USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 419 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN :FLIP amide:sc= -0.208 F(o=-0.91,f=-0.31) USER MOD Set 1.2: A 24 THR OG1 : rot -131:sc= -0.1 USER MOD Set 2.1: A 7 CYS SG : rot -57:sc= 0.991 USER MOD Set 2.2: A 12 ASN :FLIP amide:sc= -1.51 F(o=-2.8,f=-1.9) USER MOD Set 2.3: A 14 CYS SG : rot 83:sc= -2.03! USER MOD Set 2.4: A 28 CYS SG : rot -160:sc= 0.366 USER MOD Set 2.5: A 43 CYS SG : rot 180:sc= -0.581 USER MOD Set 2.6: A 54 CYS SG : rot 56:sc= 0.824 USER MOD Set 3.1: A 8 THR OG1 : rot -26:sc= -0.29 USER MOD Set 3.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 0.00548 (180deg=0.00409) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0.566 (180deg=0.532) USER MOD Single : A 33 ASN : amide:sc=-0.00202 X(o=-0.002,f=-0.065) USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= -0.0214 (180deg=-0.222) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 163:sc= 0.68 USER MOD Single : A 37 THR OG1 : rot -50:sc= 0.802 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.673 X(o=-0.67,f=-0.63) USER MOD Single : A 41 ASN : amide:sc= -0.944 K(o=-0.94,f=-12!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00905 X(o=-0.009,f=-0.21) USER MOD Single : A 50 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 -12.617 0.226 -1.202 1.00 0.00 N ATOM 12 CA LYS A 2 -11.231 -0.157 -1.445 1.00 0.00 C ATOM 13 C LYS A 2 -10.495 0.932 -2.221 1.00 0.00 C ATOM 14 O LYS A 2 -11.110 1.867 -2.732 1.00 0.00 O ATOM 15 CB LYS A 2 -11.172 -1.476 -2.218 1.00 0.00 C ATOM 16 CG LYS A 2 -11.373 -2.702 -1.343 1.00 0.00 C ATOM 17 CD LYS A 2 -12.015 -3.841 -2.118 1.00 0.00 C ATOM 18 CE LYS A 2 -11.962 -5.145 -1.337 1.00 0.00 C ATOM 19 NZ LYS A 2 -12.263 -6.321 -2.200 1.00 0.00 N ATOM 0 HA LYS A 2 -10.741 -0.287 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.935 -1.466 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.207 -1.551 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.412 -3.028 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.000 -2.442 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.052 -3.591 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.504 -3.966 -3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.973 -5.263 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.677 -5.105 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.217 -7.190 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.217 -6.221 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.566 -6.374 -2.970 1.00 0.00 H new ATOM 33 N TYR A 3 -9.176 0.801 -2.304 1.00 0.00 N ATOM 34 CA TYR A 3 -8.356 1.775 -3.017 1.00 0.00 C ATOM 35 C TYR A 3 -7.075 1.130 -3.538 1.00 0.00 C ATOM 36 O TYR A 3 -6.316 0.525 -2.781 1.00 0.00 O ATOM 37 CB TYR A 3 -8.011 2.950 -2.101 1.00 0.00 C ATOM 38 CG TYR A 3 -9.203 3.813 -1.749 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.640 4.813 -2.609 1.00 0.00 C ATOM 40 CD2 TYR A 3 -9.891 3.629 -0.557 1.00 0.00 C ATOM 41 CE1 TYR A 3 -10.726 5.604 -2.292 1.00 0.00 C ATOM 42 CE2 TYR A 3 -10.980 4.413 -0.231 1.00 0.00 C ATOM 43 CZ TYR A 3 -11.394 5.400 -1.102 1.00 0.00 C ATOM 44 OH TYR A 3 -12.478 6.185 -0.781 1.00 0.00 O ATOM 0 H TYR A 3 -8.652 0.032 -1.887 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.930 2.142 -3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.567 2.566 -1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.256 3.568 -2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.121 4.974 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.568 2.859 0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.051 6.378 -2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.504 4.255 0.700 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.834 5.911 0.090 1.00 0.00 H new ATOM 54 N THR A 4 -6.840 1.265 -4.840 1.00 0.00 N ATOM 55 CA THR A 4 -5.653 0.696 -5.465 1.00 0.00 C ATOM 56 C THR A 4 -4.555 1.743 -5.613 1.00 0.00 C ATOM 57 O THR A 4 -4.832 2.935 -5.737 1.00 0.00 O ATOM 58 CB THR A 4 -5.976 0.108 -6.853 1.00 0.00 C ATOM 59 OG1 THR A 4 -7.194 -0.642 -6.795 1.00 0.00 O ATOM 60 CG2 THR A 4 -4.845 -0.787 -7.337 1.00 0.00 C ATOM 0 H THR A 4 -7.457 1.764 -5.482 1.00 0.00 H new ATOM 0 HA THR A 4 -5.304 -0.104 -4.812 1.00 0.00 H new ATOM 0 HB THR A 4 -6.091 0.933 -7.556 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.393 -1.011 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.095 -1.191 -8.318 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.926 -0.206 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.703 -1.607 -6.633 1.00 0.00 H new ATOM 68 N GLY A 5 -3.305 1.288 -5.598 1.00 0.00 N ATOM 69 CA GLY A 5 -2.183 2.199 -5.731 1.00 0.00 C ATOM 70 C GLY A 5 -0.914 1.495 -6.168 1.00 0.00 C ATOM 71 O GLY A 5 -0.938 0.654 -7.066 1.00 0.00 O ATOM 0 H GLY A 5 -3.050 0.306 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.432 2.975 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.009 2.697 -4.777 1.00 0.00 H new ATOM 75 N LYS A 6 0.201 1.841 -5.533 1.00 0.00 N ATOM 76 CA LYS A 6 1.487 1.237 -5.861 1.00 0.00 C ATOM 77 C LYS A 6 2.506 1.492 -4.754 1.00 0.00 C ATOM 78 O LYS A 6 2.535 2.571 -4.162 1.00 0.00 O ATOM 79 CB LYS A 6 2.011 1.792 -7.188 1.00 0.00 C ATOM 80 CG LYS A 6 1.426 3.144 -7.555 1.00 0.00 C ATOM 81 CD LYS A 6 1.991 3.658 -8.869 1.00 0.00 C ATOM 82 CE LYS A 6 1.627 2.744 -10.028 1.00 0.00 C ATOM 83 NZ LYS A 6 0.830 3.455 -11.066 1.00 0.00 N ATOM 0 H LYS A 6 0.240 2.537 -4.788 1.00 0.00 H new ATOM 0 HA LYS A 6 1.341 0.161 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.096 1.878 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.787 1.081 -7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.342 3.064 -7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.638 3.861 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.611 4.661 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.075 3.737 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.537 2.347 -10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.059 1.892 -9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.602 2.798 -11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.051 3.812 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.382 4.253 -11.441 1.00 0.00 H new ATOM 97 N CYS A 7 3.340 0.494 -4.483 1.00 0.00 N ATOM 98 CA CYS A 7 4.360 0.612 -3.447 1.00 0.00 C ATOM 99 C CYS