USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 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 Single : A 7 GLN : amide:sc= -0.0492 K(o=-0.049,f=-1.9!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -71:sc= 1.21 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.61) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.8!) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.4!) USER MOD Single : B 12 THR OG1 : rot -16:sc= 0.83 USER MOD Single : B 13 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.6) USER MOD Single : B 14 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 15 GLN : amide:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.85) USER MOD Single : B 24 ASN : amide:sc= -2.85 K(o=-2.9,f=-9.6!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 -1.442 23.746 9.100 1.00 0.00 C HETATM 2 O ACE A 2 -1.062 24.757 8.510 1.00 0.00 O HETATM 3 CH3 ACE A 2 -1.617 23.739 10.616 1.00 0.00 C HETATM 0 H1 ACE A 2 -2.653 23.508 10.862 1.00 0.00 H new HETATM 0 H2 ACE A 2 -0.963 22.985 11.054 1.00 0.00 H new HETATM 0 H3 ACE A 2 -1.359 24.719 11.017 1.00 0.00 H new ATOM 7 N CYS A 3 -1.723 22.603 8.480 1.00 0.00 N ATOM 8 CA CYS A 3 -1.595 22.480 7.029 1.00 0.00 C ATOM 9 C CYS A 3 -0.154 22.737 6.595 1.00 0.00 C ATOM 10 O CYS A 3 0.098 23.263 5.510 1.00 0.00 O ATOM 11 CB CYS A 3 -2.515 23.477 6.320 1.00 0.00 C ATOM 12 SG CYS A 3 -2.831 22.911 4.631 1.00 0.00 S ATOM 0 H CYS A 3 -2.038 21.756 8.953 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.882 21.465 6.754 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.454 23.572 6.865 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.055 24.465 6.304 1.00 0.00 H new ATOM 17 N GLY A 4 0.786 22.359 7.456 1.00 0.00 N ATOM 18 CA GLY A 4 2.202 22.553 7.154 1.00 0.00 C ATOM 19 C GLY A 4 2.947 21.223 7.187 1.00 0.00 C ATOM 20 O GLY A 4 2.576 20.304 7.918 1.00 0.00 O ATOM 0 H GLY A 4 0.598 21.922 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.310 23.012 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.642 23.240 7.876 1.00 0.00 H new ATOM 24 N GLY A 5 4.005 21.132 6.386 1.00 0.00 N ATOM 25 CA GLY A 5 4.801 19.909 6.328 1.00 0.00 C ATOM 26 C GLY A 5 4.116 18.859 5.461 1.00 0.00 C ATOM 27 O GLY A 5 4.012 17.692 5.841 1.00 0.00 O ATOM 0 H GLY A 5 4.329 21.881 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.789 20.131 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.948 19.517 7.334 1.00 0.00 H new ATOM 31 N VAL A 6 3.650 19.286 4.292 1.00 0.00 N ATOM 32 CA VAL A 6 2.973 18.373 3.373 1.00 0.00 C ATOM 33 C VAL A 6 3.987 17.458 2.692 1.00 0.00 C ATOM 34 O VAL A 6 3.696 16.300 2.392 1.00 0.00 O ATOM 35 CB VAL A 6 2.209 19.157 2.302 1.00 0.00 C ATOM 36 CG1 VAL A 6 1.354 18.195 1.475 1.00 0.00 C ATOM 37 CG2 VAL A 6 1.301 20.191 2.974 1.00 0.00 C ATOM 0 H VAL A 6 3.726 20.247 3.959 1.00 0.00 H new ATOM 0 HA VAL A 6 2.270 17.773 3.951 1.00 0.00 H new ATOM 0 HB VAL A 6 2.921 19.664 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.811 18.754 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.997 17.458 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.644 17.687 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.758 20.749 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.591 19.683 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.907 20.879 3.563 1.00 0.00 H new ATOM 47 N GLN A 7 5.181 17.993 2.453 1.00 0.00 N ATOM 48 CA GLN A 7 6.236 17.217 1.807 1.00 0.00 C ATOM 49 C GLN A 7 6.642 16.036 2.683 1.00 0.00 C ATOM 50 O GLN A 7 6.993 14.967 2.186 1.00 0.00 O ATOM 51 CB GLN A 7 7.463 18.093 1.549 1.00 0.00 C ATOM 52 CG GLN A 7 8.285 17.498 0.403 1.00 0.00 C ATOM 53 CD GLN A 7 7.779 18.051 -0.925 1.00 0.00 C ATOM 54 OE1 GLN A 7 6.637 17.808 -1.313 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.571 18.791 -1.654 1.00 0.00 N ATOM 0 H GLN A 7 5.441 18.950 2.693 1.00 0.00 H new ATOM 0 HA GLN A 7 5.849 16.848 0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.152 19.107 1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.072 18.159 2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.339 17.742 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.206 16.411 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.518 18.993 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.242 19.167 -2.544 1.00 0.00 H new ATOM 64 N ALA A 8 6.592 16.247 3.996 1.00 0.00 N ATOM 65 CA ALA A 8 6.957 15.194 4.940 1.00 0.00 C ATOM 66 C ALA A 8 5.853 14.145 5.021 1.00 0.00 C ATOM 67 O ALA A 8 6.120 12.953 5.184 1.00 0.00 O ATOM 68 CB ALA A 8 7.189 15.782 6.333 1.00 0.00 C ATOM 0 H ALA A 8 6.306 17.126 4.427 1.00 0.00 H new ATOM 0 HA ALA A 8 7.876 14.727 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.460 14.984 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.996 16.514 6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.277 16.268 6.679 1.00 0.00 H new ATOM 74 N GLU A 9 4.609 14.601 4.904 1.00 0.00 N ATOM 75 CA GLU A 9 3.467 13.694 4.965 1.00 0.00 C ATOM 76 C GLU A 9 3.394 12.845 3.700 1.00 0.00 C ATOM 77 O GLU A 9 3.160 11.638 3.757 1.00 0.00 O ATOM 78 CB GLU A 9 2.164 14.482 5.110 1.00 0.00 C ATOM 79 CG GLU A 9 1.893 14.753 6.591 1.00 0.00 C ATOM 80 CD GLU A 9 1.094 13.599 7.183 1.00 0.00 C ATOM 81 OE1 GLU A 9 1.494 12.463 6.984 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.093 13.865 7.829 1.00 0.00 O ATOM 0 H GLU A 9 4.367 15.583 4.768 1.00 0.00 H new ATOM 0 HA GLU A 9 3.598 13.046 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.233 15.423 4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.337 13.921 4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.834 14.870 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.342 15.687 6.706 1.00 0.00 H new ATOM 89 N GLU A 10 3.600 13.491 2.556 1.00 0.00 N ATOM 90 CA GLU A 10 3.555 12.788 1.276 1.00 0.00 C ATOM 91 C GLU A 10 4.693 11.776 1.185 1.00 0.00 C ATOM 92 O GLU A 10 4.525 10.678 0.655 1.00 0.00 O ATOM 93 CB GLU A 10 3.676 13.779 0.116 1.00 0.00 C ATOM 94 CG GLU A 10 2.282 14.255 -0.296 1.00 0.00 C ATOM 95 CD GLU A 10 2.354 14.921 -1.666 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.431 14.202 -2.648 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.333 16.140 -1.712 1.00 0.00 O ATOM 0 H GLU A 10 3.798 14.489 2.488 1.00 0.00 H new ATOM 0 HA GLU A 10 2.599 12.268 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.289 14.630 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.175 13.306 -0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.593 13.411 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.894 14.958 0.441 1.00 0.00 H new ATOM 104 N GLN A 11 5.854 12.159 1.709 1.00 0.00 N ATOM 105 CA GLN A 11 7.019 11.277 1.684 1.00 0.00 C ATOM 106 C GLN A 11 6.738 10.000 2.470 1.00 0.00 C ATOM 107 O GLN A 11 7.226 8.924 2.129 1.00 0.00 O ATOM 108 CB GLN A 11 8.235 11.979 2.291 1.00 0.00 C ATOM 109 CG GLN A 11 9.507 11.226 1.897 1.00 0.00 C ATOM 110 CD GLN A 11 10.718 12.131 2.101 1.00 0.00 C ATOM 111 OE1 GLN A 11 11.345 12.566 1.135 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.087 12.443 3.314 1.00 0.00 N ATOM 0 H GLN A 11 6.014 13.064 2.152 1.00 0.00 H new ATOM 0 HA GLN A 11 7.228 11.025 0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.286 13.010 1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.143 12.016 3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.609 10.323 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.447 10.910 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.567 12.082 4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.895 13.048 3.462 1.00 0.00 H new ATOM 121 N LYS A 12 5.945 10.135 3.528 1.00 0.00 N ATOM 122 CA LYS A 12 5.599 8.987 4.362 1.00 0.00 C ATOM 123 C LYS A 12 4.482 8.176 3.717 1.00 0.00 C ATOM 124 O LYS A 12 4.420 6.954 3.856 1.00 0.00 O ATOM 125 CB LYS A 12 5.143 9.448 5.748 1.00 0.00 C ATOM 126 CG LYS A 12 5.496 8.380 6.784 1.00 0.00 C ATOM 127 CD LYS A 12 4.737 8.658 8.083 1.00 0.00 C ATOM 128 CE LYS A 12 5.515 8.078 9.264 1.00 0.00 C ATOM 129 NZ LYS A 12 4.985 8.647 