USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 586 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 30 ASN :FLIP amide:sc= 0.477 F(o=-7.6,f=1.1) USER MOD Set 1.2: A 32 THR OG1 : rot 43:sc= 0.672 USER MOD Set 2.1: A 3 SER OG : rot -65:sc= 0.565 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0.518 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.496 K(o=-0.5,f=-4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 68:sc= 0.462 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0394 K(o=-0.039,f=-1.1) USER MOD Single : A 17 ASN : amide:sc= -0.695 X(o=-0.69,f=-0.88) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= -1.3 (180deg=-1.72) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 15:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc=0.000481 USER MOD Single : A 50 MET CE :methyl 173:sc= -4.47 (180deg=-4.89) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 156:sc= -0.42 (180deg=-1.38) USER MOD Single : A 61 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.00065) USER MOD Single : A 62 GLN : amide:sc= -0.0707 X(o=-0.071,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 76 SER OG : rot -110:sc= 0.244 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.121 -28.967 -3.773 1.00 0.00 N ATOM 2 CA GLY A 1 16.147 -27.938 -4.089 1.00 0.00 C ATOM 3 C GLY A 1 15.797 -27.084 -2.887 1.00 0.00 C ATOM 4 O GLY A 1 14.895 -27.420 -2.119 1.00 0.00 O ATOM 0 H1 GLY A 1 17.327 -29.524 -4.627 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.996 -28.523 -3.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.738 -29.593 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.540 -27.301 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.241 -28.405 -4.475 1.00 0.00 H new ATOM 8 N SER A 2 16.512 -25.976 -2.721 1.00 0.00 N ATOM 9 CA SER A 2 16.275 -25.073 -1.600 1.00 0.00 C ATOM 10 C SER A 2 15.045 -24.207 -1.851 1.00 0.00 C ATOM 11 O SER A 2 14.740 -23.858 -2.992 1.00 0.00 O ATOM 12 CB SER A 2 17.499 -24.186 -1.366 1.00 0.00 C ATOM 13 OG SER A 2 17.365 -23.438 -0.169 1.00 0.00 O ATOM 0 H SER A 2 17.260 -25.682 -3.348 1.00 0.00 H new ATOM 0 HA SER A 2 16.097 -25.676 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.395 -24.804 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.628 -23.508 -2.210 1.00 0.00 H new ATOM 0 HG SER A 2 18.161 -22.880 -0.041 1.00 0.00 H new ATOM 19 N SER A 3 14.342 -23.864 -0.777 1.00 0.00 N ATOM 20 CA SER A 3 13.142 -23.041 -0.879 1.00 0.00 C ATOM 21 C SER A 3 13.478 -21.655 -1.420 1.00 0.00 C ATOM 22 O SER A 3 12.918 -21.215 -2.423 1.00 0.00 O ATOM 23 CB SER A 3 12.465 -22.918 0.487 1.00 0.00 C ATOM 24 OG SER A 3 11.146 -22.416 0.359 1.00 0.00 O ATOM 0 H SER A 3 14.582 -24.143 0.174 1.00 0.00 H new ATOM 0 HA SER A 3 12.456 -23.526 -1.574 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.441 -23.893 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.049 -22.257 1.127 1.00 0.00 H new ATOM 0 HG SER A 3 11.177 -21.496 0.022 1.00 0.00 H new ATOM 30 N GLY A 4 14.397 -20.970 -0.746 1.00 0.00 N ATOM 31 CA GLY A 4 14.793 -19.641 -1.173 1.00 0.00 C ATOM 32 C GLY A 4 13.606 -18.775 -1.546 1.00 0.00 C ATOM 33 O GLY A 4 13.584 -18.169 -2.617 1.00 0.00 O ATOM 0 H GLY A 4 14.874 -21.312 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.354 -19.158 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.463 -19.722 -2.029 1.00 0.00 H new ATOM 37 N SER A 5 12.616 -18.717 -0.661 1.00 0.00 N ATOM 38 CA SER A 5 11.418 -17.923 -0.905 1.00 0.00 C ATOM 39 C SER A 5 11.008 -17.158 0.350 1.00 0.00 C ATOM 40 O SER A 5 11.499 -17.431 1.445 1.00 0.00 O ATOM 41 CB SER A 5 10.270 -18.822 -1.366 1.00 0.00 C ATOM 42 OG SER A 5 10.085 -19.910 -0.477 1.00 0.00 O ATOM 0 H SER A 5 12.620 -19.211 0.232 1.00 0.00 H new ATOM 0 HA SER A 5 11.644 -17.202 -1.691 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.351 -18.240 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.478 -19.198 -2.368 1.00 0.00 H new ATOM 0 HG SER A 5 9.344 -20.469 -0.793 1.00 0.00 H new ATOM 48 N SER A 6 10.103 -16.199 0.182 1.00 0.00 N ATOM 49 CA SER A 6 9.629 -15.391 1.299 1.00 0.00 C ATOM 50 C SER A 6 8.609 -16.162 2.132 1.00 0.00 C ATOM 51 O SER A 6 8.718 -16.236 3.355 1.00 0.00 O ATOM 52 CB SER A 6 9.008 -14.090 0.788 1.00 0.00 C ATOM 53 OG SER A 6 9.997 -13.095 0.592 1.00 0.00 O ATOM 0 H SER A 6 9.683 -15.963 -0.717 1.00 0.00 H new ATOM 0 HA SER A 6 10.484 -15.153 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.485 -14.277 -0.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.265 -13.733 1.502 1.00 0.00 H new ATOM 0 HG SER A 6 9.574 -12.274 0.264 1.00 0.00 H new ATOM 59 N GLY A 7 7.616 -16.735 1.458 1.00 0.00 N ATOM 60 CA GLY A 7 6.590 -17.492 2.151 1.00 0.00 C ATOM 61 C GLY A 7 5.773 -18.356 1.211 1.00 0.00 C ATOM 62 O GLY A 7 6.213 -18.671 0.104 1.00 0.00 O ATOM 0 H GLY A 7 7.504 -16.688 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.057 -18.124 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.927 -16.804 2.676 1.00 0.00 H new ATOM 66 N LEU A 8 4.580 -18.742 1.651 1.00 0.00 N ATOM 67 CA LEU A 8 3.699 -19.576 0.841 1.00 0.00 C ATOM 68 C LEU A 8 2.298 -18.978 0.768 1.00 0.00 C ATOM 69 O LEU A 8 1.815 -18.384 1.731 1.00 0.00 O ATOM 70 CB LEU A 8 3.632 -20.992 1.418 1.00 0.00 C ATOM 71 CG LEU A 8 4.971 -21.710 1.589 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.866 -22.787 2.658 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.426 -22.312 0.267 1.00 0.00 C ATOM 0 H LEU A 8 4.201 -18.491 2.564 1.00 0.00 H new ATOM 0 HA LEU A 8 4.108 -19.620 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.141 -20.944 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.998 -21.597 0.770 1.00 0.00 H new ATOM 0 HG LEU A 8 5.715 -20.980 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.828 -23.287 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.585 -22.331 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.109 -23.515 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.381 -22.819 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.682 -23.029 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.541 -21.520 -0.473 1.00 0.00 H new ATOM 85 N ASN A 9 1.650 -19.142 -0.381 1.00 0.00 N ATOM 86 CA ASN A 9 0.302 -18.619 -0.579 1.00 0.00 C ATOM 87 C ASN A 9 -0.722 -19.452 0.186 1.00 0.00 C ATOM 88 O ASN A 9 -1.312 -20.384 -0.360 1.00 0.00 O ATOM 89 CB ASN A 9 -0.047 -18.603 -2.069 1.00 0.00 C ATOM 90 CG ASN A 9 0.943 -17.795 -2.886 1.00 0.00 C ATOM 91 OD1 ASN A 9 2.058 -17.524 -2.440 1.00 0.00 O ATOM 92 ND2 ASN A 9 0.538 -17.405 -4.089 1.00 0.00 N ATOM 0 H ASN A 9 2.036 -19.632 -1.188 1.00 0.00 H new ATOM 0 HA ASN A 9 0.274 -17.599 -0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.074 -19.626 -2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.047 -18.189 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.160 -16.858 -4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.395 -17.653 -4.418 1.00 0.00 H new ATOM 99 N ASP A 10 -0.929 -19.108 1.452 1.00 0.00 N ATOM 100 CA ASP A 10 -1.883 -19.822 2.292 1.00 0.00 C ATOM 101 C ASP A 10 -2.053 -19.122 3.637 1.00 0.00 C ATOM 102 O ASP A 10 -1.105 -19.012 4.416 1.00 0.00 O ATOM 103 CB ASP A 10 -1.425 -21.265 2.509 1.00 0.00 C ATOM 104 CG ASP A 10 -0.263 -21.365 3.478 1.00 0.00 C ATOM 105 OD1 ASP A 10 0.662 -20.531 3.383 1.00 0.00 O ATOM 106 OD2 ASP A 10 -0.280 -22.276 4.331 1.00 0.00 O ATOM 0 H ASP A 10 -0.449 -18.339 1.919 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.846 -19.828 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.260 -21.855 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.134 -21.699 1.552 1.00 0.00 H new ATOM 111 N LEU A 11 -3.266 -18.649 3.903 1.00 0.00 N ATOM 112 CA LEU A 11 -3.560 -17.959 5.154 1.00 0.00 C ATOM 113 C LEU A 11 -3.823 -18.956 6.278 1.00 0.00 C ATOM 114 O LEU A 11 -4.384 -20.028 6.053 1.00 0.00 O ATOM 115 CB LEU A 11 -4.770 -17.039 4.979 1.00 0.00 C ATOM 116 CG LEU A 11 -4.515 -15.730 4.232 1.00 0.00 C ATOM 117 CD1 LEU A 11 -5.823 -15.141 3.726 1.00 0.00 C ATOM 118 CD2 LEU A 11 -3.792 -14.735 5.129 1.00 0.00 C ATOM 0 H LEU A 11 -4.061 -18.731 3.269 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.690 -17.359 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.547 -17.591 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.165 -16.800 5.966 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.879 -15.943 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.622 -14.210 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.302 -15.847 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.484 -14.943 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.619 -13.809 4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.402 -14.527 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.836 -15.155 5.442 1.00 0.00 H new ATOM 130 N LYS A 12 -3.416 -18.594 7.490 1.00 0.00 N ATOM 131 CA LYS A 12 -3.610 -19.455 8.651 1.00 0.00 C ATOM 132 C LYS A 12 -4.449 -18.753 9.714 1.00 0.00 C ATOM 133 O LYS A 12 -5.395 -19.328 10.249 1.00 0.00 O ATOM 134 CB LYS A 12 -2.258 -19.863 