A 7 5.730 0.881 -4.062 1.00 0.00 C ATOM 100 O CYS A 7 5.891 0.859 -5.283 1.00 0.00 O ATOM 101 CB CYS A 7 4.408 -0.663 -2.603 1.00 0.00 C ATOM 102 SG CYS A 7 2.941 -0.927 -1.580 1.00 0.00 S ATOM 0 H CYS A 7 3.330 -0.405 -4.965 1.00 0.00 H new ATOM 0 HA CYS A 7 4.098 1.454 -2.806 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.535 -1.520 -3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.286 -0.626 -1.958 1.00 0.00 H new ATOM 0 HG CYS A 7 2.766 0.098 -0.800 1.00 0.00 H new ATOM 108 N THR A 8 6.715 1.137 -3.209 1.00 0.00 N ATOM 109 CA THR A 8 8.071 1.414 -3.666 1.00 0.00 C ATOM 110 C THR A 8 9.047 0.352 -3.172 1.00 0.00 C ATOM 111 O THR A 8 9.011 -0.044 -2.007 1.00 0.00 O ATOM 112 CB THR A 8 8.553 2.798 -3.193 1.00 0.00 C ATOM 113 OG1 THR A 8 9.009 2.721 -1.838 1.00 0.00 O ATOM 114 CG2 THR A 8 7.436 3.826 -3.300 1.00 0.00 C ATOM 0 H THR A 8 6.599 1.158 -2.196 1.00 0.00 H new ATOM 0 HA THR A 8 8.045 1.400 -4.756 1.00 0.00 H new ATOM 0 HB THR A 8 9.376 3.111 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.558 1.979 -1.383 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.800 4.796 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.111 3.904 -4.338 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.596 3.516 -2.679 1.00 0.00 H new ATOM 122 N LYS A 9 9.920 -0.105 -4.063 1.00 0.00 N ATOM 123 CA LYS A 9 10.908 -1.119 -3.717 1.00 0.00 C ATOM 124 C LYS A 9 11.793 -0.648 -2.568 1.00 0.00 C ATOM 125 O LYS A 9 12.404 -1.457 -1.870 1.00 0.00 O ATOM 126 CB LYS A 9 11.771 -1.456 -4.935 1.00 0.00 C ATOM 127 CG LYS A 9 12.293 -0.233 -5.668 1.00 0.00 C ATOM 128 CD LYS A 9 13.810 -0.239 -5.755 1.00 0.00 C ATOM 129 CE LYS A 9 14.313 -1.391 -6.613 1.00 0.00 C ATOM 130 NZ LYS A 9 14.854 -0.916 -7.916 1.00 0.00 N ATOM 0 H LYS A 9 9.963 0.212 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 9 10.375 -2.015 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.616 -2.065 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.187 -2.062 -5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.870 -0.202 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.961 0.669 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.156 0.706 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.233 -0.318 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.089 -1.934 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.499 -2.093 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.092 -1.734 -8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.139 -0.334 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.709 -0.348 -7.750 1.00 0.00 H new ATOM 144 N SER A 10 11.855 0.667 -2.377 1.00 0.00 N ATOM 145 CA SER A 10 12.668 1.246 -1.313 1.00 0.00 C ATOM 146 C SER A 10 11.803 1.626 -0.115 1.00 0.00 C ATOM 147 O SER A 10 12.228 2.384 0.758 1.00 0.00 O ATOM 148 CB SER A 10 13.416 2.476 -1.828 1.00 0.00 C ATOM 149 OG SER A 10 12.512 3.491 -2.231 1.00 0.00 O ATOM 0 H SER A 10 11.353 1.350 -2.944 1.00 0.00 H new ATOM 0 HA SER A 10 13.392 0.497 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.073 2.859 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.050 2.194 -2.669 1.00 0.00 H new ATOM 0 HG SER A 10 13.015 4.267 -2.555 1.00 0.00 H new ATOM 155 N LYS A 11 10.586 1.094 -0.079 1.00 0.00 N ATOM 156 CA LYS A 11 9.659 1.375 1.011 1.00 0.00 C ATOM 157 C LYS A 11 8.390 0.541 0.875 1.00 0.00 C ATOM 158 O LYS A 11 7.570 0.782 -0.010 1.00 0.00 O ATOM 159 CB LYS A 11 9.304 2.863 1.035 1.00 0.00 C ATOM 160 CG LYS A 11 9.452 3.503 2.405 1.00 0.00 C ATOM 161 CD LYS A 11 9.578 5.014 2.305 1.00 0.00 C ATOM 162 CE LYS A 11 11.001 5.474 2.581 1.00 0.00 C ATOM 163 NZ LYS A 11 11.045 6.883 3.062 1.00 0.00 N ATOM 0 H LYS A 11 10.218 0.465 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 11 10.148 1.109 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.941 3.391 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.276 2.988 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.589 3.249 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.331 3.096 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.276 5.340 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.898 5.485 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.455 4.821 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.595 5.382 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.032 7.159 3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.634 7.509 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.499 6.966 3.943 1.00 0.00 H new ATOM 177 N ASN A 12 8.234 -0.440 1.758 1.00 0.00 N ATOM 178 CA ASN A 12 7.064 -1.310 1.737 1.00 0.00 C ATOM 179 C ASN A 12 5.900 -0.675 2.492 1.00 0.00 C ATOM 180 O ASN A 12 5.594 -1.063 3.619 1.00 0.00 O ATOM 181 CB ASN A 12 7.402 -2.671 2.348 1.00 0.00 C ATOM 182 CG ASN A 12 6.192 -3.580 2.440 1.00 0.00 C ATOM 183 OD1 ASN A 12 5.792 -3.912 3.663 1.00 0.00 O flip ATOM 184 ND2 ASN A 12 5.623 -3.980 1.424 1.00 0.00 N flip ATOM 0 H ASN A 12 8.904 -0.652 2.497 1.00 0.00 H new ATOM 0 HA ASN A 12 6.766 -1.451 0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.172 -3.155 1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.820 -2.525 3.344 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.964 -3.700 0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.810 -4.591 1.502 1.00 0.00 H new ATOM 191 N GLU A 13 5.256 0.303 1.863 1.00 0.00 N ATOM 192 CA GLU A 13 4.127 0.992 2.477 1.00 0.00 C ATOM 193 C GLU A 13 2.985 1.160 1.479 1.00 0.00 C ATOM 194 O GLU A 13 3.207 1.501 0.316 1.00 0.00 O ATOM 195 CB GLU A 13 4.562 2.360 3.005 1.00 0.00 C ATOM 196 CG GLU A 13 4.935 3.346 1.912 1.00 0.00 C ATOM 197 CD GLU A 13 6.188 4.134 2.238 1.00 0.00 C ATOM 198 OE1 GLU A 13 6.538 4.224 3.433 1.00 0.00 O ATOM 199 OE2 GLU A 13 6.820 4.661 1.298 1.00 0.00 O ATOM 0 H GLU A 13 5.497 0.636 0.929 1.00 0.00 H new ATOM 0 HA GLU A 13 3.773 0.385 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.754 2.782 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.416 2.228 3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.083 2.806 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.107 4.037 1.754 1.00 0.00 H new ATOM 206 N CYS A 14 1.763 0.917 1.941 1.00 0.00 N ATOM 207 CA CYS A 14 0.585 1.040 1.089 1.00 0.00 C ATOM 208 C CYS A 14 0.319 2.500 0.737 1.00 0.00 C ATOM 209 O CYS A 14 -0.096 3.289 1.585 1.00 0.00 O ATOM 