USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 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 GLN : amide:sc= -1.82 K(o=-12,f=-8.9) USER MOD Set 1.2: A 38 CYS SG : rot -30:sc= -10.1! USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0.144 USER MOD Set 2.2: A 11 GLN : amide:sc= -0.799 K(o=-0.66,f=0.12) USER MOD Single : A 0 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.752 USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00162) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 171:sc=-0.00157 (180deg=-0.0133) USER MOD Single : A -3 LYS N :NH3+ 179:sc= -0.0132 (180deg=-0.0146) USER MOD Single : A -3 LYS NZ :NH3+ 129:sc= -0.216 (180deg=-1.01) USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= -1.22! (180deg=-2.7!) USER MOD Single : A 24 GLN : amide:sc= -2.86! C(o=-2.9!,f=-5.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.1 K(o=-2.1,f=-9.4!) USER MOD Single : A 28 SER OG : rot 180:sc= -1.02 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.664 (180deg=0.578) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= 0.00337 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0826) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.75 USER MOD Single : A 44 GLN : amide:sc= -0.566 K(o=-0.57,f=-0.045) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A -3 -3.327 10.945 12.064 1.00 0.00 N ATOM 2 CA LYS A -3 -2.797 12.310 12.316 1.00 0.00 C ATOM 3 C LYS A -3 -1.952 12.799 11.144 1.00 0.00 C ATOM 4 O LYS A -3 -2.120 13.922 10.670 1.00 0.00 O ATOM 5 CB LYS A -3 -1.960 12.277 13.598 1.00 0.00 C ATOM 6 CG LYS A -3 -2.556 13.091 14.735 1.00 0.00 C ATOM 7 CD LYS A -3 -3.874 12.502 15.209 1.00 0.00 C ATOM 8 CE LYS A -3 -3.658 11.439 16.275 1.00 0.00 C ATOM 9 NZ LYS A -3 -2.936 11.980 17.460 1.00 0.00 N ATOM 0 H1 LYS A -3 -3.884 10.632 12.885 1.00 0.00 H new ATOM 0 H2 LYS A -3 -3.933 10.959 11.219 1.00 0.00 H new ATOM 0 H3 LYS A -3 -2.535 10.288 11.911 1.00 0.00 H new ATOM 0 HA LYS A -3 -3.630 13.004 12.429 1.00 0.00 H new ATOM 0 HB2 LYS A -3 -1.848 11.242 13.923 1.00 0.00 H new ATOM 0 HB3 LYS A -3 -0.960 12.652 13.379 1.00 0.00 H new ATOM 0 HG2 LYS A -3 -1.852 13.127 15.566 1.00 0.00 H new ATOM 0 HG3 LYS A -3 -2.713 14.118 14.406 1.00 0.00 H new ATOM 0 HD2 LYS A -3 -4.506 13.296 15.608 1.00 0.00 H new ATOM 0 HD3 LYS A -3 -4.405 12.067 14.362 1.00 0.00 H new ATOM 0 HE2 LYS A -3 -4.622 11.038 16.589 1.00 0.00 H new ATOM 0 HE3 LYS A -3 -3.091 10.610 15.852 1.00 0.00 H new ATOM 0 HZ1 LYS A -3 -3.459 11.738 18.326 1.00 0.00 H new ATOM 0 HZ2 LYS A -3 -1.983 11.567 17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A -3 -2.861 13.014 17.379 1.00 0.00 H new ATOM 25 N LYS A -2 -1.042 11.947 10.682 1.00 0.00 N ATOM 26 CA LYS A -2 -0.170 12.292 9.565 1.00 0.00 C ATOM 27 C LYS A -2 0.698 13.500 9.905 1.00 0.00 C ATOM 28 O LYS A -2 0.221 14.634 9.917 1.00 0.00 O ATOM 29 CB LYS A -2 -1.000 12.581 8.312 1.00 0.00 C ATOM 30 CG LYS A -2 -0.217 12.444 7.018 1.00 0.00 C ATOM 31 CD LYS A -2 0.528 13.725 6.679 1.00 0.00 C ATOM 32 CE LYS A -2 1.127 13.669 5.284 1.00 0.00 C ATOM 33 NZ LYS A -2 2.570 13.300 5.314 1.00 0.00 N ATOM 0 H LYS A -2 -0.889 11.013 11.064 1.00 0.00 H new ATOM 0 HA LYS A -2 0.483 11.441 9.371 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -1.851 11.901 8.285 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -1.402 13.592 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A -2 0.493 11.622 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -0.897 12.192 6.205 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -0.153 14.573 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A -2 1.320 13.891 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A -2 0.579 12.944 4.682 1.00 0.00 H new ATOM 0 HE3 LYS A -2 1.010 14.638 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 2.903 13.124 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 3.119 14.078 5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 2.697 12.440 5.886 1.00 0.00 H new ATOM 47 N GLU A -1 1.973 13.247 10.180 1.00 0.00 N ATOM 48 CA GLU A -1 2.907 14.314 10.521 1.00 0.00 C ATOM 49 C GLU A -1 3.716 14.739 9.300 1.00 0.00 C ATOM 50 O GLU A -1 3.483 15.806 8.729 1.00 0.00 O ATOM 51 CB GLU A -1 3.847 13.859 11.641 1.00 0.00 C ATOM 52 CG GLU A -1 3.697 14.662 12.923 1.00 0.00 C ATOM 53 CD GLU A -1 4.994 15.312 13.362 1.00 0.00 C ATOM 54 OE1 GLU A -1 5.619 16.008 12.534 1.00 0.00 O ATOM 55 OE2 GLU A -1 5.385 15.127 14.534 1.00 0.00 O ATOM 0 H GLU A -1 2.383 12.313 10.173 1.00 0.00 H new ATOM 0 HA GLU A -1 2.331 15.172 10.868 1.00 0.00 H new ATOM 0 HB2 GLU A -1 3.660 12.807 11.857 1.00 0.00 H new ATOM 0 HB3 GLU A -1 4.877 13.935 11.293 1.00 0.00 H new ATOM 0 HG2 GLU A -1 2.940 15.433 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A -1 3.337 14.007 13.717 1.00 0.00 H new ATOM 62 N LYS A 0 4.668 13.901 8.904 1.00 0.00 N ATOM 63 CA LYS A 0 5.512 14.190 7.751 1.00 0.00 C ATOM 64 C LYS A 0 6.261 12.941 7.298 1.00 0.00 C ATOM 65 O LYS A 0 7.242 12.534 7.921 1.00 0.00 O ATOM 66 CB LYS A 0 6.503 15.307 8.087 1.00 0.00 C ATOM 67 CG LYS A 0 6.434 16.488 7.133 1.00 0.00 C ATOM 68 CD LYS A 0 6.783 17.792 7.834 1.00 0.00 C ATOM 69 CE LYS A 0 5.681 18.223 8.789 1.00 0.00 C ATOM 70 NZ LYS A 0 4.777 19.233 8.174 1.00 0.00 N ATOM 0 H LYS A 0 4.874 13.015 9.365 1.00 0.00 H new ATOM 0 HA LYS A 0 4.871 14.519 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 0 6.312 15.658 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 0 7.514 14.900 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 0 7.120 16.326 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 0 5.432 16.558 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 0 7.716 17.672 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 0 6.948 18.573 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 0 5.100 17.351 9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 0 6.126 18.637 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 0 4.040 19.501 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 0 5.326 20.076 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 0 4.332 18.829 7.325 1.00 0.00 H new ATOM 84 N SER A 1 5.793 12.338 6.210 1.00 0.00 N ATOM 85 CA SER A 1 6.418 11.135 5.672 1.00 0.00 C ATOM 86 C SER A 1 5.984 10.897 4.228 1.00 0.00 C ATOM 87 O SER A 1 4.979 10.232 3.975 1.00 0.00 O ATOM 88 CB SER A 1 6.058 9.922 6.530 1.00 0.00 C ATOM 89 OG SER A 1 5.700 10.312 7.844 1.00 0.00 O ATOM 0 H SER A 1 4.982 12.663 5.683 1.00 0.00 H new ATOM 0 HA SER A 1 7.499 11.277 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.231 9.381 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.905 9.237 6.569 1.00 0.00 H new ATOM 0 HG SER A 1 5.473 9.517 8.371 1.00 0.00 H new ATOM 95 N PRO A 2 6.738 11.440 3.256 1.00 0.00 N ATOM 96 CA PRO A 2 6.423 11.281 1.832 1.00 0.00 C ATOM 97 C PRO A 2 6.625 9.848 1.352 1.00 0.00 C ATOM 98 O PRO A 2 5.772 9.287 0.663 1.00 0.00 O ATOM 99 CB PRO A 2 7.410 12.223 1.139 1.00 0.00 C ATOM 100 CG PRO A 2 8.551 12.343 2.088 1.00 0.00 C ATOM 101 CD PRO A 2 7.953 12.250 3.465 1.00 0.00 C ATOM 0 HA PRO A 2 5.379 11.508 1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.734 11.820 0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.957 13.194 0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.280 11.550 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.074 13.290 1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.637 11.775 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.715 13.235 3.867 1.00 0.00 H new ATOM 109 N LYS A 3 7.759 9.259 1.719 1.00 0.00 N ATOM 110 CA LYS A 3 8.075 7.890 1.326 1.00 0.00 C ATOM 111 C LYS A 3 8.001 7.724 -0.189 1.00 0.00 C ATOM 112 O LYS A 3 7.666 6.651 -0.690 1.00 0.00 O ATOM 113 CB LYS A 3 7.118 6.909 2.005 1.00 0.00 C ATOM 114 CG LYS A 3 7.580 6.467 3.385 1.00 0.00 C ATOM 115 CD LYS A 3 7.152 5.039 3.683 1.00 0.00 C ATOM 116 CE LYS A 3 7.505 4.641 5.108 1.00 0.00 C ATOM 117 NZ LYS A 3 8.806 3.919 5.177 1.00 0.00 N ATOM 0 H LYS A 3 