10.536 1.00 0.00 N ATOM 0 H LYS A 12 5.533 11.019 3.827 1.00 0.00 H new ATOM 0 HA LYS A 12 6.489 8.365 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.624 10.392 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.068 9.628 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.239 7.391 6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.570 8.380 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.602 9.732 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.742 8.215 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.425 6.992 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.575 8.309 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.514 8.253 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.092 9.681 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.978 8.404 10.632 1.00 0.00 H new ATOM 143 N LEU A 13 3.596 8.870 3.007 1.00 0.00 N ATOM 144 CA LEU A 13 2.478 8.207 2.341 1.00 0.00 C ATOM 145 C LEU A 13 2.958 7.480 1.088 1.00 0.00 C ATOM 146 O LEU A 13 2.621 6.318 0.859 1.00 0.00 O ATOM 147 CB LEU A 13 1.411 9.228 1.944 1.00 0.00 C ATOM 148 CG LEU A 13 0.551 9.568 3.163 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.047 11.008 3.048 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.644 8.614 3.226 1.00 0.00 C ATOM 0 H LEU A 13 3.629 9.881 2.879 1.00 0.00 H new ATOM 0 HA LEU A 13 2.051 7.486 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.883 10.131 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.787 8.826 1.146 1.00 0.00 H new ATOM 0 HG LEU A 13 1.149 9.464 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.566 11.250 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.897 11.689 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.550 11.113 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.257 8.856 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.241 8.718 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.286 7.588 3.309 1.00 0.00 H new ATOM 162 N ILE A 14 3.751 8.178 0.279 1.00 0.00 N ATOM 163 CA ILE A 14 4.276 7.592 -0.952 1.00 0.00 C ATOM 164 C ILE A 14 5.166 6.394 -0.631 1.00 0.00 C ATOM 165 O ILE A 14 4.969 5.297 -1.155 1.00 0.00 O ATOM 166 CB ILE A 14 5.087 8.632 -1.735 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.210 9.854 -2.012 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.554 8.034 -3.066 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.087 11.104 -2.097 1.00 0.00 C ATOM 0 H ILE A 14 4.042 9.140 0.451 1.00 0.00 H new ATOM 0 HA ILE A 14 3.433 7.262 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 14 5.956 8.926 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.662 9.717 -2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.469 9.970 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.129 8.778 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.179 7.162 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.687 7.736 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.462 11.975 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.615 11.243 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.811 10.987 -2.904 1.00 0.00 H new ATOM 181 N SER A 15 6.155 6.619 0.229 1.00 0.00 N ATOM 182 CA SER A 15 7.080 5.555 0.610 1.00 0.00 C ATOM 183 C SER A 15 6.329 4.380 1.234 1.00 0.00 C ATOM 184 O SER A 15 6.736 3.226 1.106 1.00 0.00 O ATOM 185 CB SER A 15 8.111 6.075 1.612 1.00 0.00 C ATOM 186 OG SER A 15 7.450 6.446 2.814 1.00 0.00 O ATOM 0 H SER A 15 6.336 7.520 0.672 1.00 0.00 H new ATOM 0 HA SER A 15 7.587 5.218 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.857 5.307 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.641 6.932 1.195 1.00 0.00 H new ATOM 0 HG SER A 15 6.932 7.264 2.663 1.00 0.00 H new ATOM 192 N GLU A 16 5.227 4.690 1.911 1.00 0.00 N ATOM 193 CA GLU A 16 4.423 3.653 2.552 1.00 0.00 C ATOM 194 C GLU A 16 3.664 2.846 1.504 1.00 0.00 C ATOM 195 O GLU A 16 3.642 1.616 1.542 1.00 0.00 O ATOM 196 CB GLU A 16 3.419 4.276 3.524 1.00 0.00 C ATOM 197 CG GLU A 16 4.060 4.405 4.907 1.00 0.00 C ATOM 198 CD GLU A 16 3.089 5.103 5.854 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.411 6.014 5.409 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.042 4.717 7.011 1.00 0.00 O ATOM 0 H GLU A 16 4.873 5.639 2.030 1.00 0.00 H new ATOM 0 HA GLU A 16 5.097 2.996 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.108 5.256 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.523 3.658 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.317 3.419 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.988 4.972 4.838 1.00 0.00 H new ATOM 207 N GLU A 17 3.040 3.555 0.567 1.00 0.00 N ATOM 208 CA GLU A 17 2.280 2.899 -0.493 1.00 0.00 C ATOM 209 C GLU A 17 3.203 2.062 -1.371 1.00 0.00 C ATOM 210 O GLU A 17 2.833 0.985 -1.837 1.00 0.00 O ATOM 211 CB GLU A 17 1.568 3.937 -1.363 1.00 0.00 C ATOM 212 CG GLU A 17 0.607 3.230 -2.321 1.00 0.00 C ATOM 213 CD GLU A 17 0.238 4.173 -3.459 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.492 5.118 -3.206 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.691 3.939 -4.567 1.00 0.00 O ATOM 0 H GLU A 17 3.045 4.574 0.520 1.00 0.00 H new ATOM 0 HA GLU A 17 1.540 2.251 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.020 4.639 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.299 4.517 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.071 2.328 -2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.291 2.918 -1.788 1.00 0.00 H new ATOM 222 N ASP A 18 4.412 2.572 -1.594 1.00 0.00 N ATOM 223 CA ASP A 18 5.386 1.865 -2.420 1.00 0.00 C ATOM 224 C ASP A 18 5.739 0.520 -1.795 1.00 0.00 C ATOM 225 O ASP A 18 5.952 -0.470 -2.495 1.00 0.00 O ATOM 226 CB ASP A 18 6.663 2.695 -2.570 1.00 0.00 C ATOM 227 CG ASP A 18 7.458 2.192 -3.771 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.210 2.673 -4.864 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.304 1.335 -3.579 1.00 0.00 O ATOM 0 H ASP A 18 4.738 3.463 -1.219 1.00 0.00 H new ATOM 0 HA ASP A 18 4.940 1.703 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.412 3.748 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.266 2.622 -1.665 1.00 0.00 H new ATOM 234 N LEU A 19 5.800 0.497 -0.466 1.00 0.00 N ATOM 235 CA LEU A 19 6.127 -0.733 0.250 1.00 0.00 C ATOM 236 C LEU A 19 5.021 -1.766 0.070 1.00 0.00 C ATOM 237 O LEU A 19 5.275 -2.970 0.030 1.00 0.00 O ATOM 238 CB LEU A 19 6.307 -0.450 1.744 1.00 0.00 C ATOM 239 CG LEU A 19 7.275 -1.471 2.344 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.708 -0.958 2.206 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.946 -1.672 3.825 1.00 0.00 C ATOM 0 H LEU A 19 5.629 1.306 0.131 1.00 0.00 H new ATOM 0 HA LEU A 19 7.058 -1.124 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.690 0.560 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.345 -0.502 2.253 1.00 0.00 H new ATOM 0 HG LEU A 19 7.177 -2.420 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.398 -1.686 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.942 -0.812 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.807 -0.010 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.634 -2.399 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.045 -0.723 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.924 -2.037 3.924 1.00 0.00 H new ATOM 253 N LEU A 20 3.787 -1.281 -0.039 1.00 0.00 N ATOM 254 CA LEU A 20 2.642 -2.169 -0.215 1.00 0.00 C ATOM 255 C LEU A 20 2.598 -2.705 -1.644 1.00 0.00 C ATOM 256 O LEU A 20 2.223 -3.854 -1.879 1.00 0.00 O ATOM 257 CB LEU A 20 1.337 -1.428 0.079 1.00 0.00 C ATOM 258 CG LEU A 20 0.995 -1.563 1.563 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.211 -0.331 2.020 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.144 -2.816 1.777 1.00 0.00 C ATOM 0 H LEU A 20 3.556 -0.288 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 20 2.751 -2.999 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.436 -0.376 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.530 -1.836 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 