USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 544 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 46 HIS HD1 : A 46 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HD1 : A 49 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 46:sc= 1.1 USER MOD Single : A 3 SER OG : rot 180:sc= -0.204 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 9:sc= 0.156 USER MOD Single : A 15 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Single : A 17 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.55) USER MOD Single : A 19 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-4.5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00703 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 40:sc= 1.01 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.752 F(o=-2.1!,f=-0.75) USER MOD Single : A 45 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.26) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= -0.147 (180deg=-1.35) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.496) USER MOD Single : A 60 ASN : amide:sc=-0.00196 X(o=-0.002,f=-0.002) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 69:sc= 0.532 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.047 -6.776 18.056 1.00 0.00 N ATOM 2 CA GLY A 1 -26.255 -5.597 17.759 1.00 0.00 C ATOM 3 C GLY A 1 -25.303 -5.815 16.599 1.00 0.00 C ATOM 4 O GLY A 1 -25.727 -6.158 15.496 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.681 -6.576 18.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.612 -7.034 17.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.416 -7.565 18.304 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.920 -4.765 17.528 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.686 -5.313 18.644 1.00 0.00 H new ATOM 8 N SER A 2 -24.013 -5.615 16.849 1.00 0.00 N ATOM 9 CA SER A 2 -22.999 -5.786 15.815 1.00 0.00 C ATOM 10 C SER A 2 -23.100 -7.169 15.179 1.00 0.00 C ATOM 11 O SER A 2 -22.542 -8.141 15.689 1.00 0.00 O ATOM 12 CB SER A 2 -21.601 -5.584 16.404 1.00 0.00 C ATOM 13 OG SER A 2 -21.314 -6.566 17.384 1.00 0.00 O ATOM 0 H SER A 2 -23.645 -5.335 17.758 1.00 0.00 H new ATOM 0 HA SER A 2 -23.172 -5.036 15.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.857 -5.631 15.608 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.530 -4.591 16.848 1.00 0.00 H new ATOM 0 HG SER A 2 -21.576 -7.449 17.049 1.00 0.00 H new ATOM 19 N SER A 3 -23.816 -7.249 14.062 1.00 0.00 N ATOM 20 CA SER A 3 -23.994 -8.512 13.357 1.00 0.00 C ATOM 21 C SER A 3 -22.724 -9.355 13.422 1.00 0.00 C ATOM 22 O SER A 3 -22.757 -10.518 13.823 1.00 0.00 O ATOM 23 CB SER A 3 -24.376 -8.257 11.898 1.00 0.00 C ATOM 24 OG SER A 3 -23.357 -7.540 11.222 1.00 0.00 O ATOM 0 H SER A 3 -24.282 -6.453 13.626 1.00 0.00 H new ATOM 0 HA SER A 3 -24.799 -9.061 13.845 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.552 -9.207 11.394 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.309 -7.696 11.856 1.00 0.00 H new ATOM 0 HG SER A 3 -23.624 -7.391 10.291 1.00 0.00 H new ATOM 30 N GLY A 4 -21.604 -8.758 13.024 1.00 0.00 N ATOM 31 CA GLY A 4 -20.338 -9.467 13.045 1.00 0.00 C ATOM 32 C GLY A 4 -19.165 -8.551 13.334 1.00 0.00 C ATOM 33 O GLY A 4 -18.397 -8.791 14.265 1.00 0.00 O ATOM 0 H GLY A 4 -21.551 -7.796 12.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.377 -10.252 13.801 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.184 -9.957 12.084 1.00 0.00 H new ATOM 37 N SER A 5 -19.026 -7.500 12.534 1.00 0.00 N ATOM 38 CA SER A 5 -17.935 -6.547 12.705 1.00 0.00 C ATOM 39 C SER A 5 -16.586 -7.260 12.698 1.00 0.00 C ATOM 40 O SER A 5 -15.724 -6.988 13.533 1.00 0.00 O ATOM 41 CB SER A 5 -18.108 -5.771 14.012 1.00 0.00 C ATOM 42 OG SER A 5 -19.022 -4.700 13.852 1.00 0.00 O ATOM 0 H SER A 5 -19.655 -7.286 11.760 1.00 0.00 H new ATOM 0 HA SER A 5 -17.961 -5.847 11.870 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.463 -6.443 14.793 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.143 -5.384 14.339 1.00 0.00 H new ATOM 0 HG SER A 5 -19.116 -4.221 14.702 1.00 0.00 H new ATOM 48 N SER A 6 -16.412 -8.175 11.749 1.00 0.00 N ATOM 49 CA SER A 6 -15.170 -8.930 11.634 1.00 0.00 C ATOM 50 C SER A 6 -15.031 -9.538 10.242 1.00 0.00 C ATOM 51 O SER A 6 -15.999 -10.035 9.669 1.00 0.00 O ATOM 52 CB SER A 6 -15.121 -10.034 12.692 1.00 0.00 C ATOM 53 OG SER A 6 -16.164 -10.974 12.498 1.00 0.00 O ATOM 0 H SER A 6 -17.115 -8.411 11.049 1.00 0.00 H new ATOM 0 HA SER A 6 -14.339 -8.243 11.796 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.157 -10.541 12.648 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.204 -9.594 13.686 1.00 0.00 H new ATOM 0 HG SER A 6 -16.109 -11.670 13.186 1.00 0.00 H new ATOM 59 N GLY A 7 -13.816 -9.493 9.703 1.00 0.00 N ATOM 60 CA GLY A 7 -13.570 -10.042 8.382 1.00 0.00 C ATOM 61 C GLY A 7 -12.484 -9.293 7.636 1.00 0.00 C ATOM 62 O GLY A 7 -11.624 -9.905 7.002 1.00 0.00 O ATOM 0 H GLY A 7 -12.998 -9.086 10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.286 -11.090 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.492 -10.012 7.802 1.00 0.00 H new ATOM 66 N GLN A 8 -12.523 -7.967 7.710 1.00 0.00 N ATOM 67 CA GLN A 8 -11.534 -7.135 7.035 1.00 0.00 C ATOM 68 C GLN A 8 -11.227 -5.883 7.850 1.00 0.00 C ATOM 69 O GLN A 8 -12.130 -5.247 8.394 1.00 0.00 O ATOM 70 CB GLN A 8 -12.033 -6.742 5.643 1.00 0.00 C ATOM 71 CG GLN A 8 -12.142 -7.914 4.682 1.00 0.00 C ATOM 72 CD GLN A 8 -12.087 -7.485 3.229 1.00 0.00 C ATOM 73 OE1 GLN A 8 -12.194 -6.299 2.916 1.00 0.00 O ATOM 74 NE2 GLN A 8 -11.919 -8.450 2.332 1.00 0.00 N ATOM 0 H GLN A 8 -13.229 -7.446 8.230 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.616 -7.715 6.935 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.010 -6.268 5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.357 -5.998 5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.333 -8.617 4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.077 -8.443 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.835 -9.420 2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.874 -8.221 1.339 1.00 0.00 H new ATOM 83 N LEU A 9 -9.947 -5.536 7.932 1.00 0.00 N ATOM 84 CA LEU A 9 -9.520 -4.360 8.682 1.00 0.00 C ATOM 85 C LEU A 9 -10.229 -3.106 8.178 1.00 0.00 C ATOM 86 O LEU A 9 -10.652 -3.023 7.025 1.00 0.00 O ATOM 87 CB LEU A 9 -8.005 -4.182 8.571 1.00 0.00 C ATOM 88 CG LEU A 9 -7.152 -5.255 9.248 1.00 0.00 C ATOM 89 CD1 LEU A 9 -5.806 -5.386 8.553 1.00 0.00 C ATOM 90 CD2 LEU A 9 -6.963 -4.933 10.724 1.00 0.00 C ATOM 0 H LEU A 9 -9.187 -6.052 7.488 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.786 -4.510 9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.740 -4.149 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.741 -3.214 8.997 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.673 -6.209 9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.213 -6.154 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.960 -5.664 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.278 -4.434 8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.354 -5.707 11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.465 -3.969 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.935 -4.892 11.215 1.00 0.00 H new ATOM 102 N PRO A 10 -10.361 -2.105 9.062 1.00 0.00 N ATOM 103 CA PRO A 10 -11.015 -0.837 8.729 1.00 0.00 C ATOM 104 C PRO A 10 -10.194 0.001 7.755 1.00 0.00 C ATOM 105 O PRO A 10 -8.966 0.032 7.830 1.00 0.00 O ATOM 106 CB PRO A 10 -11.125 -0.129 10.082 1.00 0.00 C ATOM 107 CG PRO A 10 -10.025 -0.708 10.903 1.00 0.00 C ATOM 108 CD PRO A 10 -9.881 -2.136 10.454 1.00 0.00 C ATOM 0 HA PRO A 10 -11.973 -0.991 8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.013 0.950 9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.097 -0.304 10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.096 -0.157 10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.262 -0.655 11.966 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.847 -2.474 10.515 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.474 -2.813 11.069 1.00 0.00 H new ATOM 116 N SER A 11 -10.880 0.680 6.841 1.00 0.00 N ATOM 117 CA SER A 11 -10.213 1.516 5.849 1.00 0.00 C ATOM 118 C SER A 11 -10.513 2.992 6.093 1.00 0.00 C ATOM 119 O SER A 11 -11.658 3.372 6.339 1.00 0.00 O ATOM 120 CB SER A 11 -10.655 1.121 4.439 1.00 0.00 C ATOM 121 OG SER A 11 -9.869 0.052 3.939 1.00 0.00 O ATOM 0 H SER A 11 -11.897 0.668 6.767 1.00 0.00 H new ATOM 0 HA SER A 11 -9.138 1.361 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.705 