8.475 9.709 2.289 1.00 0.00 H new ATOM 0 HA LYS A 3 9.094 7.675 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.135 7.373 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.001 6.030 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.665 6.544 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.168 7.137 4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.077 4.940 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.636 4.358 2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.551 5.533 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.716 4.008 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.027 3.695 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.743 3.038 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.558 4.520 4.782 1.00 0.00 H new ATOM 131 N GLY A 4 8.316 8.794 -0.911 1.00 0.00 N ATOM 132 CA GLY A 4 8.280 8.749 -2.361 1.00 0.00 C ATOM 133 C GLY A 4 9.649 8.952 -2.978 1.00 0.00 C ATOM 134 O GLY A 4 9.999 10.063 -3.377 1.00 0.00 O ATOM 0 H GLY A 4 8.596 9.692 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.878 7.788 -2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.601 9.518 -2.729 1.00 0.00 H new ATOM 138 N LYS A 5 10.426 7.877 -3.056 1.00 0.00 N ATOM 139 CA LYS A 5 11.766 7.943 -3.628 1.00 0.00 C ATOM 140 C LYS A 5 12.118 6.640 -4.339 1.00 0.00 C ATOM 141 O LYS A 5 12.610 5.697 -3.721 1.00 0.00 O ATOM 142 CB LYS A 5 12.795 8.238 -2.536 1.00 0.00 C ATOM 143 CG LYS A 5 12.617 7.390 -1.287 1.00 0.00 C ATOM 144 CD LYS A 5 13.956 6.982 -0.694 1.00 0.00 C ATOM 145 CE LYS A 5 13.796 6.418 0.708 1.00 0.00 C ATOM 146 NZ LYS A 5 13.821 4.928 0.713 1.00 0.00 N ATOM 0 H LYS A 5 10.151 6.950 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 5 11.783 8.751 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.795 8.074 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.730 9.291 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.045 7.948 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.039 6.498 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.427 6.237 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.621 7.845 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.595 6.797 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.856 6.767 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.709 4.582 1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.043 4.566 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.728 4.595 0.330 1.00 0.00 H new ATOM 160 N SER A 6 11.862 6.599 -5.644 1.00 0.00 N ATOM 161 CA SER A 6 12.150 5.415 -6.447 1.00 0.00 C ATOM 162 C SER A 6 11.291 4.233 -6.009 1.00 0.00 C ATOM 163 O SER A 6 10.294 3.906 -6.654 1.00 0.00 O ATOM 164 CB SER A 6 13.634 5.051 -6.347 1.00 0.00 C ATOM 165 OG SER A 6 14.370 5.608 -7.423 1.00 0.00 O ATOM 0 H SER A 6 11.455 7.374 -6.168 1.00 0.00 H new ATOM 0 HA SER A 6 11.910 5.646 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.037 5.412 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.747 3.967 -6.348 1.00 0.00 H new ATOM 0 HG SER A 6 15.315 5.362 -7.335 1.00 0.00 H new ATOM 171 N SER A 7 11.683 3.594 -4.912 1.00 0.00 N ATOM 172 CA SER A 7 10.946 2.447 -4.392 1.00 0.00 C ATOM 173 C SER A 7 11.349 2.144 -2.953 1.00 0.00 C ATOM 174 O SER A 7 12.193 2.829 -2.375 1.00 0.00 O ATOM 175 CB SER A 7 11.191 1.219 -5.271 1.00 0.00 C ATOM 176 OG SER A 7 12.482 0.677 -5.044 1.00 0.00 O ATOM 0 H SER A 7 12.506 3.850 -4.366 1.00 0.00 H new ATOM 0 HA SER A 7 9.884 2.693 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.434 0.463 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.088 1.493 -6.321 1.00 0.00 H new ATOM 0 HG SER A 7 12.613 -0.108 -5.617 1.00 0.00 H new ATOM 182 N ILE A 8 10.738 1.111 -2.380 1.00 0.00 N ATOM 183 CA ILE A 8 11.030 0.711 -1.009 1.00 0.00 C ATOM 184 C ILE A 8 11.732 -0.644 -0.975 1.00 0.00 C ATOM 185 O ILE A 8 11.785 -1.353 -1.980 1.00 0.00 O ATOM 186 CB ILE A 8 9.738 0.650 -0.154 1.00 0.00 C ATOM 187 CG1 ILE A 8 10.052 0.936 1.316 1.00 0.00 C ATOM 188 CG2 ILE A 8 9.043 -0.702 -0.293 1.00 0.00 C ATOM 189 CD1 ILE A 8 8.834 1.318 2.129 1.00 0.00 C ATOM 0 H ILE A 8 10.036 0.535 -2.846 1.00 0.00 H new ATOM 0 HA ILE A 8 11.693 1.465 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 8 9.059 1.418 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.513 0.053 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.785 1.741 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.141 -0.712 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.776 -0.868 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.716 -1.493 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.130 1.507 3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.385 2.218 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.109 0.505 2.102 1.00 0.00 H new ATOM 201 N SER A 9 12.255 -1.005 0.191 1.00 0.00 N ATOM 202 CA SER A 9 12.939 -2.284 0.367 1.00 0.00 C ATOM 203 C SER A 9 12.025 -3.428 -0.076 1.00 0.00 C ATOM 204 O SER A 9 10.906 -3.182 -0.526 1.00 0.00 O ATOM 205 CB SER A 9 13.339 -2.454 1.837 1.00 0.00 C ATOM 206 OG SER A 9 13.042 -1.289 2.589 1.00 0.00 O ATOM 0 H SER A 9 12.219 -0.429 1.032 1.00 0.00 H new ATOM 0 HA SER A 9 13.839 -2.303 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.813 -3.308 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.405 -2.671 1.903 1.00 0.00 H new ATOM 0 HG SER A 9 13.306 -1.426 3.523 1.00 0.00 H new ATOM 212 N PRO A 10 12.457 -4.699 0.057 1.00 0.00 N ATOM 213 CA PRO A 10 11.620 -5.837 -0.327 1.00 0.00 C ATOM 214 C PRO A 10 10.243 -5.740 0.315 1.00 0.00 C ATOM 215 O PRO A 10 9.268 -6.305 -0.178 1.00 0.00 O ATOM 216 CB PRO A 10 12.382 -7.060 0.201 1.00 0.00 C ATOM 217 CG PRO A 10 13.425 -6.512 1.117 1.00 0.00 C ATOM 218 CD PRO A 10 13.747 -5.138 0.604 1.00 0.00 C ATOM 0 HA PRO A 10 11.449 -5.883 -1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.714 -7.741 0.729 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.833 -7.624 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.060 -6.470 2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.312 -7.145 1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.098 -4.479 1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.526 -5.161 -0.158 1.00 0.00 H new ATOM 226 N GLN A 11 10.177 -4.993 1.417 1.00 0.00 N ATOM 227 CA GLN A 11 8.933 -4.782 2.138 1.00 0.00 C ATOM 228 C GLN A 11 7.819 -4.360 1.189 1.00 0.00 C ATOM 229 O GLN A 11 6.648 -4.577 1.470 1.00 0.00 O ATOM 230 CB GLN A 11 9.129 -3.712 3.211 1.00 0.00 C ATOM 231 CG GLN A 11 10.099 -4.117 4.310 1.00 0.00 C ATOM 232 CD GLN A 11 10.346 -3.003 5.309 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.422 -3.242 6.515 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.472 -1.778 4.813 1.00 0.00 N ATOM 0 H GLN A 11 10.982 -4.522 1.829 1.00 0.00 H new ATOM 0 HA GLN A 11 8.647 -5.722 2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.490 -2.799 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.163 -3.479 3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.706 -4.989 4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.047 -4.415 3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.402 -1.625 3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.639 -0.989 5.438 1.00 0.00 H new ATOM 243 N ALA A 12 8.181 -3.762 0.057 1.00 0.00 N ATOM 244 CA ALA A 12 7.181 -3.337 -0.915 1.00 0.00 C ATOM 245 C ALA A 12 6.152 -4.447 -1.122 1.00 0.00 C ATOM 246 O ALA A 12 4.952 -4.250 -0.926 1.00 0.00 O ATOM 247 CB ALA A 12 7.847 -2.970 -2.234 1.00 0.00 C ATOM 0 H ALA A 12 9.146 -3.563 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 12 6.669 -2.453 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.088 -2.655 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.553 -2.155 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.378 -3.837 -2.627 1.00 0.00 H new ATOM 253 N ARG A 13 6.650 -5.621 -1.493 1.00 0.00 N ATOM 254 CA ARG A 13 5.802 -6.785 -1.708 1.00 0.00 C ATOM 255 C ARG A 13 5.476 -7.468 -0.380 1.00 