10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.661 4.087 8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.049 5.154 8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.472 3.877 11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.058 2.832 9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.099 3.507 10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.820 4.855 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.493 5.774 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.788 6.125 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.639 5.167 13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.182 4.579 13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.608 3.671 13.000 1.00 0.00 H new ATOM 864 N SER A 61 8.103 8.124 9.315 1.00 0.00 N ATOM 865 CA SER A 61 8.135 9.329 8.494 1.00 0.00 C ATOM 866 C SER A 61 8.602 9.008 7.077 1.00 0.00 C ATOM 867 O SER A 61 9.785 8.752 6.844 1.00 0.00 O ATOM 868 CB SER A 61 9.056 10.376 9.122 1.00 0.00 C ATOM 869 OG SER A 61 8.642 11.688 8.784 1.00 0.00 O ATOM 0 H SER A 61 8.630 8.193 10.185 1.00 0.00 H new ATOM 0 HA SER A 61 7.123 9.731 8.443 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.058 10.260 10.206 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.079 10.215 8.782 1.00 0.00 H new ATOM 0 HG SER A 61 9.246 12.339 9.199 1.00 0.00 H new ATOM 875 N LEU A 62 7.667 9.023 6.134 1.00 0.00 N ATOM 876 CA LEU A 62 7.981 8.734 4.739 1.00 0.00 C ATOM 877 C LEU A 62 8.551 9.966 4.043 1.00 0.00 C ATOM 878 O LEU A 62 8.220 10.251 2.892 1.00 0.00 O ATOM 879 CB LEU A 62 6.730 8.252 4.004 1.00 0.00 C ATOM 880 CG LEU A 62 5.900 7.184 4.718 1.00 0.00 C ATOM 881 CD1 LEU A 62 4.577 6.967 4.001 1.00 0.00 C ATOM 882 CD2 LEU A 62 6.678 5.880 4.814 1.00 0.00 C ATOM 0 H LEU A 62 6.684 9.232 6.310 1.00 0.00 H new ATOM 0 HA LEU A 62 8.734 7.946 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.090 9.114 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.032 7.859 3.033 1.00 0.00 H new ATOM 0 HG LEU A 62 5.688 7.532 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.001 6.204 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.014 7.900 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.767 6.641 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.072 5.132 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.922 5.527 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.598 6.046 5.374 1.00 0.00 H new ATOM 894 N THR A 63 9.413 10.692 4.748 1.00 0.00 N ATOM 895 CA THR A 63 10.030 11.892 4.199 1.00 0.00 C ATOM 896 C THR A 63 11.384 12.160 4.846 1.00 0.00 C ATOM 897 O THR A 63 11.570 11.924 6.039 1.00 0.00 O ATOM 898 CB THR A 63 9.129 13.127 4.391 1.00 0.00 C ATOM 899 OG1 THR A 63 9.767 14.288 3.848 1.00 0.00 O ATOM 900 CG2 THR A 63 8.826 13.350 5.865 1.00 0.00 C ATOM 0 H THR A 63 9.700 10.469 5.701 1.00 0.00 H new ATOM 0 HA THR A 63 10.168 11.715 3.132 1.00 0.00 H new ATOM 0 HB THR A 63 8.190 12.951 3.866 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.187 15.068 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.189 14.227 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.314 12.476 6.268 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.758 13.507 6.408 1.00 0.00 H new ATOM 908 N GLY A 64 12.328 12.655 4.050 1.00 0.00 N ATOM 909 CA GLY A 64 13.653 12.947 4.565 1.00 0.00 C ATOM 910 C GLY A 64 14.751 12.317 3.730 1.00 0.00 C ATOM 911 O GLY A 64 15.406 12.997 2.940 1.00 0.00 O ATOM 0 H GLY A 64 12.199 12.859 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.798 14.027 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.728 