0.829 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.571 1.980 3.774 1.00 0.00 H new ATOM 0 HG SER A 11 -10.172 -0.183 3.037 1.00 0.00 H new ATOM 127 N TYR A 12 -9.476 3.818 6.024 1.00 0.00 N ATOM 128 CA TYR A 12 -9.625 5.253 6.240 1.00 0.00 C ATOM 129 C TYR A 12 -8.581 6.034 5.449 1.00 0.00 C ATOM 130 O TYR A 12 -7.481 5.543 5.197 1.00 0.00 O ATOM 131 CB TYR A 12 -9.505 5.581 7.729 1.00 0.00 C ATOM 132 CG TYR A 12 -8.084 5.832 8.181 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.245 4.777 8.518 1.00 0.00 C ATOM 134 CD2 TYR A 12 -7.581 7.124 8.270 1.00 0.00 C ATOM 135 CE1 TYR A 12 -5.947 5.001 8.932 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.283 7.358 8.682 1.00 0.00 C ATOM 137 CZ TYR A 12 -5.470 6.293 9.012 1.00 0.00 C ATOM 138 OH TYR A 12 -4.177 6.521 9.423 1.00 0.00 O ATOM 0 H TYR A 12 -8.522 3.519 5.820 1.00 0.00 H new ATOM 0 HA TYR A 12 -10.614 5.547 5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.108 6.462 7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.922 4.757 8.309 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.615 3.764 8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.215 7.960 8.013 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.309 4.169 9.192 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.907 8.368 8.745 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.698 5.668 9.484 1.00 0.00 H new ATOM 148 N ARG A 13 -8.934 7.256 5.061 1.00 0.00 N ATOM 149 CA ARG A 13 -8.028 8.107 4.299 1.00 0.00 C ATOM 150 C ARG A 13 -7.266 9.054 5.222 1.00 0.00 C ATOM 151 O ARG A 13 -7.864 9.762 6.032 1.00 0.00 O ATOM 152 CB ARG A 13 -8.807 8.911 3.256 1.00 0.00 C ATOM 153 CG ARG A 13 -9.373 8.061 2.130 1.00 0.00 C ATOM 154 CD ARG A 13 -9.908 8.922 0.997 1.00 0.00 C ATOM 155 NE ARG A 13 -11.037 9.746 1.422 1.00 0.00 N ATOM 156 CZ ARG A 13 -11.450 10.823 0.762 1.00 0.00 C ATOM 157 NH1 ARG A 13 -10.831 11.203 -0.346 1.00 0.00 N ATOM 158 NH2 ARG A 13 -12.485 11.521 1.212 1.00 0.00 N ATOM 0 H ARG A 13 -9.841 7.678 5.262 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.308 7.466 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.625 9.435 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.151 9.671 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.597 7.397 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.172 7.429 2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.111 9.564 0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.217 8.282 0.170 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.535 9.480 2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.035 10.668 -0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.150 12.030 -0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.964 11.231 2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.802 12.348 0.705 1.00 0.00 H new ATOM 172 N PHE A 14 -5.944 9.060 5.093 1.00 0.00 N ATOM 173 CA PHE A 14 -5.099 9.918 5.916 1.00 0.00 C ATOM 174 C PHE A 14 -5.640 11.344 5.947 1.00 0.00 C ATOM 175 O PHE A 14 -6.097 11.868 4.932 1.00 0.00 O ATOM 176 CB PHE A 14 -3.664 9.916 5.385 1.00 0.00 C ATOM 177 CG PHE A 14 -2.732 10.788 6.177 1.00 0.00 C ATOM 178 CD1 PHE A 14 -2.735 12.163 6.006 1.00 0.00 C ATOM 179 CD2 PHE A 14 -1.852 10.233 7.092 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.879 12.968 6.733 1.00 0.00 C ATOM 181 CE2 PHE A 14 -0.993 11.033 7.822 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.006 12.402 7.642 1.00 0.00 C ATOM 0 H PHE A 14 -5.434 8.480 4.426 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.103 9.524 6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.285 8.894 5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.668 10.250 4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.414 12.611 5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.837 9.163 7.237 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.892 14.039 6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.312 10.588 8.532 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.335 13.029 8.211 1.00 0.00 H new ATOM 192 N ASN A 15 -5.585 11.966 7.121 1.00 0.00 N ATOM 193 CA ASN A 15 -6.071 13.331 7.286 1.00 0.00 C ATOM 194 C ASN A 15 -5.093 14.160 8.113 1.00 0.00 C ATOM 195 O ASN A 15 -4.897 13.926 9.306 1.00 0.00 O ATOM 196 CB ASN A 15 -7.447 13.328 7.955 1.00 0.00 C ATOM 197 CG ASN A 15 -8.469 12.527 7.171 1.00 0.00 C ATOM 198 OD1 ASN A 15 -8.848 11.425 7.569 1.00 0.00 O ATOM 199 ND2 ASN A 15 -8.920 13.078 6.051 1.00 0.00 N ATOM 0 H ASN A 15 -5.209 11.546 7.971 1.00 0.00 H new ATOM 0 HA ASN A 15 -6.157 13.782 6.297 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.359 12.915 8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.798 14.354 8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.609 12.586 5.482 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.578 13.994 5.759 1.00 0.00 H new ATOM 206 N PRO A 16 -4.464 15.152 7.466 1.00 0.00 N ATOM 207 CA PRO A 16 -3.497 16.037 8.122 1.00 0.00 C ATOM 208 C PRO A 16 -4.158 16.977 9.124 1.00 0.00 C ATOM 209 O PRO A 16 -3.491 17.800 9.750 1.00 0.00 O ATOM 210 CB PRO A 16 -2.896 16.831 6.960 1.00 0.00 C ATOM 211 CG PRO A 16 -3.947 16.810 5.904 1.00 0.00 C ATOM 212 CD PRO A 16 -4.649 15.488 6.044 1.00 0.00 C ATOM 0 HA PRO A 16 -2.761 15.478 8.700 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.656 17.851 7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.970 16.377 6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.645 17.638 6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.506 16.915 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.705 15.564 5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.213 14.731 5.392 1.00 0.00 H new ATOM 220 N ASN A 17 -5.472 16.848 9.272 1.00 0.00 N ATOM 221 CA ASN A 17 -6.224 17.687 10.198 1.00 0.00 C ATOM 222 C ASN A 17 -6.035 17.213 11.636 1.00 0.00 C ATOM 223 O ASN A 17 -5.805 18.016 12.540 1.00 0.00 O ATOM 224 CB ASN A 17 -7.710 17.677 9.837 1.00 0.00 C ATOM 225 CG ASN A 17 -7.997 18.421 8.547 1.00 0.00 C ATOM 226 OD1 ASN A 17 -8.595 19.497 8.558 1.00 0.00 O ATOM 227 ND2 ASN A 17 -7.570 17.849 7.427 1.00 0.00 N ATOM 0 H ASN A 17 -6.039 16.170 8.762 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.845 18.706 10.116 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.051 16.646 9.742 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.281 18.128 10.648 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.734 18.303 6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.078 16.956 7.466 1.00 0.00 H new ATOM 234 N ASN A 18 -6.133 15.903 11.840 1.00 0.00 N ATOM 235 CA ASN A 18 -5.974 15.322 13.168 1.00 0.00 C ATOM 236 C ASN A 18 -5.919 13.799 13.092 1.00 0.00 C ATOM 237 O ASN A 18 -6.718 13.173 12.395 1.00 0.00 O ATOM 238 CB ASN A 18 -7.123 15.758 14.080 1.00 0.00 C ATOM 239 CG ASN A 18 -7.040 15.126 15.456 1.00 0.00 C ATOM 240 OD1 ASN A 18 -7.405 13.965 15.642 1.00 0.00 O ATOM 241 ND2 ASN A 18 -6.558 15.891 16.429 1.00 0.00 N ATOM 0 H ASN A 18 -6.322 15.224 11.103 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.033 15.682 13.584 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.112 16.843 14.180 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.073 15.490 13.617 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.478 15.521 17.376 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.267 16.848 16.229 1.00 0.00 H new ATOM 248 N HIS A 19 -4.971 13.210 13.815 1.00 0.00 N ATOM 249 CA HIS A 19 -4.813 11.760 13.830 1.00 0.00 C ATOM 250 C HIS A 19 -4.488 11.265 15.236 1.00 0.00 C ATOM 251 O HIS A 19 -3.646 11.838 15.927 1.00 0.00 O ATOM 252 CB HIS A 19 -3.710 11.336 12.860 1.00 0.00 C ATOM 253 CG HIS A 19 -2.551 12.282 12.820 1.00 0.00 C ATOM 254 ND1 HIS A 19 -2.697 13.647 12.690 1.00 0.00 N ATOM 255 CD2 HIS A 19 -1.219 12.054 12.895 1.00 0.00 C ATOM 256 CE1 HIS A 19 -1.506 14.218 12.685 1.00 0.00 C ATOM 257 NE2 HIS A 19 -0.591 13.273 12.809 1.00 0.00 N ATOM 0 H HIS A 19 -4.302 13.714 14.397 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.755 11.313 13.514 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.351 10.346 13.142 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.132 11.249 11.859 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.739 11.093 13.002 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.313 15.277 12.595 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.417 13.424 12.836 1.00 0.00 H new ATOM 266 N GLN A 20 -5.162 10.198 15.653 1.00 0.00 N ATOM 267 CA GLN A 20 -4.945 9.627 16.977 1.00 