0.00 C ATOM 256 O ARG A 13 4.377 -7.984 -0.193 1.00 0.00 O ATOM 257 CB ARG A 13 6.496 -7.777 -2.646 1.00 0.00 C ATOM 258 CG ARG A 13 7.667 -8.507 -2.004 1.00 0.00 C ATOM 259 CD ARG A 13 8.742 -8.854 -3.020 1.00 0.00 C ATOM 260 NE ARG A 13 9.145 -10.255 -2.930 1.00 0.00 N ATOM 261 CZ ARG A 13 8.414 -11.268 -3.388 1.00 0.00 C ATOM 262 NH1 ARG A 13 7.247 -11.039 -3.979 1.00 0.00 N ATOM 263 NH2 ARG A 13 8.849 -12.513 -3.257 1.00 0.00 N ATOM 0 H ARG A 13 7.643 -5.791 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 13 4.871 -6.451 -2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.766 -8.510 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.851 -7.243 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.096 -7.885 -1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.309 -9.420 -1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.373 -8.646 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.611 -8.215 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 13 10.040 -10.470 -2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.907 -10.083 -4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.690 -11.819 -4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.745 -12.695 -2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.288 -13.289 -3.608 1.00 0.00 H new ATOM 277 N ALA A 14 6.449 -7.474 0.532 1.00 0.00 N ATOM 278 CA ALA A 14 6.278 -8.103 1.839 1.00 0.00 C ATOM 279 C ALA A 14 5.226 -7.380 2.674 1.00 0.00 C ATOM 280 O ALA A 14 4.255 -7.984 3.126 1.00 0.00 O ATOM 281 CB ALA A 14 7.606 -8.142 2.580 1.00 0.00 C ATOM 0 H ALA A 14 7.365 -7.049 0.388 1.00 0.00 H new ATOM 0 HA ALA A 14 5.929 -9.123 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.466 -8.613 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.330 -8.715 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.975 -7.126 2.719 1.00 0.00 H new ATOM 287 N PHE A 15 5.419 -6.080 2.871 1.00 0.00 N ATOM 288 CA PHE A 15 4.481 -5.281 3.640 1.00 0.00 C ATOM 289 C PHE A 15 3.087 -5.421 3.052 1.00 0.00 C ATOM 290 O PHE A 15 2.138 -5.758 3.754 1.00 0.00 O ATOM 291 CB PHE A 15 4.935 -3.807 3.697 1.00 0.00 C ATOM 292 CG PHE A 15 4.287 -2.884 2.690 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.939 -2.573 2.778 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.030 -2.326 1.660 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.345 -1.728 1.860 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.440 -1.479 0.739 1.00 0.00 C ATOM 297 CZ PHE A 15 3.096 -1.182 0.840 1.00 0.00 C ATOM 0 H PHE A 15 6.218 -5.560 2.507 1.00 0.00 H new ATOM 0 HA PHE A 15 4.455 -5.646 4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.735 -3.422 4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.015 -3.772 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.345 -2.997 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.082 -2.556 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.293 -1.495 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.030 -1.051 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.633 -0.523 0.121 1.00 0.00 H new ATOM 307 N LEU A 16 2.975 -5.186 1.751 1.00 0.00 N ATOM 308 CA LEU A 16 1.696 -5.310 1.072 1.00 0.00 C ATOM 309 C LEU A 16 1.215 -6.753 1.128 1.00 0.00 C ATOM 310 O LEU A 16 0.016 -7.016 1.221 1.00 0.00 O ATOM 311 CB LEU A 16 1.812 -4.849 -0.381 1.00 0.00 C ATOM 312 CG LEU A 16 0.583 -5.131 -1.249 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.284 -3.887 -1.363 1.00 0.00 C ATOM 314 CD2 LEU A 16 1.004 -5.628 -2.625 1.00 0.00 C ATOM 0 H LEU A 16 3.751 -4.910 1.149 1.00 0.00 H new ATOM 0 HA LEU A 16 0.970 -4.674 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.007 -3.777 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.677 -5.335 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.007 -5.914 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.153 -4.105 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.614 -3.581 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.293 -3.082 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.117 -5.823 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.616 -4.870 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.581 -6.547 -2.519 1.00 0.00 H new ATOM 326 N GLU A 17 2.161 -7.688 1.076 1.00 0.00 N ATOM 327 CA GLU A 17 1.832 -9.106 1.130 1.00 0.00 C ATOM 328 C GLU A 17 0.953 -9.398 2.334 1.00 0.00 C ATOM 329 O GLU A 17 -0.206 -9.780 2.189 1.00 0.00 O ATOM 330 CB GLU A 17 3.109 -9.953 1.189 1.00 0.00 C ATOM 331 CG GLU A 17 3.456 -10.622 -0.130 1.00 0.00 C ATOM 332 CD GLU A 17 2.794 -11.976 -0.290 1.00 0.00 C ATOM 333 OE1 GLU A 17 1.749 -12.207 0.354 1.00 0.00 O ATOM 334 OE2 GLU A 17 3.320 -12.806 -1.062 1.00 0.00 O ATOM 0 H GLU A 17 3.158 -7.488 0.997 1.00 0.00 H new ATOM 0 HA GLU A 17 1.285 -9.367 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.941 -9.320 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.992 -10.719 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.153 -9.974 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.537 -10.740 -0.200 1.00 0.00 H new ATOM 341 N GLN A 18 1.512 -9.204 3.520 1.00 0.00 N ATOM 342 CA GLN A 18 0.780 -9.441 4.756 1.00 0.00 C ATOM 343 C GLN A 18 -0.448 -8.539 4.841 1.00 0.00 C ATOM 344 O GLN A 18 -1.475 -8.932 5.395 1.00 0.00 O ATOM 345 CB GLN A 18 1.686 -9.233 5.974 1.00 0.00 C ATOM 346 CG GLN A 18 2.720 -8.130 5.802 1.00 0.00 C ATOM 347 CD GLN A 18 2.795 -7.207 7.002 1.00 0.00 C ATOM 348 OE1 GLN A 18 2.901 -7.661 8.141 1.00 0.00 O ATOM 349 NE2 GLN A 18 2.739 -5.906 6.750 1.00 0.00 N ATOM 0 H GLN A 18 2.471 -8.883 3.652 1.00 0.00 H new ATOM 0 HA GLN A 18 0.443 -10.478 4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.065 -9.001 6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.202 -10.168 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.699 -8.578 5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.478 -7.546 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.651 -5.576 5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.784 -5.235 7.517 1.00 0.00 H new ATOM 358 N VAL A 19 -0.351 -7.337 4.273 1.00 0.00 N ATOM 359 CA VAL A 19 -1.478 -6.407 4.280 1.00 0.00 C ATOM 360 C VAL A 19 -2.679 -7.042 3.587 1.00 0.00 C ATOM 361 O VAL A 19 -3.686 -7.349 4.225 1.00 0.00 O ATOM 362 CB VAL A 19 -1.122 -5.073 3.585 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.335 -4.159 3.495 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.007 -4.373 4.324 1.00 0.00 C ATOM 0 H VAL A 19 0.487 -6.988 3.807 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.723 -6.190 5.320 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.793 -5.302 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.054 -3.229 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.120 -4.651 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.702 -3.941 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.245 -3.436 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.302 -4.167 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.889 -5.014 4.333 1.00 0.00 H new ATOM 374 N PHE A 20 -2.559 -7.254 2.279 1.00 0.00 N ATOM 375 CA PHE A 20 -3.628 -7.873 1.504 1.00 0.00 C ATOM 376 C PHE A 20 -3.930 -9.284 2.016 1.00 0.00 C ATOM 377 O PHE A 20 -4.987 -9.843 1.726 1.00 0.00 O ATOM 378 CB PHE A 20 -3.239 -7.927 0.025 1.00 0.00 C ATOM 379 CG PHE A 20 -4.284 -8.545 -0.862 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.421 -9.923 -0.938 1.00 0.00 C ATOM 381 CD2 PHE A 20 -5.123 -7.749 -1.625 1.00 0.00 C ATOM 382 CE1 PHE A 20 -5.375 -10.494 -1.757 1.00 0.00 C ATOM 383 CE2 PHE A 20 -6.079 -8.316 -2.448 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.205 -9.690 -2.512 1.00 0.00 C ATOM 0 H PHE A 20 -1.733 -7.006 1.735 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.527 -7.267 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.035 -6.915 -0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.312 -8.492 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.774 -10.557 