210 CB CYS A 14 -0.637 0.439 1.786 1.00 0.00 C ATOM 211 SG CYS A 14 -1.486 -0.831 0.820 1.00 0.00 S ATOM 0 H CYS A 14 1.562 0.634 2.900 1.00 0.00 H new ATOM 0 HA CYS A 14 0.774 0.492 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.324 0.008 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.342 1.239 2.014 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.877 -1.970 0.970 1.00 0.00 H new ATOM 217 N LYS A 15 0.562 2.853 -0.521 1.00 0.00 N ATOM 218 CA LYS A 15 0.349 4.217 -0.988 1.00 0.00 C ATOM 219 C LYS A 15 -0.908 4.309 -1.848 1.00 0.00 C ATOM 220 O LYS A 15 -0.935 3.822 -2.979 1.00 0.00 O ATOM 221 CB LYS A 15 1.562 4.700 -1.787 1.00 0.00 C ATOM 222 CG LYS A 15 1.251 5.849 -2.730 1.00 0.00 C ATOM 223 CD LYS A 15 0.686 7.046 -1.983 1.00 0.00 C ATOM 224 CE LYS A 15 -0.632 7.507 -2.586 1.00 0.00 C ATOM 225 NZ LYS A 15 -0.423 8.389 -3.768 1.00 0.00 N ATOM 0 H LYS A 15 0.907 2.212 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 15 0.218 4.856 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.343 5.012 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.962 3.866 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.158 6.143 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.536 5.519 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.537 6.785 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.405 7.865 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.220 6.638 -2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.209 8.042 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.345 8.682 -4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.116 9.231 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.106 7.871 -4.499 1.00 0.00 H new ATOM 239 N TYR A 16 -1.946 4.935 -1.305 1.00 0.00 N ATOM 240 CA TYR A 16 -3.206 5.089 -2.022 1.00 0.00 C ATOM 241 C TYR A 16 -3.760 6.500 -1.853 1.00 0.00 C ATOM 242 O TYR A 16 -3.223 7.305 -1.091 1.00 0.00 O ATOM 243 CB TYR A 16 -4.229 4.065 -1.526 1.00 0.00 C ATOM 244 CG TYR A 16 -4.692 4.310 -0.108 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.860 4.048 0.972 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.963 4.808 0.151 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.280 4.270 2.269 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.392 5.035 1.444 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.547 4.763 2.500 1.00 0.00 C ATOM 250 OH TYR A 16 -5.969 4.987 3.791 1.00 0.00 O ATOM 0 H TYR A 16 -1.940 5.344 -0.371 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.015 4.917 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.094 4.078 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.793 3.068 -1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.866 3.664 0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.627 5.021 -0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.620 4.059 3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.383 5.423 1.627 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.885 5.336 3.780 1.00 0.00 H new ATOM 260 N LYS A 17 -4.839 6.794 -2.570 1.00 0.00 N ATOM 261 CA LYS A 17 -5.470 8.108 -2.500 1.00 0.00 C ATOM 262 C LYS A 17 -6.829 8.022 -1.813 1.00 0.00 C ATOM 263 O LYS A 17 -7.712 7.288 -2.253 1.00 0.00 O ATOM 264 CB LYS A 17 -5.634 8.693 -3.905 1.00 0.00 C ATOM 265 CG LYS A 17 -4.416 9.462 -4.387 1.00 0.00 C ATOM 266 CD LYS A 17 -4.465 9.698 -5.888 1.00 0.00 C ATOM 267 CE LYS A 17 -3.714 10.961 -6.279 1.00 0.00 C ATOM 268 NZ LYS A 17 -2.468 10.656 -7.034 1.00 0.00 N ATOM 0 H LYS A 17 -5.295 6.141 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.826 8.762 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.843 7.884 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.500 9.355 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.360 10.419 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.511 8.909 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.033 8.842 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.503 9.776 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.361 11.594 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.465 11.528 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.986 11.544 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.839 10.073 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.707 10.138 -7.903 1.00 0.00 H new ATOM 282 N ASN A 18 -6.989 8.779 -0.732 1.00 0.00 N ATOM 283 CA ASN A 18 -8.241 8.789 0.016 1.00 0.00 C ATOM 284 C ASN A 18 -8.947 10.135 -0.123 1.00 0.00 C ATOM 285 O ASN A 18 -8.353 11.114 -0.576 1.00 0.00 O ATOM 286 CB ASN A 18 -7.980 8.487 1.493 1.00 0.00 C ATOM 287 CG ASN A 18 -7.653 9.735 2.289 1.00 0.00 C ATOM 288 OD1 ASN A 18 -6.486 10.314 2.030 1.00 0.00 O flip ATOM 289 ND2 ASN A 18 -8.441 10.175 3.127 1.00 0.00 N flip ATOM 0 H ASN A 18 -6.267 9.393 -0.355 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.888 8.015 -0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.858 8.005 1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.155 7.780 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.327 9.698 3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.208 11.016 3.654 1.00 0.00 H new ATOM 296 N ASP A 19 -10.214 10.176 0.272 1.00 0.00 N ATOM 297 CA ASP A 19 -11.001 11.401 0.193 1.00 0.00 C ATOM 298 C ASP A 19 -11.348 11.733 -1.254 1.00 0.00 C ATOM 299 O ASP A 19 -12.506 11.644 -1.662 1.00 0.00 O ATOM 300 CB ASP A 19 -10.236 12.564 0.826 1.00 0.00 C ATOM 301 CG ASP A 19 -11.152 13.689 1.266 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.807 13.544 2.319 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.216 14.714 0.554 1.00 0.00 O ATOM 0 H ASP A 19 -10.719 9.375 0.650 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.929 11.243 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.674 12.200 1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.510 12.950 0.110 1.00 0.00 H new ATOM 308 N ALA A 20 -10.336 12.116 -2.027 1.00 0.00 N ATOM 309 CA ALA A 20 -10.535 12.460 -3.430 1.00 0.00 C ATOM 310 C ALA A 20 -9.202 12.717 -4.125 1.00 0.00 C ATOM 311 O ALA A 20 -9.063 13.673 -4.887 1.00 0.00 O ATOM 312 CB ALA A 20 -11.439 13.678 -3.552 1.00 0.00 C ATOM 0 H ALA A 20 -9.371 12.196 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.015 11.614 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.579 13.923 -4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.406 