20 1.915 -1.644 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.033 -0.427 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.816 0.563 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.709 -0.250 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.101 -2.913 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.776 -2.734 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.701 -3.694 1.451 1.00 0.00 H new ATOM 272 N ARG A 21 2.987 -1.859 -2.592 1.00 0.00 N ATOM 273 CA ARG A 21 2.990 -2.254 -3.997 1.00 0.00 C ATOM 274 C ARG A 21 3.956 -3.412 -4.224 1.00 0.00 C ATOM 275 O ARG A 21 3.656 -4.355 -4.957 1.00 0.00 O ATOM 276 CB ARG A 21 3.405 -1.078 -4.883 1.00 0.00 C ATOM 277 CG ARG A 21 2.329 0.008 -4.829 1.00 0.00 C ATOM 278 CD ARG A 21 2.879 1.303 -5.431 1.00 0.00 C ATOM 279 NE ARG A 21 2.900 1.224 -6.894 1.00 0.00 N ATOM 280 CZ ARG A 21 1.789 1.370 -7.632 1.00 0.00 C ATOM 281 NH1 ARG A 21 0.624 1.591 -7.070 1.00 0.00 N ATOM 282 NH2 ARG A 21 1.869 1.292 -8.931 1.00 0.00 N ATOM 0 H ARG A 21 3.301 -0.905 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 21 1.980 -2.567 -4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.360 -0.675 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.545 -1.415 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.445 -0.314 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.019 0.177 -3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.265 2.146 -5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.886 1.485 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 21 3.788 1.053 -7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.551 1.655 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.209 1.699 -7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.770 1.121 -9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.030 1.402 -9.501 1.00 0.00 H new ATOM 296 N LYS A 22 5.121 -3.328 -3.588 1.00 0.00 N ATOM 297 CA LYS A 22 6.130 -4.375 -3.725 1.00 0.00 C ATOM 298 C LYS A 22 5.626 -5.685 -3.127 1.00 0.00 C ATOM 299 O LYS A 22 5.794 -6.756 -3.708 1.00 0.00 O ATOM 300 CB LYS A 22 7.424 -3.968 -3.016 1.00 0.00 C ATOM 301 CG LYS A 22 8.623 -4.552 -3.766 1.00 0.00 C ATOM 302 CD LYS A 22 8.918 -5.959 -3.242 1.00 0.00 C ATOM 303 CE LYS A 22 9.799 -6.703 -4.245 1.00 0.00 C ATOM 304 NZ LYS A 22 9.632 -8.173 -4.059 1.00 0.00 N ATOM 0 H LYS A 22 5.389 -2.555 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 22 6.327 -4.514 -4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.502 -2.882 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.416 -4.327 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.414 -4.587 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.495 -3.912 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.418 -5.901 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.986 -6.503 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.528 -6.421 -5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.843 -6.424 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.231 -8.680 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.911 -8.434 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.637 -8.432 -4.214 1.00 0.00 H new ATOM 318 N ARG A 23 5.005 -5.584 -1.955 1.00 0.00 N ATOM 319 CA ARG A 23 4.477 -6.766 -1.281 1.00 0.00 C ATOM 320 C ARG A 23 3.399 -7.431 -2.131 1.00 0.00 C ATOM 321 O ARG A 23 3.336 -8.656 -2.234 1.00 0.00 O ATOM 322 CB ARG A 23 3.877 -6.388 0.076 1.00 0.00 C ATOM 323 CG ARG A 23 3.563 -7.658 0.869 1.00 0.00 C ATOM 324 CD ARG A 23 4.841 -8.178 1.530 1.00 0.00 C ATOM 325 NE ARG A 23 4.540 -9.296 2.427 1.00 0.00 N ATOM 326 CZ ARG A 23 5.408 -9.716 3.359 1.00 0.00 C ATOM 327 NH1 ARG A 23 6.578 -9.140 3.507 1.00 0.00 N ATOM 328 NH2 ARG A 23 5.085 -10.716 4.131 1.00 0.00 N ATOM 0 H ARG A 23 4.856 -4.706 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 23 5.303 -7.462 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.575 -5.763 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.969 -5.802 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.808 -7.448 1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.148 -8.419 0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.548 -8.499 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.320 -7.375 2.090 1.00 0.00 H new ATOM 0 HE ARG A 23 3.641 -9.770 2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.841 -8.358 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.224 -9.474 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.179 -11.172 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.739 -11.043 4.843 1.00 0.00 H new ATOM 342 N ARG A 24 2.553 -6.607 -2.741 1.00 0.00 N ATOM 343 CA ARG A 24 1.477 -7.122 -3.585 1.00 0.00 C ATOM 344 C ARG A 24 2.052 -7.879 -4.778 1.00 0.00 C ATOM 345 O ARG A 24 1.473 -8.857 -5.250 1.00 0.00 O ATOM 346 CB ARG A 24 0.601 -5.977 -4.096 1.00 0.00 C ATOM 347 CG ARG A 24 -0.647 -6.549 -4.769 1.00 0.00 C ATOM 348 CD ARG A 24 -1.834 -5.616 -4.523 1.00 0.00 C ATOM 349 NE ARG A 24 -2.935 -5.927 -5.437 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.925 -5.543 -6.722 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.919 -4.867 -7.223 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.936 -5.849 -7.490 1.00 0.00 N ATOM 0 H ARG A 24 2.589 -5.590 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 24 0.872 -7.799 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.315 -5.327 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.160 -5.365 -4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.476 -6.662 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.863 -7.542 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.172 -5.714 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.523 -4.580 -4.659 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.735 -6.453 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.124 -4.623 -6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.932 -4.585 -8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.723 -6.375 -7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.938 -5.562 -8.469 1.00 0.00 H new ATOM 366 N GLU A 25 3.201 -7.412 -5.260 1.00 0.00 N ATOM 367 CA GLU A 25 3.851 -8.050 -6.401 1.00 0.00 C ATOM 368 C GLU A 25 4.301 -9.463 -6.037 1.00 0.00 C ATOM 369 O GLU A 25 4.067 -10.416 -6.780 1.00 0.00 O ATOM 370 CB GLU A 25 5.069 -7.239 -6.847 1.00 0.00 C ATOM 371 CG GLU A 25 4.627 -6.153 -7.830 1.00 0.00 C ATOM 372 CD GLU A 25 5.784 -5.190 -8.077 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.420 -4.799 -7.113 1.00 0.00 O ATOM 374 OE2 GLU A 25 6.016 -4.858 -9.228 1.00 0.00 O ATOM 0 H GLU A 25 3.696 -6.604 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 25 3.129 -8.097 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.554 -6.786 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.803 -7.894 -7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.309 -6.605 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.769 -5.613 -7.430 1.00 0.00 H new ATOM 381 N GLN A 26 4.951 -9.584 -4.883 1.00 0.00 N ATOM 382 CA GLN A 26 5.433 -10.885 -4.426 1.00 0.00 C ATOM 383 C GLN A 26 4.259 -11.779 -4.036 1.00 0.00 C ATOM 384 O GLN A 26 4.295 -12.994 -4.231 1.00 0.00 O ATOM 385 CB GLN A 26 6.355 -10.719 -3.217 1.00 0.00 C ATOM 386 CG GLN A 26 7.239 -11.961 -3.074 1.00 0.00 C ATOM 387 CD GLN A 26 7.831 -12.004 -1.671 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.204 -12.511 -0.740 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.017 -11.501 -1.459 1.00 0.00 N ATOM 0 H GLN A 26 5.155 -8.808 -4.253 1.00 0.00 H new ATOM 0 HA GLN A 26 5.987 -11.346 -5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.975 -9.831 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.764 -10.574 -2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.653 -12.861 -3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.037 -11.940 -3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.538 -11.081 -2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.423 -11.528 -0.524 1.00 