9.241 1.00 0.00 C ATOM 135 CG LYS A 12 -1.401 -18.685 9.670 1.00 0.00 C ATOM 136 CD LYS A 12 0.064 -19.074 9.787 1.00 0.00 C ATOM 137 CE LYS A 12 0.931 -17.878 10.150 1.00 0.00 C ATOM 138 NZ LYS A 12 2.380 -18.169 9.969 1.00 0.00 N ATOM 0 H LYS A 12 -2.950 -17.710 7.694 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.142 -20.349 8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.427 -20.511 10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.711 -20.450 8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.507 -17.875 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.755 -18.306 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.176 -19.849 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.405 -19.499 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.652 -17.025 9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.744 -17.595 11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.937 -17.330 10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.653 -18.966 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.563 -18.415 8.975 1.00 0.00 H new ATOM 152 N GLU A 13 -4.095 -17.507 10.013 1.00 0.00 N ATOM 153 CA GLU A 13 -4.817 -16.727 11.012 1.00 0.00 C ATOM 154 C GLU A 13 -6.227 -16.398 10.530 1.00 0.00 C ATOM 155 O GLU A 13 -6.459 -16.216 9.335 1.00 0.00 O ATOM 156 CB GLU A 13 -4.060 -15.436 11.329 1.00 0.00 C ATOM 157 CG GLU A 13 -2.770 -15.660 12.099 1.00 0.00 C ATOM 158 CD GLU A 13 -1.880 -14.433 12.117 1.00 0.00 C ATOM 159 OE1 GLU A 13 -2.296 -13.407 12.696 1.00 0.00 O ATOM 160 OE2 GLU A 13 -0.768 -14.497 11.553 1.00 0.00 O ATOM 0 H GLU A 13 -3.314 -17.016 9.578 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.892 -17.327 11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.832 -14.920 10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.708 -14.777 11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.008 -15.946 13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.225 -16.493 11.654 1.00 0.00 H new ATOM 167 N SER A 14 -7.165 -16.323 11.469 1.00 0.00 N ATOM 168 CA SER A 14 -8.553 -16.020 11.141 1.00 0.00 C ATOM 169 C SER A 14 -8.784 -14.512 11.097 1.00 0.00 C ATOM 170 O SER A 14 -9.758 -14.006 11.653 1.00 0.00 O ATOM 171 CB SER A 14 -9.492 -16.662 12.164 1.00 0.00 C ATOM 172 OG SER A 14 -9.412 -16.001 13.415 1.00 0.00 O ATOM 0 H SER A 14 -6.989 -16.468 12.463 1.00 0.00 H new ATOM 0 HA SER A 14 -8.766 -16.431 10.154 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.517 -16.625 11.795 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.235 -17.714 12.288 1.00 0.00 H new ATOM 0 HG SER A 14 -9.779 -15.096 13.331 1.00 0.00 H new ATOM 178 N SER A 15 -7.880 -13.801 10.431 1.00 0.00 N ATOM 179 CA SER A 15 -7.982 -12.351 10.316 1.00 0.00 C ATOM 180 C SER A 15 -8.048 -11.925 8.853 1.00 0.00 C ATOM 181 O SER A 15 -7.133 -12.192 8.075 1.00 0.00 O ATOM 182 CB SER A 15 -6.790 -11.679 11.002 1.00 0.00 C ATOM 183 OG SER A 15 -6.735 -12.018 12.376 1.00 0.00 O ATOM 0 H SER A 15 -7.069 -14.205 9.963 1.00 0.00 H new ATOM 0 HA SER A 15 -8.901 -12.036 10.809 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.865 -11.983 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.867 -10.597 10.894 1.00 0.00 H new ATOM 0 HG SER A 15 -5.964 -11.578 12.791 1.00 0.00 H new ATOM 189 N ASN A 16 -9.139 -11.260 8.486 1.00 0.00 N ATOM 190 CA ASN A 16 -9.326 -10.796 7.115 1.00 0.00 C ATOM 191 C ASN A 16 -8.835 -9.361 6.955 1.00 0.00 C ATOM 192 O ASN A 16 -9.042 -8.521 7.830 1.00 0.00 O ATOM 193 CB ASN A 16 -10.801 -10.889 6.721 1.00 0.00 C ATOM 194 CG ASN A 16 -11.052 -10.413 5.303 1.00 0.00 C ATOM 195 OD1 ASN A 16 -10.211 -10.585 4.421 1.00 0.00 O ATOM 196 ND2 ASN A 16 -12.213 -9.809 5.079 1.00 0.00 N ATOM 0 H ASN A 16 -9.906 -11.030 9.118 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.739 -11.437 6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.136 -11.922 6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.397 -10.293 7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.437 -9.466 4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.880 -9.688 5.841 1.00 0.00 H new ATOM 203 N ASN A 17 -8.183 -9.087 5.829 1.00 0.00 N ATOM 204 CA ASN A 17 -7.662 -7.753 5.553 1.00 0.00 C ATOM 205 C ASN A 17 -7.701 -7.452 4.058 1.00 0.00 C ATOM 206 O ASN A 17 -7.982 -8.333 3.245 1.00 0.00 O ATOM 207 CB ASN A 17 -6.229 -7.625 6.073 1.00 0.00 C ATOM 208 CG ASN A 17 -5.975 -8.494 7.289 1.00 0.00 C ATOM 209 OD1 ASN A 17 -5.695 -9.687 7.166 1.00 0.00 O ATOM 210 ND2 ASN A 17 -6.072 -7.899 8.472 1.00 0.00 N ATOM 0 H ASN A 17 -8.003 -9.771 5.094 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.294 -7.030 6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.532 -7.900 5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.029 -6.584 6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.912 -8.433 9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.306 -6.908 8.527 1.00 0.00 H new ATOM 217 N ARG A 18 -7.417 -6.204 3.703 1.00 0.00 N ATOM 218 CA ARG A 18 -7.420 -5.787 2.306 1.00 0.00 C ATOM 219 C ARG A 18 -6.022 -5.892 1.704 1.00 0.00 C ATOM 220 O ARG A 18 -5.033 -6.042 2.423 1.00 0.00 O ATOM 221 CB ARG A 18 -7.933 -4.351 2.181 1.00 0.00 C ATOM 222 CG ARG A 18 -9.439 -4.257 1.996 1.00 0.00 C ATOM 223 CD ARG A 18 -9.842 -4.550 0.559 1.00 0.00 C ATOM 224 NE ARG A 18 -10.045 -5.978 0.328 1.00 0.00 N ATOM 225 CZ ARG A 18 -11.017 -6.683 0.894 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.872 -6.096 1.720 1.00 0.00 N ATOM 227 NH2 ARG A 18 -11.137 -7.979 0.634 1.00 0.00 N ATOM 0 H ARG A 18 -7.182 -5.463 4.364 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.085 -6.453 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.649 -3.794 3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.441 -3.870 1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.934 -4.961 2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.780 -3.260 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.759 -4.011 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.071 -4.179 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.405 -6.460 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.784 -5.100 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.618 -6.640 2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.482 -8.434 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.884 -8.519 1.070 1.00 0.00 H new ATOM 241 N LYS A 19 -5.946 -5.813 0.380 1.00 0.00 N ATOM 242 CA LYS A 19 -4.670 -5.899 -0.320 1.00 0.00 C ATOM 243 C LYS A 19 -4.578 -4.840 -1.415 1.00 0.00 C ATOM 244 O LYS A 19 -5.535 -4.612 -2.153 1.00 0.00 O ATOM 245 CB LYS A 19 -4.490 -7.292 -0.927 1.00 0.00 C ATOM 246 CG LYS A 19 -4.359 -8.395 0.109 1.00 0.00 C ATOM 247 CD LYS A 19 -2.911 -8.602 0.523 1.00 0.00 C ATOM 248 CE LYS A 19 -2.230 -9.652 -0.341 1.00 0.00 C ATOM 249 NZ LYS A 19 -2.339 -9.334 -1.791 1.00 0.00 N ATOM 0 H LYS A 19 -6.754 -5.689 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.875 -5.719 0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.341 -7.511 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.602 -7.292 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.957 -8.145 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.759 -9.325 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.371 -7.659 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.870 -8.907 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.178 -9.724 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.678 -10.627 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.750 -9.995 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.330 -9.423 -2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.012 -8.361 -1.959 1.00 0.00 H new ATOM 263 N ALA A 20 -3.419 -4.198 -1.514 1.00 0.00 N ATOM 264 CA ALA A 20 -3.201 -3.166 -2.521 1.00 0.00 C ATOM 265 C ALA A 20 -1.721 -3.043 -2.869 1.00 0.00 C ATOM 266 O ALA A 20 -0.855 -3.431 -2.086 1.00 0.00 O ATOM 267 CB ALA A 20 -3.743 -1.831 -2.033 1.00 0.00 C ATOM 0 H ALA A 20 -2.616 -4.374 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.737 -3.455 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.574 -1.069 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.812 -1.921 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.232 -1.545 -1.114 1.00 0.00 H new ATOM 273 N ARG A 21 -1.440 -2.501 -4.049 1.00 0.00 N ATOM 274 CA ARG A 21 -0.064 -2.328 -4.502 1.00 0.00 C ATOM 275 C ARG A 21 0.354 -0.863 -4.425 1.00 0.00 C ATOM 276 O ARG A 21 -0.466 0.038 -4.608 1.00 0.00 O ATOM 277 CB ARG A 21 0.091 -2.840 -5.935 1.00 0.00 C ATOM 278 CG ARG A 21 1.513 -2.750 -6.464 1.00 0.00 C ATOM 279 CD ARG A 21 1.616 -3.289 -7.882 1.00 0.00 C ATOM 280 NE ARG A 21 1.003 -4.608 -8.012 1.00 0.00 N ATOM 281 CZ ARG A 21 1.597 -5.735 -7.634 1.00 0.00 C ATOM 282 NH1 ARG A 21 2.813 -5.702 -7.105 1.00 0.00 N ATOM 283 NH2 ARG A 21 0.975 -6.897 -7.784 1.00 0.00 N ATOM 0 H ARG A 21 -2.146 -2.174 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 21 0.584 -2.907 -3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.239 -3.878 -5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.568 -2.269 -6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.845 -1.712 -6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.181 -3.311 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.132 -2.595 -8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.665 -3.347 -8.173 1.00 0.00 H new ATOM 0 HE ARG A 21 0.068 -4.667 -8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.294 -4.810 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.267 -6.568 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.040 -6.926 -8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.432 -7.761 -7.493 1.00 0.00 H new ATOM 297 N VAL A 22 1.634 -0.632 -4.153 1.00 0.00 N ATOM 298 CA VAL A 22 2.161 0.724 -4.053 1.00 0.00 C ATOM 299 C VAL A 22 2.512 1.281 -5.428 1.00 0.00 C ATOM 300 O VAL A 22 3.004 0.558 -6.295 1.00 0.00 O ATOM 301 CB VAL A 22 3.413 0.774 -3.156 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.037 2.161 -3.188 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.064 0.370 -1.732 1.00 0.00 C ATOM 0 H VAL A 22 2.325 -1.366 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 22 1.377 1.336 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 22 4.144 0.064 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.920 2.178 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.324 2.407 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.315 2.893 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.960 0.411 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.315 1.054 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.667 -0.645 -1.729 1.00 0.00 H new ATOM 313 N LEU A 23 2.256 2.570 -5.621 1.00 0.00 N ATOM 314 CA LEU A 23 2.545 3.225 -6.892 1.00 0.00 C ATOM 315 C LEU A 23 3.821 4.056 -6.798 1.00 0.00 C ATOM 316 O LEU A 23 4.506 4.276 -7.797 1.00 0.00 O ATOM 317 CB LEU A 23 1.373 4.115 -7.307 1.00 0.00 C ATOM 318 CG LEU A 23 -0.022 3.512 -7.135 1.00 0.00 C ATOM 319 CD1 LEU A 23 -1.087 4.485 -7.614 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.128 2.191 -7.882 1.00 0.00 C ATOM 0 H LEU A 23 1.849 3.182 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 23 2.691 2.452 -7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.422 5.038 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.503 4.387 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.186 3.320 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.073 4.038 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.026 5.406 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.927 4.710 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.127 1.777 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.057 2.357 -8.943 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.610 1.491 -7.490 1.00 0.00 H new ATOM 332 N TYR A 24 4.135 4.515 -5.591 1.00 0.00 N ATOM 333 CA TYR A 24 5.328 5.322 -5.366 1.00 0.00 C ATOM 334 C TYR A 24 5.934 5.029 -3.997 1.00 0.00 C ATOM 335 O TYR A 24 5.215 4.837 -3.016 1.00 0.00 O ATOM 336 CB TYR A 24 4.992 6.810 -5.480 1.00 0.00 C ATOM 337 CG TYR A 24 4.015 7.127 -6.590 1.00 0.00 C ATOM 338 CD1 TYR A 24 2.645 7.017 -6.388 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.462 7.537 -7.840 1.00 0.00 C ATOM 340 CE1 TYR A 24 1.749 7.305 -7.400 1.00 0.00 C ATOM 341 CE2 TYR A 24 3.574 7.828 -8.856 1.00 0.00 C ATOM 342 CZ TYR A 24 2.218 7.710 -8.632 1.00 0.00 C ATOM 343 OH TYR A 24 1.329 7.999 -9.641 1.00 0.00 O ATOM 0 H TYR A 24 3.579 4.342 -4.753 1.00 0.00 H new ATOM 0 HA TYR A 24 6.061 5.062 -6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.577 7.154 -4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.912 7.370 -5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.274 6.701 -5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.523 7.630 -8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.687 7.213 -7.227 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.939 8.146 -9.821 1.00 0.00 H new ATOM 0 HH TYR A 24 1.822 8.270 -10.443 1.00 0.00 H new ATOM 353 N ASP A 25 7.261 4.997 -3.940 1.00 0.00 N ATOM 354 CA ASP A 25 7.965 4.729 -2.691 1.00 0.00 C ATOM 355 C ASP A 25 7.628 5.782 -1.640 1.00 0.00 C ATOM 356 O ASP A 25 7.406 6.949 -1.965 1.00 0.00 O ATOM 357 CB ASP A 25 9.476 4.695 -2.931 1.00 0.00 C ATOM 358 CG ASP A 25 10.195 3.775 -1.964 1.00 0.00 C ATOM 359 OD1 ASP A 25 10.066 3.983 -0.740 1.00 0.00 O ATOM 360 OD2 ASP A 25 10.887 2.846 -2.432 1.00 0.00 O ATOM 0 H ASP A 25 7.870 5.153 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 25 7.641 3.756 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.671 4.368 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.879 5.703 -2.836 1.00 0.00 H new ATOM 365 N TYR A 26 7.590 5.362 -0.381 1.00 0.00 N ATOM 366 CA TYR A 26 7.275 6.268 0.718 1.00 0.00 C ATOM 367 C TYR A 26 8.230 6.056 1.889 1.00 0.00 C ATOM 368 O TYR A 26 8.734 4.953 2.102 1.00 0.00 O ATOM 369 CB TYR A 26 5.832 6.062 1.179 1.00 0.00 C ATOM 370 CG TYR A 26 5.456 6.895 2.384 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.254 8.264 2.271 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.303 6.311 3.636 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.912 9.029 3.369 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.959 7.068 4.740 1.00 0.00 C ATOM 375 CZ TYR A 26 4.766 8.426 4.601 1.00 0.00 C ATOM 376 OH TYR A 26 4.424 9.184 5.698 1.00 0.00 O ATOM 0 H TYR A 26 7.773 4.400 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 26 7.392 7.290 0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.159 6.304 0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.682 5.009 1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.366 8.739 1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.456 5.248 3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.760 10.093 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.842 6.599 5.706 1.00 0.00 H new ATOM 0 HH TYR A 26 4.094 10.058 5.402 1.00 0.00 H new ATOM 386 N ASP A 27 8.474 7.121 2.645 1.00 0.00 N ATOM 387 CA ASP A 27 9.366 7.053 3.796 1.00 0.00 C ATOM 388 C ASP A 27 8.634 7.445 5.075 1.00 0.00 C ATOM 389 O ASP A 27 8.261 8.603 5.259 1.00 0.00 O ATOM 390 CB ASP A 27 10.575 7.966 3.585 1.00 0.00 C ATOM 391 CG ASP A 27 11.725 7.255 2.900 1.00 0.00 C ATOM 392 OD1 ASP A 27 11.747 7.230 1.652 1.00 0.00 O ATOM 393 OD2 ASP A 27 12.603 6.724 3.612 1.00 0.00 O ATOM 0 H ASP A 27 8.066 8.042 2.481 1.00 0.00 H new ATOM 0 HA ASP A 27 9.711 6.024 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.276 8.827 2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.911 8.348 4.549 1.00 0.00 H new ATOM 398 N ALA A 28 8.431 6.472 5.957 1.00 0.00 N ATOM 399 CA ALA A 28 7.745 6.715 7.220 1.00 0.00 C ATOM 400 C ALA A 28 8.387 7.870 7.980 1.00 0.00 C ATOM 401 O ALA A 28 9.609 7.939 8.107 1.00 0.00 O ATOM 402 CB ALA A 28 7.745 5.455 8.072 1.00 0.00 C ATOM 0 H ALA A 28 8.732 5.507 5.820 1.00 0.00 H new ATOM 0 HA ALA A 28 6.714 6.990 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.229 5.651 9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.233 4.655 7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.772 5.155 8.278 1.00 0.00 H new ATOM 408 N ALA A 29 7.555 8.777 8.482 1.00 0.00 N ATOM 409 CA ALA A 29 8.042 9.929 9.231 1.00 0.00 C ATOM 410 C ALA A 29 8.201 9.595 10.711 1.00 0.00 C ATOM 411 O ALA A 29 9.105 10.097 11.376 1.00 0.00 O ATOM 412 CB ALA A 29 7.101 11.111 9.053 1.00 0.00 C ATOM 0 H ALA A 29 6.541 8.736 8.383 1.00 0.00 H new ATOM 0 HA ALA A 29 9.023 10.197 8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.477 11.964 9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.042 11.373 7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.109 10.844 9.417 1.00 0.00 H new ATOM 418 N ASN A 30 7.315 8.744 11.219 1.00 0.00 N ATOM 419 CA ASN A 30 7.357 8.344 12.621 1.00 0.00 C ATOM 420 C ASN A 30 7.097 6.848 12.767 1.00 0.00 C ATOM 421 O ASN A 30 6.762 6.167 11.798 1.00 0.00 O ATOM 422 CB ASN A 30 6.325 9.133 13.428 1.00 0.00 C ATOM 423 CG ASN A 30 5.117 9.524 12.599 1.00 0.00 C ATOM 424 OD1 ASN A 30 4.666 8.613 11.745 1.00 0.00 O flip ATOM 425 ND2 ASN A 30 4.596 10.632 12.725 1.00 0.00 N flip ATOM 0 H ASN A 30 6.560 8.319 10.681 1.00 0.00 H new ATOM 0 HA ASN A 30 8.353 8.561 13.006 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.000 8.535 14.279 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.792 10.032 13.830 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.976 11.301 13.394 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.784 10.881 12.160 1.00 0.00 H new ATOM 432 N SER A 31 7.254 6.342 13.986 1.00 0.00 N ATOM 433 CA SER A 31 7.040 4.926 14.260 1.00 0.00 C ATOM 434 C SER A 31 5.600 4.525 13.955 1.00 0.00 C ATOM 435 O SER A 31 5.278 3.340 13.865 1.00 0.00 O ATOM 436 CB SER A 31 7.370 4.611 15.720 1.00 0.00 C ATOM 437 OG SER A 31 6.951 5.660 16.576 1.00 0.00 O ATOM 0 H SER A 31 7.529 6.892 14.800 1.00 0.00 H new ATOM 0 HA SER A 31 7.704 4.352 13.613 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.883 3.681 16.014 