13.460 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.981 14.524 -3.040 1.00 0.00 H new ATOM 318 N GLY A 21 -8.224 11.855 -3.858 1.00 0.00 N ATOM 319 CA GLY A 21 -6.916 12.007 -4.466 1.00 0.00 C ATOM 320 C GLY A 21 -5.850 12.396 -3.459 1.00 0.00 C ATOM 321 O GLY A 21 -4.755 12.818 -3.833 1.00 0.00 O ATOM 0 H GLY A 21 -8.315 11.055 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.632 11.072 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.968 12.765 -5.247 1.00 0.00 H new ATOM 325 N LYS A 22 -6.171 12.255 -2.178 1.00 0.00 N ATOM 326 CA LYS A 22 -5.234 12.596 -1.113 1.00 0.00 C ATOM 327 C LYS A 22 -4.328 11.412 -0.788 1.00 0.00 C ATOM 328 O LYS A 22 -4.788 10.383 -0.293 1.00 0.00 O ATOM 329 CB LYS A 22 -5.992 13.030 0.143 1.00 0.00 C ATOM 330 CG LYS A 22 -5.711 14.464 0.558 1.00 0.00 C ATOM 331 CD LYS A 22 -4.300 14.620 1.101 1.00 0.00 C ATOM 332 CE LYS A 22 -4.295 15.354 2.434 1.00 0.00 C ATOM 333 NZ LYS A 22 -2.916 15.719 2.859 1.00 0.00 N ATOM 0 H LYS A 22 -7.072 11.907 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.614 13.423 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.062 12.914 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.728 12.364 0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.848 15.125 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.430 14.772 1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.845 13.637 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.690 15.166 0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.902 16.256 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.756 14.726 3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.954 16.217 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.344 14.856 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.485 16.339 2.144 1.00 0.00 H new ATOM 347 N ASP A 23 -3.039 11.565 -1.068 1.00 0.00 N ATOM 348 CA ASP A 23 -2.067 10.511 -0.803 1.00 0.00 C ATOM 349 C ASP A 23 -2.175 10.023 0.639 1.00 0.00 C ATOM 350 O ASP A 23 -2.511 10.790 1.542 1.00 0.00 O ATOM 351 CB ASP A 23 -0.650 11.011 -1.080 1.00 0.00 C ATOM 352 CG ASP A 23 -0.424 12.422 -0.575 1.00 0.00 C ATOM 353 OD1 ASP A 23 -0.631 12.660 0.634 1.00 0.00 O ATOM 354 OD2 ASP A 23 -0.041 13.289 -1.387 1.00 0.00 O ATOM 0 H ASP A 23 -2.642 12.410 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.284 9.676 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.068 10.340 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.459 10.977 -2.153 1.00 0.00 H new ATOM 359 N THR A 24 -1.887 8.742 0.848 1.00 0.00 N ATOM 360 CA THR A 24 -1.953 8.151 2.179 1.00 0.00 C ATOM 361 C THR A 24 -0.944 7.019 2.330 1.00 0.00 C ATOM 362 O THR A 24 -0.804 6.177 1.442 1.00 0.00 O ATOM 363 CB THR A 24 -3.363 7.610 2.484 1.00 0.00 C ATOM 364 OG1 THR A 24 -4.348 8.593 2.148 1.00 0.00 O ATOM 365 CG2 THR A 24 -3.492 7.238 3.953 1.00 0.00 C ATOM 0 H THR A 24 -1.606 8.094 0.112 1.00 0.00 H new ATOM 0 HA THR A 24 -1.714 8.944 2.888 1.00 0.00 H new ATOM 0 HB THR A 24 -3.523 6.715 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.970 8.702 2.897 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.496 6.859 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.760 6.469 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.313 8.120 4.569 1.00 0.00 H new ATOM 373 N PHE A 25 -0.241 7.005 3.457 1.00 0.00 N ATOM 374 CA PHE A 25 0.757 5.976 3.723 1.00 0.00 C ATOM 375 C PHE A 25 0.580 5.394 5.123 1.00 0.00 C ATOM 376 O PHE A 25 0.372 6.128 6.089 1.00 0.00 O ATOM 377 CB PHE A 25 2.167 6.553 3.573 1.00 0.00 C ATOM 378 CG PHE A 25 2.359 7.351 2.316 1.00 0.00 C ATOM 379 CD1 PHE A 25 1.973 8.680 2.259 1.00 0.00 C ATOM 380 CD2 PHE A 25 2.924 6.773 1.191 1.00 0.00 C ATOM 381 CE1 PHE A 25 2.147 9.418 1.103 1.00 0.00 C ATOM 382 CE2 PHE A 25 3.101 7.505 0.033 1.00 0.00 C ATOM 383 CZ PHE A 25 2.712 8.830 -0.011 1.00 0.00 C ATOM 0 H PHE A 25 -0.344 7.695 4.201 1.00 0.00 H new ATOM 0 HA PHE A 25 0.619 5.175 2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.385 7.187 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.888 5.736 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.531 9.145 3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.230 5.738 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.841 10.453 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.543 7.042 -0.837 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.850 9.405 -0.915 1.00 0.00 H new ATOM 393 N ILE A 26 0.662 4.072 5.222 1.00 0.00 N ATOM 394 CA ILE A 26 0.510 3.392 6.502 1.00 0.00 C ATOM 395 C ILE A 26 1.240 2.053 6.503 1.00 0.00 C ATOM 396 O ILE A 26 0.755 1.068 7.060 1.00 0.00 O ATOM 397 CB ILE A 26 -0.974 3.154 6.840 1.00 0.00 C ATOM 398 CG1 ILE A 26 -1.121 2.701 8.295 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.575 2.125 5.896 1.00 0.00 C ATOM 400 CD1 ILE A 26 -2.044 3.579 9.111 1.00 0.00 C ATOM 0 H ILE A 26 0.833 3.450 4.431 1.00 0.00 H new ATOM 0 HA ILE A 26 0.947 4.043 7.259 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.515 4.092 6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.497 1.678 8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.137 2.687 8.764 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.624 1.968 6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.498 2.484 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.034 1.183 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.100 3.199 10.131 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.658 4.598 9.125 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.039 3.573 8.666 1.00 0.00 H new ATOM 412 N LYS A 27 2.412 2.024 5.876 1.00 0.00 N ATOM 413 CA LYS A 27 3.213 0.807 5.806 1.00 0.00 C ATOM 414 C LYS A 27 2.401 -0.347 5.226 1.00 0.00 C ATOM 415 O LYS A 27 1.226 -0.185 4.893 1.00 0.00 O ATOM 416 CB LYS A 27 3.731 0.433 7.196 1.00 0.00 C ATOM 417 CG LYS A 27 5.247 0.398 7.292 1.00 0.00 C ATOM 418 CD LYS A 27 5.802 1.702 7.836 1.00 0.00 C ATOM 419 CE LYS A 27 7.107 2.082 7.153 1.00 0.00 C ATOM 420 NZ LYS A 27 7.629 3.389 7.640 1.00 0.00 N ATOM 0 H LYS A 27 2.828 2.830 5.409 1.00 0.00 H new ATOM 0 HA LYS A 27 4.061 0.997 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.346 1.148 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.335 -0.545 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.552 -0.426 