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.029 -6.674 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.472 -11.569 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.726 -7.685 -3.040 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.952 -10.135 -3.152 1.00 0.00 H new ATOM 394 N ARG A 21 -3.002 -9.856 2.780 1.00 0.00 N ATOM 395 CA ARG A 21 -3.187 -11.196 3.327 1.00 0.00 C ATOM 396 C ARG A 21 -4.144 -11.166 4.512 1.00 0.00 C ATOM 397 O ARG A 21 -4.963 -12.069 4.686 1.00 0.00 O ATOM 398 CB ARG A 21 -1.847 -11.791 3.763 1.00 0.00 C ATOM 399 CG ARG A 21 -1.655 -13.237 3.336 1.00 0.00 C ATOM 400 CD ARG A 21 -0.447 -13.397 2.427 1.00 0.00 C ATOM 401 NE ARG A 21 0.231 -14.674 2.633 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.153 -15.818 2.070 1.00 0.00 C ATOM 403 NH1 ARG A 21 -1.212 -15.851 1.270 1.00 0.00 N ATOM 404 NH2 ARG A 21 0.523 -16.932 2.310 1.00 0.00 N ATOM 0 H ARG A 21 -2.118 -9.414 3.033 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.614 -11.822 2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.039 -11.188 3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.767 -11.728 4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.532 -13.864 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.549 -13.586 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.764 -13.319 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.253 -12.582 2.609 1.00 0.00 H new ATOM 0 HE ARG A 21 1.047 -14.691 3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.737 -14.997 1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.501 -16.731 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.336 -16.912 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.230 -17.809 1.880 1.00 0.00 H new ATOM 418 N ARG A 22 -4.037 -10.120 5.323 1.00 0.00 N ATOM 419 CA ARG A 22 -4.893 -9.969 6.493 1.00 0.00 C ATOM 420 C ARG A 22 -6.358 -9.932 6.079 1.00 0.00 C ATOM 421 O ARG A 22 -7.222 -10.496 6.751 1.00 0.00 O ATOM 422 CB ARG A 22 -4.535 -8.688 7.244 1.00 0.00 C ATOM 423 CG ARG A 22 -3.324 -8.829 8.152 1.00 0.00 C ATOM 424 CD ARG A 22 -2.825 -7.474 8.631 1.00 0.00 C ATOM 425 NE ARG A 22 -3.920 -6.608 9.064 1.00 0.00 N ATOM 426 CZ ARG A 22 -4.603 -6.785 10.193 1.00 0.00 C ATOM 427 NH1 ARG A 22 -4.306 -7.791 11.006 1.00 0.00 N ATOM 428 NH2 ARG A 22 -5.586 -5.952 10.510 1.00 0.00 N ATOM 0 H ARG A 22 -3.365 -9.364 5.192 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.735 -10.824 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.345 -7.895 6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.392 -8.376 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.583 -9.447 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.525 -9.344 7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.127 -7.616 9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.273 -6.986 7.827 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.176 -5.822 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.551 -8.434 10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.833 -7.921 11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.818 -5.177 9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.110 -6.087 11.375 1.00 0.00 H new ATOM 442 N LYS A 23 -6.624 -9.266 4.964 1.00 0.00 N ATOM 443 CA LYS A 23 -7.982 -9.151 4.445 1.00 0.00 C ATOM 444 C LYS A 23 -7.977 -8.549 3.038 1.00 0.00 C ATOM 445 O LYS A 23 -7.043 -8.769 2.269 1.00 0.00 O ATOM 446 CB LYS A 23 -8.844 -8.314 5.395 1.00 0.00 C ATOM 447 CG LYS A 23 -8.492 -6.834 5.398 1.00 0.00 C ATOM 448 CD LYS A 23 -9.604 -5.975 5.988 1.00 0.00 C ATOM 449 CE LYS A 23 -10.982 -6.353 5.460 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.609 -7.440 6.264 1.00 0.00 N ATOM 0 H LYS A 23 -5.916 -8.796 4.400 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.413 -10.150 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.892 -8.428 5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.739 -8.705 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.577 -6.682 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.288 -6.509 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.596 -6.073 7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.407 -4.927 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.628 -5.475 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.897 -6.673 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.842 -8.241 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.945 -7.755 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.478 -7.084 6.711 1.00 0.00 H new ATOM 464 N GLN A 24 -9.019 -7.792 2.697 1.00 0.00 N ATOM 465 CA GLN A 24 -9.113 -7.179 1.379 1.00 0.00 C ATOM 466 C GLN A 24 -9.678 -5.767 1.473 1.00 0.00 C ATOM 467 O GLN A 24 -9.111 -4.817 0.935 1.00 0.00 O ATOM 468 CB GLN A 24 -10.009 -8.015 0.458 1.00 0.00 C ATOM 469 CG GLN A 24 -9.833 -9.519 0.606 1.00 0.00 C ATOM 470 CD GLN A 24 -8.880 -10.095 -0.421 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.666 -9.508 -1.479 1.00 0.00 O ATOM 472 NE2 GLN A 24 -8.307 -11.252 -0.113 1.00 0.00 N ATOM 0 H GLN A 24 -9.806 -7.591 3.315 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.106 -7.134 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.050 -7.762 0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.806 -7.738 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.462 -9.741 1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.803 -10.006 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.515 -11.703 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.659 -11.690 -0.767 1.00 0.00 H new ATOM 481 N SER A 25 -10.814 -5.646 2.141 1.00 0.00 N ATOM 482 CA SER A 25 -11.484 -4.361 2.290 1.00 0.00 C ATOM 483 C SER A 25 -10.823 -3.481 3.350 1.00 0.00 C ATOM 484 O SER A 25 -11.394 -3.244 4.414 1.00 0.00 O ATOM 485 CB SER A 25 -12.957 -4.580 2.637 1.00 0.00 C ATOM 486 OG SER A 25 -13.689 -3.370 2.543 1.00 0.00 O ATOM 0 H SER A 25 -11.294 -6.425 2.591 1.00 0.00 H new ATOM 0 HA SER A 25 -11.402 -3.838 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.386 -5.321 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.040 -4.981 3.647 1.00 0.00 H new ATOM 0 HG SER A 25 -14.628 -3.537 2.768 1.00 0.00 H new ATOM 492 N LEU A 26 -9.629 -2.976 3.044 1.00 0.00 N ATOM 493 CA LEU A 26 -8.919 -2.099 3.971 1.00 0.00 C ATOM 494 C LEU A 26 -9.576 -0.720 3.985 1.00 0.00 C ATOM 495 O LEU A 26 -9.449 0.045 3.029 1.00 0.00 O ATOM 496 CB LEU A 26 -7.442 -1.963 3.573 1.00 0.00 C ATOM 497 CG LEU A 26 -6.601 -3.249 3.627 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.184 -2.941 4.097 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.242 -4.292 4.530 1.00 0.00 C ATOM 0 H LEU A 26 -9.137 -3.157 2.169 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.970 -2.539 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.396 -1.566 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.978 -1.223 4.226 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.556 -3.660 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.603 -3.863 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.715 -2.241 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.219 -2.499 5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.623 -5.189 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.330 -3.893 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.233 -4.542 4.151 1.00 0.00 H new ATOM 511 N ASN A 27 -10.296 -0.413 5.062 1.00 0.00 N ATOM 512 CA ASN A 27 -10.985 0.872 5.175 1.00 0.00 C ATOM 513 C ASN A 27 -10.077 1.949 5.772 1.00 0.00 C ATOM 514 O ASN A 27 -8.929 1.683 6.119 1.00 0.00 O ATOM 515 CB ASN A 27 -12.266 0.719 6.008 1.00 0.00 C ATOM 516 CG ASN A 27 -12.012 0.738 7.505 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.127 1.780 8.150 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.668 -0.415 8.064 1.00 0.00 N ATOM 0 H ASN A 27 -10.418 -1.031 5.864 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.256 1.194 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.956 