0.00 H new ATOM 398 N LEU A 27 3.219 -11.163 -3.483 1.00 0.00 N ATOM 399 CA LEU A 27 2.036 -11.911 -3.067 1.00 0.00 C ATOM 400 C LEU A 27 1.375 -12.574 -4.271 1.00 0.00 C ATOM 401 O LEU A 27 1.005 -13.747 -4.227 1.00 0.00 O ATOM 402 CB LEU A 27 1.025 -10.982 -2.391 1.00 0.00 C ATOM 403 CG LEU A 27 1.400 -10.804 -0.919 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.574 -9.665 -0.318 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.111 -12.099 -0.159 1.00 0.00 C ATOM 0 H LEU A 27 3.170 -10.158 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 27 2.353 -12.677 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.012 -10.015 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.021 -11.398 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 27 2.461 -10.566 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.840 -9.537 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.779 -8.742 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.487 -9.904 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.378 -11.973 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.050 -12.338 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.698 -12.911 -0.588 1.00 0.00 H new ATOM 417 N LYS A 28 1.230 -11.807 -5.347 1.00 0.00 N ATOM 418 CA LYS A 28 0.611 -12.327 -6.564 1.00 0.00 C ATOM 419 C LYS A 28 1.443 -13.471 -7.138 1.00 0.00 C ATOM 420 O LYS A 28 0.907 -14.435 -7.685 1.00 0.00 O ATOM 421 CB LYS A 28 0.487 -11.223 -7.616 1.00 0.00 C ATOM 422 CG LYS A 28 -0.368 -11.725 -8.783 1.00 0.00 C ATOM 423 CD LYS A 28 -1.110 -10.545 -9.415 1.00 0.00 C ATOM 424 CE LYS A 28 -2.437 -11.032 -9.999 1.00 0.00 C ATOM 425 NZ LYS A 28 -2.850 -10.130 -11.112 1.00 0.00 N ATOM 0 H LYS A 28 1.529 -10.833 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.382 -12.694 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.034 -10.335 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.475 -10.933 -7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.262 -12.213 -9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.081 -12.471 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.291 -9.773 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.499 -10.094 -10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.333 -12.054 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.204 -11.047 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.752 -10.460 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.965 -9.162 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.121 -10.138 -11.854 1.00 0.00 H new ATOM 439 N HIS A 29 2.760 -13.351 -7.005 1.00 0.00 N ATOM 440 CA HIS A 29 3.664 -14.380 -7.513 1.00 0.00 C ATOM 441 C HIS A 29 3.416 -15.706 -6.800 1.00 0.00 C ATOM 442 O HIS A 29 3.541 -16.778 -7.390 1.00 0.00 O ATOM 443 CB HIS A 29 5.123 -13.965 -7.301 1.00 0.00 C ATOM 444 CG HIS A 29 5.437 -12.777 -8.169 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.914 -12.636 -9.444 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.220 -11.669 -7.958 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.383 -11.480 -9.948 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.184 -10.850 -9.083 1.00 0.00 N ATOM 0 H HIS A 29 3.223 -12.561 -6.555 1.00 0.00 H new ATOM 0 HA HIS A 29 3.472 -14.499 -8.579 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.294 -13.719 -6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.787 -14.794 -7.546 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.779 -11.464 -7.057 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.142 -11.106 -10.932 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.665 -9.961 -9.218 1.00 0.00 H new ATOM 456 N LYS A 30 3.063 -15.618 -5.520 1.00 0.00 N ATOM 457 CA LYS A 30 2.799 -16.817 -4.729 1.00 0.00 C ATOM 458 C LYS A 30 1.560 -17.537 -5.253 1.00 0.00 C ATOM 459 O LYS A 30 1.619 -18.707 -5.635 1.00 0.00 O ATOM 460 CB LYS A 30 2.580 -16.452 -3.260 1.00 0.00 C ATOM 461 CG LYS A 30 3.918 -16.484 -2.520 1.00 0.00 C ATOM 462 CD LYS A 30 4.118 -17.861 -1.883 1.00 0.00 C ATOM 463 CE LYS A 30 5.602 -18.227 -1.909 1.00 0.00 C ATOM 464 NZ LYS A 30 5.769 -19.655 -1.518 1.00 0.00 N ATOM 0 H LYS A 30 2.954 -14.740 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 30 3.665 -17.474 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.134 -15.460 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.882 -17.152 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.733 -16.270 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.940 -15.710 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.753 -17.854 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.539 -18.610 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.011 -18.062 -2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.158 -17.585 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.779 -19.904 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.394 -19.798 -0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.251 -20.261 -2.186 1.00 0.00 H new ATOM 478 N LEU A 31 0.439 -16.823 -5.269 1.00 0.00 N ATOM 479 CA LEU A 31 -0.814 -17.402 -5.748 1.00 0.00 C ATOM 480 C LEU A 31 -0.694 -17.784 -7.220 1.00 0.00 C ATOM 481 O LEU A 31 -1.273 -18.772 -7.669 1.00 0.00 O ATOM 482 CB LEU A 31 -1.965 -16.400 -5.586 1.00 0.00 C ATOM 483 CG LEU A 31 -2.624 -16.549 -4.205 1.00 0.00 C ATOM 484 CD1 LEU A 31 -3.219 -17.953 -4.059 1.00 0.00 C ATOM 485 CD2 LEU A 31 -1.584 -16.317 -3.102 1.00 0.00 C ATOM 0 H LEU A 31 0.371 -15.853 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.022 -18.293 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.589 -15.384 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.707 -16.561 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.419 -15.809 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.684 -18.051 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.969 -18.113 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.428 -18.696 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.058 -16.424 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.782 -17.049 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.171 -15.313 -3.196 1.00 0.00 H new ATOM 497 N GLU A 32 0.069 -16.989 -7.965 1.00 0.00 N ATOM 498 CA GLU A 32 0.263 -17.250 -9.388 1.00 0.00 C ATOM 499 C GLU A 32 1.038 -18.548 -9.590 1.00 0.00 C ATOM 500 O GLU A 32 0.721 -19.347 -10.472 1.00 0.00 O ATOM 501 CB GLU A 32 1.033 -16.103 -10.044 1.00 0.00 C ATOM 502 CG GLU A 32 1.032 -16.288 -11.563 1.00 0.00 C ATOM 503 CD GLU A 32 -0.358 -15.981 -12.111 1.00 0.00 C ATOM 504 OE1 GLU A 32 -0.640 -14.816 -12.339 1.00 0.00 O ATOM 505 OE2 GLU A 32 -1.120 -16.916 -12.295 1.00 0.00 O ATOM 0 H GLU A 32 0.559 -16.167 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.720 -17.337 -9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.576 -15.148 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.057 -16.078 -9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.769 -15.628 -12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.317 -17.309 -11.816 1.00 0.00 H new ATOM 512 N GLN A 33 2.060 -18.749 -8.762 1.00 0.00 N ATOM 513 CA GLN A 33 2.878 -19.952 -8.856 1.00 0.00 C ATOM 514 C GLN A 33 2.138 -21.147 -8.260 1.00 0.00 C ATOM 515 O GLN A 33 1.712 -22.052 -8.977 1.00 0.00 O ATOM 516 CB GLN A 33 4.199 -19.762 -8.107 1.00 0.00 C ATOM 517 CG GLN A 33 5.245 -19.175 -9.057 1.00 0.00 C ATOM 518 CD GLN A 33 5.946 -20.304 -9.804 1.00 0.00 C ATOM 519 OE1 GLN A 33 6.140 -21.391 -9.260 1.00 0.00 O ATOM 520 NE2 GLN A 33 6.341 -20.111 -11.033 1.00 0.00 N ATOM 0 H GLN A 33 2.339 -18.101 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 33 3.082 -20.138 -9.910 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.054 -19.099 -7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.546 -20.717 -7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.768 -18.497 -9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.973 -18.589 -8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.181 -19.211 -11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.810 -20.861 -11.542 1.00 0.00 H new ATOM 529 N LEU A 34 1.993 -21.138 -6.939 1.00 0.00 N ATOM 530 CA LEU A 34 1.303 -22.226 -6.250 1.00 0.00 C ATOM 531 C LEU A 34 0.170 -21.677 -5.387 1.00 0.00 C ATOM 532 O LEU A 34 0.318 -20.644 -4.734 1.00 0.00 O ATOM 533 CB LEU A 34 2.276 -23.000 -5.360 1.00 0.00 C ATOM 534 CG LEU A 34 2.916 -24.132 -6.166 1.00 0.00 C ATOM 535 CD1 LEU A 34 4.202 -23.629 -6.823 1.00 0.00 C ATOM 536 CD2 LEU A 34 3.245 -25.299 -5.231 1.00 0.00 C ATOM 0 H LEU A 34 2.340 -20.398 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 34 0.893 -22.895 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.047 -22.331 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.750 -23.407 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 34 2.222 -24.466 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.657 -24.436 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.970 -22.797 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.897 -23.295 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.701 -26.107 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.939 -24.963 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.329 -25.659 -4.762 1.00 0.00 H new HETATM 548 N NH2 A 35 -0.967 -22.314 -5.348 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 -5.882 24.246 2.333 1.00 0.00 C HETATM 553 O ACE B 2 -5.728 25.379 2.789 1.00 0.00 O HETATM 554 CH3 ACE B 2 -7.070 23.384 2.747 1.00 0.00 C HETATM 0 H1 ACE B 2 -7.664 23.137 1.867 1.00 0.00 H new HETATM 0 H2 ACE B 2 -6.709 22.466 3.211 1.00 0.00 H new HETATM 0 H3 ACE B 2 -7.687 23.932 3.459 1.00 0.00 H new ATOM 558 N CYS B 3 -5.042 23.694 1.462 1.00 0.00 N ATOM 559 CA CYS B 3 -3.865 24.419 0.989 1.00 0.00 C ATOM 560 C CYS B 3 -3.569 24.062 -0.465 1.00 0.00 C ATOM 561 O CYS B 3 -2.414 24.028 -0.889 1.00 0.00 O ATOM 562 CB CYS B 3 -2.644 24.076 1.844 1.00 0.00 C ATOM 563 SG CYS B 3 -2.933 24.615 3.549 1.00 0.00 S ATOM 0 H CYS B 3 -5.151 22.758 1.072 1.00 0.00 H new ATOM 0 HA CYS B 3 -4.074 25.486 1.067 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -2.457 23.002 1.817 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -1.756 24.564 1.442 1.00 0.00 H new ATOM 568 N GLY B 4 -4.629 23.797 -1.224 1.00 0.00 N ATOM 569 CA GLY B 4 -4.475 23.443 -2.632 1.00 0.00 C ATOM 570 C GLY B 4 -4.804 21.971 -2.859 1.00 0.00 C ATOM 571 O GLY B 4 -5.937 21.534 -2.656 1.00 0.00 O ATOM 0 H GLY B 4 -5.593 23.820 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -5.130 24.065 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -3.453 23.646 -2.953 1.00 0.00 H new ATOM 575 N GLY B 5 -3.798 21.211 -3.282 1.00 0.00 N ATOM 576 CA GLY B 5 -3.987 19.785 -3.534 1.00 0.00 C ATOM 577 C GLY B 5 -3.353 18.951 -2.427 1.00 0.00 C ATOM 578 O GLY B 5 -2.728 17.922 -2.685 1.00 0.00 O ATOM 0 H GLY B 5 -2.853 21.553 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -5.052 19.561 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -3.545 19.519 -4.494 1.00 0.00 H new ATOM 582 N MET B 6 -3.522 19.408 -1.189 1.00 0.00 N ATOM 583 CA MET B 6 -2.963 18.696 -0.043 1.00 0.00 C ATOM 584 C MET B 6 -3.819 17.481 0.299 1.00 0.00 C ATOM 585 O MET B 6 -3.353 16.341 0.246 1.00 0.00 O ATOM 586 CB MET B 6 -2.895 19.616 1.178 1.00 0.00 C ATOM 587 CG MET B 6 -1.910 19.041 2.197 1.00 0.00 C ATOM 588 SD MET B 6 -2.780 17.900 3.300 1.00 0.00 S ATOM 589 CE MET B 6 -1.968 18.405 4.836 1.00 0.00 C ATOM 0 H MET B 6 -4.035 20.258 -0.955 1.00 0.00 H new ATOM 0 HA MET B 6 -1.957 18.370 -0.308 1.00 0.00 H new ATOM 0 HB2 MET B 6 -2.581 20.615 0.876 1.00 0.00 H new ATOM 0 HB3 MET B 6 -3.883 19.715 1.627 1.00 0.00 H new ATOM 0 HG2 MET B 6 -1.101 18.521 1.684 1.00 0.00 H new ATOM 0 HG3 MET B 6 -1.456 19.846 2.774 1.00 0.00 H new ATOM 0 HE1 MET B 6 -2.361 17.817 5.666 1.00 0.00 H new ATOM 0 HE2 MET B 6 -0.894 18.240 4.751 1.00 0.00 H new ATOM 0 HE3 MET B 6 -2.159 19.463 5.018 1.00 0.00 H new ATOM 599 N ARG B 7 -5.075 17.737 0.649 1.00 0.00 N ATOM 600 CA ARG B 7 -5.994 16.656 0.998 1.00 0.00 C ATOM 601 C ARG B 7 -6.275 15.782 -0.220 1.00 0.00 C ATOM 602 O ARG B 7 -6.483 14.574 -0.101 1.00 0.00 O ATOM 603 CB ARG B 7 -7.315 17.223 1.522 1.00 0.00 C ATOM 604 CG ARG B 7 -7.230 17.397 3.039 1.00 0.00 C ATOM 605 CD ARG B 7 -7.338 16.029 3.716 1.00 0.00 C ATOM 606 NE ARG B 7 -8.740 15.680 3.955 1.00 0.00 N ATOM 607 CZ ARG B 7 -9.465 16.262 4.922 1.00 0.00 C ATOM 608 NH1 ARG B 7 -8.946 17.178 5.704 1.00 0.00 N ATOM 609 NH2 ARG B 7 -10.711 15.911 5.086 1.00 0.00 N ATOM 0 H ARG B 7 -5.478 18.673 0.699 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.525 16.054 1.776 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -7.526 18.181 1.047 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -8.137 16.553 1.268 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -6.288 17.875 3.309 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -8.030 18.051 3.386 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -6.871 15.269 3.089 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -6.795 16.041 4.661 1.00 0.00 H new ATOM 0 HE ARG B 7 -9.179 14.972 3.367 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -7.973 17.460 5.583 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -9.515 17.608 6.433 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -11.124 15.201 4.482 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -11.272 16.347 5.818 1.00 0.00 H new ATOM 623 N ARG B 8 -6.279 16.407 -1.395 1.00 0.00 N ATOM 624 CA ARG B 8 -6.537 15.678 -2.633 1.00 0.00 C ATOM 625 C ARG B 8 -5.464 14.617 -2.859 1.00 0.00 C ATOM 626 O ARG B 8 -5.762 13.483 -3.238 1.00 0.00 O ATOM 627 CB ARG B 8 -6.548 16.635 -3.827 1.00 0.00 C ATOM 628 CG ARG B 8 -7.506 16.107 -4.897 1.00 0.00 C ATOM 629 CD ARG B 8 -8.102 17.283 -5.674 1.00 0.00 C ATOM 630 NE ARG B 8 -7.047 18.042 -6.353 1.00 0.00 N ATOM 631 CZ ARG B 8 -6.475 17.607 -7.485 1.00 0.00 C ATOM 632 NH1 ARG B 8 -6.837 16.475 -8.042 1.00 0.00 N ATOM 633 NH2 ARG B 8 -5.540 18.326 -8.045 1.00 0.00 N ATOM 0 H ARG B 8 -6.109 17.405 -1.515 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.512 15.198 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.857 17.630 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -5.543 16.731 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -6.977 15.439 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.301 15.524 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.821 16.915 -6.406 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.647 17.937 -4.993 1.00 0.00 H new ATOM 0 HE ARG B 8 -6.739 18.928 -5.952 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -7.567 15.906 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -6.388 16.164 -8.903 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -5.252 19.208 -7.621 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -5.097 18.006 -8.906 1.00 0.00 H new ATOM 647 N LYS B 9 -4.213 14.996 -2.622 1.00 0.00 N ATOM 648 CA LYS B 9 -3.099 14.070 -2.802 1.00 0.00 C ATOM 649 C LYS B 9 -3.047 13.072 -1.650 1.00 0.00 C ATOM 650 O LYS B 9 -2.812 11.881 -1.853 1.00 0.00 O ATOM 651 CB LYS B 9 -1.774 14.833 -2.862 1.00 0.00 C ATOM 652 CG LYS B 9 -1.550 15.357 -4.282 1.00 0.00 C ATOM 653 CD LYS B 9 -0.722 14.346 -5.076 1.00 0.00 C ATOM 654 CE LYS B 9 0.079 15.076 -6.155 1.00 0.00 C ATOM 655 NZ LYS B 9 1.360 14.354 -6.398 1.00 0.00 N ATOM 0 H LYS B 9 -3.945 15.929 -2.308 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.252 13.535 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.788 15.662 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.952 14.179 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -2.508 15.524 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.036 16.318 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.048 13.809 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -1.376 13.604 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.500 15.132 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.280 16.101 -5.