0.00 C ATOM 268 C GLN A 20 -3.457 9.575 17.311 1.00 0.00 C ATOM 269 O GLN A 20 -2.987 10.278 18.205 1.00 0.00 O ATOM 270 CB GLN A 20 -5.546 8.222 17.055 1.00 0.00 C ATOM 271 CG GLN A 20 -5.725 7.715 18.477 1.00 0.00 C ATOM 272 CD GLN A 20 -6.333 6.328 18.530 1.00 0.00 C ATOM 273 OE1 GLN A 20 -5.620 5.324 18.523 1.00 0.00 O ATOM 274 NE2 GLN A 20 -7.658 6.263 18.582 1.00 0.00 N ATOM 0 H GLN A 20 -5.863 9.712 15.093 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.441 10.268 17.706 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.514 8.221 16.553 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.904 7.530 16.510 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.757 7.703 18.979 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.361 8.408 19.028 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.211 7.120 18.586 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.123 5.356 18.618 1.00 0.00 H new ATOM 283 N SER A 21 -2.722 8.738 16.586 1.00 0.00 N ATOM 284 CA SER A 21 -1.288 8.592 16.808 1.00 0.00 C ATOM 285 C SER A 21 -0.496 9.459 15.835 1.00 0.00 C ATOM 286 O SER A 21 -0.794 9.501 14.641 1.00 0.00 O ATOM 287 CB SER A 21 -0.874 7.127 16.656 1.00 0.00 C ATOM 288 OG SER A 21 -1.415 6.564 15.473 1.00 0.00 O ATOM 0 H SER A 21 -3.095 8.151 15.840 1.00 0.00 H new ATOM 0 HA SER A 21 -1.067 8.922 17.823 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.213 7.054 16.633 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.214 6.558 17.522 1.00 0.00 H new ATOM 0 HG SER A 21 -1.134 5.628 15.398 1.00 0.00 H new ATOM 294 N GLU A 22 0.513 10.151 16.355 1.00 0.00 N ATOM 295 CA GLU A 22 1.347 11.019 15.532 1.00 0.00 C ATOM 296 C GLU A 22 2.545 10.254 14.976 1.00 0.00 C ATOM 297 O GLU A 22 3.443 10.842 14.374 1.00 0.00 O ATOM 298 CB GLU A 22 1.829 12.221 16.346 1.00 0.00 C ATOM 299 CG GLU A 22 2.924 11.882 17.343 1.00 0.00 C ATOM 300 CD GLU A 22 2.938 12.818 18.536 1.00 0.00 C ATOM 301 OE1 GLU A 22 1.927 12.862 19.268 1.00 0.00 O ATOM 302 OE2 GLU A 22 3.960 13.506 18.738 1.00 0.00 O ATOM 0 H GLU A 22 0.772 10.127 17.341 1.00 0.00 H new ATOM 0 HA GLU A 22 0.744 11.374 14.696 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.196 12.988 15.663 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.982 12.650 16.881 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.789 10.858 17.691 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.891 11.923 16.842 1.00 0.00 H new ATOM 309 N GLN A 23 2.549 8.941 15.183 1.00 0.00 N ATOM 310 CA GLN A 23 3.637 8.097 14.703 1.00 0.00 C ATOM 311 C GLN A 23 3.238 7.371 13.422 1.00 0.00 C ATOM 312 O GLN A 23 3.506 6.180 13.261 1.00 0.00 O ATOM 313 CB GLN A 23 4.033 7.081 15.776 1.00 0.00 C ATOM 314 CG GLN A 23 2.888 6.182 16.215 1.00 0.00 C ATOM 315 CD GLN A 23 3.350 4.784 16.576 1.00 0.00 C ATOM 316 OE1 GLN A 23 3.697 4.509 17.725 1.00 0.00 O ATOM 317 NE2 GLN A 23 3.358 3.890 15.593 1.00 0.00 N ATOM 0 H GLN A 23 1.812 8.439 15.679 1.00 0.00 H new ATOM 0 HA GLN A 23 4.492 8.738 14.485 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.845 6.461 15.396 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.419 7.614 16.645 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.389 6.629 17.075 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.151 6.122 15.414 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.062 4.161 14.655 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.660 2.933 15.776 1.00 0.00 H new ATOM 326 N THR A 24 2.596 8.097 12.512 1.00 0.00 N ATOM 327 CA THR A 24 2.159 7.523 11.246 1.00 0.00 C ATOM 328 C THR A 24 3.318 7.417 10.261 1.00 0.00 C ATOM 329 O THR A 24 3.698 8.401 9.626 1.00 0.00 O ATOM 330 CB THR A 24 1.033 8.359 10.608 1.00 0.00 C ATOM 331 OG1 THR A 24 1.498 9.688 10.348 1.00 0.00 O ATOM 332 CG2 THR A 24 -0.184 8.411 11.519 1.00 0.00 C ATOM 0 H THR A 24 2.367 9.084 12.629 1.00 0.00 H new ATOM 0 HA THR A 24 1.780 6.525 11.466 1.00 0.00 H new ATOM 0 HB THR A 24 0.745 7.885 9.670 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.419 9.653 10.014 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.966 9.007 11.048 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.552 7.400 11.692 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.093 8.864 12.471 1.00 0.00 H new ATOM 340 N LEU A 25 3.875 6.218 10.138 1.00 0.00 N ATOM 341 CA LEU A 25 4.992 5.983 9.229 1.00 0.00 C ATOM 342 C LEU A 25 4.890 4.603 8.587 1.00 0.00 C ATOM 343 O LEU A 25 4.370 3.663 9.189 1.00 0.00 O ATOM 344 CB LEU A 25 6.320 6.114 9.976 1.00 0.00 C ATOM 345 CG LEU A 25 7.584 6.009 9.122 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.729 6.775 9.767 1.00 0.00 C ATOM 347 CD2 LEU A 25 7.966 4.552 8.911 1.00 0.00 C ATOM 0 H LEU A 25 3.572 5.393 10.656 1.00 0.00 H new ATOM 0 HA LEU A 25 4.951 6.734 8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.332 7.075 10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.359 5.342 10.744 1.00 0.00 H new ATOM 0 HG LEU A 25 7.379 6.454 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.620 6.689 9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.455 7.825 9.865 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.934 6.360 10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.868 4.497 8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.152 4.081 9.876 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.153 4.032 8.404 1.00 0.00 H new ATOM 359 N CYS A 26 5.393 4.487 7.362 1.00 0.00 N ATOM 360 CA CYS A 26 5.361 3.222 6.639 1.00 0.00 C ATOM 361 C CYS A 26 6.727 2.542 6.671 1.00 0.00 C ATOM 362 O CYS A 26 7.630 2.904 5.916 1.00 0.00 O ATOM 363 CB CYS A 26 4.926 3.450 5.190 1.00 0.00 C ATOM 364 SG CYS A 26 4.803 1.925 4.201 1.00 0.00 S ATOM 0 H CYS A 26 5.828 5.254 6.850 1.00 0.00 H new ATOM 0 HA CYS A 26 4.639 2.570 7.130 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.958 3.951 5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.636 4.125 4.711 1.00 0.00 H new ATOM 369 N VAL A 27 6.870 1.555 7.549 1.00 0.00 N ATOM 370 CA VAL A 27 8.124 0.823 7.679 1.00 0.00 C ATOM 371 C VAL A 27 8.517 0.166 6.361 1.00 0.00 C ATOM 372 O VAL A 27 9.698 0.073 6.028 1.00 0.00 O ATOM 373 CB VAL A 27 8.033 -0.259 8.772 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.563 -1.578 8.179 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.374 -0.426 9.469 1.00 0.00 C ATOM 0 H VAL A 27 6.133 1.244 8.181 1.00 0.00 H new ATOM 0 HA VAL A 27 8.886 1.550 7.961 1.00 0.00 H new ATOM 0 HB VAL A 27 7.301 0.059 9.514 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.505 -2.330 8.966 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.579 -1.445 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.268 -1.905 7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.291 -1.194 10.238 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.129 -0.722 8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.665 0.518 9.929 1.00 0.00 H new ATOM 385 N VAL A 28 7.517 -0.288 5.612 1.00 0.00 N ATOM 386 CA VAL A 28 7.757 -0.936 4.327 1.00 0.00 C ATOM 387 C VAL A 28 8.640 -0.072 3.433 1.00 0.00 C ATOM 388 O VAL A 28 9.744 -0.471 3.062 1.00 0.00 O ATOM 389 CB VAL A 28 6.436 -1.232 3.593 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.699 -2.011 2.313 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.481 -1.991 4.502 1.00 0.00 C ATOM 0 H VAL A 28 6.533 -0.219 5.872 1.00 0.00 H new ATOM 0 HA VAL A 28 8.266 -1.877 4.536 1.00 0.00 H new ATOM 0 HB VAL A 28 5.970 -0.284 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.754 -2.211 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.344 -1.426 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.188 -2.955 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.553 -2.192 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.938 -2.934 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.268 -1.392 5.387 1.00 0.00 H new ATOM 401 N CYS A 29 8.146 1.113 3.090 1.00 0.00 N ATOM 402 CA CYS A 29 8.889 2.034 2.239 1.00 0.00 C ATOM 403 C CYS A 29 9.398 3.227 3.043 1.00 0.00 C ATOM 404 O CYS A 29 9.680 4.288 2.488 1.00 0.00 O ATOM 405 CB CYS A 29 8.008 2.520 1.087 1.00 0.00 C ATOM 406 SG CYS A 29 6.678 3.655 1.595 1.00 0.00 S ATOM 0 H CYS A 29 7.234 1.458 3.389 1.00 0.00 H new ATOM 0 HA CYS A 29 9.747 1.500 1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.636 3.020 0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.564 1.655 0.594 1.00 0.00 H new ATOM 411 N MET A 30 9.512 3.044 4.355 1.00 0.00 N ATOM 412 CA MET A 30 9.988 4.105 5.235 1.00 0.00 C ATOM 413 C MET A 30 