1.523 5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.756 -0.217 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.487 -0.462 9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.584 -1.255 7.491 1.00 0.00 H new ATOM 525 N SER A 28 -10.605 3.166 5.880 1.00 0.00 N ATOM 526 CA SER A 28 -9.850 4.296 6.425 1.00 0.00 C ATOM 527 C SER A 28 -9.157 3.925 7.734 1.00 0.00 C ATOM 528 O SER A 28 -8.107 4.473 8.071 1.00 0.00 O ATOM 529 CB SER A 28 -10.779 5.490 6.651 1.00 0.00 C ATOM 530 OG SER A 28 -10.809 6.334 5.514 1.00 0.00 O ATOM 0 H SER A 28 -11.557 3.397 5.596 1.00 0.00 H new ATOM 0 HA SER A 28 -9.083 4.565 5.699 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.786 5.135 6.871 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.444 6.057 7.520 1.00 0.00 H new ATOM 0 HG SER A 28 -11.411 7.089 5.683 1.00 0.00 H new ATOM 536 N LYS A 29 -9.750 2.995 8.468 1.00 0.00 N ATOM 537 CA LYS A 29 -9.192 2.549 9.737 1.00 0.00 C ATOM 538 C LYS A 29 -8.031 1.594 9.508 1.00 0.00 C ATOM 539 O LYS A 29 -6.967 1.739 10.106 1.00 0.00 O ATOM 540 CB LYS A 29 -10.272 1.862 10.568 1.00 0.00 C ATOM 541 CG LYS A 29 -11.199 2.829 11.287 1.00 0.00 C ATOM 542 CD LYS A 29 -10.420 3.819 12.139 1.00 0.00 C ATOM 543 CE LYS A 29 -10.382 5.197 11.497 1.00 0.00 C ATOM 544 NZ LYS A 29 -9.887 6.240 12.440 1.00 0.00 N ATOM 0 H LYS A 29 -10.621 2.533 8.206 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.822 3.421 10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.865 1.220 9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.795 1.215 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.800 3.370 10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.891 2.271 11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.876 3.889 13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.403 3.455 12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.739 5.169 10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.381 5.464 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.051 7.183 12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.396 6.161 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.869 6.105 12.603 1.00 0.00 H new ATOM 558 N GLU A 30 -8.243 0.624 8.632 1.00 0.00 N ATOM 559 CA GLU A 30 -7.216 -0.350 8.316 1.00 0.00 C ATOM 560 C GLU A 30 -6.137 0.293 7.470 1.00 0.00 C ATOM 561 O GLU A 30 -4.966 -0.007 7.614 1.00 0.00 O ATOM 562 CB GLU A 30 -7.821 -1.545 7.582 1.00 0.00 C ATOM 563 CG GLU A 30 -8.867 -2.283 8.401 1.00 0.00 C ATOM 564 CD GLU A 30 -9.090 -3.703 7.923 1.00 0.00 C ATOM 565 OE1 GLU A 30 -8.094 -4.385 7.602 1.00 0.00 O ATOM 566 OE2 GLU A 30 -10.261 -4.133 7.873 1.00 0.00 O ATOM 0 H GLU A 30 -9.120 0.492 8.128 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.772 -0.705 9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.273 -1.201 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.025 -2.238 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.558 -2.300 9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.809 -1.737 8.356 1.00 0.00 H new ATOM 573 N LYS A 31 -6.538 1.200 6.597 1.00 0.00 N ATOM 574 CA LYS A 31 -5.588 1.893 5.750 1.00 0.00 C ATOM 575 C LYS A 31 -4.609 2.687 6.609 1.00 0.00 C ATOM 576 O LYS A 31 -3.440 2.827 6.269 1.00 0.00 O ATOM 577 CB LYS A 31 -6.335 2.807 4.780 1.00 0.00 C ATOM 578 CG LYS A 31 -6.516 4.226 5.286 1.00 0.00 C ATOM 579 CD LYS A 31 -7.164 5.110 4.239 1.00 0.00 C ATOM 580 CE LYS A 31 -7.585 6.451 4.820 1.00 0.00 C ATOM 581 NZ LYS A 31 -7.109 7.592 3.989 1.00 0.00 N ATOM 0 H LYS A 31 -7.511 1.472 6.457 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.019 1.167 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.794 2.836 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.315 2.378 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.130 4.217 6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.547 4.640 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.467 5.272 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.035 4.604 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.672 6.488 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.189 6.549 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.060 8.451 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.165 7.376 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.770 7.747 3.201 1.00 0.00 H new ATOM 595 N GLU A 32 -5.108 3.197 7.730 1.00 0.00 N ATOM 596 CA GLU A 32 -4.287 3.972 8.653 1.00 0.00 C ATOM 597 C GLU A 32 -3.651 3.058 9.697 1.00 0.00 C ATOM 598 O GLU A 32 -2.510 3.265 10.109 1.00 0.00 O ATOM 599 CB GLU A 32 -5.138 5.050 9.333 1.00 0.00 C ATOM 600 CG GLU A 32 -6.104 4.509 10.378 1.00 0.00 C ATOM 601 CD GLU A 32 -6.730 5.608 11.215 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.858 6.742 10.706 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.091 5.335 12.379 1.00 0.00 O ATOM 0 H GLU A 32 -6.079 3.087 8.022 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.489 4.457 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.476 5.776 9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.705 5.585 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.891 3.942 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.576 3.815 11.032 1.00 0.00 H new ATOM 610 N GLU A 33 -4.402 2.044 10.112 1.00 0.00 N ATOM 611 CA GLU A 33 -3.932 1.083 11.099 1.00 0.00 C ATOM 612 C GLU A 33 -2.923 0.125 10.474 1.00 0.00 C ATOM 613 O GLU A 33 -1.961 -0.293 11.117 1.00 0.00 O ATOM 614 CB GLU A 33 -5.119 0.298 11.655 1.00 0.00 C ATOM 615 CG GLU A 33 -6.038 1.125 12.540 1.00 0.00 C ATOM 616 CD GLU A 33 -5.757 0.934 14.017 1.00 0.00 C ATOM 617 OE1 GLU A 33 -6.016 -0.174 14.532 1.00 0.00 O ATOM 618 OE2 GLU A 33 -5.281 1.893 14.660 1.00 0.00 O ATOM 0 H GLU A 33 -5.348 1.867 9.775 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.441 1.622 11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.697 -0.107 10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.746 -0.551 12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.927 2.179 12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.074 0.855 12.334 1.00 0.00 H new ATOM 625 N VAL A 34 -3.159 -0.207 9.212 1.00 0.00 N ATOM 626 CA VAL A 34 -2.289 -1.109 8.463 1.00 0.00 C ATOM 627 C VAL A 34 -1.048 -0.367 7.980 1.00 0.00 C ATOM 628 O VAL A 34 0.052 -0.918 7.966 1.00 0.00 O ATOM 629 CB VAL A 34 -3.035 -1.726 7.255 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.109 -2.567 6.387 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.213 -2.563 7.734 1.00 0.00 C ATOM 0 H VAL A 34 -3.956 0.139 8.678 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.988 -1.916 9.131 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.405 -0.904 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.672 -2.982 5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.300 -1.943 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.691 -3.379 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.729 -2.991 6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.852 -3.366 8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.903 -1.932 8.294 1.00 0.00 H new ATOM 641 N ALA A 35 -1.237 0.885 7.581 1.00 0.00 N ATOM 642 CA ALA A 35 -0.135 1.706 7.091 1.00 0.00 C ATOM 643 C ALA A 35 0.901 1.984 8.177 1.00 0.00 C ATOM 644 O ALA A 35 2.082 2.169 7.884 1.00 0.00 O ATOM 645 CB ALA A 35 -0.663 3.015 6.536 1.00 0.00 C ATOM 0 H ALA A 35 -2.143 1.354 7.587 1.00 0.00 H new ATOM 0 HA ALA A 35 0.359 1.145 6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.169 3.619 6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.349 2.811 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.189 3.557 7.321 1.00 0.00 H new ATOM 651 N LYS A 36 0.453 2.038 9.425 1.00 0.00 N ATOM 652 CA LYS A 36 1.346 2.324 10.543 1.00 0.00 C ATOM 653 C LYS A 36 2.006 1.063 11.098 1.00 0.00 C ATOM 654 O LYS A 36 3.041 1.141 11.761 1.00 0.00 O ATOM 655 CB LYS A 36 0.579 3.037 11.655 1.00 0.00 C ATOM 656 CG LYS A 36 -0.464 2.164 12.332 1.00 0.00 C ATOM 657 CD LYS A 36 -1.176 2.913 13.447 1.00 0.00 C ATOM 658 CE LYS A 36 -2.131 3.959 12.894 1.00 0.00 C ATOM 659 NZ LYS A 36 -2.410 5.034 13.884 1.00 0.00 N ATOM 0 H LYS A 36 -0.521 1.888 9.689 1.00 0.00 H new ATOM 0 HA LYS A 36 2.139 2.969 10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.287 3.390 12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.089 3.918 11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.193 1.827 11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.014 1.272 12.738 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.728 2.206 14.067 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.440 3.395 14.091 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.706 4.398 11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.066 3.480 12.