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.444 4.456 15.828 1.00 0.00 H new ATOM 0 HG SER A 31 7.172 5.433 17.503 1.00 0.00 H new ATOM 443 N THR A 32 4.736 5.523 13.797 1.00 0.00 N ATOM 444 CA THR A 32 3.329 5.277 13.503 1.00 0.00 C ATOM 445 C THR A 32 3.119 4.992 12.020 1.00 0.00 C ATOM 446 O THR A 32 2.119 4.389 11.631 1.00 0.00 O ATOM 447 CB THR A 32 2.452 6.474 13.913 1.00 0.00 C ATOM 448 OG1 THR A 32 3.123 7.701 13.607 1.00 0.00 O ATOM 449 CG2 THR A 32 2.128 6.424 15.399 1.00 0.00 C ATOM 0 H THR A 32 4.986 6.509 13.868 1.00 0.00 H new ATOM 0 HA THR A 32 3.033 4.403 14.084 1.00 0.00 H new ATOM 0 HB THR A 32 1.519 6.421 13.352 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.542 7.633 12.724 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.508 7.280 15.665 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.591 5.503 15.623 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.053 6.454 15.974 1.00 0.00 H new ATOM 457 N GLU A 33 4.068 5.428 11.198 1.00 0.00 N ATOM 458 CA GLU A 33 3.985 5.219 9.757 1.00 0.00 C ATOM 459 C GLU A 33 4.934 4.109 9.313 1.00 0.00 C ATOM 460 O GLU A 33 5.921 3.813 9.989 1.00 0.00 O ATOM 461 CB GLU A 33 4.312 6.514 9.012 1.00 0.00 C ATOM 462 CG GLU A 33 3.231 7.575 9.131 1.00 0.00 C ATOM 463 CD GLU A 33 3.730 8.960 8.766 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.932 9.230 8.971 1.00 0.00 O ATOM 465 OE2 GLU A 33 2.919 9.773 8.275 1.00 0.00 O ATOM 0 H GLU A 33 4.903 5.928 11.505 1.00 0.00 H new ATOM 0 HA GLU A 33 2.965 4.919 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.249 6.917 9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.471 6.286 7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.395 7.311 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.850 7.588 10.152 1.00 0.00 H new ATOM 472 N LEU A 34 4.629 3.499 8.174 1.00 0.00 N ATOM 473 CA LEU A 34 5.453 2.421 7.638 1.00 0.00 C ATOM 474 C LEU A 34 6.002 2.788 6.262 1.00 0.00 C ATOM 475 O LEU A 34 5.360 3.509 5.499 1.00 0.00 O ATOM 476 CB LEU A 34 4.642 1.128 7.548 1.00 0.00 C ATOM 477 CG LEU A 34 4.709 0.207 8.766 1.00 0.00 C ATOM 478 CD1 LEU A 34 3.877 -1.045 8.536 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.153 -0.160 9.078 1.00 0.00 C ATOM 0 H LEU A 34 3.817 3.732 7.603 1.00 0.00 H new ATOM 0 HA LEU A 34 6.293 2.268 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.598 1.389 7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.982 0.569 6.676 1.00 0.00 H new ATOM 0 HG LEU A 34 4.297 0.740 9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.937 -1.688 9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.838 -0.765 8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.259 -1.581 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.182 -0.816 9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.591 -0.673 8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.721 0.746 9.288 1.00 0.00 H new ATOM 491 N SER A 35 7.192 2.284 5.953 1.00 0.00 N ATOM 492 CA SER A 35 7.828 2.560 4.670 1.00 0.00 C ATOM 493 C SER A 35 7.203 1.719 3.561 1.00 0.00 C ATOM 494 O SER A 35 6.792 0.579 3.787 1.00 0.00 O ATOM 495 CB SER A 35 9.330 2.281 4.751 1.00 0.00 C ATOM 496 OG SER A 35 9.997 3.288 5.491 1.00 0.00 O ATOM 0 H SER A 35 7.735 1.683 6.573 1.00 0.00 H new ATOM 0 HA SER A 35 7.673 3.613 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.498 1.311 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.748 2.227 3.746 1.00 0.00 H new ATOM 0 HG SER A 35 10.955 3.085 5.529 1.00 0.00 H new ATOM 502 N LEU A 36 7.133 2.288 2.363 1.00 0.00 N ATOM 503 CA LEU A 36 6.557 1.592 1.218 1.00 0.00 C ATOM 504 C LEU A 36 7.555 1.521 0.066 1.00 0.00 C ATOM 505 O LEU A 36 8.487 2.322 -0.012 1.00 0.00 O ATOM 506 CB LEU A 36 5.279 2.295 0.758 1.00 0.00 C ATOM 507 CG LEU A 36 4.166 2.414 1.800 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.912 3.007 1.176 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.866 1.055 2.416 1.00 0.00 C ATOM 0 H LEU A 36 7.468 3.230 2.159 1.00 0.00 H new ATOM 0 HA LEU A 36 6.313 0.576 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.541 3.297 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.885 1.760 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 36 4.504 3.083 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.131 3.084 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.135 3.999 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.570 2.364 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.072 1.158 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.548 0.364 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.763 0.668 2.899 1.00 0.00 H new ATOM 521 N LEU A 37 7.352 0.559 -0.828 1.00 0.00 N ATOM 522 CA LEU A 37 8.232 0.385 -1.978 1.00 0.00 C ATOM 523 C LEU A 37 7.437 0.403 -3.280 1.00 0.00 C ATOM 524 O LEU A 37 6.318 -0.106 -3.342 1.00 0.00 O ATOM 525 CB LEU A 37 9.006 -0.929 -1.858 1.00 0.00 C ATOM 526 CG LEU A 37 10.187 -0.925 -0.886 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.862 -2.288 -0.861 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.185 0.160 -1.262 1.00 0.00 C ATOM 0 H LEU A 37 6.586 -0.112 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 37 8.938 1.216 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.311 -1.710 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.376 -1.202 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 37 9.809 -0.711 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.700 -2.266 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.144 -3.044 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.226 -2.532 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.018 0.147 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.558 -0.022 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.695 1.133 -1.227 1.00 0.00 H new ATOM 540 N ALA A 38 8.024 0.990 -4.317 1.00 0.00 N ATOM 541 CA ALA A 38 7.372 1.070 -5.619 1.00 0.00 C ATOM 542 C ALA A 38 7.182 -0.317 -6.223 1.00 0.00 C ATOM 543 O ALA A 38 8.136 -1.083 -6.358 1.00 0.00 O ATOM 544 CB ALA A 38 8.180 1.952 -6.560 1.00 0.00 C ATOM 0 H ALA A 38 8.950 1.417 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 38 6.387 1.515 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.682 2.003 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.260 2.955 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.177 1.531 -6.687 1.00 0.00 H new ATOM 550 N ASP A 39 5.944 -0.634 -6.586 1.00 0.00 N ATOM 551 CA ASP A 39 5.628 -1.929 -7.177 1.00 0.00 C ATOM 552 C ASP A 39 5.629 -3.025 -6.116 1.00 0.00 C ATOM 553 O ASP A 39 6.151 -4.117 -6.339 1.00 0.00 O ATOM 554 CB ASP A 39 6.631 -2.269 -8.280 1.00 0.00 C ATOM 555 CG ASP A 39 6.947 -1.077 -9.162 1.00 0.00 C ATOM 556 OD1 ASP A 39 6.052 -0.647 -9.920 1.00 0.00 O ATOM 557 OD2 ASP A 39 8.088 -0.574 -9.096 1.00 0.00 O ATOM 0 H ASP A 39 5.143 -0.012 -6.481 1.00 0.00 H new ATOM 0 HA ASP A 39 4.630 -1.869 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.552 -2.638 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.232 -3.076 -8.894 1.00 0.00 H new ATOM 562 N GLU A 40 5.043 -2.725 -4.961 1.00 0.00 N ATOM 563 CA GLU A 40 4.979 -3.685 -3.865 1.00 0.00 C ATOM 564 C GLU A 40 3.557 -3.800 -3.325 1.00 0.00 C ATOM 565 O GLU A 40 2.893 -2.794 -3.074 1.00 0.00 O ATOM 566 CB GLU A 40 5.933 -3.274 -2.741 1.00 0.00 C ATOM 567 CG GLU A 40 5.280 -2.408 -1.677 1.00 0.00 C ATOM 568 CD GLU A 40 6.154 -2.237 -0.449 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.106 -3.028 -0.283 1.00 0.00 O ATOM 570 OE2 GLU A 40 5.886 -1.312 0.346 1.00 0.00 O ATOM 0 H GLU A 40 4.606 -1.825 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 40 5.282 -4.659 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.336 -4.171 -2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.776 -2.733 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.056 -1.428 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.330 -2.854 -1.383 1.00 0.00 H new ATOM 577 N VAL A 41 3.095 -5.034 -3.148 1.00 0.00 N ATOM 578 CA VAL A 41 1.752 -5.281 -2.636 1.00 0.00 C ATOM 579 C VAL A 41 1.798 -5.835 -1.217 1.00 0.00 C ATOM 580 O VAL A 41 2.350 -6.909 -0.976 1.00 0.00 O ATOM 581 CB VAL A 41 0.982 -6.267 -3.535 1.00 0.00 C ATOM 582 CG1 VAL A 41 1.874 -7.430 -3.940 1.00 0.00 C ATOM 583 CG2 VAL A 41 -0.270 -6.765 -2.829 1.00 0.00 C ATOM 0 H VAL A 41 3.631 -5.878 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 41 1.233 -4.322 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 41 0.677 -5.743 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.312 -8.116 -4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.737 -7.053 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.213 -7.957 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.802 -7.460 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.010 -7.273 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.917 -5.919 -2.596 1.00 0.00 H new ATOM 593 N ILE A 42 1.214 -5.095 -0.280 1.00 0.00 N ATOM 594 CA ILE A 42 1.187 -5.513 1.116 1.00 0.00 C ATOM 595 C ILE A 42 -0.245 -5.619 1.631 1.00 0.00 C ATOM 596 