9.541 5.473 4.729 1.00 0.00 C ATOM 414 O MET A 30 10.356 6.382 4.569 1.00 0.00 O ATOM 415 CB MET A 30 11.514 4.062 5.343 1.00 0.00 C ATOM 416 CG MET A 30 12.054 2.707 5.772 1.00 0.00 C ATOM 417 SD MET A 30 13.594 2.836 6.702 1.00 0.00 S ATOM 418 CE MET A 30 12.968 3.127 8.354 1.00 0.00 C ATOM 0 H MET A 30 9.281 2.172 4.831 1.00 0.00 H new ATOM 0 HA MET A 30 9.556 3.944 6.223 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.946 4.327 4.378 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.841 4.817 6.058 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.307 2.199 6.382 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.218 2.089 4.889 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.803 3.229 9.047 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.376 4.042 8.363 1.00 0.00 H new ATOM 0 HE3 MET A 30 12.343 2.288 8.660 1.00 0.00 H new ATOM 428 N CYS A 31 8.244 5.611 4.479 1.00 0.00 N ATOM 429 CA CYS A 31 7.689 6.869 3.990 1.00 0.00 C ATOM 430 C CYS A 31 6.342 7.159 4.643 1.00 0.00 C ATOM 431 O CYS A 31 5.483 6.282 4.732 1.00 0.00 O ATOM 432 CB CYS A 31 7.534 6.824 2.469 1.00 0.00 C ATOM 433 SG CYS A 31 7.218 8.435 1.712 1.00 0.00 S ATOM 0 H CYS A 31 7.557 4.868 4.607 1.00 0.00 H new ATOM 0 HA CYS A 31 8.379 7.670 4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.440 6.402 2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.716 6.149 2.218 1.00 0.00 H new ATOM 0 HG CYS A 31 7.104 8.295 0.425 1.00 0.00 H new ATOM 439 N ASP A 32 6.165 8.394 5.098 1.00 0.00 N ATOM 440 CA ASP A 32 4.922 8.800 5.743 1.00 0.00 C ATOM 441 C ASP A 32 3.760 8.769 4.754 1.00 0.00 C ATOM 442 O ASP A 32 3.932 9.058 3.570 1.00 0.00 O ATOM 443 CB ASP A 32 5.065 10.203 6.336 1.00 0.00 C ATOM 444 CG ASP A 32 6.330 10.358 7.156 1.00 0.00 C ATOM 445 OD1 ASP A 32 6.788 9.353 7.739 1.00 0.00 O ATOM 446 OD2 ASP A 32 6.864 11.486 7.215 1.00 0.00 O ATOM 0 H ASP A 32 6.866 9.132 5.032 1.00 0.00 H new ATOM 0 HA ASP A 32 4.711 8.094 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.066 10.937 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.200 10.419 6.963 1.00 0.00 H new ATOM 451 N PHE A 33 2.579 8.415 5.248 1.00 0.00 N ATOM 452 CA PHE A 33 1.389 8.344 4.408 1.00 0.00 C ATOM 453 C PHE A 33 0.835 9.738 4.129 1.00 0.00 C ATOM 454 O PHE A 33 0.635 10.532 5.048 1.00 0.00 O ATOM 455 CB PHE A 33 0.317 7.481 5.077 1.00 0.00 C ATOM 456 CG PHE A 33 0.879 6.365 5.910 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.286 5.179 5.319 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.001 6.501 7.283 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.804 4.150 6.082 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.519 5.475 8.052 1.00 0.00 C ATOM 461 CZ PHE A 33 1.920 4.298 7.451 1.00 0.00 C ATOM 0 H PHE A 33 2.420 8.173 6.226 1.00 0.00 H new ATOM 0 HA PHE A 33 1.672 7.889 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.307 8.115 5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.330 7.059 4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.197 5.058 4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.688 7.419 7.758 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.118 3.231 5.609 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.610 5.594 9.122 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.323 3.495 8.050 1.00 0.00 H new ATOM 471 N GLU A 34 0.591 10.027 2.855 1.00 0.00 N ATOM 472 CA GLU A 34 0.062 11.326 2.455 1.00 0.00 C ATOM 473 C GLU A 34 -1.459 11.356 2.579 1.00 0.00 C ATOM 474 O GLU A 34 -2.092 10.329 2.824 1.00 0.00 O ATOM 475 CB GLU A 34 0.474 11.649 1.017 1.00 0.00 C ATOM 476 CG GLU A 34 1.904 12.145 0.891 1.00 0.00 C ATOM 477 CD GLU A 34 2.167 12.836 -0.433 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.779 12.277 -1.481 1.00 0.00 O ATOM 479 OE2 GLU A 34 2.760 13.935 -0.422 1.00 0.00 O ATOM 0 H GLU A 34 0.751 9.380 2.083 1.00 0.00 H new ATOM 0 HA GLU A 34 0.479 12.080 3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.353 10.756 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.201 12.405 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.118 12.836 1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.588 11.303 0.999 1.00 0.00 H new ATOM 486 N SER A 35 -2.037 12.540 2.409 1.00 0.00 N ATOM 487 CA SER A 35 -3.483 12.705 2.506 1.00 0.00 C ATOM 488 C SER A 35 -4.180 12.122 1.281 1.00 0.00 C ATOM 489 O SER A 35 -3.560 11.927 0.235 1.00 0.00 O ATOM 490 CB SER A 35 -3.839 14.186 2.653 1.00 0.00 C ATOM 491 OG SER A 35 -3.467 14.917 1.497 1.00 0.00 O ATOM 0 H SER A 35 -1.527 13.399 2.203 1.00 0.00 H new ATOM 0 HA SER A 35 -3.827 12.166 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.910 14.290 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.335 14.600 3.526 1.00 0.00 H new ATOM 0 HG SER A 35 -3.707 15.860 1.615 1.00 0.00 H new ATOM 497 N ARG A 36 -5.473 11.846 1.418 1.00 0.00 N ATOM 498 CA ARG A 36 -6.255 11.283 0.324 1.00 0.00 C ATOM 499 C ARG A 36 -5.660 9.959 -0.145 1.00 0.00 C ATOM 500 O ARG A 36 -5.516 9.723 -1.344 1.00 0.00 O ATOM 501 CB ARG A 36 -6.318 12.269 -0.845 1.00 0.00 C ATOM 502 CG ARG A 36 -7.225 13.461 -0.587 1.00 0.00 C ATOM 503 CD ARG A 36 -6.573 14.464 0.352 1.00 0.00 C ATOM 504 NE ARG A 36 -7.478 15.555 0.701 1.00 0.00 N ATOM 505 CZ ARG A 36 -7.698 16.607 -0.080 1.00 0.00 C ATOM 506 NH1 ARG A 36 -7.081 16.709 -1.249 1.00 0.00 N ATOM 507 NH2 ARG A 36 -8.537 17.559 0.307 1.00 0.00 N ATOM 0 H ARG A 36 -6.001 12.003 2.276 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.265 11.098 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.312 12.629 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.666 11.744 -1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.465 13.948 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.166 13.117 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.252 13.954 1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.678 14.872 -0.118 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.969 15.507 1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.436 15.979 -1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.252 17.518 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.014 17.484 1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.705 18.366 -0.294 1.00 0.00 H new ATOM 521 N GLN A 37 -5.315 9.100 0.809 1.00 0.00 N ATOM 522 CA GLN A 37 -4.734 7.801 0.493 1.00 0.00 C ATOM 523 C GLN A 37 -5.195 6.742 1.489 1.00 0.00 C ATOM 524 O GLN A 37 -5.172 6.963 2.701 1.00 0.00 O ATOM 525 CB GLN A 37 -3.207 7.887 0.492 1.00 0.00 C ATOM 526 CG GLN A 37 -2.657 8.929 -0.469 1.00 0.00 C ATOM 527 CD GLN A 37 -1.227 8.643 -0.883 1.00 0.00 C ATOM 528 OE1 GLN A 37 -0.325 8.603 0.091 1.00 0.00 O flip ATOM 529 NE2 GLN A 37 -0.936 8.460 -2.066 1.00 0.00 N flip ATOM 0 H GLN A 37 -5.428 9.280 1.807 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.074 7.512 -0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.864 8.118 1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.797 6.912 0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.288 8.968 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.706 9.912 -0.000 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.662 8.500 -2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.031 8.269 -2.330 1.00 0.00 H new ATOM 538 N LEU A 38 -5.612 5.592 0.972 1.00 0.00 N ATOM 539 CA LEU A 38 -6.079 4.497 1.816 1.00 0.00 C ATOM 540 C LEU A 38 -4.914 3.843 2.552 1.00 0.00 C ATOM 541 O LEU A 38 -3.917 3.459 1.941 1.00 0.00 O ATOM 542 CB LEU A 38 -6.815 3.455 0.973 1.00 0.00 C ATOM 543 CG LEU A 38 -7.629 2.418 1.748 1.00 0.00 C ATOM 544 CD1 LEU A 38 -8.784 3.084 2.479 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.142 1.334 0.811 1.00 0.00 C ATOM 0 H LEU A 38 -5.636 5.393 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.767 4.908 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.485 3.977 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.082 2.929 0.361 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.978 1.952 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.352 2.331 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.394 3.822 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.435 3.577 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.719 0.605 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.777 1.784 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.298 0.836 0.334 1.00 0.00 H new ATOM 557 N LEU A 39 -5.049 3.716 3.868 1.00 0.00 N ATOM 558 CA LEU A 39 -4.009 3.105 4.688 1.00 0.00 C ATOM 559 