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.065 5.727 13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.839 4.619 14.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.521 5.509 14.141 1.00 0.00 H new ATOM 673 N LYS A 37 1.409 -0.095 10.839 1.00 0.00 N ATOM 674 CA LYS A 37 1.957 -1.353 11.335 1.00 0.00 C ATOM 675 C LYS A 37 2.666 -2.127 10.228 1.00 0.00 C ATOM 676 O LYS A 37 3.596 -2.889 10.492 1.00 0.00 O ATOM 677 CB LYS A 37 0.849 -2.213 11.947 1.00 0.00 C ATOM 678 CG LYS A 37 -0.112 -2.790 10.921 1.00 0.00 C ATOM 679 CD LYS A 37 -1.056 -3.802 11.548 1.00 0.00 C ATOM 680 CE LYS A 37 -1.935 -3.162 12.610 1.00 0.00 C ATOM 681 NZ LYS A 37 -1.413 -3.407 13.984 1.00 0.00 N ATOM 0 H LYS A 37 0.553 -0.190 10.293 1.00 0.00 H new ATOM 0 HA LYS A 37 2.691 -1.114 12.105 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.303 -3.031 12.507 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.286 -1.611 12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.690 -1.984 10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.453 -3.266 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.683 -4.244 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.479 -4.613 11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.997 -2.089 12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.947 -3.558 12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.630 -2.589 14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.861 -4.258 14.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.383 -3.545 13.945 1.00 0.00 H new ATOM 695 N CYS A 38 2.218 -1.936 8.993 1.00 0.00 N ATOM 696 CA CYS A 38 2.811 -2.629 7.857 1.00 0.00 C ATOM 697 C CYS A 38 3.914 -1.796 7.215 1.00 0.00 C ATOM 698 O CYS A 38 4.852 -2.341 6.631 1.00 0.00 O ATOM 699 CB CYS A 38 1.738 -2.975 6.826 1.00 0.00 C ATOM 700 SG CYS A 38 0.440 -4.061 7.461 1.00 0.00 S ATOM 0 H CYS A 38 1.449 -1.310 8.754 1.00 0.00 H new ATOM 0 HA CYS A 38 3.259 -3.553 8.224 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.283 -2.053 6.465 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.212 -3.453 5.969 1.00 0.00 H new ATOM 0 HG CYS A 38 0.932 -4.831 8.386 1.00 0.00 H new ATOM 706 N GLY A 39 3.810 -0.476 7.333 1.00 0.00 N ATOM 707 CA GLY A 39 4.821 0.395 6.762 1.00 0.00 C ATOM 708 C GLY A 39 4.310 1.234 5.610 1.00 0.00 C ATOM 709 O GLY A 39 5.089 1.679 4.767 1.00 0.00 O ATOM 0 H GLY A 39 3.048 0.004 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.204 1.055 7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.659 -0.211 6.417 1.00 0.00 H new ATOM 713 N ILE A 40 3.005 1.468 5.578 1.00 0.00 N ATOM 714 CA ILE A 40 2.406 2.280 4.528 1.00 0.00 C ATOM 715 C ILE A 40 1.931 3.610 5.113 1.00 0.00 C ATOM 716 O ILE A 40 2.334 3.984 6.214 1.00 0.00 O ATOM 717 CB ILE A 40 1.221 1.563 3.828 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.104 0.102 4.269 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.379 1.628 2.315 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.193 -0.542 3.835 1.00 0.00 C ATOM 0 H ILE A 40 2.343 1.108 6.265 1.00 0.00 H new ATOM 0 HA ILE A 40 3.173 2.453 3.773 1.00 0.00 H new ATOM 0 HB ILE A 40 0.309 2.082 4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.940 -0.464 3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.185 0.048 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.540 1.121 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.401 2.670 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.310 1.140 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.218 -1.577 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.032 0.003 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.266 -0.517 2.748 1.00 0.00 H new ATOM 732 N THR A 41 1.080 4.324 4.384 1.00 0.00 N ATOM 733 CA THR A 41 0.572 5.607 4.862 1.00 0.00 C ATOM 734 C THR A 41 -0.827 5.883 4.317 1.00 0.00 C ATOM 735 O THR A 41 -1.216 5.346 3.279 1.00 0.00 O ATOM 736 CB THR A 41 1.524 6.740 4.466 1.00 0.00 C ATOM 737 OG1 THR A 41 2.722 6.222 3.912 1.00 0.00 O ATOM 738 CG2 THR A 41 1.908 7.631 5.628 1.00 0.00 C ATOM 0 H THR A 41 0.730 4.041 3.469 1.00 0.00 H new ATOM 0 HA THR A 41 0.511 5.559 5.949 1.00 0.00 H new ATOM 0 HB THR A 41 0.975 7.334 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.315 6.962 3.665 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.583 8.412 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.012 8.087 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.406 7.036 6.394 1.00 0.00 H new ATOM 746 N PRO A 42 -1.604 6.734 5.012 1.00 0.00 N ATOM 747 CA PRO A 42 -2.965 7.085 4.594 1.00 0.00 C ATOM 748 C PRO A 42 -3.031 7.500 3.128 1.00 0.00 C ATOM 749 O PRO A 42 -4.075 7.387 2.489 1.00 0.00 O ATOM 750 CB PRO A 42 -3.322 8.263 5.500 1.00 0.00 C ATOM 751 CG PRO A 42 -2.498 8.058 6.724 1.00 0.00 C ATOM 752 CD PRO A 42 -1.217 7.423 6.259 1.00 0.00 C ATOM 0 HA PRO A 42 -3.649 6.241 4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.092 9.215 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.386 8.274 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.304 9.005 7.227 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.014 7.417 7.439 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.442 8.168 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.824 6.724 6.998 1.00 0.00 H new ATOM 760 N LEU A 43 -1.908 7.978 2.602 1.00 0.00 N ATOM 761 CA LEU A 43 -1.834 8.406 1.210 1.00 0.00 C ATOM 762 C LEU A 43 -1.425 7.242 0.311 1.00 0.00 C ATOM 763 O LEU A 43 -1.783 7.195 -0.869 1.00 0.00 O ATOM 764 CB LEU A 43 -0.837 9.558 1.061 1.00 0.00 C ATOM 765 CG LEU A 43 -1.306 10.706 0.165 1.00 0.00 C ATOM 766 CD1 LEU A 43 -1.926 11.816 1.002 1.00 0.00 C ATOM 767 CD2 LEU A 43 -0.148 11.246 -0.661 1.00 0.00 C ATOM 0 H LEU A 43 -1.035 8.079 3.120 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.822 8.751 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.615 9.957 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.096 9.162 0.660 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.065 10.322 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.254 12.624 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.782 11.423 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.187 12.196 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.501 12.062 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.633 11.613 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.254 10.450 -1.288 1.00 0.00 H new ATOM 779 N GLN A 44 -0.685 6.295 0.879 1.00 0.00 N ATOM 780 CA GLN A 44 -0.242 5.129 0.131 1.00 0.00 C ATOM 781 C GLN A 44 -1.348 4.088 0.096 1.00 0.00 C ATOM 782 O GLN A 44 -1.810 3.696 -0.967 1.00 0.00 O ATOM 783 CB GLN A 44 1.023 4.531 0.750 1.00 0.00 C ATOM 784 CG GLN A 44 1.971 5.566 1.331 1.00 0.00 C ATOM 785 CD GLN A 44 2.492 6.533 0.286 1.00 0.00 C ATOM 786 OE1 GLN A 44 3.163 6.135 -0.666 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.187 7.813 0.462 1.00 0.00 N ATOM 0 H GLN A 44 -0.381 6.314 1.853 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.008 5.441 -0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.736 3.833 1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.551 3.955 -0.010 