O ILE A 42 -1.198 -5.304 0.918 1.00 0.00 O ATOM 597 CB ILE A 42 1.972 -4.536 2.012 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.402 -3.122 1.883 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.448 -4.553 1.647 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.767 -2.216 3.038 1.00 0.00 C ATOM 0 H ILE A 42 0.753 -4.203 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 42 1.660 -6.494 1.161 1.00 0.00 H new ATOM 0 HB ILE A 42 1.871 -4.855 3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.762 -2.677 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.316 -3.182 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.989 -3.858 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.845 -5.559 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.569 -4.255 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.329 -1.230 2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.384 -2.638 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.851 -2.126 3.101 1.00 0.00 H new ATOM 612 N THR A 43 -0.389 -6.063 2.876 1.00 0.00 N ATOM 613 CA THR A 43 -1.704 -6.209 3.487 1.00 0.00 C ATOM 614 C THR A 43 -2.157 -4.906 4.135 1.00 0.00 C ATOM 615 O THR A 43 -1.485 -4.373 5.018 1.00 0.00 O ATOM 616 CB THR A 43 -1.709 -7.326 4.548 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.272 -8.558 3.964 1.00 0.00 O ATOM 618 CG2 THR A 43 -3.099 -7.504 5.140 1.00 0.00 C ATOM 0 H THR A 43 0.389 -6.328 3.480 1.00 0.00 H new ATOM 0 HA THR A 43 -2.396 -6.474 2.688 1.00 0.00 H new ATOM 0 HB THR A 43 -1.025 -7.041 5.347 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.276 -9.263 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.078 -8.298 5.887 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.416 -6.573 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.800 -7.769 4.349 1.00 0.00 H new ATOM 626 N VAL A 44 -3.303 -4.398 3.693 1.00 0.00 N ATOM 627 CA VAL A 44 -3.848 -3.157 4.231 1.00 0.00 C ATOM 628 C VAL A 44 -5.187 -3.398 4.919 1.00 0.00 C ATOM 629 O VAL A 44 -5.995 -4.207 4.462 1.00 0.00 O ATOM 630 CB VAL A 44 -4.032 -2.099 3.127 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.686 -1.686 2.553 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.948 -2.626 2.033 1.00 0.00 C ATOM 0 H VAL A 44 -3.872 -4.827 2.963 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.129 -2.786 4.962 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.498 -1.217 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.836 -0.938 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.066 -1.266 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.189 -2.558 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.067 -1.866 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.512 -3.524 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.922 -2.867 2.459 1.00 0.00 H new ATOM 642 N PHE A 45 -5.417 -2.689 6.019 1.00 0.00 N ATOM 643 CA PHE A 45 -6.659 -2.826 6.771 1.00 0.00 C ATOM 644 C PHE A 45 -6.995 -1.531 7.505 1.00 0.00 C ATOM 645 O PHE A 45 -6.104 -0.771 7.885 1.00 0.00 O ATOM 646 CB PHE A 45 -6.551 -3.979 7.771 1.00 0.00 C ATOM 647 CG PHE A 45 -5.237 -4.022 8.497 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.058 -4.266 7.811 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.180 -3.818 9.866 1.00 0.00 C ATOM 650 CE1 PHE A 45 -2.847 -4.305 8.476 1.00 0.00 C ATOM 651 CE2 PHE A 45 -3.972 -3.856 10.537 1.00 0.00 C ATOM 652 CZ PHE A 45 -2.804 -4.101 9.841 1.00 0.00 C ATOM 0 H PHE A 45 -4.760 -2.014 6.410 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.460 -3.042 6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.357 -3.894 8.500 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.697 -4.922 7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.086 -4.428 6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.090 -3.627 10.415 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.935 -4.495 7.929 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.941 -3.694 11.604 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.859 -4.133 10.363 1.00 0.00 H new ATOM 662 N SER A 46 -8.287 -1.288 7.702 1.00 0.00 N ATOM 663 CA SER A 46 -8.742 -0.084 8.387 1.00 0.00 C ATOM 664 C SER A 46 -8.812 -0.309 9.894 1.00 0.00 C ATOM 665 O SER A 46 -9.273 -1.353 10.357 1.00 0.00 O ATOM 666 CB SER A 46 -10.114 0.341 7.859 1.00 0.00 C ATOM 667 OG SER A 46 -11.041 -0.729 7.929 1.00 0.00 O ATOM 0 H SER A 46 -9.037 -1.909 7.397 1.00 0.00 H new ATOM 0 HA SER A 46 -8.022 0.710 8.189 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.485 1.186 8.439 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.021 0.679 6.827 1.00 0.00 H new ATOM 0 HG SER A 46 -11.910 -0.432 7.588 1.00 0.00 H new ATOM 673 N VAL A 47 -8.351 0.678 10.656 1.00 0.00 N ATOM 674 CA VAL A 47 -8.361 0.589 12.111 1.00 0.00 C ATOM 675 C VAL A 47 -9.115 1.761 12.728 1.00 0.00 C ATOM 676 O VAL A 47 -8.922 2.913 12.337 1.00 0.00 O ATOM 677 CB VAL A 47 -6.931 0.555 12.681 1.00 0.00 C ATOM 678 CG1 VAL A 47 -6.958 0.275 14.176 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.091 -0.482 11.952 1.00 0.00 C ATOM 0 H VAL A 47 -7.966 1.548 10.289 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.868 -0.341 12.368 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.474 1.533 12.527 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.938 0.255 14.561 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.522 1.058 14.683 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.433 -0.689 14.357 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.084 -0.492 12.368 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.543 -1.466 12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.043 -0.232 10.892 1.00 0.00 H new ATOM 689 N VAL A 48 -9.976 1.461 13.695 1.00 0.00 N ATOM 690 CA VAL A 48 -10.759 2.491 14.369 1.00 0.00 C ATOM 691 C VAL A 48 -9.903 3.712 14.687 1.00 0.00 C ATOM 692 O VAL A 48 -8.777 3.586 15.164 1.00 0.00 O ATOM 693 CB VAL A 48 -11.381 1.959 15.674 1.00 0.00 C ATOM 694 CG1 VAL A 48 -11.809 3.112 16.569 1.00 0.00 C ATOM 695 CG2 VAL A 48 -12.557 1.044 15.368 1.00 0.00 C ATOM 0 H VAL A 48 -10.149 0.513 14.030 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.558 2.779 13.686 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.628 1.378 16.206 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.246 2.718 17.486 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.941 3.724 16.815 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.547 3.722 16.048 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.985 0.677 16.301 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.315 1.598 14.815 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.215 0.200 14.769 1.00 0.00 H new ATOM 705 N GLY A 49 -10.447 4.895 14.419 1.00 0.00 N ATOM 706 CA GLY A 49 -9.720 6.123 14.683 1.00 0.00 C ATOM 707 C GLY A 49 -8.569 6.334 13.720 1.00 0.00 C ATOM 708 O GLY A 49 -7.545 6.911 14.083 1.00 0.00 O ATOM 0 H GLY A 49 -11.378 5.025 14.024 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.405 6.968 14.617 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.337 6.103 15.703 1.00 0.00 H new ATOM 712 N MET A 50 -8.737 5.864 12.488 1.00 0.00 N ATOM 713 CA MET A 50 -7.702 6.004 11.469 1.00 0.00 C ATOM 714 C MET A 50 -8.188 6.878 10.317 1.00 0.00 C ATOM 715 O MET A 50 -9.243 6.623 9.735 1.00 0.00 O ATOM 716 CB MET A 50 -7.286 4.630 10.942 1.00 0.00 C ATOM 717 CG MET A 50 -6.335 4.695 9.759 1.00 0.00 C ATOM 718 SD MET A 50 -5.849 3.063 9.166 1.00 0.00 S ATOM 719 CE MET A 50 -4.140 3.004 9.700 1.00 0.00 C ATOM 0 H MET A 50 -9.579 5.383 12.171 1.00 0.00 H new ATOM 0 HA MET A 50 -6.838 6.486 11.928 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.812 4.069 11.748 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.179 4.077 10.650 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.809 5.246 8.947 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.444 5.253 10.045 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.736 2.008 9.517 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.559 3.739 9.143 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.084 3.229 10.765 1.00 0.00 H new ATOM 729 N ASP A 51 -7.414 7.908 9.994 1.00 0.00 N ATOM 730 CA ASP A 51 -7.766 8.819 8.911 1.00 0.00 C ATOM 731 C ASP A 51 -8.302 8.050 7.707 1.00 0.00 C ATOM 732 O ASP A 51 -8.135 6.834 7.610 1.00 0.00 O ATOM 733 CB ASP A 51 -6.550 9.651 8.501 1.00 0.00 C ATOM 734 CG ASP A 51 -6.475 10.971 9.242 1.00 0.00 C ATOM 735 OD1 ASP A 51 -7.481 11.710 9.239 1.00 0.00 O ATOM 736 OD2 ASP A 51 -5.410 11.265 9.825 1.00 0.00 O ATOM 0 H ASP A 51 -6.539 8.133 10.467 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.549 9.487 9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.642 9.079 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.589 9.841 7.428 1.00 0.00 H new ATOM 741 N SER A 52 -8.947 8.767 6.793 1.00 0.00 N ATOM 742 CA SER A 52 -9.512 8.152 5.598 1.00 0.00 C ATOM 743 C SER A 52 -8.449 7.993 4.514 1.00 0.00 C ATOM 744 O SER A 52 -8.542 7.109 3.663 1.00 0.00 O ATOM 745 CB SER