C LEU A 39 -4.555 1.904 5.454 1.00 0.00 C ATOM 560 O LEU A 39 -5.703 1.908 5.898 1.00 0.00 O ATOM 561 CB LEU A 39 -3.435 4.131 5.667 1.00 0.00 C ATOM 562 CG LEU A 39 -3.116 5.509 5.085 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.603 6.441 6.171 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.100 5.389 3.959 1.00 0.00 C ATOM 0 H LEU A 39 -5.868 4.028 4.389 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.215 2.760 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.144 4.259 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.522 3.721 6.098 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.034 5.932 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.381 7.417 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.363 6.551 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.696 6.024 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.885 6.379 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.181 4.946 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.505 4.756 3.169 1.00 0.00 H new ATOM 576 N ARG A 40 -3.723 0.879 5.607 1.00 0.00 N ATOM 577 CA ARG A 40 -4.122 -0.328 6.320 1.00 0.00 C ATOM 578 C ARG A 40 -3.418 -0.419 7.671 1.00 0.00 C ATOM 579 O ARG A 40 -2.189 -0.417 7.744 1.00 0.00 O ATOM 580 CB ARG A 40 -3.805 -1.569 5.483 1.00 0.00 C ATOM 581 CG ARG A 40 -4.889 -1.919 4.477 1.00 0.00 C ATOM 582 CD ARG A 40 -5.919 -2.864 5.074 1.00 0.00 C ATOM 583 NE ARG A 40 -7.221 -2.737 4.424 1.00 0.00 N ATOM 584 CZ ARG A 40 -8.130 -3.705 4.403 1.00 0.00 C ATOM 585 NH1 ARG A 40 -7.881 -4.865 4.995 1.00 0.00 N ATOM 586 NH2 ARG A 40 -9.291 -3.513 3.791 1.00 0.00 N ATOM 0 H ARG A 40 -2.769 0.860 5.247 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.197 -0.279 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.867 -1.409 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.653 -2.417 6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.382 -1.007 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.437 -2.380 3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.566 -3.891 4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.024 -2.659 6.139 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.444 -1.856 3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.990 -5.015 5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.581 -5.607 4.978 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.486 -2.621 3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.988 -4.257 3.775 1.00 0.00 H new ATOM 600 N VAL A 41 -4.206 -0.499 8.739 1.00 0.00 N ATOM 601 CA VAL A 41 -3.660 -0.591 10.087 1.00 0.00 C ATOM 602 C VAL A 41 -3.569 -2.042 10.546 1.00 0.00 C ATOM 603 O VAL A 41 -4.586 -2.720 10.700 1.00 0.00 O ATOM 604 CB VAL A 41 -4.513 0.202 11.094 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.949 0.062 12.500 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.595 1.666 10.687 1.00 0.00 C ATOM 0 H VAL A 41 -5.225 -0.502 8.696 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.659 -0.161 10.052 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.522 -0.209 11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.565 0.629 13.197 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.948 -0.989 12.789 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.929 0.445 12.523 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.202 2.211 11.410 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.592 2.093 10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.050 1.744 9.699 1.00 0.00 H new ATOM 616 N LEU A 42 -2.346 -2.513 10.763 1.00 0.00 N ATOM 617 CA LEU A 42 -2.122 -3.885 11.205 1.00 0.00 C ATOM 618 C LEU A 42 -2.799 -4.142 12.547 1.00 0.00 C ATOM 619 O LEU A 42 -3.083 -3.221 13.314 1.00 0.00 O ATOM 620 CB LEU A 42 -0.623 -4.168 11.314 1.00 0.00 C ATOM 621 CG LEU A 42 0.105 -4.450 9.999 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.516 -4.950 10.267 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.672 -5.459 9.166 1.00 0.00 C ATOM 0 H LEU A 42 -1.494 -1.965 10.640 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.559 -4.555 10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.146 -3.313 11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.482 -5.024 11.975 1.00 0.00 H new ATOM 0 HG LEU A 42 0.173 -3.519 9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.019 -5.145 9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.070 -4.194 10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.471 -5.870 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.140 -5.648 8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.771 -6.391 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.662 -5.062 8.944 1.00 0.00 H new ATOM 635 N PRO A 43 -3.063 -5.423 12.842 1.00 0.00 N ATOM 636 CA PRO A 43 -3.707 -5.832 14.094 1.00 0.00 C ATOM 637 C PRO A 43 -2.798 -5.639 15.303 1.00 0.00 C ATOM 638 O PRO A 43 -3.148 -6.015 16.422 1.00 0.00 O ATOM 639 CB PRO A 43 -3.997 -7.319 13.875 1.00 0.00 C ATOM 640 CG PRO A 43 -2.989 -7.758 12.870 1.00 0.00 C ATOM 641 CD PRO A 43 -2.752 -6.573 11.975 1.00 0.00 C ATOM 0 HA PRO A 43 -4.595 -5.238 14.308 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.901 -7.882 14.804 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.013 -7.475 13.511 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.065 -8.071 13.356 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.354 -8.612 12.299 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.723 -6.539 11.617 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.395 -6.599 11.095 1.00 0.00 H new ATOM 649 N CYS A 44 -1.629 -5.052 15.071 1.00 0.00 N ATOM 650 CA CYS A 44 -0.669 -4.809 16.141 1.00 0.00 C ATOM 651 C CYS A 44 -0.544 -3.316 16.431 1.00 0.00 C ATOM 652 O CYS A 44 0.395 -2.879 17.095 1.00 0.00 O ATOM 653 CB CYS A 44 0.700 -5.382 15.766 1.00 0.00 C ATOM 654 SG CYS A 44 1.172 -5.105 14.029 1.00 0.00 S ATOM 0 H CYS A 44 -1.323 -4.736 14.151 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.031 -5.307 17.040 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.457 -4.938 16.412 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.700 -6.454 15.965 1.00 0.00 H new ATOM 659 N ASN A 45 -1.500 -2.540 15.930 1.00 0.00 N ATOM 660 CA ASN A 45 -1.497 -1.096 16.135 1.00 0.00 C ATOM 661 C ASN A 45 -0.383 -0.433 15.331 1.00 0.00 C ATOM 662 O ASN A 45 0.410 0.340 15.868 1.00 0.00 O ATOM 663 CB ASN A 45 -1.331 -0.771 17.621 1.00 0.00 C ATOM 664 CG ASN A 45 -2.197 -1.648 18.505 1.00 0.00 C ATOM 665 OD1 ASN A 45 -1.691 -2.427 19.312 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.511 -1.523 18.356 1.00 0.00 N ATOM 0 H ASN A 45 -2.286 -2.887 15.380 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.453 -0.704 15.788 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.285 -0.896 17.903 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.585 0.275 17.792 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.144 -2.086 18.924 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.887 -0.864 17.674 1.00 0.00 H new ATOM 673 N HIS A 46 -0.330 -0.742 14.039 1.00 0.00 N ATOM 674 CA HIS A 46 0.686 -0.175 13.159 1.00 0.00 C ATOM 675 C HIS A 46 0.074 0.255 11.829 1.00 0.00 C ATOM 676 O HIS A 46 -0.685 -0.493 11.214 1.00 0.00 O ATOM 677 CB HIS A 46 1.803 -1.191 12.915 1.00 0.00 C ATOM 678 CG HIS A 46 2.798 -1.266 14.031 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.409 -2.441 14.416 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.289 -0.303 14.846 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.232 -2.197 15.421 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.178 -0.908 15.701 1.00 0.00 N ATOM 0 H HIS A 46 -0.978 -1.381 13.579 1.00 0.00 H new ATOM 0 HA HIS A 46 1.105 0.705 13.647 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.361 -2.176 12.767 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.323 -0.933 11.992 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.030 0.745 14.827 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.845 -2.928 15.927 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.710 -0.438 16.433 1.00 0.00 H new ATOM 690 N GLU A 47 0.410 1.465 11.393 1.00 0.00 N ATOM 691 CA GLU A 47 -0.108 1.995 10.137 1.00 0.00 C ATOM 692 C GLU A 47 0.819 1.647 8.976 1.00 0.00 C ATOM 693 O GLU A 47 2.038 1.590 9.137 1.00 0.00 O ATOM 694 CB GLU A 47 -0.281 3.512 10.230 1.00 0.00 C ATOM 695 CG GLU A 47 -1.130 3.957 11.408 1.00 0.00 C ATOM 696 CD GLU A 47 -1.651 5.373 11.251 1.00 0.00 C ATOM 697 OE1 GLU A 47 -1.697 5.863 10.103 1.00 