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.457 6.125 2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.813 5.058 1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.628 8.098 1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.512 8.511 -0.207 1.00 0.00 H new ATOM 796 N VAL A 45 -1.779 3.658 1.272 1.00 0.00 N ATOM 797 CA VAL A 45 -2.843 2.667 1.400 1.00 0.00 C ATOM 798 C VAL A 45 -3.926 2.840 0.338 1.00 0.00 C ATOM 799 O VAL A 45 -4.523 1.869 -0.110 1.00 0.00 O ATOM 800 CB VAL A 45 -3.490 2.760 2.782 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.491 2.350 3.842 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.999 4.170 3.035 1.00 0.00 C ATOM 0 H VAL A 45 -1.404 3.983 2.163 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.381 1.690 1.262 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.342 2.082 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.956 2.418 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.170 1.324 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.626 3.013 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.457 4.220 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.166 4.872 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.739 4.431 2.279 1.00 0.00 H new ATOM 812 N ARG A 46 -4.173 4.076 -0.067 1.00 0.00 N ATOM 813 CA ARG A 46 -5.180 4.342 -1.083 1.00 0.00 C ATOM 814 C ARG A 46 -4.609 4.121 -2.482 1.00 0.00 C ATOM 815 O ARG A 46 -5.094 3.275 -3.229 1.00 0.00 O ATOM 816 CB ARG A 46 -5.733 5.764 -0.953 1.00 0.00 C ATOM 817 CG ARG A 46 -4.712 6.796 -0.504 1.00 0.00 C ATOM 818 CD ARG A 46 -4.836 8.089 -1.293 1.00 0.00 C ATOM 819 NE ARG A 46 -6.205 8.598 -1.300 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.780 9.193 -0.257 1.00 0.00 C ATOM 821 NH1 ARG A 46 -6.109 9.354 0.877 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.029 9.630 -0.347 1.00 0.00 N ATOM 0 H ARG A 46 -3.695 4.904 0.288 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.001 3.642 -0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.143 6.071 -1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.560 5.756 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.847 7.003 0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.707 6.391 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.172 8.840 -0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.507 7.921 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.753 8.491 -2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.148 9.021 0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.555 9.811 1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.550 9.510 -1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.469 10.086 0.453 1.00 0.00 H new ATOM 836 N VAL A 47 -3.573 4.879 -2.832 1.00 0.00 N ATOM 837 CA VAL A 47 -2.944 4.753 -4.145 1.00 0.00 C ATOM 838 C VAL A 47 -2.227 3.413 -4.291 1.00 0.00 C ATOM 839 O VAL A 47 -2.331 2.740 -5.316 1.00 0.00 O ATOM 840 CB VAL A 47 -1.931 5.888 -4.383 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.599 7.239 -4.194 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.734 5.739 -3.451 1.00 0.00 C ATOM 0 H VAL A 47 -3.152 5.585 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.741 4.815 -4.886 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.571 5.825 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.871 8.032 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.420 7.341 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.986 7.315 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.028 6.549 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.072 5.778 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.245 4.783 -3.637 1.00 0.00 H new ATOM 852 N TRP A 48 -1.495 3.045 -3.252 1.00 0.00 N ATOM 853 CA TRP A 48 -0.744 1.803 -3.229 1.00 0.00 C ATOM 854 C TRP A 48 -1.678 0.601 -3.374 1.00 0.00 C ATOM 855 O TRP A 48 -1.478 -0.241 -4.248 1.00 0.00 O ATOM 856 CB TRP A 48 0.069 1.722 -1.935 1.00 0.00 C ATOM 857 CG TRP A 48 1.517 1.410 -2.160 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.531 2.310 -2.318 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.112 0.112 -2.256 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.721 1.650 -2.505 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.491 0.301 -2.472 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.615 -1.190 -2.180 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.376 -0.765 -2.612 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.495 -2.247 -2.320 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.861 -2.030 -2.534 1.00 0.00 C ATOM 0 H TRP A 48 -1.406 3.600 -2.401 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.057 1.784 -4.075 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.012 2.670 -1.404 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.364 0.957 -1.290 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.415 3.384 -2.299 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.629 2.093 -2.646 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.563 -1.368 -2.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.430 -0.599 -2.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.122 -3.259 -2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.522 -2.878 -2.640 1.00 0.00 H new ATOM 876 N PHE A 49 -2.707 0.529 -2.527 1.00 0.00 N ATOM 877 CA PHE A 49 -3.662 -0.573 -2.598 1.00 0.00 C ATOM 878 C PHE A 49 -4.433 -0.535 -3.914 1.00 0.00 C ATOM 879 O PHE A 49 -4.882 -1.565 -4.403 1.00 0.00 O ATOM 880 CB PHE A 49 -4.657 -0.521 -1.434 1.00 0.00 C ATOM 881 CG PHE A 49 -4.049 -0.746 -0.074 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.741 -1.188 0.069 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.800 -0.513 1.069 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.196 -1.387 1.324 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.260 -0.710 2.324 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.958 -1.148 2.452 1.00 0.00 C ATOM 0 H PHE A 49 -2.897 1.212 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.092 -1.500 -2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.151 0.451 -1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.429 -1.272 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.143 -1.379 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.821 -0.173 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.176 -1.729 1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.856 -0.521 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.534 -1.304 3.433 1.00 0.00 H new ATOM 896 N ILE A 50 -4.594 0.657 -4.485 1.00 0.00 N ATOM 897 CA ILE A 50 -5.321 0.797 -5.744 1.00 0.00 C ATOM 898 C ILE A 50 -4.737 -0.132 -6.811 1.00 0.00 C ATOM 899 O ILE A 50 -5.462 -0.903 -7.441 1.00 0.00 O ATOM 900 CB ILE A 50 -5.311 2.263 -6.246 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.514 3.022 -5.676 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.314 2.333 -7.770 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.839 2.596 -6.270 1.00 0.00 C ATOM 0 H ILE A 50 -4.235 1.531 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.357 0.513 -5.558 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.392 2.732 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.546 2.876 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.374 4.089 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.307 3.376 -8.086 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.429 1.830 -8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.208 1.843 -8.155 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.644 3.176 -5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.827 2.768 -7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.002 1.536 -6.074 1.00 0.00 H new ATOM 915 N ASN A 51 -3.424 -0.058 -6.999 1.00 0.00 N ATOM 916 CA ASN A 51 -2.743 -0.896 -7.980 1.00 0.00 C ATOM 917 C ASN A 51 -2.509 -2.296 -7.423 1.00 0.00 C ATOM 918 O ASN A 51 -2.488 -3.278 -8.166 1.00 0.00 O ATOM 919 CB