A 52 -10.675 8.992 5.067 1.00 0.00 C ATOM 746 OG SER A 52 -11.583 9.319 6.105 1.00 0.00 O ATOM 0 H SER A 52 -9.091 9.775 6.857 1.00 0.00 H new ATOM 0 HA SER A 52 -9.881 7.163 5.869 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.291 9.906 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.196 8.443 4.283 1.00 0.00 H new ATOM 0 HG SER A 52 -12.316 9.857 5.741 1.00 0.00 H new ATOM 752 N ASP A 53 -7.440 8.857 4.553 1.00 0.00 N ATOM 753 CA ASP A 53 -6.358 8.813 3.577 1.00 0.00 C ATOM 754 C ASP A 53 -5.169 8.026 4.118 1.00 0.00 C ATOM 755 O ASP A 53 -4.029 8.243 3.706 1.00 0.00 O ATOM 756 CB ASP A 53 -5.921 10.231 3.205 1.00 0.00 C ATOM 757 CG ASP A 53 -6.885 10.901 2.245 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.319 10.238 1.280 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.205 12.089 2.461 1.00 0.00 O ATOM 0 H ASP A 53 -7.349 9.596 5.250 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.727 8.309 2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.838 10.832 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.929 10.196 2.754 1.00 0.00 H new ATOM 764 N TRP A 54 -5.442 7.114 5.043 1.00 0.00 N ATOM 765 CA TRP A 54 -4.394 6.295 5.642 1.00 0.00 C ATOM 766 C TRP A 54 -4.949 4.952 6.103 1.00 0.00 C ATOM 767 O TRP A 54 -5.951 4.895 6.816 1.00 0.00 O ATOM 768 CB TRP A 54 -3.756 7.029 6.822 1.00 0.00 C ATOM 769 CG TRP A 54 -2.975 8.242 6.415 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.471 9.489 6.161 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.560 8.322 6.213 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.449 10.340 5.814 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.267 9.648 5.839 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.512 7.404 6.314 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.030 10.075 5.565 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.775 7.828 6.041 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.037 9.154 5.671 1.00 0.00 C ATOM 0 H TRP A 54 -6.380 6.922 5.395 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.633 6.111 4.883 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.538 7.327 7.521 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.097 6.343 7.354 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.513 9.766 6.224 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.554 11.326 5.576 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.704 6.381 6.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.234 11.096 5.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.592 7.126 6.114 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.054 9.455 5.465 1.00 0.00 H new ATOM 788 N LEU A 55 -4.292 3.873 5.692 1.00 0.00 N ATOM 789 CA LEU A 55 -4.720 2.529 6.064 1.00 0.00 C ATOM 790 C LEU A 55 -3.681 1.852 6.952 1.00 0.00 C ATOM 791 O LEU A 55 -2.635 2.429 7.250 1.00 0.00 O ATOM 792 CB LEU A 55 -4.963 1.685 4.811 1.00 0.00 C ATOM 793 CG LEU A 55 -6.382 1.721 4.242 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.390 1.250 2.796 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.318 0.869 5.088 1.00 0.00 C ATOM 0 H LEU A 55 -3.461 3.903 5.101 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.651 2.614 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.273 2.016 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.711 0.650 5.040 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.737 2.751 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.408 1.283 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.753 1.901 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.015 0.228 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.323 0.906 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.965 -0.162 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.336 1.252 6.108 1.00 0.00 H new ATOM 807 N MET A 56 -3.976 0.626 7.371 1.00 0.00 N ATOM 808 CA MET A 56 -3.065 -0.130 8.223 1.00 0.00 C ATOM 809 C MET A 56 -2.256 -1.129 7.402 1.00 0.00 C ATOM 810 O MET A 56 -2.750 -2.196 7.042 1.00 0.00 O ATOM 811 CB MET A 56 -3.846 -0.864 9.315 1.00 0.00 C ATOM 812 CG MET A 56 -3.059 -1.050 10.603 1.00 0.00 C ATOM 813 SD MET A 56 -2.669 0.513 11.411 1.00 0.00 S ATOM 814 CE MET A 56 -1.072 0.135 12.128 1.00 0.00 C ATOM 0 H MET A 56 -4.838 0.135 7.135 1.00 0.00 H new ATOM 0 HA MET A 56 -2.375 0.573 8.689 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.759 -0.309 9.533 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.149 -1.841 8.939 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.633 -1.675 11.287 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.133 -1.583 10.385 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.514 1.059 12.281 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.213 -0.367 13.085 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.516 -0.517 11.455 1.00 0.00 H new ATOM 824 N GLY A 57 -1.008 -0.774 7.109 1.00 0.00 N ATOM 825 CA GLY A 57 -0.151 -1.650 6.332 1.00 0.00 C ATOM 826 C GLY A 57 0.677 -2.573 7.203 1.00 0.00 C ATOM 827 O GLY A 57 1.126 -2.183 8.280 1.00 0.00 O ATOM 0 H GLY A 57 -0.576 0.104 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.764 -2.246 5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.513 -1.047 5.713 1.00 0.00 H new ATOM 831 N GLU A 58 0.877 -3.802 6.738 1.00 0.00 N ATOM 832 CA GLU A 58 1.654 -4.784 7.485 1.00 0.00 C ATOM 833 C GLU A 58 2.745 -5.394 6.610 1.00 0.00 C ATOM 834 O GLU A 58 2.460 -6.143 5.675 1.00 0.00 O ATOM 835 CB GLU A 58 0.741 -5.888 8.023 1.00 0.00 C ATOM 836 CG GLU A 58 1.481 -6.970 8.791 1.00 0.00 C ATOM 837 CD GLU A 58 0.781 -8.313 8.728 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.352 -8.416 9.244 1.00 0.00 O ATOM 839 OE2 GLU A 58 1.364 -9.261 8.162 1.00 0.00 O ATOM 0 H GLU A 58 0.512 -4.141 5.848 1.00 0.00 H new ATOM 0 HA GLU A 58 2.127 -4.273 8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.010 -5.441 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.208 -6.346 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.489 -7.071 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.582 -6.666 9.833 1.00 0.00 H new ATOM 846 N ARG A 59 3.996 -5.067 6.920 1.00 0.00 N ATOM 847 CA ARG A 59 5.130 -5.580 6.162 1.00 0.00 C ATOM 848 C ARG A 59 5.957 -6.545 7.006 1.00 0.00 C ATOM 849 O ARG A 59 6.796 -6.127 7.802 1.00 0.00 O ATOM 850 CB ARG A 59 6.011 -4.427 5.677 1.00 0.00 C ATOM 851 CG ARG A 59 6.770 -4.737 4.397 1.00 0.00 C ATOM 852 CD ARG A 59 7.364 -3.478 3.784 1.00 0.00 C ATOM 853 NE ARG A 59 8.711 -3.210 4.280 1.00 0.00 N ATOM 854 CZ ARG A 59 9.386 -2.099 4.010 1.00 0.00 C ATOM 855 NH1 ARG A 59 8.843 -1.156 3.253 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.608 -1.928 4.499 1.00 0.00 N ATOM 0 H ARG A 59 4.249 -4.449 7.691 1.00 0.00 H new ATOM 0 HA ARG A 59 4.742 -6.120 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.388 -3.548 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.725 -4.172 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.566 -5.451 4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.099 -5.211 3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.391 -3.581 2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.720 -2.628 4.007 1.00 0.00 H new ATOM 0 HE ARG A 59 9.158 -3.915 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.904 -1.283 2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.364 -0.304 3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.029 -2.650 5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.126 -1.074 4.291 1.00 0.00 H new ATOM 870 N GLY A 60 5.712 -7.840 6.827 1.00 0.00 N ATOM 871 CA GLY A 60 6.441 -8.844 7.580 1.00 0.00 C ATOM 872 C GLY A 60 6.049 -8.869 9.044 1.00 0.00 C ATOM 873 O GLY A 60 5.032 -9.456 9.411 1.00 0.00 O ATOM 0 H GLY A 60 5.022 -8.211 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.259 -9.825 7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.510 -8.651 7.497 1.00 0.00 H new ATOM 877 N ASN A 61 6.859 -8.231 9.883 1.00 0.00 N ATOM 878 CA ASN A 61 6.592 -8.184 11.316 1.00 0.00 C ATOM 879 C ASN A 61 6.476 -6.743 11.801 1.00 0.00 C ATOM 880 O ASN A 61 6.915 -6.411 12.902 1.00 0.00 O ATOM 881 CB ASN A 61 7.700 -8.906 12.085 1.00 0.00 C ATOM 882 CG ASN A 61 7.783 -10.379 11.734 1.00 0.00 C ATOM 883 OD1 ASN A 61 7.344 -11.237 12.500 1.00 0.00 O ATOM 884 ND2 ASN A 61 8.349 -10.679 10.571 1.00 0.00 N ATOM 0 H ASN A 61 7.705 -7.740 9.595 1.00 0.00 H new ATOM 0 HA ASN A 61 5.643 -8.687 11.501 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.657 -8.430 11.871 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.524 -8.800 13.155 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.434 -11.653 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.699 -9.935 9.967 1.00 0.00 H new ATOM 891 N GLN A 62 5.881 -5.891 10.972 1.00 0.00 N ATOM 892 CA GLN A 62 5.707 -4.485 11.317 1.00 0.00 C ATOM 893 C GLN A 62 4.304 -4.006 10.958 1.00 0.00 C ATOM 894 O GLN A 62 3.601 -4.642 10.173 1.00 0.00 O ATOM 895 CB GLN A 62 6.751 -3.629 10.597 1.00 0.00 C ATOM 896 CG GLN A 62 8.099 -3.597 11.298 1.00 0.00 C