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.905 14.851 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.913 14.323 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.157 13.384 -6.714 1.00 0.00 H new ATOM 669 N ASN B 10 -3.267 13.574 -0.438 1.00 0.00 N ATOM 670 CA ASN B 10 -3.244 12.717 0.745 1.00 0.00 C ATOM 671 C ASN B 10 -4.386 11.708 0.694 1.00 0.00 C ATOM 672 O ASN B 10 -4.236 10.556 1.100 1.00 0.00 O ATOM 673 CB ASN B 10 -3.374 13.557 2.017 1.00 0.00 C ATOM 674 CG ASN B 10 -2.010 14.125 2.393 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.204 13.451 3.034 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.701 15.341 2.031 1.00 0.00 N ATOM 0 H ASN B 10 -3.461 14.557 -0.249 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.292 12.186 0.758 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.086 14.367 1.859 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.762 12.945 2.831 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.792 15.732 2.279 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.368 15.900 1.500 1.00 0.00 H new ATOM 683 N ASP B 11 -5.533 12.158 0.192 1.00 0.00 N ATOM 684 CA ASP B 11 -6.702 11.288 0.092 1.00 0.00 C ATOM 685 C ASP B 11 -6.414 10.117 -0.843 1.00 0.00 C ATOM 686 O ASP B 11 -6.714 8.964 -0.529 1.00 0.00 O ATOM 687 CB ASP B 11 -7.907 12.067 -0.441 1.00 0.00 C ATOM 688 CG ASP B 11 -9.161 11.207 -0.324 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.626 11.019 0.788 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.639 10.748 -1.350 1.00 0.00 O ATOM 0 H ASP B 11 -5.678 13.109 -0.148 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.928 10.911 1.090 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -8.034 12.992 0.122 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.741 12.347 -1.481 1.00 0.00 H new ATOM 695 N THR B 12 -5.831 10.427 -1.997 1.00 0.00 N ATOM 696 CA THR B 12 -5.505 9.393 -2.976 1.00 0.00 C ATOM 697 C THR B 12 -4.502 8.404 -2.392 1.00 0.00 C ATOM 698 O THR B 12 -4.522 7.215 -2.713 1.00 0.00 O ATOM 699 CB THR B 12 -4.908 10.020 -4.239 1.00 0.00 C ATOM 700 OG1 THR B 12 -3.788 10.818 -3.884 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.962 10.891 -4.925 1.00 0.00 C ATOM 0 H THR B 12 -5.577 11.374 -2.276 1.00 0.00 H new ATOM 0 HA THR B 12 -6.426 8.869 -3.231 1.00 0.00 H new ATOM 0 HB THR B 12 -4.591 9.232 -4.923 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.805 10.995 -2.920 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.536 11.337 -5.824 1.00 0.00 H new ATOM 0 HG22 THR B 12 -6.821 10.277 -5.196 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.281 11.680 -4.244 1.00 0.00 H new ATOM 709 N HIS B 13 -3.625 8.908 -1.528 1.00 0.00 N ATOM 710 CA HIS B 13 -2.617 8.061 -0.899 1.00 0.00 C ATOM 711 C HIS B 13 -3.267 7.109 0.100 1.00 0.00 C ATOM 712 O HIS B 13 -2.849 5.961 0.250 1.00 0.00 O ATOM 713 CB HIS B 13 -1.579 8.914 -0.168 1.00 0.00 C ATOM 714 CG HIS B 13 -0.622 9.506 -1.165 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.161 8.721 -1.997 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.309 10.808 -1.473 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.899 9.549 -2.759 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.652 10.831 -2.480 1.00 0.00 N ATOM 0 H HIS B 13 -3.592 9.889 -1.250 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.127 7.486 -1.684 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.074 9.707 0.392 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.036 8.305 0.555 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.742 11.680 -1.006 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.605 9.217 -3.506 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.077 11.652 -2.912 1.00 0.00 H new ATOM 726 N GLN B 14 -4.295 7.603 0.782 1.00 0.00 N ATOM 727 CA GLN B 14 -5.002 6.794 1.770 1.00 0.00 C ATOM 728 C GLN B 14 -5.834 5.717 1.083 1.00 0.00 C ATOM 729 O GLN B 14 -5.855 4.563 1.510 1.00 0.00 O ATOM 730 CB GLN B 14 -5.926 7.671 2.618 1.00 0.00 C ATOM 731 CG GLN B 14 -6.277 6.938 3.916 1.00 0.00 C ATOM 732 CD GLN B 14 -7.068 7.869 4.828 1.00 0.00 C ATOM 733 OE1 GLN B 14 -7.729 8.795 4.358 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.039 7.676 6.118 1.00 0.00 N ATOM 0 H GLN B 14 -4.655 8.551 0.671 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.258 6.323 2.412 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.438 8.619 2.844 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.834 7.904 2.062 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.862 6.045 3.695 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.367 6.608 4.417 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.491 6.908 6.507 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.564 8.293 6.738 1.00 0.00 H new ATOM 743 N GLN B 15 -6.521 6.108 0.013 1.00 0.00 N ATOM 744 CA GLN B 15 -7.356 5.167 -0.730 1.00 0.00 C ATOM 745 C GLN B 15 -6.509 4.035 -1.300 1.00 0.00 C ATOM 746 O GLN B 15 -6.794 2.857 -1.082 1.00 0.00 O ATOM 747 CB GLN B 15 -8.074 5.879 -1.879 1.00 0.00 C ATOM 748 CG GLN B 15 -9.439 5.226 -2.112 1.00 0.00 C ATOM 749 CD GLN B 15 -10.505 5.979 -1.322 1.00 0.00 C ATOM 750 OE1 GLN B 15 -11.067 5.447 -0.364 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.819 7.196 -1.670 1.00 0.00 N ATOM 0 H GLN B 15 -6.517 7.059 -0.356 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.093 4.756 -0.040 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.200 6.936 -1.644 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.473 5.824 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.683 5.237 -3.174 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.412 4.181 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.353 7.636 -2.464 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.531 7.708 -1.149 1.00 0.00 H new ATOM 760 N ASP B 16 -5.462 4.403 -2.035 1.00 0.00 N ATOM 761 CA ASP B 16 -4.574 3.409 -2.634 1.00 0.00 C ATOM 762 C ASP B 16 -3.923 2.555 -1.549 1.00 0.00 C ATOM 763 O ASP B 16 -3.816 1.336 -1.679 1.00 0.00 O ATOM 764 CB ASP B 16 -3.481 4.091 -3.456 1.00 0.00 C ATOM 765 CG ASP B 16 -3.037 3.166 -4.583 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.880 2.791 -5.381 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.861 2.846 -4.633 1.00 0.00 O ATOM 0 H ASP B 16 -5.209 5.372 -2.229 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.172 2.774 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.853 5.029 -3.867 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.632 4.337 -2.818 1.00 0.00 H new ATOM 772 N ILE B 17 -3.493 3.213 -0.477 1.00 0.00 N ATOM 773 CA ILE B 17 -2.854 2.511 0.635 1.00 0.00 C ATOM 774 C ILE B 17 -3.828 1.506 1.251 1.00 0.00 C ATOM 775 O ILE B 17 -3.678 0.294 1.098 1.00 0.00 O ATOM 776 CB ILE B 17 -2.393 3.529 1.707 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.057 4.136 1.275 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.220 2.863 3.088 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.698 5.296 2.203 1.00 0.00 C ATOM 0 H ILE B 17 -3.573 4.222 -0.353 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.984 1.973 0.260 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.159 4.300 1.796 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.275 3.378 1.305 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.121 4.487 0.245 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.896 3.609 3.814 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.170 2.435 3.407 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.471 2.074 3.020 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.254 5.728 1.894 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.476 6.058 2.151 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.616 4.931 3.227 1.00 0.00 H new ATOM 791 N ASP B 18 -4.808 2.039 1.982 1.00 0.00 N ATOM 792 CA ASP B 18 -5.796 1.206 2.667 1.00 0.00 C ATOM 793 C ASP B 18 -6.331 0.097 1.755 1.00 0.00 C ATOM 794 O ASP B 18 -6.654 -1.000 2.212 1.00 0.00 O ATOM 795 CB ASP B 18 -6.967 2.068 3.153 1.00 0.00 C ATOM 796 CG ASP B 18 -6.743 2.466 4.609 