ASN A 51 -1.408 -0.266 -8.385 1.00 0.00 C ATOM 920 CG ASN A 51 -1.575 0.831 -9.418 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.942 0.571 -10.563 1.00 0.00 O ATOM 922 ND2 ASN A 51 -1.303 2.067 -9.016 1.00 0.00 N ATOM 0 H ASN A 51 -2.810 0.574 -6.485 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.380 -0.973 -8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.920 0.143 -7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.751 -1.039 -8.783 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.396 2.847 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.002 2.236 -8.056 1.00 0.00 H new ATOM 929 N LYS A 52 -2.334 -2.380 -6.108 1.00 0.00 N ATOM 930 CA LYS A 52 -2.103 -3.657 -5.442 1.00 0.00 C ATOM 931 C LYS A 52 -3.408 -4.242 -4.907 1.00 0.00 C ATOM 932 O LYS A 52 -3.396 -5.105 -4.029 1.00 0.00 O ATOM 933 CB LYS A 52 -1.111 -3.478 -4.291 1.00 0.00 C ATOM 934 CG LYS A 52 0.346 -3.440 -4.734 1.00 0.00 C ATOM 935 CD LYS A 52 0.692 -4.615 -5.637 1.00 0.00 C ATOM 936 CE LYS A 52 2.188 -4.894 -5.643 1.00 0.00 C ATOM 937 NZ LYS A 52 2.480 -6.350 -5.741 1.00 0.00 N ATOM 0 H LYS A 52 -2.348 -1.576 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.689 -4.349 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.345 -2.553 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.243 -4.293 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.542 -2.506 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.993 -3.452 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.157 -5.503 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.356 -4.406 -6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.651 -4.374 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.636 -4.494 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.509 -6.498 -5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.060 -6.844 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.075 -6.727 -6.622 1.00 0.00 H new ATOM 951 N ARG A 53 -4.529 -3.759 -5.433 1.00 0.00 N ATOM 952 CA ARG A 53 -5.842 -4.223 -4.998 1.00 0.00 C ATOM 953 C ARG A 53 -6.955 -3.513 -5.761 1.00 0.00 C ATOM 954 O ARG A 53 -8.027 -3.265 -5.214 1.00 0.00 O ATOM 955 CB ARG A 53 -6.021 -3.974 -3.499 1.00 0.00 C ATOM 956 CG ARG A 53 -7.185 -4.738 -2.889 1.00 0.00 C ATOM 957 CD ARG A 53 -7.610 -4.129 -1.564 1.00 0.00 C ATOM 958 NE ARG A 53 -7.015 -4.819 -0.423 1.00 0.00 N ATOM 959 CZ ARG A 53 -5.803 -4.554 0.061 1.00 0.00 C ATOM 960 NH1 ARG A 53 -5.032 -3.642 -0.517 1.00 0.00 N ATOM 961 NH2 ARG A 53 -5.359 -5.206 1.125 1.00 0.00 N ATOM 0 H ARG A 53 -4.555 -3.046 -6.162 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.902 -5.292 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.103 -4.253 -2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.170 -2.907 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.028 -4.734 -3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.901 -5.779 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.323 -3.078 -1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.696 -4.165 -1.482 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.562 -5.550 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.366 -3.138 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.105 -3.445 -0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.945 -5.910 1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.431 -5.004 1.496 1.00 0.00 H new ATOM 975 N MET A 54 -6.697 -3.183 -7.025 1.00 0.00 N ATOM 976 CA MET A 54 -7.690 -2.499 -7.848 1.00 0.00 C ATOM 977 C MET A 54 -9.016 -3.254 -7.839 1.00 0.00 C ATOM 978 O MET A 54 -9.263 -4.107 -8.691 1.00 0.00 O ATOM 979 CB MET A 54 -7.179 -2.351 -9.282 1.00 0.00 C ATOM 980 CG MET A 54 -7.428 -0.975 -9.878 1.00 0.00 C ATOM 981 SD MET A 54 -7.175 -0.934 -11.662 1.00 0.00 S ATOM 982 CE MET A 54 -5.909 0.325 -11.795 1.00 0.00 C ATOM 0 H MET A 54 -5.815 -3.377 -7.498 1.00 0.00 H new ATOM 0 HA MET A 54 -7.856 -1.507 -7.427 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.109 -2.558 -9.301 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.659 -3.102 -9.909 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.448 -0.665 -9.653 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.763 -0.253 -9.404 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.645 0.466 -12.843 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.284 1.263 -11.386 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.026 0.014 -11.237 1.00 0.00 H new ATOM 992 N ARG A 55 -9.863 -2.936 -6.864 1.00 0.00 N ATOM 993 CA ARG A 55 -11.160 -3.586 -6.735 1.00 0.00 C ATOM 994 C ARG A 55 -12.173 -2.979 -7.702 1.00 0.00 C ATOM 995 O ARG A 55 -12.712 -3.670 -8.565 1.00 0.00 O ATOM 996 CB ARG A 55 -11.673 -3.466 -5.299 1.00 0.00 C ATOM 997 CG ARG A 55 -10.879 -4.291 -4.299 1.00 0.00 C ATOM 998 CD ARG A 55 -11.511 -5.656 -4.072 1.00 0.00 C ATOM 999 NE ARG A 55 -10.552 -6.742 -4.262 1.00 0.00 N ATOM 1000 CZ ARG A 55 -10.726 -7.976 -3.794 1.00 0.00 C ATOM 1001 NH1 ARG A 55 -11.819 -8.286 -3.108 1.00 0.00 N ATOM 1002 NH2 ARG A 55 -9.804 -8.904 -4.014 1.00 0.00 N ATOM 0 H ARG A 55 -9.672 -2.231 -6.152 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.036 -4.640 -6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.644 -2.419 -4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.717 -3.778 -5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.858 -4.417 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.818 -3.756 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.917 -5.704 -3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.347 -5.787 -4.758 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.699 -6.543 -4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.532 -7.577 -2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.946 -9.233 -2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.962 -8.672 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.937 -9.850 -3.656 1.00 0.00 H new ATOM 1016 N SER A 56 -12.426 -1.684 -7.546 1.00 0.00 N ATOM 1017 CA SER A 56 -13.375 -0.983 -8.403 1.00 0.00 C ATOM 1018 C SER A 56 -12.668 0.062 -9.262 1.00 0.00 C ATOM 1019 O SER A 56 -12.561 -0.091 -10.479 1.00 0.00 O ATOM 1020 CB SER A 56 -14.459 -0.314 -7.555 1.00 0.00 C ATOM 1021 OG SER A 56 -15.618 -1.126 -7.477 1.00 0.00 O ATOM 0 H SER A 56 -11.988 -1.099 -6.835 1.00 0.00 H new ATOM 0 HA SER A 56 -13.838 -1.715 -9.064 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.076 -0.124 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.717 0.653 -7.986 1.00 0.00 H new ATOM 0 HG SER A 56 -16.295 -0.678 -6.929 1.00 0.00 H new ATOM 1027 N LYS A 57 -12.188 1.123 -8.620 1.00 0.00 N ATOM 1028 CA LYS A 57 -11.493 2.193 -9.327 1.00 0.00 C ATOM 1029 C LYS A 57 -9.993 2.138 -9.058 1.00 0.00 C ATOM 1030 O LYS A 57 -9.299 3.127 -9.376 1.00 0.00 O ATOM 1031 CB LYS A 57 -12.050 3.555 -8.910 1.00 0.00 C ATOM 1032 CG LYS A 57 -12.083 3.763 -7.405 1.00 0.00 C ATOM 1033 CD LYS A 57 -11.980 5.236 -7.044 1.00 0.00 C ATOM 1034 CE LYS A 57 -10.565 5.616 -6.638 1.00 0.00 C ATOM 1035 NZ LYS A 57 -10.081 6.821 -7.366 1.00 0.00 N ATOM 1036 OXT LYS A 57 -9.524 1.107 -8.530 1.00 0.00 O ATOM 0 H LYS A 57 -12.268 1.264 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.657 2.055 -10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.445 4.340 -9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.060 3.662 -9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.008 3.352 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.261 3.216 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.290 5.842 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.666 5.460 -6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.534 5.804 -5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.894 4.780 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.113 7.046 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.086 6.634 -8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.706 7.626 -7.158 1.00 0.00 H new TER 1050 LYS A 57