ATOM 897 CD GLN A 62 8.889 -2.341 10.987 1.00 0.00 C ATOM 898 OE1 GLN A 62 9.949 -2.399 10.363 1.00 0.00 O ATOM 899 NE2 GLN A 62 8.376 -1.196 11.421 1.00 0.00 N ATOM 0 H GLN A 62 5.512 -6.150 10.057 1.00 0.00 H new ATOM 0 HA GLN A 62 5.842 -4.381 12.394 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.886 -4.010 9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.374 -2.610 10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.946 -3.668 12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.680 -4.470 11.000 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.495 -1.194 11.934 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.863 -0.318 11.241 1.00 0.00 H new ATOM 908 N LYS A 63 3.902 -2.881 11.540 1.00 0.00 N ATOM 909 CA LYS A 63 2.584 -2.315 11.282 1.00 0.00 C ATOM 910 C LYS A 63 2.600 -0.799 11.453 1.00 0.00 C ATOM 911 O LYS A 63 3.264 -0.272 12.344 1.00 0.00 O ATOM 912 CB LYS A 63 1.547 -2.934 12.222 1.00 0.00 C ATOM 913 CG LYS A 63 1.166 -4.357 11.855 1.00 0.00 C ATOM 914 CD LYS A 63 -0.202 -4.727 12.403 1.00 0.00 C ATOM 915 CE LYS A 63 -0.178 -4.860 13.918 1.00 0.00 C ATOM 916 NZ LYS A 63 -1.243 -5.776 14.412 1.00 0.00 N ATOM 0 H LYS A 63 4.471 -2.343 12.194 1.00 0.00 H new ATOM 0 HA LYS A 63 2.313 -2.544 10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.938 -2.923 13.239 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.650 -2.314 12.219 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.166 -4.466 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.914 -5.047 12.245 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.928 -3.967 12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.531 -5.667 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.796 -5.232 14.234 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.306 -3.877 14.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.193 -5.840 15.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.175 -5.408 14.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.106 -6.721 14.000 1.00 0.00 H new ATOM 930 N GLY A 64 1.862 -0.103 10.592 1.00 0.00 N ATOM 931 CA GLY A 64 1.805 1.345 10.667 1.00 0.00 C ATOM 932 C GLY A 64 0.773 1.934 9.725 1.00 0.00 C ATOM 933 O GLY A 64 -0.030 1.207 9.140 1.00 0.00 O ATOM 0 H GLY A 64 1.304 -0.516 9.845 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.572 1.644 11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.786 1.757 10.430 1.00 0.00 H new ATOM 937 N LYS A 65 0.793 3.254 9.578 1.00 0.00 N ATOM 938 CA LYS A 65 -0.147 3.941 8.701 1.00 0.00 C ATOM 939 C LYS A 65 0.422 4.078 7.293 1.00 0.00 C ATOM 940 O LYS A 65 1.576 4.468 7.114 1.00 0.00 O ATOM 941 CB LYS A 65 -0.483 5.324 9.264 1.00 0.00 C ATOM 942 CG LYS A 65 -1.183 5.279 10.611 1.00 0.00 C ATOM 943 CD LYS A 65 -2.093 6.480 10.807 1.00 0.00 C ATOM 944 CE LYS A 65 -1.340 7.788 10.617 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.944 8.896 11.408 1.00 0.00 N ATOM 0 H LYS A 65 1.451 3.870 10.056 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.058 3.345 8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.437 5.901 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.117 5.853 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.767 4.362 10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.440 5.251 11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.921 6.430 10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.526 6.450 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.300 7.655 10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.338 8.055 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.402 9.770 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.929 9.041 11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.923 8.652 12.419 1.00 0.00 H new ATOM 959 N VAL A 66 -0.395 3.757 6.295 1.00 0.00 N ATOM 960 CA VAL A 66 0.027 3.847 4.902 1.00 0.00 C ATOM 961 C VAL A 66 -0.894 4.765 4.107 1.00 0.00 C ATOM 962 O VAL A 66 -2.119 4.679 4.189 1.00 0.00 O ATOM 963 CB VAL A 66 0.053 2.460 4.233 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.269 1.669 4.690 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.230 1.700 4.532 1.00 0.00 C ATOM 0 H VAL A 66 -1.353 3.432 6.425 1.00 0.00 H new ATOM 0 HA VAL A 66 1.035 4.261 4.903 1.00 0.00 H new ATOM 0 HB VAL A 66 0.124 2.598 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.270 0.692 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.177 2.209 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.233 1.539 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.194 0.722 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.334 1.571 5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.083 2.261 4.150 1.00 0.00 H new ATOM 975 N PRO A 67 -0.292 5.667 3.317 1.00 0.00 N ATOM 976 CA PRO A 67 -1.040 6.619 2.491 1.00 0.00 C ATOM 977 C PRO A 67 -1.760 5.939 1.331 1.00 0.00 C ATOM 978 O PRO A 67 -1.128 5.333 0.465 1.00 0.00 O ATOM 979 CB PRO A 67 0.046 7.562 1.966 1.00 0.00 C ATOM 980 CG PRO A 67 1.296 6.753 1.993 1.00 0.00 C ATOM 981 CD PRO A 67 1.164 5.826 3.170 1.00 0.00 C ATOM 0 HA PRO A 67 -1.824 7.122 3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.182 7.905 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.136 8.450 2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.418 6.192 1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.173 7.393 2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.656 4.871 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.615 6.249 4.068 1.00 0.00 H new ATOM 989 N ILE A 68 -3.085 6.044 1.320 1.00 0.00 N ATOM 990 CA ILE A 68 -3.890 5.441 0.266 1.00 0.00 C ATOM 991 C ILE A 68 -3.522 6.009 -1.100 1.00 0.00 C ATOM 992 O ILE A 68 -3.556 5.304 -2.109 1.00 0.00 O ATOM 993 CB ILE A 68 -5.394 5.658 0.512 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.893 4.727 1.619 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.179 5.432 -0.772 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.689 5.281 3.012 1.00 0.00 C ATOM 0 H ILE A 68 -3.623 6.541 2.030 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.679 4.372 0.281 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.549 6.688 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.954 4.531 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.377 3.770 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.241 5.589 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.839 6.133 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.020 4.412 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.066 4.568 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.626 5.451 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.228 6.223 3.111 1.00 0.00 H new ATOM 1008 N THR A 69 -3.167 7.290 -1.126 1.00 0.00 N ATOM 1009 CA THR A 69 -2.792 7.954 -2.368 1.00 0.00 C ATOM 1010 C THR A 69 -1.612 7.253 -3.032 1.00 0.00 C ATOM 1011 O THR A 69 -1.335 7.465 -4.213 1.00 0.00 O ATOM 1012 CB THR A 69 -2.428 9.431 -2.127 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.741 9.569 -0.878 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.675 10.303 -2.125 1.00 0.00 C ATOM 0 H THR A 69 -3.131 7.888 -0.301 1.00 0.00 H new ATOM 0 HA THR A 69 -3.658 7.904 -3.028 1.00 0.00 H new ATOM 0 HB THR A 69 -1.777 9.758 -2.937 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.512 10.511 -0.733 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.392 11.342 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.179 10.219 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.348 9.974 -1.333 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.920 6.418 -2.266 1.00 0.00 N ATOM 1023 CA TYR A 70 0.232 5.686 -2.779 1.00 0.00 C ATOM 1024 C TYR A 70 -0.116 4.220 -3.019 1.00 0.00 C ATOM 1025 O TYR A 70 0.671 3.470 -3.599 1.00 0.00 O ATOM 1026 CB TYR A 70 1.406 5.790 -1.803 1.00 0.00 C ATOM 1027 CG TYR A 70 2.039 7.163 -1.762 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.269 8.300 -1.555 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.409 7.322 -1.931 1.00 0.00 C ATOM 1030 CE1 TYR A 70 1.843 9.555 -1.517 1.00 0.00 C ATOM 1031 CE2 TYR A 70 3.993 8.573 -1.894 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.206 9.687 -1.687 1.00 0.00 C ATOM 1033 OH TYR A 70 3.782 10.936 -1.649 1.00 0.00 O ATOM 0 H TYR A 70 -1.137 6.231 -1.287 1.00 0.00 H new ATOM 0 HA TYR A 70 0.519 6.133 -3.731 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.061 5.528 -0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.164 5.058 -2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.202 8.201 -1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.028 6.452 -2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.229 10.428 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.060 8.679 -2.026 1.00 0.00 H new ATOM 0 HH TYR A 70 4.749 10.854 -1.785 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.299 3.819 -2.569 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.754 2.443 -2.735 1.00 0.00 C ATOM 1045 C LEU A 71 -2.879 2.361 -3.762 1.00 0.00 C ATOM 1046 O LEU A 71 -3.676 