7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.670 0.205 6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.071 2.497 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.966 1.609 8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.850 1.305 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.951 2.132 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.519 3.612 7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.931 4.135 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.802 3.334 8.664 1.00 0.00 H new ATOM 434 N CYS A 28 3.033 -1.509 5.112 1.00 0.00 N ATOM 435 CA CYS A 28 2.368 -2.691 4.574 1.00 0.00 C ATOM 436 C CYS A 28 2.617 -3.906 5.461 1.00 0.00 C ATOM 437 O CYS A 28 3.690 -4.074 6.040 1.00 0.00 O ATOM 438 CB CYS A 28 2.857 -2.973 3.152 1.00 0.00 C ATOM 439 SG CYS A 28 1.745 -2.379 1.857 1.00 0.00 S ATOM 0 H CYS A 28 4.004 -1.659 5.385 1.00 0.00 H new ATOM 0 HA CYS A 28 1.296 -2.496 4.550 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.834 -2.510 3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.994 -4.048 3.033 1.00 0.00 H new ATOM 0 HG CYS A 28 1.997 -3.007 0.747 1.00 0.00 H new ATOM 445 N PRO A 29 1.601 -4.773 5.574 1.00 0.00 N ATOM 446 CA PRO A 29 1.684 -5.988 6.391 1.00 0.00 C ATOM 447 C PRO A 29 2.630 -7.024 5.795 1.00 0.00 C ATOM 448 O PRO A 29 2.196 -8.063 5.297 1.00 0.00 O ATOM 449 CB PRO A 29 0.246 -6.514 6.391 1.00 0.00 C ATOM 450 CG PRO A 29 -0.355 -5.975 5.139 1.00 0.00 C ATOM 451 CD PRO A 29 0.291 -4.636 4.913 1.00 0.00 C ATOM 0 HA PRO A 29 2.078 -5.784 7.387 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.223 -7.604 6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.300 -6.173 7.271 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.171 -6.644 4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.436 -5.875 5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.398 -4.416 3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.296 -3.828 5.349 1.00 0.00 H new ATOM 459 N LYS A 30 3.926 -6.734 5.849 1.00 0.00 N ATOM 460 CA LYS A 30 4.936 -7.641 5.316 1.00 0.00 C ATOM 461 C LYS A 30 6.146 -7.713 6.242 1.00 0.00 C ATOM 462 O LYS A 30 7.245 -7.296 5.876 1.00 0.00 O ATOM 463 CB LYS A 30 5.374 -7.187 3.921 1.00 0.00 C ATOM 464 CG LYS A 30 4.216 -6.820 3.010 1.00 0.00 C ATOM 465 CD LYS A 30 3.373 -8.035 2.660 1.00 0.00 C ATOM 466 CE LYS A 30 1.914 -7.660 2.449 1.00 0.00 C ATOM 467 NZ LYS A 30 0.994 -8.754 2.867 1.00 0.00 N ATOM 0 H LYS A 30 4.302 -5.878 6.257 1.00 0.00 H new ATOM 0 HA LYS A 30 4.495 -8.635 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.035 -6.326 4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.954 -7.983 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.592 -6.071 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.601 -6.368 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.764 -8.502 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.448 -8.773 3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.686 -6.757 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.747 -7.427 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.017 -8.502 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.260 -9.635 2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.061 -8.890 3.896 1.00 0.00 H new ATOM 481 N PHE A 31 5.936 -8.246 7.441 1.00 0.00 N ATOM 482 CA PHE A 31 7.011 -8.373 8.419 1.00 0.00 C ATOM 483 C PHE A 31 7.880 -9.589 8.117 1.00 0.00 C ATOM 484 O PHE A 31 7.653 -10.676 8.649 1.00 0.00 O ATOM 485 CB PHE A 31 6.432 -8.483 9.832 1.00 0.00 C ATOM 486 CG PHE A 31 6.128 -7.154 10.461 1.00 0.00 C ATOM 487 CD1 PHE A 31 4.956 -6.480 10.156 1.00 0.00 C ATOM 488 CD2 PHE A 31 7.014 -6.577 11.357 1.00 0.00 C ATOM 489 CE1 PHE A 31 4.675 -5.257 10.733 1.00 0.00 C ATOM 490 CE2 PHE A 31 6.737 -5.353 11.937 1.00 0.00 C ATOM 491 CZ PHE A 31 5.565 -4.693 11.625 1.00 0.00 C ATOM 0 H PHE A 31 5.032 -8.597 7.759 1.00 0.00 H new ATOM 0 HA PHE A 31 7.633 -7.480 8.357 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.518 -9.076 9.796 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.138 -9.022 10.464 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.255 -6.916 9.460 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.932 -7.090 11.605 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.759 -4.742 10.486 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.436 -4.914 12.633 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.345 -3.738 12.078 1.00 0.00 H new ATOM 501 N ASP A 32 8.876 -9.399 7.259 1.00 0.00 N ATOM 502 CA ASP A 32 9.781 -10.480 6.885 1.00 0.00 C ATOM 503 C ASP A 32 9.001 -11.711 6.436 1.00 0.00 C ATOM 504 O ASP A 32 8.725 -12.607 7.232 1.00 0.00 O ATOM 505 CB ASP A 32 10.693 -10.839 8.060 1.00 0.00 C ATOM 506 CG ASP A 32 11.886 -11.671 7.633 1.00 0.00 C ATOM 507 OD1 ASP A 32 11.724 -12.898 7.465 1.00 0.00 O ATOM 508 OD2 ASP A 32 12.982 -11.096 7.466 1.00 0.00 O ATOM 0 H ASP A 32 9.077 -8.506 6.809 1.00 0.00 H new ATOM 0 HA ASP A 32 10.393 -10.136 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.044 -9.924 8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.119 -11.388 8.807 1.00 0.00 H new ATOM 513 N ASN A 33 8.647 -11.746 5.155 1.00 0.00 N ATOM 514 CA ASN A 33 7.897 -12.867 4.600 1.00 0.00 C ATOM 515 C ASN A 33 7.637 -12.663 3.111 1.00 0.00 C ATOM 516 O ASN A 33 7.725 -13.602 2.319 1.00 0.00 O ATOM 517 CB ASN A 33 6.570 -13.037 5.342 1.00 0.00 C ATOM 518 CG ASN A 33 6.238 -14.492 5.607 1.00 0.00 C ATOM 519 OD1 ASN A 33 7.007 -15.209 6.248 1.00 0.00 O ATOM 520 ND2 ASN A 33 5.087 -14.935 5.115 1.00 0.00 N ATOM 0 H ASN A 33 8.867 -11.011 4.482 1.00 0.00 H new ATOM 0 HA ASN A 33 8.495 -13.770 4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.615 -12.499 6.289 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.769 -12.585 4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.809 -15.905 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.481 -14.305 4.590 1.00 0.00 H new ATOM 527 N LYS A 34 7.318 -11.429 2.734 1.00 0.00 N ATOM 528 CA LYS A 34 7.048 -11.100 1.340 1.00 0.00 C ATOM 529 C LYS A 34 6.830 -9.599 1.168 1.00 0.00 C ATOM 530 O LYS A 34 5.731 -9.155 0.837 1.00 0.00 O ATOM 531 CB LYS A 34 5.818 -11.864 0.844 1.00 0.00 C ATOM 532 CG LYS A 34 5.520 -11.645 -0.629 1.00 0.00 C ATOM 533 CD LYS A 34 4.024 -11.593 -0.894 1.00 0.00 C ATOM 534 CE LYS A 34 3.691 -12.057 -2.303 1.00 0.00 C ATOM 535 NZ LYS A 34 3.886 -13.524 -2.465 1.00 0.00 N ATOM 0 H LYS A 34 7.240 -10.640 3.376 1.00 0.00 H new ATOM 0 HA LYS A 34 7.915 -11.394 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.966 -12.929 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.951 -11.560 1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.982 -10.715 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.966 -12.448 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.503 -12.221 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.663 -10.575 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.657 -11.800 -2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.319 -11.526 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.361 -13.854 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.898 -13.728 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.535 -14.016 -1.619 1.00 0.00 H new ATOM 549 N LYS A 35 7.885 -8.824 1.393 1.00 0.00 N ATOM 550 CA LYS A 35 7.812 -7.374 1.260 1.00 0.00 C ATOM 551 C LYS A 35 7.885 -6.958 -0.205 1.00 0.00 C ATOM 552 O LYS A 35 8.035 -7.798 -1.092 1.00 0.00 O ATOM 553 CB LYS A 35 8.944 -6.711 2.048 1.00 0.00 C ATOM 554 CG LYS A 35 9.091 -7.240 3.463 1.00 0.00 C ATOM 555 CD LYS A 35 10.397 -7.998 3.643 1.00 0.00 C ATOM 556 CE LYS A 35 11.595 -7.062 3.598 1.00 0.00 C ATOM 557 NZ LYS A 35 12.879 -7.797 3.766 1.00 0.00 N ATOM 0 H LYS A 35 8.802 -9.176 1.669 1.00 0.00 H new ATOM 0 HA LYS A 35 6.855 -7.044 1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.883 -6.860 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.767 -5.636 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.051 -6.410 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.253 -7.897 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.383 -8.528 4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.493 -8.751 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.604 -6.528 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.500 -6.312 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.671 -7.124 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.882 -8.286 4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.982 -8.495 3.002 1.00 0.00 H new ATOM 571 N CYS A 36 7.780 -5.656 -0.451 1.00 0.00 N ATOM 572 CA CYS A 36 7.835 -5.128 -1.810 1.00 0.00 C ATOM 573 C CYS A 36 9.062 -5.654 -2.548 1.00 0.00 C ATOM 574 O CYS A 36 10.061 -6.024 -1.931 1.00 0.00 O ATOM 575 CB CYS A 36 7.856 -3.599 -1.785 1.00 0.00 C ATOM 576 SG CYS A 36 9.223 -2.895 -0.834 1.00 0.00 S ATOM 0 H CYS A 36 7.656 -4.947 0.272 1.00 0.00 H new ATOM 0 HA CYS A 36 6.943 -5.463 -2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.912 -3.230 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.915 -3.240 -1.368 1.00 0.00 H new ATOM 0 HG CYS A 36 9.381 -1.647 -1.161 1.00 0.00 H new ATOM 582 N THR A 37 8.981 -5.684 -3.874 1.00 0.00 N ATOM 583 CA THR A 37 10.083 -6.167 -4.697 1.00 0.00 C ATOM 584 C THR A 37 9.961 -5.662 -6.130 1.00 0.00 C ATOM 585 O THR A 37 10.239 -6.392 -7.082 1.00 0.00 O ATOM 586 CB THR A 37 10.142 -7.706 -4.710 1.00 0.00 C ATOM 587 OG1 THR A 37 11.305 -8.146 -5.422 1.00 0.00 O ATOM 588 CG2 THR A 37 8.895 -8.291 -5.357 1.00 0.00 C ATOM 0 H THR A 37 8.163 -5.379 -4.402 1.00 0.00 H new ATOM 0 HA THR A 37 11.001 -5.780 -4.255 1.00 0.00 H new ATOM 0 HB THR A 37 10.194 -8.054 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.347 -7.694 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.960 -9.379 -5.354 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.014 -7.979 -4.797 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.817 -7.935 -6.384 1.00 0.00 H new ATOM 596 N LYS A 38 9.546 -4.409 -6.278 1.00 0.00 N ATOM 597 CA LYS A 38 9.389 -3.805 -7.595 1.00 0.00 C ATOM 598 C LYS A 38 8.908 -2.362 -7.478 1.00 0.00 C ATOM 599 O LYS A 38 8.217 -2.004 -6.524 1.00 0.00 O ATOM 600 CB LYS A 38 8.403 -4.616 -8.438 1.00 0.00 C ATOM 601 CG LYS A 38 8.940 -4.995 -9.807 1.00 0.00 C ATOM 602 CD LYS A 38 8.473 -4.023 -10.877 1.00 0.00 C ATOM 603 CE LYS A 38 9.122 -4.320 -12.221 1.00 0.00 C ATOM 604 NZ LYS A 38 8.631 -3.404 -13.288 1.00 0.00 N ATOM 0 H LYS A 38 9.312 -3.791 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 38 10.362 -3.807 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.137 -5.524 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.486 -4.040 -8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.030 -5.012 -9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.612 -6.003 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.389 -4.081 -10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.712 -3.004 -10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.204 -4.225 -12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.915 -5.352 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.097 -3.638 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.602 -3.512 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.851 -2.421 -13.030 1.00 0.00 H new ATOM 618 N ASP A 39 9.274 -1.539 -8.455 1.00 0.00 N ATOM 619 CA ASP A 39 8.876 -0.137 -8.463 1.00 0.00 C ATOM 620 C ASP A 39 7.412 0.012 -8.861 1.00 0.00 C ATOM 621 O ASP A 39 7.057 -0.141 -10.029 1.00 0.00 O ATOM 622 CB ASP A 39 9.761 0.661 -9.422 1.00 0.00 C ATOM 623 CG ASP A 39 11.176 0.122 -9.488 1.00 0.00 C ATOM 624 OD1 ASP A 39 11.396 -0.879 -10.200 1.00 0.00 O ATOM 625 OD2 ASP A 39 12.064 0.701 -8.827 1.00 0.00 O ATOM 0 H ASP A 39 9.846 -1.819 -9.252 1.00 0.00 H new ATOM 0 HA ASP A 39 9.000 0.255 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.321 0.641 -10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.787 1.704 -9.105 1.00 0.00 H new ATOM 630 N ASN A 40 6.564 0.308 -7.880 1.00 0.00 N ATOM 631 CA ASN A 40 5.136 0.474 -8.128 1.00 0.00 C ATOM 632 C ASN A 40 4.492 -0.855 -8.510 1.00 0.00 C ATOM 633 O ASN A 40 3.674 -0.918 -9.426 1.00 0.00 O ATOM 634 CB ASN A 40 4.907 1.503 -9.237 1.00 0.00 C ATOM 635 CG ASN A 40 5.945 2.608 -9.225 1.00 0.00 C ATOM 636 OD1 ASN A 40 6.573 2.896 -10.244 1.00 0.00 O ATOM 637 ND2 ASN A 40 6.131 3.232 -8.068 1.00 0.00 N ATOM 0 H ASN A 40 6.841 0.438 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 40 4.671 0.831 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.926 1.001 -10.204 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.915 1.939 -9.124 