0.00 O ATOM 698 OE2 GLU A 47 -2.012 5.991 12.274 1.00 0.00 O ATOM 0 H GLU A 47 1.038 2.096 11.890 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.080 1.537 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.702 3.977 10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.736 3.874 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.972 3.275 11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.540 3.890 12.322 1.00 0.00 H new ATOM 705 N PHE A 48 0.232 1.416 7.806 1.00 0.00 N ATOM 706 CA PHE A 48 1.005 1.073 6.618 1.00 0.00 C ATOM 707 C PHE A 48 0.300 1.555 5.353 1.00 0.00 C ATOM 708 O PHE A 48 -0.753 2.190 5.419 1.00 0.00 O ATOM 709 CB PHE A 48 1.225 -0.440 6.547 1.00 0.00 C ATOM 710 CG PHE A 48 1.982 -0.991 7.722 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.366 -1.061 7.700 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.310 -1.440 8.847 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.065 -1.567 8.779 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.004 -1.947 9.929 1.00 0.00 C ATOM 715 CZ PHE A 48 3.383 -2.012 9.895 1.00 0.00 C ATOM 0 H PHE A 48 -0.776 1.460 7.655 1.00 0.00 H new ATOM 0 HA PHE A 48 1.972 1.572 6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.257 -0.937 6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.767 -0.678 5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.904 -0.716 6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.231 -1.393 8.879 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.144 -1.615 8.750 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.468 -2.292 10.801 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.927 -2.410 10.739 1.00 0.00 H new ATOM 725 N HIS A 49 0.890 1.250 4.202 1.00 0.00 N ATOM 726 CA HIS A 49 0.320 1.652 2.921 1.00 0.00 C ATOM 727 C HIS A 49 -0.512 0.525 2.319 1.00 0.00 C ATOM 728 O HIS A 49 -0.007 -0.570 2.073 1.00 0.00 O ATOM 729 CB HIS A 49 1.430 2.057 1.950 1.00 0.00 C ATOM 730 CG HIS A 49 1.744 3.521 1.976 1.00 0.00 C ATOM 731 ND1 HIS A 49 3.031 4.014 2.035 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.930 4.602 1.949 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.994 5.334 2.045 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.731 5.717 1.994 1.00 0.00 N ATOM 0 H HIS A 49 1.762 0.726 4.130 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.332 2.508 3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.333 1.496 2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.138 1.774 0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.149 4.590 1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.851 5.989 2.088 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.404 6.683 1.989 1.00 0.00 H new ATOM 742 N ALA A 50 -1.791 0.800 2.085 1.00 0.00 N ATOM 743 CA ALA A 50 -2.694 -0.190 1.511 1.00 0.00 C ATOM 744 C ALA A 50 -2.026 -0.941 0.364 1.00 0.00 C ATOM 745 O ALA A 50 -2.398 -2.072 0.048 1.00 0.00 O ATOM 746 CB ALA A 50 -3.975 0.477 1.034 1.00 0.00 C ATOM 0 H ALA A 50 -2.225 1.701 2.284 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.943 -0.913 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.640 -0.275 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.468 0.962 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.736 1.222 0.275 1.00 0.00 H new ATOM 752 N LYS A 51 -1.040 -0.305 -0.259 1.00 0.00 N ATOM 753 CA LYS A 51 -0.319 -0.912 -1.372 1.00 0.00 C ATOM 754 C LYS A 51 0.905 -1.674 -0.876 1.00 0.00 C ATOM 755 O LYS A 51 1.106 -2.839 -1.221 1.00 0.00 O ATOM 756 CB LYS A 51 0.107 0.161 -2.376 1.00 0.00 C ATOM 757 CG LYS A 51 0.956 1.262 -1.766 1.00 0.00 C ATOM 758 CD LYS A 51 1.243 2.366 -2.770 1.00 0.00 C ATOM 759 CE LYS A 51 0.141 3.415 -2.776 1.00 0.00 C ATOM 760 NZ LYS A 51 -0.971 3.045 -3.694 1.00 0.00 N ATOM 0 H LYS A 51 -0.721 0.632 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.988 -1.617 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.665 -0.311 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.784 0.605 -2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.443 1.681 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.896 0.842 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.195 2.839 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.343 1.936 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.248 3.539 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.556 4.377 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.336 3.900 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.621 2.381 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.735 2.594 -3.150 1.00 0.00 H new ATOM 774 N CYS A 52 1.721 -1.011 -0.063 1.00 0.00 N ATOM 775 CA CYS A 52 2.925 -1.625 0.481 1.00 0.00 C ATOM 776 C CYS A 52 2.586 -2.897 1.253 1.00 0.00 C ATOM 777 O CYS A 52 2.922 -4.003 0.829 1.00 0.00 O ATOM 778 CB CYS A 52 3.657 -0.641 1.396 1.00 0.00 C ATOM 779 SG CYS A 52 4.226 0.872 0.556 1.00 0.00 S ATOM 0 H CYS A 52 1.569 -0.047 0.233 1.00 0.00 H new ATOM 0 HA CYS A 52 3.576 -1.889 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.995 -0.362 2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.517 -1.144 1.838 1.00 0.00 H new ATOM 784 N VAL A 53 1.916 -2.732 2.390 1.00 0.00 N ATOM 785 CA VAL A 53 1.530 -3.866 3.221 1.00 0.00 C ATOM 786 C VAL A 53 0.908 -4.976 2.381 1.00 0.00 C ATOM 787 O VAL A 53 0.998 -6.154 2.726 1.00 0.00 O ATOM 788 CB VAL A 53 0.531 -3.445 4.315 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.848 -3.210 3.718 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.473 -4.494 5.415 1.00 0.00 C ATOM 0 H VAL A 53 1.630 -1.824 2.756 1.00 0.00 H new ATOM 0 HA VAL A 53 2.440 -4.237 3.693 1.00 0.00 H new ATOM 0 HB VAL A 53 0.874 -2.509 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.540 -2.913 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.791 -2.420 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.203 -4.128 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.238 -4.180 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.155 -5.447 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.461 -4.607 5.862 1.00 0.00 H new ATOM 800 N ASP A 54 0.278 -4.592 1.276 1.00 0.00 N ATOM 801 CA ASP A 54 -0.358 -5.555 0.385 1.00 0.00 C ATOM 802 C ASP A 54 0.687 -6.411 -0.325 1.00 0.00 C ATOM 803 O ASP A 54 0.480 -7.604 -0.548 1.00 0.00 O ATOM 804 CB ASP A 54 -1.228 -4.832 -0.645 1.00 0.00 C ATOM 805 CG ASP A 54 -2.654 -4.642 -0.166 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.842 -4.327 1.027 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.582 -4.809 -0.985 1.00 0.00 O ATOM 0 H ASP A 54 0.194 -3.621 0.976 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.989 -6.209 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.790 -3.859 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.233 -5.400 -1.575 1.00 0.00 H new ATOM 812 N LYS A 55 1.809 -5.793 -0.679 1.00 0.00 N ATOM 813 CA LYS A 55 2.887 -6.497 -1.363 1.00 0.00 C ATOM 814 C LYS A 55 3.782 -7.224 -0.365 1.00 0.00 C ATOM 815 O LYS A 55 4.424 -8.219 -0.703 1.00 0.00 O ATOM 816 CB LYS A 55 3.720 -5.516 -2.191 1.00 0.00 C ATOM 817 CG LYS A 55 3.204 -5.323 -3.607 1.00 0.00 C ATOM 818 CD LYS A 55 3.965 -4.227 -4.333 1.00 0.00 C ATOM 819 CE LYS A 55 5.304 -4.729 -4.853 1.00 0.00 C ATOM 820 NZ LYS A 55 6.107 -3.634 -5.464 1.00 0.00 N ATOM 0 H LYS A 55 1.995 -4.806 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 55 2.440 -7.236 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.738 -4.551 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.749 -5.872 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.296 -6.258 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.143 -5.073 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.366 -3.856 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.127 -3.387 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.866 -5.178 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.136 -5.512 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.012 -4.016 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.582 -3.222 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.289 -2.898 -4.752 1.00 0.00 H new ATOM 834 N TRP A 56 3.819 -6.722 0.864 1.00 0.00 N ATOM 835 CA TRP A 56 4.635 -7.325 1.912 1.00 0.00 C ATOM 836 C TRP A 56 4.004 -8.618 2.416 1.00 0.00 C ATOM 837 O TRP A 56 4.619 -9.684 2.362 1.00 0.00 O ATOM 838 CB TRP A 56 4.818 -6.346 3.072 1.00 0.00 C ATOM 839 CG TRP A 56 5.473 -6.961 4.271 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.849 -7.503 5.358 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.879 -7.095 4.504 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.783 -7.966 6.254 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.036 -7.729 5.753 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.021 -6.744 3.779 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.288 -8.016 6.290 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.263 -7.030 4.314 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.389 -7.661 5.559 1.00 0.00 C ATOM 0 H TRP A 56 3.294 -5.899 1.159 1.00 0.00 H new ATOM 0 HA TRP A 56 5.611 -7.560 1.488 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.417 -5.501 2.733 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.844 -5.951 3.362 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.779 -7.560 5.494 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.577 -8.413 7.147 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.935 -6.258 2.