12.586 5.591 1.00 0.00 H new ATOM 915 N GLN A 65 14.953 11.015 3.906 1.00 0.00 N ATOM 916 CA GLN A 65 15.982 10.296 3.164 1.00 0.00 C ATOM 917 C GLN A 65 15.366 9.484 2.029 1.00 0.00 C ATOM 918 O GLN A 65 15.749 8.339 1.793 1.00 0.00 O ATOM 919 CB GLN A 65 16.765 9.374 4.100 1.00 0.00 C ATOM 920 CG GLN A 65 17.952 10.049 4.766 1.00 0.00 C ATOM 921 CD GLN A 65 19.193 10.039 3.896 1.00 0.00 C ATOM 922 OE1 GLN A 65 19.540 9.019 3.300 1.00 0.00 O ATOM 923 NE2 GLN A 65 19.871 11.178 3.818 1.00 0.00 N ATOM 0 H GLN A 65 14.419 10.437 4.555 1.00 0.00 H new ATOM 0 HA GLN A 65 16.664 11.029 2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 65 16.093 8.997 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 65 17.118 8.511 3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 65 17.691 11.079 5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 65 18.169 9.546 5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 65 19.548 12.000 4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 65 20.715 11.231 3.248 1.00 0.00 H new ATOM 932 N ASN A 66 14.409 10.085 1.330 1.00 0.00 N ATOM 933 CA ASN A 66 13.739 9.416 0.220 1.00 0.00 C ATOM 934 C ASN A 66 13.878 10.225 -1.066 1.00 0.00 C ATOM 935 O ASN A 66 14.085 11.439 -1.031 1.00 0.00 O ATOM 936 CB ASN A 66 12.259 9.203 0.544 1.00 0.00 C ATOM 937 CG ASN A 66 11.658 8.046 -0.231 1.00 0.00 C ATOM 938 OD1 ASN A 66 12.237 7.572 -1.208 1.00 0.00 O ATOM 939 ND2 ASN A 66 10.490 7.587 0.203 1.00 0.00 N ATOM 0 H ASN A 66 14.080 11.033 1.512 1.00 0.00 H new ATOM 0 HA ASN A 66 14.215 8.447 0.072 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.147 9.018 1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.706 10.114 0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.037 6.810 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.046 8.011 1.018 1.00 0.00 H new ATOM 946 N THR A 67 13.762 9.545 -2.202 1.00 0.00 N ATOM 947 CA THR A 67 13.875 10.199 -3.500 1.00 0.00 C ATOM 948 C THR A 67 12.558 10.136 -4.264 1.00 0.00 C ATOM 949 O THR A 67 12.053 11.155 -4.734 1.00 0.00 O ATOM 950 CB THR A 67 14.984 9.560 -4.357 1.00 0.00 C ATOM 951 OG1 THR A 67 14.745 8.155 -4.497 1.00 0.00 O ATOM 952 CG2 THR A 67 16.351 9.787 -3.730 1.00 0.00 C ATOM 0 H THR A 67 13.590 8.541 -2.250 1.00 0.00 H new ATOM 0 HA THR A 67 14.130 11.241 -3.307 1.00 0.00 H new ATOM 0 HB THR A 67 14.971 10.031 -5.340 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.453 7.756 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 67 17.118 9.327 -4.353 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.542 10.857 -3.651 1.00 0.00 H new ATOM 0 HG23 THR A 67 16.374 9.340 -2.736 1.00 0.00 H new ATOM 960 N ALA A 68 12.005 8.933 -4.384 1.00 0.00 N ATOM 961 CA ALA A 68 10.745 8.738 -5.089 1.00 0.00 C ATOM 962 C ALA A 68 9.574 8.677 -4.114 1.00 0.00 C ATOM 963 O ALA A 68 9.261 7.617 -3.569 1.00 0.00 O ATOM 964 CB ALA A 68 10.801 7.472 -5.930 1.00 0.00 C ATOM 0 H ALA A 68 12.411 8.079 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 68 10.590 9.592 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.853 7.339 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.607 7.555 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.983 6.614 -5.284 1.00 0.00 H new ATOM 970 N THR A 69 8.929 9.819 -3.897 1.00 0.00 N ATOM 971 CA THR A 69 7.794 9.895 -2.986 1.00 0.00 C ATOM 972 C THR A 69 6.494 10.133 -3.746 1.00 0.00 C ATOM 973 O THR A 69 6.235 11.239 -4.219 1.00 0.00 O ATOM 974 CB THR A 69 7.981 11.017 -1.948 1.00 0.00 C ATOM 975 OG1 THR A 69 8.102 12.281 -2.609 1.00 0.00 O ATOM 976 CG2 THR A 69 9.216 10.764 -1.095 1.00 0.00 C ATOM 0 H THR A 69 9.174 10.704 -4.340 1.00 0.00 H new ATOM 0 HA THR A 69 7.739 8.937 -2.469 1.00 0.00 H new ATOM 0 HB THR A 69 7.106 11.030 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.590 12.264 -3.444 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.328 11.569 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.108 9.815 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.098 10.726 -1.734 1.00 0.00 H new ATOM 984 N ASN A 70 5.680 9.089 -3.859 1.00 0.00 N ATOM 985 CA ASN A 70 4.406 9.185 -4.562 1.00 0.00 C ATOM 986 C ASN A 70 3.730 10.524 -4.281 1.00 0.00 C ATOM 987 O ASN A 70 3.502 10.904 -3.133 1.00 0.00 O ATOM 988 CB ASN A 70 3.483 8.038 -4.147 1.00 0.00 C ATOM 989 CG ASN A 70 2.406 7.760 -5.178 1.00 0.00 C ATOM 990 OD1 ASN A 70 2.686 7.249 -6.262 1.00 0.00 O ATOM 991 ND2 ASN A 70 1.166 8.097 -4.843 1.00 0.00 N ATOM 0 H ASN A 70 5.880 8.166 -3.473 1.00 0.00 H new ATOM 0 HA ASN A 70 4.603 9.115 -5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.076 7.136 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.015 8.279 -3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.399 7.934 -5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.980 8.518 -3.933 1.00 0.00 H new ATOM 998 N PRO A 71 3.401 11.257 -5.355 1.00 0.00 N ATOM 999 CA PRO A 71 2.745 12.564 -5.251 1.00 0.00 C ATOM 1000 C PRO A 71 1.304 12.452 -4.763 1.00 0.00 C ATOM 1001 O PRO A 71 0.519 11.639 -5.251 1.00 0.00 O ATOM 1002 CB PRO A 71 2.784 13.096 -6.686 1.00 0.00 C ATOM 1003 CG PRO A 71 2.854 11.877 -7.540 1.00 0.00 C ATOM 1004 CD PRO A 71 3.642 10.866 -6.754 1.00 0.00 C ATOM 0 HA PRO A 71 3.240 13.212 -4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.897 13.688 -6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.648 13.741 -6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.856 11.502 -7.768 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.338 12.095 -8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.301 9.850 -6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.702 10.901 -7.004 1.00 0.00 H new ATOM 1012 N PRO A 72 0.946 13.288 -3.777 1.00 0.00 N ATOM 1013 CA PRO A 72 -0.402 13.303 -3.203 1.00 0.00 C ATOM 1014 C PRO A 72 -1.441 13.850 -4.176 1.00 0.00 C ATOM 1015 O PRO A 72 -1.278 14.937 -4.727 1.00 0.00 O ATOM 1016 CB PRO A 72 -0.262 14.231 -1.994 1.00 0.00 C ATOM 1017 CG PRO A 72 0.886 15.119 -2.328 1.00 0.00 C ATOM 1018 CD PRO A 72 1.830 14.284 -3.148 1.00 0.00 C ATOM 0 HA PRO A 72 -0.749 12.301 -2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.173 14.807 -1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.073 13.666 -1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.553 15.994 -2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.373 15.484 -1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.354 14.884 -3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.591 13.811 -2.527 1.00 0.00 H new ATOM 1026 N GLY A 73 -2.511 13.087 -4.383 1.00 0.00 N ATOM 1027 CA GLY A 73 -3.560 13.513 -5.291 1.00 0.00 C ATOM 1028 C GLY A 73 -4.411 14.626 -4.712 1.00 0.00 C ATOM 1029 O GLY A 73 -4.403 15.750 -5.217 1.00 0.00 O ATOM 0 H GLY A 73 -2.670 12.183 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.112 13.851 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.196 12.661 -5.532 1.00 0.00 H new ATOM 1033 N LEU A 74 -5.147 14.315 -3.651 1.00 0.00 N ATOM 1034 CA LEU A 74 -6.009 15.298 -3.003 1.00 0.00 C ATOM 1035 C LEU A 74 -5.197 16.488 -2.502 1.00 0.00 C ATOM 1036 O LEU A 74 -4.402 16.364 -1.570 1.00 0.00 O ATOM 1037 CB LEU A 74 -6.764 14.655 -1.839 1.00 0.00 C ATOM 