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.817 3.984 -7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.588 2.960 -7.249 1.00 0.00 H new ATOM 644 N ASN A 41 4.868 -1.913 -7.801 1.00 0.00 N ATOM 645 CA ASN A 41 4.327 -3.242 -8.066 1.00 0.00 C ATOM 646 C ASN A 41 2.802 -3.228 -8.016 1.00 0.00 C ATOM 647 O ASN A 41 2.136 -3.267 -9.050 1.00 0.00 O ATOM 648 CB ASN A 41 4.872 -4.249 -7.052 1.00 0.00 C ATOM 649 CG ASN A 41 5.090 -3.632 -5.683 1.00 0.00 C ATOM 650 OD1 ASN A 41 4.424 -2.665 -5.314 1.00 0.00 O ATOM 651 ND2 ASN A 41 6.025 -4.190 -4.924 1.00 0.00 N ATOM 0 H ASN A 41 5.545 -1.877 -7.039 1.00 0.00 H new ATOM 0 HA ASN A 41 4.638 -3.540 -9.067 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.177 -5.084 -6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.815 -4.655 -7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.216 -3.818 -3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.553 -4.991 -5.271 1.00 0.00 H new ATOM 658 N LYS A 42 2.256 -3.172 -6.806 1.00 0.00 N ATOM 659 CA LYS A 42 0.810 -3.150 -6.618 1.00 0.00 C ATOM 660 C LYS A 42 0.454 -3.132 -5.135 1.00 0.00 C ATOM 661 O LYS A 42 1.160 -3.712 -4.310 1.00 0.00 O ATOM 662 CB LYS A 42 0.170 -4.366 -7.292 1.00 0.00 C ATOM 663 CG LYS A 42 -1.274 -4.599 -6.881 1.00 0.00 C ATOM 664 CD LYS A 42 -2.015 -5.445 -7.903 1.00 0.00 C ATOM 665 CE LYS A 42 -2.336 -6.828 -7.355 1.00 0.00 C ATOM 666 NZ LYS A 42 -3.532 -7.421 -8.015 1.00 0.00 N ATOM 0 H LYS A 42 2.794 -3.141 -5.940 1.00 0.00 H new ATOM 0 HA LYS A 42 0.422 -2.241 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.215 -4.237 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.755 -5.254 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.302 -5.093 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.780 -3.640 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.939 -4.943 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.410 -5.541 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.478 -7.484 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.509 -6.762 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.718 -8.363 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.357 -6.808 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.358 -7.508 -9.037 1.00 0.00 H new ATOM 680 N CYS A 43 -0.646 -2.463 -4.804 1.00 0.00 N ATOM 681 CA CYS A 43 -1.095 -2.370 -3.420 1.00 0.00 C ATOM 682 C CYS A 43 -2.613 -2.233 -3.350 1.00 0.00 C ATOM 683 O CYS A 43 -3.288 -2.152 -4.376 1.00 0.00 O ATOM 684 CB CYS A 43 -0.432 -1.181 -2.725 1.00 0.00 C ATOM 685 SG CYS A 43 -1.256 0.401 -3.020 1.00 0.00 S ATOM 0 H CYS A 43 -1.242 -1.978 -5.475 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.806 -3.288 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.406 -1.370 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.602 -1.108 -3.061 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.622 1.345 -2.389 1.00 0.00 H new ATOM 691 N THR A 44 -3.145 -2.211 -2.132 1.00 0.00 N ATOM 692 CA THR A 44 -4.582 -2.087 -1.927 1.00 0.00 C ATOM 693 C THR A 44 -4.904 -1.748 -0.476 1.00 0.00 C ATOM 694 O THR A 44 -4.233 -2.215 0.445 1.00 0.00 O ATOM 695 CB THR A 44 -5.318 -3.383 -2.315 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.372 -4.389 -2.694 1.00 0.00 O ATOM 697 CG2 THR A 44 -6.288 -3.134 -3.460 1.00 0.00 C ATOM 0 H THR A 44 -2.601 -2.278 -1.272 1.00 0.00 H new ATOM 0 HA THR A 44 -4.924 -1.276 -2.571 1.00 0.00 H new ATOM 0 HB THR A 44 -5.885 -3.725 -1.449 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.848 -5.210 -2.938 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.795 -4.064 -3.716 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.025 -2.390 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.740 -2.769 -4.329 1.00 0.00 H new ATOM 705 N VAL A 45 -5.935 -0.933 -0.278 1.00 0.00 N ATOM 706 CA VAL A 45 -6.347 -0.532 1.061 1.00 0.00 C ATOM 707 C VAL A 45 -7.865 -0.553 1.199 1.00 0.00 C ATOM 708 O VAL A 45 -8.587 -0.162 0.281 1.00 0.00 O ATOM 709 CB VAL A 45 -5.830 0.877 1.411 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.434 1.358 2.720 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.310 0.883 1.480 1.00 0.00 C ATOM 0 H VAL A 45 -6.501 -0.537 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.912 -1.252 1.754 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.138 1.565 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.057 2.354 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.520 1.393 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.159 0.672 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.961 1.885 1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.978 0.183 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.901 0.585 0.515 1.00 0.00 H new ATOM 721 N ASP A 46 -8.343 -1.010 2.351 1.00 0.00 N ATOM 722 CA ASP A 46 -9.776 -1.080 2.610 1.00 0.00 C ATOM 723 C ASP A 46 -10.149 -0.251 3.835 1.00 0.00 C ATOM 724 O ASP A 46 -10.051 -0.721 4.970 1.00 0.00 O ATOM 725 CB ASP A 46 -10.209 -2.533 2.811 1.00 0.00 C ATOM 726 CG ASP A 46 -11.683 -2.743 2.524 1.00 0.00 C ATOM 727 OD1 ASP A 46 -12.296 -1.859 1.892 1.00 0.00 O ATOM 728 OD2 ASP A 46 -12.225 -3.792 2.933 1.00 0.00 O ATOM 0 H ASP A 46 -7.759 -1.338 3.120 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.297 -0.670 1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.620 -3.178 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.995 -2.834 3.836 1.00 0.00 H new ATOM 733 N THR A 47 -10.574 0.986 3.600 1.00 0.00 N ATOM 734 CA THR A 47 -10.959 1.881 4.684 1.00 0.00 C ATOM 735 C THR A 47 -12.130 1.313 5.478 1.00 0.00 C ATOM 736 O THR A 47 -12.408 1.754 6.593 1.00 0.00 O ATOM 737 CB THR A 47 -11.342 3.275 4.151 1.00 0.00 C ATOM 738 OG1 THR A 47 -11.997 4.028 5.179 1.00 0.00 O ATOM 739 CG2 THR A 47 -12.255 3.160 2.940 1.00 0.00 C ATOM 0 H THR A 47 -10.660 1.391 2.668 1.00 0.00 H new ATOM 0 HA THR A 47 -10.093 1.975 5.339 1.00 0.00 H new ATOM 0 HB THR A 47 -10.429 3.788 3.849 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.236 4.913 4.834 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.512 4.157 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.743 2.611 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.165 2.630 3.220 1.00 0.00 H new ATOM 747 N TYR A 48 -12.811 0.332 4.897 1.00 0.00 N ATOM 748 CA TYR A 48 -13.953 -0.296 5.550 1.00 0.00 C ATOM 749 