3.288 -3.899 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.230 1.878 -1.395 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.401 2.267 -0.170 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -2.275 2.307 1.074 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.242 1.300 0.020 1.00 0.00 C ATOM 0 H LEU A 71 -1.961 4.427 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.914 1.850 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.258 2.202 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.247 0.791 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.991 3.264 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.669 2.585 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.069 3.041 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.714 1.324 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.336 1.593 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.629 0.291 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.399 1.322 -0.862 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.937 1.244 -4.480 1.00 0.00 N ATOM 1063 CA GLU A 72 -3.966 1.041 -5.494 1.00 0.00 C ATOM 1064 C GLU A 72 -4.737 -0.251 -5.236 1.00 0.00 C ATOM 1065 O GLU A 72 -4.433 -1.295 -5.815 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.338 1.003 -6.889 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.278 0.487 -7.965 1.00 0.00 C ATOM 1068 CD GLU A 72 -3.882 0.948 -9.355 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -2.671 1.133 -9.596 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -4.784 1.122 -10.201 1.00 0.00 O ATOM 0 H GLU A 72 -2.285 0.466 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.663 1.877 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.008 2.007 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.450 0.372 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.292 -0.603 -7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.292 0.825 -7.749 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.735 -0.172 -4.363 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.550 -1.335 -4.027 1.00 0.00 C ATOM 1079 C LEU A 73 -6.850 -2.167 -5.270 1.00 0.00 C ATOM 1080 O LEU A 73 -7.679 -1.789 -6.098 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.858 -0.892 -3.368 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.719 0.012 -2.142 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -9.037 0.093 -1.387 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.610 -0.493 -1.231 1.00 0.00 C ATOM 0 H LEU A 73 -5.999 0.684 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.988 -1.952 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.459 -0.370 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.415 -1.783 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.456 1.014 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.919 0.740 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.807 0.501 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.331 -0.904 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.525 0.162 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.844 -1.505 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.666 -0.498 -1.776 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.173 -3.303 -5.392 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.368 -4.191 -6.533 1.00 0.00 C ATOM 1098 C LEU A 74 -7.752 -4.830 -6.494 1.00 0.00 C ATOM 1099 O LEU A 74 -8.411 -4.846 -5.455 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.292 -5.279 -6.547 1.00 0.00 C ATOM 1101 CG LEU A 74 -3.862 -4.812 -6.274 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.001 -5.975 -5.808 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.265 -4.168 -7.516 1.00 0.00 C ATOM 0 H LEU A 74 -5.484 -3.631 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.287 -3.597 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.555 -6.032 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.313 -5.770 -7.520 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.889 -4.066 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.987 -5.624 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.418 -6.392 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.980 -6.744 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.247 -3.842 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.251 -4.892 -8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.869 -3.308 -7.806 1.00 0.00 H new ATOM 1115 N ASN A 75 -8.187 -5.357 -7.634 1.00 0.00 N ATOM 1116 CA ASN A 75 -9.493 -5.999 -7.731 1.00 0.00 C ATOM 1117 C ASN A 75 -10.610 -5.010 -7.413 1.00 0.00 C ATOM 1118 O ASN A 75 -11.609 -5.367 -6.788 1.00 0.00 O ATOM 1119 CB ASN A 75 -9.568 -7.195 -6.779 1.00 0.00 C ATOM 1120 CG ASN A 75 -10.708 -8.135 -7.120 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -10.752 -8.706 -8.210 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -11.639 -8.299 -6.187 1.00 0.00 N ATOM 0 H ASN A 75 -7.654 -5.352 -8.504 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.623 -6.349 -8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.626 -7.743 -6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.690 -6.835 -5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.431 -8.918 -6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.562 -7.806 -5.298 1.00 0.00 H new ATOM 1129 N SER A 76 -10.434 -3.767 -7.847 1.00 0.00 N ATOM 1130 CA SER A 76 -11.425 -2.725 -7.606 1.00 0.00 C ATOM 1131 C SER A 76 -12.141 -2.347 -8.899 1.00 0.00 C ATOM 1132 O SER A 76 -11.611 -2.534 -9.993 1.00 0.00 O ATOM 1133 CB SER A 76 -10.759 -1.489 -6.998 1.00 0.00 C ATOM 1134 OG SER A 76 -9.870 -0.883 -7.920 1.00 0.00 O ATOM 0 H SER A 76 -9.614 -3.456 -8.368 1.00 0.00 H new ATOM 0 HA SER A 76 -12.162 -3.114 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.522 -0.771 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.216 -1.771 -6.096 1.00 0.00 H new ATOM 0 HG SER A 76 -8.947 -1.010 -7.616 1.00 0.00 H new ATOM 1140 N GLY A 77 -13.352 -1.813 -8.763 1.00 0.00 N ATOM 1141 CA GLY A 77 -14.122 -1.416 -9.927 1.00 0.00 C ATOM 1142 C GLY A 77 -14.364 -2.569 -10.882 1.00 0.00 C ATOM 1143 O GLY A 77 -13.581 -3.515 -10.958 1.00 0.00 O ATOM 0 H GLY A 77 -13.813 -1.649 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.080 -1.009 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.597 -0.618 -10.451 1.00 0.00 H new ATOM 1147 N PRO A 78 -15.474 -2.498 -11.632 1.00 0.00 N ATOM 1148 CA PRO A 78 -15.843 -3.535 -12.600 1.00 0.00 C ATOM 1149 C PRO A 78 -14.911 -3.561 -13.806 1.00 0.00 C ATOM 1150 O PRO A 78 -14.839 -2.597 -14.568 1.00 0.00 O ATOM 1151 CB PRO A 78 -17.258 -3.136 -13.025 1.00 0.00 C ATOM 1152 CG PRO A 78 -17.323 -1.666 -12.791 1.00 0.00 C ATOM 1153 CD PRO A 78 -16.453 -1.398 -11.595 1.00 0.00 C ATOM 0 HA PRO A 78 -15.778 -4.535 -12.171 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -17.440 -3.379 -14.072 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -18.011 -3.664 -12.440 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.968 -1.116 -13.663 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.348 -1.345 -12.607 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.967 -0.425 -11.662 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.029 -1.404 -10.670 1.00 0.00 H new ATOM 1161 N SER A 79 -14.200 -4.672 -13.975 1.00 0.00 N ATOM 1162 CA SER A 79 -13.269 -4.822 -15.088 1.00 0.00 C ATOM 1163 C SER A 79 -13.660 -6.006 -15.966 1.00 0.00 C ATOM 1164 O SER A 79 -13.961 -5.844 -17.148 1.00 0.00 O ATOM 1165 CB SER A 79 -11.843 -5.007 -14.566 1.00 0.00 C ATOM 1166 OG SER A 79 -10.900 -4.925 -15.620 1.00 0.00 O ATOM 0 H SER A 79 -14.251 -5.481 -13.356 1.00 0.00 H new ATOM 0 HA SER A 79 -13.312 -3.915 -15.691 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.624 -4.245 -13.818 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.756 -5.974 -14.071 1.00 0.00 H new ATOM 0 HG SER A 79 -9.996 -5.045 -15.260 1.00 0.00 H new ATOM 1172 N SER A 80 -13.652 -7.199 -15.378 1.00 0.00 N ATOM 1173 CA SER A 80 -14.001 -8.412 -16.107 1.00 0.00 C ATOM 1174 C SER A 80 -15.475 -8.757 -15.915 1.00 0.00 C ATOM 1175 O SER A 80 -15.931 -8.975 -14.793 1.00 0.00 O ATOM 1176 CB SER A 80 -13.128 -9.580 -15.644 1.00 0.00 C ATOM 1177 OG SER A 80 -11.923 -9.643 -16.388 1.00 0.00 O ATOM 0 H SER A 80 -13.408 -7.350 -14.399 1.00 0.00 H new ATOM 0 HA SER A 80 -13.823 -8.232 -17.167 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.899 -9.469 -14.584 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.677 -10.515 -15.755 1.00 0.00 H new ATOM 0 HG SER A 80 -11.382 -10.397 -16.072 1.00 0.00 H new ATOM 1183 N GLY A 81 -16.214 -8.803 -17.019 1.00 0.00 N ATOM 1184 CA GLY A 81 -17.629 -9.121 -16.951 1.00 0.00 C ATOM 1185 C GLY A 81 -18.094 -9.949 -18.132 1.00 0.00 C ATOM 1186 O GLY A 81 -18.528 -11.089 -17.967 1.00 0.00 O ATOM 0 H GLY A 81 -15.859 -8.626 -17.959 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.832 -9.664 -16.028 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.205 -8.196 -16.910 1.00 0.00 H new TER 1190 GLY A 81