1038 CG LEU A 74 -8.037 13.891 -2.205 1.00 0.00 C ATOM 1039 CD1 LEU A 74 -8.491 13.022 -1.043 1.00 0.00 C ATOM 1040 CD2 LEU A 74 -9.140 14.856 -2.614 1.00 0.00 C ATOM 0 H LEU A 74 -5.164 13.390 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.728 15.656 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.088 13.970 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.026 15.437 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.817 13.242 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.398 12.486 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.707 12.305 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.693 13.651 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.038 14.294 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.358 15.531 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.815 15.435 -3.478 1.00 0.00 H new ATOM 1052 N THR A 75 -5.403 17.644 -3.126 1.00 0.00 N ATOM 1053 CA THR A 75 -4.692 18.857 -2.743 1.00 0.00 C ATOM 1054 C THR A 75 -4.869 19.153 -1.258 1.00 0.00 C ATOM 1055 O THR A 75 -3.900 19.410 -0.546 1.00 0.00 O ATOM 1056 CB THR A 75 -5.173 20.072 -3.558 1.00 0.00 C ATOM 1057 OG1 THR A 75 -4.964 19.838 -4.956 1.00 0.00 O ATOM 1058 CG2 THR A 75 -4.437 21.334 -3.135 1.00 0.00 C ATOM 0 H THR A 75 -6.057 17.765 -3.899 1.00 0.00 H new ATOM 0 HA THR A 75 -3.637 18.683 -2.953 1.00 0.00 H new ATOM 0 HB THR A 75 -6.237 20.210 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.274 20.614 -5.468 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.794 22.178 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.621 21.526 -2.078 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.367 21.204 -3.299 1.00 0.00 H new ATOM 1066 N GLY A 76 -6.116 19.116 -0.797 1.00 0.00 N ATOM 1067 CA GLY A 76 -6.398 19.382 0.602 1.00 0.00 C ATOM 1068 C GLY A 76 -6.488 18.113 1.426 1.00 0.00 C ATOM 1069 O GLY A 76 -7.511 17.844 2.055 1.00 0.00 O ATOM 0 H GLY A 76 -6.935 18.907 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.617 20.023 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.336 19.931 0.682 1.00 0.00 H new ATOM 1073 N VAL A 77 -5.414 17.329 1.423 1.00 0.00 N ATOM 1074 CA VAL A 77 -5.376 16.082 2.176 1.00 0.00 C ATOM 1075 C VAL A 77 -6.169 16.198 3.473 1.00 0.00 C ATOM 1076 O VAL A 77 -5.900 17.067 4.302 1.00 0.00 O ATOM 1077 CB VAL A 77 -3.929 15.670 2.508 1.00 0.00 C ATOM 1078 CG1 VAL A 77 -3.145 15.402 1.232 1.00 0.00 C ATOM 1079 CG2 VAL A 77 -3.249 16.741 3.346 1.00 0.00 C ATOM 0 H VAL A 77 -4.559 17.536 0.907 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.828 15.318 1.544 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.956 14.749 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.125 15.112 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.623 14.597 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.124 16.305 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.228 16.433 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.231 17.680 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.800 16.879 4.276 1.00 0.00 H new ATOM 1089 N GLY A 78 -7.148 15.315 3.643 1.00 0.00 N ATOM 1090 CA GLY A 78 -7.966 15.335 4.842 1.00 0.00 C ATOM 1091 C GLY A 78 -7.433 14.415 5.923 1.00 0.00 C ATOM 1092 O GLY A 78 -8.087 14.259 6.952 1.00 0.00 O ATOM 0 H GLY A 78 -7.390 14.586 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.015 16.353 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.984 15.041 4.588 1.00 0.00 H new TER 1096 GLY A 78 HETATM 1097 ZN ZN A 201 -6.135 -3.928 2.900 1.00 0.00 ZN HETATM 1098 ZN ZN A 401 5.826 0.640 8.760 1.00 0.00 ZN