C TYR A 48 -13.594 -0.746 6.962 1.00 0.00 C ATOM 750 O TYR A 48 -14.384 -0.598 7.893 1.00 0.00 O ATOM 751 CB TYR A 48 -14.443 -1.490 4.730 1.00 0.00 C ATOM 752 CG TYR A 48 -15.586 -2.241 5.376 1.00 0.00 C ATOM 753 CD1 TYR A 48 -16.890 -1.769 5.287 1.00 0.00 C ATOM 754 CD2 TYR A 48 -15.362 -3.421 6.075 1.00 0.00 C ATOM 755 CE1 TYR A 48 -17.937 -2.451 5.875 1.00 0.00 C ATOM 756 CE2 TYR A 48 -16.403 -4.109 6.666 1.00 0.00 C ATOM 757 CZ TYR A 48 -17.689 -3.621 6.564 1.00 0.00 C ATOM 758 OH TYR A 48 -18.730 -4.303 7.151 1.00 0.00 O ATOM 0 H TYR A 48 -12.592 -0.046 3.975 1.00 0.00 H new ATOM 0 HA TYR A 48 -14.752 0.442 5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.759 -1.140 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.612 -2.177 4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -17.088 -0.854 4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -14.356 -3.806 6.157 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -18.945 -2.071 5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.211 -5.025 7.205 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.386 -5.106 7.595 1.00 0.00 H new ATOM 768 N ASN A 49 -12.394 -1.297 7.112 1.00 0.00 N ATOM 769 CA ASN A 49 -11.927 -1.771 8.411 1.00 0.00 C ATOM 770 C ASN A 49 -10.419 -1.586 8.547 1.00 0.00 C ATOM 771 O ASN A 49 -9.731 -2.425 9.127 1.00 0.00 O ATOM 772 CB ASN A 49 -12.291 -3.245 8.601 1.00 0.00 C ATOM 773 CG ASN A 49 -12.413 -3.626 10.064 1.00 0.00 C ATOM 774 OD1 ASN A 49 -13.114 -2.969 10.832 1.00 0.00 O ATOM 775 ND2 ASN A 49 -11.726 -4.694 10.455 1.00 0.00 N ATOM 0 H ASN A 49 -11.727 -1.427 6.351 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.419 -1.180 9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.234 -3.452 8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.532 -3.868 8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.767 -4.999 11.427 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.157 -5.209 9.783 1.00 0.00 H new ATOM 782 N ASN A 50 -9.912 -0.482 8.008 1.00 0.00 N ATOM 783 CA ASN A 50 -8.486 -0.188 8.070 1.00 0.00 C ATOM 784 C ASN A 50 -7.660 -1.402 7.654 1.00 0.00 C ATOM 785 O ASN A 50 -6.863 -1.919 8.435 1.00 0.00 O ATOM 786 CB ASN A 50 -8.094 0.250 9.483 1.00 0.00 C ATOM 787 CG ASN A 50 -6.912 1.199 9.488 1.00 0.00 C ATOM 788 OD1 ASN A 50 -5.937 0.991 10.210 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.995 2.250 8.680 1.00 0.00 N ATOM 0 H ASN A 50 -10.468 0.223 7.524 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.279 0.625 7.374 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.946 0.734 9.960 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.852 -0.630 10.079 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.231 2.925 8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.823 2.382 8.099 1.00 0.00 H new ATOM 796 N ALA A 51 -7.859 -1.849 6.418 1.00 0.00 N ATOM 797 CA ALA A 51 -7.132 -3.000 5.898 1.00 0.00 C ATOM 798 C ALA A 51 -5.975 -2.561 5.006 1.00 0.00 C ATOM 799 O ALA A 51 -5.969 -1.446 4.482 1.00 0.00 O ATOM 800 CB ALA A 51 -8.074 -3.915 5.130 1.00 0.00 C ATOM 0 H ALA A 51 -8.517 -1.432 5.759 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.717 -3.549 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.518 -4.771 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.865 -4.264 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.515 -3.367 4.298 1.00 0.00 H new ATOM 806 N VAL A 52 -4.994 -3.444 4.839 1.00 0.00 N ATOM 807 CA VAL A 52 -3.832 -3.146 4.011 1.00 0.00 C ATOM 808 C VAL A 52 -3.331 -4.398 3.299 1.00 0.00 C ATOM 809 O VAL A 52 -3.222 -5.467 3.900 1.00 0.00 O ATOM 810 CB VAL A 52 -2.684 -2.552 4.848 1.00 0.00 C ATOM 811 CG1 VAL A 52 -1.551 -2.085 3.946 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.193 -1.409 5.714 1.00 0.00 C ATOM 0 H VAL A 52 -4.982 -4.370 5.266 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.150 -2.412 3.271 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.296 -3.330 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.749 -1.668 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.170 -2.930 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.921 -1.321 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.369 -1.001 6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.608 -0.628 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.967 -1.779 6.387 1.00 0.00 H new ATOM 822 N ASP A 53 -3.026 -4.258 2.013 1.00 0.00 N ATOM 823 CA ASP A 53 -2.535 -5.377 1.216 1.00 0.00 C ATOM 824 C ASP A 53 -1.314 -4.967 0.400 1.00 0.00 C ATOM 825 O ASP A 53 -0.823 -3.844 0.519 1.00 0.00 O ATOM 826 CB ASP A 53 -3.636 -5.892 0.289 1.00 0.00 C ATOM 827 CG ASP A 53 -4.110 -7.281 0.667 1.00 0.00 C ATOM 828 OD1 ASP A 53 -3.261 -8.193 0.761 1.00 0.00 O ATOM 829 OD2 ASP A 53 -5.330 -7.457 0.872 1.00 0.00 O ATOM 0 H ASP A 53 -3.110 -3.380 1.500 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.242 -6.176 1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.481 -5.204 0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.267 -5.904 -0.737 1.00 0.00 H new ATOM 834 N CYS A 54 -0.827 -5.886 -0.428 1.00 0.00 N ATOM 835 CA CYS A 54 0.338 -5.621 -1.263 1.00 0.00 C ATOM 836 C CYS A 54 0.466 -6.669 -2.365 1.00 0.00 C ATOM 837 O CYS A 54 -0.194 -7.707 -2.328 1.00 0.00 O ATOM 838 CB CYS A 54 1.608 -5.601 -0.411 1.00 0.00 C ATOM 839 SG CYS A 54 2.888 -4.478 -1.021 1.00 0.00 S ATOM 0 H CYS A 54 -1.221 -6.820 -0.538 1.00 0.00 H new ATOM 0 HA CYS A 54 0.207 -4.644 -1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.345 -5.316 0.608 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.017 -6.610 -0.364 1.00 0.00 H new ATOM 0 HG CYS A 54 2.398 -3.279 -1.129 1.00 0.00 H new ATOM 845 N ASP A 55 1.320 -6.388 -3.344 1.00 0.00 N ATOM 846 CA ASP A 55 1.534 -7.306 -4.456 1.00 0.00 C ATOM 847 C ASP A 55 2.162 -8.609 -3.972 1.00 0.00 C ATOM 848 O ASP A 55 2.966 -9.222 -4.677 1.00 0.00 O ATOM 849 CB ASP A 55 2.428 -6.657 -5.515 1.00 0.00 C ATOM 850 CG ASP A 55 2.222 -7.256 -6.893 1.00 0.00 C ATOM 851 OD1 ASP A 55 1.503 -8.271 -6.996 1.00 0.00 O ATOM 852 OD2 ASP A 55 2.779 -6.709 -7.867 1.00 0.00 O ATOM 0 H ASP A 55 1.874 -5.533 -3.390 1.00 0.00 H new ATOM 0 HA ASP A 55 0.565 -7.534 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.223 -5.587 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.472 -6.772 -5.225 1.00 0.00 H new