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.387 -8.502 7.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.152 -6.762 3.763 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.374 -7.871 5.949 1.00 0.00 H new ATOM 858 N LEU A 57 2.773 -8.519 2.907 1.00 0.00 N ATOM 859 CA LEU A 57 2.058 -9.681 3.422 1.00 0.00 C ATOM 860 C LEU A 57 2.230 -10.881 2.495 1.00 0.00 C ATOM 861 O LEU A 57 2.400 -12.012 2.951 1.00 0.00 O ATOM 862 CB LEU A 57 0.572 -9.359 3.587 1.00 0.00 C ATOM 863 CG LEU A 57 0.219 -8.373 4.701 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.217 -7.893 4.554 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.433 -9.010 6.066 1.00 0.00 C ATOM 0 H LEU A 57 2.249 -7.645 2.959 1.00 0.00 H new ATOM 0 HA LEU A 57 2.479 -9.933 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.200 -8.959 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.037 -10.291 3.771 1.00 0.00 H new ATOM 0 HG LEU A 57 0.880 -7.510 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.450 -7.192 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.338 -7.396 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.893 -8.746 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.177 -8.293 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.202 -9.891 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.478 -9.303 6.171 1.00 0.00 H new ATOM 877 N LYS A 58 2.188 -10.625 1.192 1.00 0.00 N ATOM 878 CA LYS A 58 2.342 -11.682 0.200 1.00 0.00 C ATOM 879 C LYS A 58 3.617 -12.482 0.450 1.00 0.00 C ATOM 880 O LYS A 58 3.593 -13.712 0.483 1.00 0.00 O ATOM 881 CB LYS A 58 2.370 -11.087 -1.210 1.00 0.00 C ATOM 882 CG LYS A 58 2.678 -12.104 -2.294 1.00 0.00 C ATOM 883 CD LYS A 58 2.886 -11.436 -3.643 1.00 0.00 C ATOM 884 CE LYS A 58 1.581 -11.327 -4.418 1.00 0.00 C ATOM 885 NZ LYS A 58 0.842 -10.078 -4.085 1.00 0.00 N ATOM 0 H LYS A 58 2.049 -9.694 0.798 1.00 0.00 H new ATOM 0 HA LYS A 58 1.489 -12.354 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.405 -10.626 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.116 -10.294 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.572 -12.666 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.860 -12.821 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.308 -10.442 -3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.610 -12.007 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.790 -11.351 -5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.954 -12.190 -4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.121 -10.317 -3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.337 -9.575 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.793 -9.469 -4.926 1.00 0.00 H new ATOM 899 N ALA A 59 4.728 -11.775 0.627 1.00 0.00 N ATOM 900 CA ALA A 59 6.012 -12.419 0.878 1.00 0.00 C ATOM 901 C ALA A 59 6.078 -12.976 2.296 1.00 0.00 C ATOM 902 O ALA A 59 6.498 -14.113 2.507 1.00 0.00 O ATOM 903 CB ALA A 59 7.150 -11.437 0.641 1.00 0.00 C ATOM 0 H ALA A 59 4.765 -10.756 0.601 1.00 0.00 H new ATOM 0 HA ALA A 59 6.115 -13.252 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.103 -11.931 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.122 -11.090 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.042 -10.586 1.313 1.00 0.00 H new ATOM 909 N ASN A 60 5.661 -12.167 3.265 1.00 0.00 N ATOM 910 CA ASN A 60 5.675 -12.580 4.664 1.00 0.00 C ATOM 911 C ASN A 60 4.380 -12.177 5.362 1.00 0.00 C ATOM 912 O ASN A 60 4.060 -10.993 5.465 1.00 0.00 O ATOM 913 CB ASN A 60 6.872 -11.960 5.388 1.00 0.00 C ATOM 914 CG ASN A 60 8.195 -12.522 4.904 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.532 -13.673 5.182 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.951 -11.710 4.176 1.00 0.00 N ATOM 0 H ASN A 60 5.310 -11.223 3.107 1.00 0.00 H new ATOM 0 HA ASN A 60 5.762 -13.666 4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.863 -10.880 5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.776 -12.136 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.852 -12.032 3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.631 -10.764 3.970 1.00 0.00 H new ATOM 923 N ARG A 61 3.639 -13.171 5.842 1.00 0.00 N ATOM 924 CA ARG A 61 2.378 -12.921 6.530 1.00 0.00 C ATOM 925 C ARG A 61 2.624 -12.424 7.951 1.00 0.00 C ATOM 926 O ARG A 61 2.035 -12.928 8.908 1.00 0.00 O ATOM 927 CB ARG A 61 1.530 -14.194 6.563 1.00 0.00 C ATOM 928 CG ARG A 61 1.264 -14.785 5.188 1.00 0.00 C ATOM 929 CD ARG A 61 0.293 -15.952 5.262 1.00 0.00 C ATOM 930 NE ARG A 61 0.878 -17.110 5.932 1.00 0.00 N ATOM 931 CZ ARG A 61 0.205 -18.225 6.194 1.00 0.00 C ATOM 932 NH1 ARG A 61 -1.069 -18.333 5.844 1.00 0.00 N ATOM 933 NH2 ARG A 61 0.807 -19.236 6.808 1.00 0.00 N ATOM 0 H ARG A 61 3.890 -14.157 5.767 1.00 0.00 H new ATOM 0 HA ARG A 61 1.840 -12.148 5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.033 -14.940 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.577 -13.973 7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.859 -14.015 4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.203 -15.119 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.606 -15.642 5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.013 -16.233 4.254 1.00 0.00 H new ATOM 0 HE ARG A 61 1.857 -17.060 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.536 -17.559 5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.583 -19.191 6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.787 -19.157 7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.289 -20.092 7.009 1.00 0.00 H new ATOM 947 N THR A 62 3.499 -11.432 8.083 1.00 0.00 N ATOM 948 CA THR A 62 3.825 -10.868 9.386 1.00 0.00 C ATOM 949 C THR A 62 4.048 -9.362 9.294 1.00 0.00 C ATOM 950 O THR A 62 4.088 -8.796 8.201 1.00 0.00 O ATOM 951 CB THR A 62 5.082 -11.526 9.985 1.00 0.00 C ATOM 952 OG1 THR A 62 6.193 -11.359 9.097 1.00 0.00 O ATOM 953 CG2 THR A 62 4.848 -13.007 10.240 1.00 0.00 C ATOM 0 H THR A 62 3.995 -11.002 7.302 1.00 0.00 H new ATOM 0 HA THR A 62 2.974 -11.067 10.038 1.00 0.00 H new ATOM 0 HB THR A 62 5.301 -11.040 10.936 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.989 -11.779 9.486 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.749 -13.450 10.663 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.021 -13.130 10.939 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.606 -13.504 9.301 1.00 0.00 H new ATOM 961 N CYS A 63 4.195 -8.719 10.447 1.00 0.00 N ATOM 962 CA CYS A 63 4.415 -7.278 10.496 1.00 0.00 C ATOM 963 C CYS A 63 5.895 -6.948 10.323 1.00 0.00 C ATOM 964 O CYS A 63 6.754 -7.424 11.065 1.00 0.00 O ATOM 965 CB CYS A 63 3.906 -6.709 11.822 1.00 0.00 C ATOM 966 SG CYS A 63 4.211 -4.925 12.031 1.00 0.00 S ATOM 0 H CYS A 63 4.166 -9.173 11.360 1.00 0.00 H new ATOM 0 HA CYS A 63 3.861 -6.822 9.676 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.835 -6.895 11.898 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.381 -7.247 12.642 1.00 0.00 H new ATOM 971 N PRO A 64 6.200 -6.112 9.320 1.00 0.00 N ATOM 972 CA PRO A 64 7.575 -5.698 9.026 1.00 0.00 C ATOM 973 C PRO A 64 8.145 -4.776 10.098 1.00 0.00 C ATOM 974 O PRO A 64 9.228 -4.213 9.934 1.00 0.00 O ATOM 975 CB PRO A 64 7.445 -4.953 7.695 1.00 0.00 C ATOM 976 CG PRO A 64 6.037 -4.467 7.669 1.00 0.00 C ATOM 977 CD PRO A 64 5.227 -5.505 8.396 1.00 0.00 C ATOM 0 HA PRO A 64 8.257 -6.548 8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.151 -4.125 7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.652 -5.611 6.851 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.951 -3.495 8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.685 -4.345 6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.389 -5.058 8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.810 -6.242 7.710 1.00 0.00 H new ATOM 985 N ILE A 65 7.410 -4.626 11.195 1.00 0.00 N ATOM 986 CA ILE A 65 7.844 -3.774 12.295 1.00 0.00 C ATOM 987 C ILE A 65 8.093 -4.590 13.558 1.00 0.00 C ATOM 988 O ILE A 65 9.236 -4.776 13.976 1.00 0.00 O ATOM 989 CB ILE A 65 6.806 -2.678 12.601 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.507 -1.862 11.341 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.305 -1.774 13.718 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.478 -0.775 11.556 1.00 0.00 C ATOM 0 H ILE A 65 6.511 -5.084 11.345 1.00 0.00 H new ATOM 0 HA ILE A 65 8.776 -3.303 11.981 1.00 0.00 H new ATOM 0 HB ILE A 65 5.882 -3.154 12.930 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.432 -1.410 10.983 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.156 -2.534 10.558 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.561 -1.004 13.923 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.472 -2.366 14.618 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.240 -1.303 13.415 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.316 -0.238 10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.540 -1.222 11.885 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.836 -0.081 12.317 1.00 0.00 H new ATOM 1004 N CYS A 66 7.014 -5.078 14.163 1.00 0.00 N ATOM 1005 CA CYS A 66 7.114 -5.876 15.378 1.00 0.00 C ATOM 1006 C CYS A 66 7.025 -7.366 15.059 1.00 0.00 C ATOM 1007 O CYS A 66 6.662 -8.174 15.914 1.00 0.00 O ATOM 1008 CB CYS A 66 6.007 -5.488 16.361 1.00 0.00 C ATOM 1009 SG CYS A 66 4.321 -5.779 15.735 1.00 0.00 S ATOM 0 H CYS A 66 6.061 -4.934 13.831 1.00 0.00 H new ATOM 0 HA CYS A 66 8.083 -5.677 15.835 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.142 -6.051 17.285 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.113 -4.433 16.612 1.00 0.00 H new ATOM 1014 N ARG A 67 7.361 -7.722 13.823 1.00 0.00 N ATOM 1015 CA ARG A 67 7.319 -9.113 13.391 1.00 0.00 C ATOM 1016 C ARG A 67 6.112 -9.832 13.988 1.00 0.00 C ATOM 1017 O ARG A 67 6.126 -11.050 14.161 1.00 0.00 O ATOM 1018 CB ARG A 67 8.606 -9.834 13.794 1.00 0.00 C ATOM 1019 CG ARG A 67 9.827 -9.387 13.006 1.00 0.00 C ATOM 1020 CD ARG A 67 10.906 -10.458 12.994 1.00 0.00 C ATOM 1021 NE ARG A 67 12.065 -10.059 12.200 1.00 0.00 N ATOM 1022 CZ ARG A 67 13.289 -10.537 12.396 1.00 0.00 C ATOM 1023 NH1 ARG A 67 13.512 -11.426 13.354 1.00 0.00 N ATOM 1024 NH2 ARG A 67 14.293 -10.125 11.632 1.00 0.00 N ATOM 0 H ARG A 67 7.665 -7.066 13.104 1.00 0.00 H new ATOM 0 HA ARG A 67 7.228 -9.127 12.305 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.788 -9.668 14.856 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.469 -10.907 13.658 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.535 -9.152 11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.227 -8.471 13.441 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.221 -10.666 14.016 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.493 -11.384 12.593 1.00 0.00 H new ATOM 0 HE ARG A 67 11.927 -9.376 11.455 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.743 -11.745 13.943 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.453 -11.791 13.502 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.125 -9.441 10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.233 -10.492 11.783 1.00 0.00 H new ATOM 1038 N ALA A 68 5.071 -9.069 14.302 1.00 0.00 N ATOM 1039 CA ALA A 68 3.856 -9.633 14.878 1.00 0.00 C ATOM 1040 C ALA A 68 3.017 -10.331 13.814 1.00 0.00 C ATOM 1041 O ALA A 68 2.663 -9.734 12.797 1.00 0.00 O ATOM 1042 CB ALA A 68 3.044 -8.545 15.565 1.00 0.00 C ATOM 0 H ALA A 68 5.044 -8.058 14.167 1.00 0.00 H new ATOM 0 HA ALA A 68 4.146 -10.377 15.620 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.140 -8.980 15.991 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.639 -8.094 16.360 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.771 -7.780 14.838 1.00 0.00 H new ATOM 1048 N ASP A 69 2.701 -11.599 14.054 1.00 0.00 N ATOM 1049 CA ASP A 69 1.902 -12.379 13.116 1.00 0.00 C ATOM 1050 C ASP A 69 0.525 -11.753 12.924 1.00 0.00 C ATOM 1051 O ASP A 69 -0.293 -11.734 13.843 1.00 0.00 O ATOM 1052 CB ASP A 69 1.757 -13.819 13.612 1.00 0.00 C ATOM 1053 CG ASP A 69 1.517 -14.799 12.480 1.00 0.00 C ATOM 1054 OD1 ASP A 69 2.162 -14.653 11.421 1.00 0.00 O ATOM 1055 OD2 ASP A 69 0.684 -15.713 12.654 1.00 0.00 O ATOM 0 H ASP A 69 2.986 -12.109 14.890 1.00 0.00 H new ATOM 0 HA ASP A 69 2.416 -12.384 12.155 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.659 -14.107 14.153 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.929 -13.875 14.319 1.00 0.00 H new ATOM 1060 N SER A 70 0.276 -11.240 11.723 1.00 0.00 N ATOM 1061 CA SER A 70 -1.001 -10.609 11.411 1.00 0.00 C ATOM 1062 C SER A 70 -2.148 -11.605 11.548 1.00 0.00 C ATOM 1063 O SER A 70 -3.144 -11.335 12.217 1.00 0.00 O ATOM 1064 CB SER A 70 -0.976 -10.033 9.994 1.00 0.00 C ATOM 1065 OG SER A 70 -2.078 -9.169 9.775 1.00 0.00 O ATOM 0 H SER A 70 0.942 -11.249 10.950 1.00 0.00 H new ATOM 0 HA SER A 70 -1.161 -9.799 12.122 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.045 -9.488 9.836 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.997 -10.845 9.267 1.00 0.00 H new ATOM 0 HG SER A 70 -2.038 -8.813 8.863 1.00 0.00 H new ATOM 1071 N GLY A 71 -1.999 -12.761 10.907 1.00 0.00 N ATOM 1072 CA GLY A 71 -3.029 -13.781 10.968 1.00 0.00 C ATOM 1073 C GLY A 71 -3.303 -14.410 9.616 1.00 0.00 C ATOM 1074 O GLY A 71 -3.229 -13.755 8.577 1.00 0.00 O ATOM 0 H GLY A 71 -1.183 -13.009 10.347 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.727 -14.557 11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.949 -13.342 11.354 1.00 0.00 H new ATOM 1078 N PRO A 72 -3.628 -15.711 9.620 1.00 0.00 N ATOM 1079 CA PRO A 72 -3.920 -16.457 8.392 1.00 0.00 C ATOM 1080 C PRO A 72 -5.237 -16.030 7.753 1.00 0.00 C ATOM 1081 O PRO A 72 -6.233 -15.818 8.445 1.00 0.00 O ATOM 1082 CB PRO A 72 -4.004 -17.909 8.871 1.00 0.00 C ATOM 1083 CG PRO A 72 -4.381 -17.812 10.309 1.00 0.00 C ATOM 1084 CD PRO A 72 -3.736 -16.555 10.822 1.00 0.00 C ATOM 0 HA PRO A 72 -3.165 -16.290 7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.746 -18.471 8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.051 -18.423 8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.464 -17.771 10.427 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.033 -18.684 10.863 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.341 -16.079 11.594 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.759 -16.755 11.261 1.00 0.00 H new ATOM 1092 N SER A 73 -5.235 -15.905 6.430 1.00 0.00 N ATOM 1093 CA SER A 73 -6.429 -15.500 5.698 1.00 0.00 C ATOM 1094 C SER A 73 -6.897 -16.611 4.764 1.00 0.00 C ATOM 1095 O SER A 73 -7.273 -16.358 3.619 1.00 0.00 O ATOM 1096 CB SER A 73 -6.154 -14.226 4.897 1.00 0.00 C ATOM 1097 OG SER A 73 -5.384 -14.507 3.740 1.00 0.00 O ATOM 0 H SER A 73 -4.419 -16.079 5.843 1.00 0.00 H new ATOM 0 HA SER A 73 -7.219 -15.302 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.098 -13.765 4.606 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.627 -13.506 5.523 1.00 0.00 H new ATOM 0 HG SER A 73 -5.924 -15.022 3.105 1.00 0.00 H new ATOM 1103 N SER A 74 -6.872 -17.844 5.261 1.00 0.00 N ATOM 1104 CA SER A 74 -7.289 -18.996 4.470 1.00 0.00 C ATOM 1105 C SER A 74 -6.496 -19.078 3.169 1.00 0.00 C ATOM 1106 O SER A 74 -7.059 -19.300 2.098 1.00 0.00 O ATOM 1107 CB SER A 74 -8.786 -18.915 4.164 1.00 0.00 C ATOM 1108 OG SER A 74 -9.556 -19.409 5.246 1.00 0.00 O ATOM 0 H SER A 74 -6.567 -18.071 6.208 1.00 0.00 H new ATOM 0 HA SER A 74 -7.092 -19.896 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.063 -17.881 3.959 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.008 -19.489 3.264 1.00 0.00 H new ATOM 0 HG SER A 74 -10.509 -19.345 5.026 1.00 0.00 H new ATOM 1114 N GLY A 75 -5.183 -18.898 3.272 1.00 0.00 N ATOM 1115 CA GLY A 75 -4.332 -18.955 2.098 1.00 0.00 C ATOM 1116 C GLY A 75 -2.880 -18.663 2.419 1.00 0.00 C ATOM 1117 O GLY A 75 -2.400 -19.092 3.467 1.00 0.00 O ATOM 0 H GLY A 75 -4.693 -18.714 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.409 -19.943 1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.689 -18.237 1.359 1.00 0.00 H new TER 1121 GLY A 75 HETATM 1122 ZN ZN A 201 4.616 2.698 1.988 1.00 0.00 ZN HETATM 1123 ZN ZN A 401 3.425 -4.431 14.189 1.00 0.00 ZN