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.462 1.586 5.406 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.857 3.644 4.905 1.00 0.00 O ATOM 0 H ASP B 18 -4.938 3.042 2.115 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.298 0.741 3.518 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.057 2.959 2.532 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.902 1.516 3.056 1.00 0.00 H new ATOM 803 N ASP B 19 -6.410 0.395 0.460 1.00 0.00 N ATOM 804 CA ASP B 19 -6.895 -0.587 -0.505 1.00 0.00 C ATOM 805 C ASP B 19 -5.880 -1.714 -0.650 1.00 0.00 C ATOM 806 O ASP B 19 -6.237 -2.890 -0.722 1.00 0.00 O ATOM 807 CB ASP B 19 -7.119 0.067 -1.872 1.00 0.00 C ATOM 808 CG ASP B 19 -7.805 -0.924 -2.806 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.230 -1.975 -3.048 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.893 -0.621 -3.265 1.00 0.00 O ATOM 0 H ASP B 19 -6.148 1.296 0.059 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.842 -0.987 -0.142 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.731 0.962 -1.762 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.166 0.382 -2.296 1.00 0.00 H new ATOM 815 N LEU B 20 -4.605 -1.338 -0.683 1.00 0.00 N ATOM 816 CA LEU B 20 -3.530 -2.317 -0.808 1.00 0.00 C ATOM 817 C LEU B 20 -3.434 -3.151 0.464 1.00 0.00 C ATOM 818 O LEU B 20 -3.134 -4.345 0.424 1.00 0.00 O ATOM 819 CB LEU B 20 -2.190 -1.616 -1.043 1.00 0.00 C ATOM 820 CG LEU B 20 -2.165 -1.015 -2.448 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.054 0.034 -2.535 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.903 -2.121 -3.472 1.00 0.00 C ATOM 0 H LEU B 20 -4.292 -0.369 -0.625 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.754 -2.962 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.042 -0.833 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.371 -2.326 -0.926 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.126 -0.545 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.036 0.463 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.240 0.823 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.093 -0.435 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.885 -1.692 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.943 -2.592 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.694 -2.868 -3.411 1.00 0.00 H new ATOM 834 N LYS B 21 -3.693 -2.503 1.597 1.00 0.00 N ATOM 835 CA LYS B 21 -3.636 -3.183 2.887 1.00 0.00 C ATOM 836 C LYS B 21 -4.722 -4.251 2.975 1.00 0.00 C ATOM 837 O LYS B 21 -4.463 -5.389 3.365 1.00 0.00 O ATOM 838 CB LYS B 21 -3.831 -2.178 4.027 1.00 0.00 C ATOM 839 CG LYS B 21 -3.003 -2.610 5.239 1.00 0.00 C ATOM 840 CD LYS B 21 -3.211 -1.614 6.381 1.00 0.00 C ATOM 841 CE LYS B 21 -2.421 -0.335 6.093 1.00 0.00 C ATOM 842 NZ LYS B 21 -2.442 0.543 7.296 1.00 0.00 N ATOM 0 H LYS B 21 -3.943 -1.515 1.648 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.657 -3.653 2.979 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.528 -1.182 3.703 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.885 -2.119 4.297 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.298 -3.610 5.556 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.947 -2.659 4.973 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -4.271 -1.383 6.488 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.883 -2.052 7.324 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.393 -0.582 5.828 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -2.854 0.188 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -1.905 1.412 7.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -3.425 0.788 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -2.010 0.042 8.099 1.00 0.00 H new ATOM 856 N ARG B 22 -5.942 -3.868 2.605 1.00 0.00 N ATOM 857 CA ARG B 22 -7.066 -4.799 2.644 1.00 0.00 C ATOM 858 C ARG B 22 -6.820 -5.972 1.700 1.00 0.00 C ATOM 859 O ARG B 22 -7.046 -7.130 2.051 1.00 0.00 O ATOM 860 CB ARG B 22 -8.360 -4.093 2.235 1.00 0.00 C ATOM 861 CG ARG B 22 -8.951 -3.366 3.447 1.00 0.00 C ATOM 862 CD ARG B 22 -10.479 -3.419 3.381 1.00 0.00 C ATOM 863 NE ARG B 22 -11.011 -2.216 2.738 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.323 -1.938 2.722 1.00 0.00 C ATOM 865 NH1 ARG B 22 -13.196 -2.740 3.285 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.741 -0.849 2.135 1.00 0.00 N ATOM 0 H ARG B 22 -6.176 -2.930 2.278 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.161 -5.168 3.665 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.161 -3.382 1.433 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.076 -4.818 1.848 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.600 -3.830 4.369 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.613 -2.330 3.463 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.794 -4.303 2.827 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.889 -3.511 4.387 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.363 -1.569 2.288 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.881 -3.594 3.746 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -14.189 -2.510 3.261 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.072 -0.218 1.694 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.737 -0.629 2.118 1.00 0.00 H new ATOM 880 N GLN B 23 -6.352 -5.657 0.495 1.00 0.00 N ATOM 881 CA GLN B 23 -6.076 -6.692 -0.498 1.00 0.00 C ATOM 882 C GLN B 23 -4.930 -7.584 -0.031 1.00 0.00 C ATOM 883 O GLN B 23 -5.059 -8.806 0.027 1.00 0.00 O ATOM 884 CB GLN B 23 -5.701 -6.060 -1.840 1.00 0.00 C ATOM 885 CG GLN B 23 -5.629 -7.146 -2.915 1.00 0.00 C ATOM 886 CD GLN B 23 -7.021 -7.718 -3.157 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.005 -6.979 -3.200 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.166 -9.005 -3.319 1.00 0.00 N ATOM 0 H GLN B 23 -6.158 -4.705 0.185 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.978 -7.292 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.439 -5.307 -2.118 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.741 -5.551 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.230 -6.730 -3.840 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.949 -7.938 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.352 -9.618 -3.284 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -8.093 -9.397 -3.481 1.00 0.00 H new ATOM 897 N ASN B 24 -3.804 -6.956 0.299 1.00 0.00 N ATOM 898 CA ASN B 24 -2.635 -7.699 0.760 1.00 0.00 C ATOM 899 C ASN B 24 -2.952 -8.447 2.052 1.00 0.00 C ATOM 900 O ASN B 24 -2.431 -9.533 2.301 1.00 0.00 O ATOM 901 CB ASN B 24 -1.463 -6.748 1.010 1.00 0.00 C ATOM 902 CG ASN B 24 -1.093 -6.037 -0.289 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.901 -5.958 -1.216 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.093 -5.509 -0.411 1.00 0.00 N ATOM 0 H ASN B 24 -3.677 -5.945 0.256 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.364 -8.415 -0.016 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.731 -6.017 1.773 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.605 -7.304 1.389 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.352 -5.031 -1.274 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.762 -5.574 0.356 1.00 0.00 H new ATOM 911 N ALA B 25 -3.814 -7.851 2.870 1.00 0.00 N ATOM 912 CA ALA B 25 -4.198 -8.465 4.139 1.00 0.00 C ATOM 913 C ALA B 25 -4.880 -9.809 3.898 1.00 0.00 C ATOM 914 O ALA B 25 -4.447 -10.841 4.409 1.00 0.00 O ATOM 915 CB ALA B 25 -5.154 -7.552 4.908 1.00 0.00 C ATOM 0 H ALA B 25 -4.257 -6.952 2.681 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.292 -8.618 4.725 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.430 -8.025 5.851 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.664 -6.599 5.110 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.051 -7.380 4.313 1.00 0.00 H new ATOM 921 N LEU B 26 -5.952 -9.782 3.112 1.00 0.00 N ATOM 922 CA LEU B 26 -6.692 -11.003 2.806 1.00 0.00 C ATOM 923 C LEU B 26 -5.801 -11.999 2.069 1.00 0.00 C ATOM 924 O LEU B 26 -5.944 -13.211 2.219 1.00 0.00 O ATOM 925 CB LEU B 26 -7.911 -10.688 1.936 1.00 0.00 C ATOM 926 CG LEU B 26 -9.023 -11.695 2.230 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.893 -11.176 3.376 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.886 -11.880 0.979 1.00 0.00 C ATOM 0 H LEU B 26 -6.325 -8.937 2.679 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.021 -11.439 3.749 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.261 -9.675 2.136 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.638 -10.729 0.881 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.582 -12.651 2.513 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.686 -11.894 3.585 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.280 -11.043 4.267 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.335 -10.220 3.094 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.679 -12.598 1.187 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.327 -10.924 0.696 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.267 -12.250 0.162 1.00 0.00 H new ATOM 940 N LEU B 27 -4.877 -11.470 1.271 1.00 0.00 N ATOM 941 CA LEU B 27 -3.963 -12.319 0.512 1.00 0.00 C ATOM 942 C LEU B 27 -3.076 -13.125 1.457 1.00 0.00 C ATOM 943 O LEU B 27 -3.078 -14.355 1.434 1.00 0.00 O ATOM 944 CB LEU B 27 -3.078 -11.471 -0.403 1.00 0.00 C ATOM 945 CG LEU B 27 -3.895 -10.996 -1.605 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.143 -9.872 -2.320 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.105 -12.163 -2.571 1.00 0.00 C ATOM 0 H LEU B 27 -4.742 -10.468 1.134 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.561 -13.000 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.685 -10.614 0.145 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.221 -12.054 -0.740 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.862 -10.627 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.725 -9.533 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.992 -9.040 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.176 -10.241 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.687 -11.825 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.138 -12.532 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.640 -12.965 -2.062 1.00 0.00 H new ATOM 959 N GLU B 28 -2.318 -12.416 2.289 1.00 0.00 N ATOM 960 CA GLU B 28 -1.424 -13.068 3.243 1.00 0.00 C ATOM 961 C GLU B 28 -2.224 -13.943 4.199 1.00 0.00 C ATOM 962 O GLU B 28 -1.801 -15.038 4.571 1.00 0.00 O ATOM 963 CB GLU B 28 -0.652 -12.028 4.066 1.00 0.00 C ATOM 964 CG GLU B 28 -0.101 -10.923 3.152 1.00 0.00 C ATOM 965 CD GLU B 28 1.416 -10.832 3.296 1.00 0.00 C ATOM 966 OE1 GLU B 28 2.086 -11.775 2.910 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.885 -9.819 3.790 1.00 0.00 O ATOM 0 H GLU B 28 -2.304 -11.397 2.323 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.720 -13.678 2.676 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.308 -11.592 4.820 1.00 0.00 H new ATOM 0 HB3 GLU B 28 0.168 -12.511 4.598 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.364 -11.133 2.115 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.557 -9.967 3.409 1.00 0.00 H new ATOM 974 N GLN B 29 -3.392 -13.442 4.591 1.00 0.00 N ATOM 975 CA GLN B 29 -4.268 -14.172 5.509 1.00 0.00 C ATOM 976 C GLN B 29 -4.586 -15.568 4.969 1.00 0.00 C ATOM 977 O GLN B 29 -4.828 -16.503 5.734 1.00 0.00 O ATOM 978 CB GLN B 29 -5.579 -13.411 5.716 1.00 0.00 C ATOM 979 CG GLN B 29 -6.248 -13.889 7.006 1.00 0.00 C ATOM 980 CD GLN B 29 -7.761 -13.763 6.872 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.291 -12.659 6.743 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.497 -14.840 6.892 1.00 0.00 N ATOM 0 H GLN B 29 -3.755 -12.537 4.290 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.743 -14.266 6.460 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.385 -12.340 5.770 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.244 -13.573 4.867 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.975 -14.925 7.207 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.897 -13.297 7.851 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -8.059 -15.755 6.999 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.510 -14.767 6.801 1.00 0.00 H new ATOM 991 N GLN B 30 -4.581 -15.698 3.645 1.00 0.00 N ATOM 992 CA GLN B 30 -4.867 -16.985 3.016 1.00 0.00 C ATOM 993 C GLN B 30 -3.570 -17.735 2.721 1.00 0.00 C ATOM 994 O GLN B 30 -3.524 -18.964 2.758 1.00 0.00 O ATOM 995 CB GLN B 30 -5.633 -16.782 1.707 1.00 0.00 C ATOM 996 CG GLN B 30 -6.308 -18.095 1.301 1.00 0.00 C ATOM 997 CD GLN B 30 -7.087 -17.889 0.007 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.701 -17.076 -0.835 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.171 -18.582 -0.205 1.00 0.00 N ATOM 0 H GLN B 30 -4.385 -14.938 2.993 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.475 -17.569 3.707 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.381 -15.999 1.829 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -4.952 -16.453 0.922 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -5.558 -18.875 1.166 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.979 -18.431 2.092 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.491 -19.255 0.492 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.699 -18.451 -1.068 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.516 -16.977 2.427 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.218 -17.575 2.124 1.00 0.00 C ATOM 1010 C VAL B 31 -0.622 -18.216 3.377 1.00 0.00 C ATOM 1011 O VAL B 31 0.041 -19.250 3.304 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.252 -16.509 1.593 1.00 0.00 C ATOM 1013 CG1 VAL B 31 1.055 -17.170 1.144 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.893 -15.781 0.401 1.00 0.00 C ATOM 0 H VAL B 31 -2.534 -15.958 2.392 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.365 -18.341 1.363 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.039 -15.792 2.386 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.738 -16.408 0.768 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.513 -17.682 1.990 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.845 -17.891 0.354 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.205 -15.024 0.025 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.110 -16.499 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.819 -15.303 0.722 1.00 0.00 H new ATOM 1024 N ARG B 32 -0.863 -17.589 4.525 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.342 -18.108 5.788 1.00 0.00 C ATOM 1026 C ARG B 32 -0.892 -19.505 6.065 1.00 0.00 C ATOM 1027 O ARG B 32 -0.224 -20.345 6.666 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.718 -17.181 6.949 1.00 0.00 C ATOM 1029 CG ARG B 32 -2.238 -17.003 6.996 1.00 0.00 C ATOM 1030 CD ARG B 32 -2.620 -16.192 8.236 1.00 0.00 C ATOM 1031 NE ARG B 32 -2.040 -16.788 9.441 1.00 0.00 N ATOM 1032 CZ ARG B 32 -1.976 -16.125 10.605 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -2.436 -14.901 10.716 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -1.448 -16.706 11.647 1.00 0.00 N ATOM 0 H ARG B 32 -1.409 -16.731 4.608 1.00 0.00 H new ATOM 0 HA ARG B 32 0.744 -18.159 5.704 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -0.362 -17.599 7.891 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.232 -16.213 6.826 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -2.583 -16.495 6.096 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -2.728 -17.976 7.020 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.271 -15.165 8.127 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -3.705 -16.151 8.330 1.00 0.00 H new ATOM 0 HE ARG B 32 -1.673 -17.738 9.394 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -2.851 -14.437 9.908 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -2.378 -14.414 11.610 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -1.088 -17.657 11.573 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -1.395 -16.209 12.536 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.122 -19.742 5.615 1.00 0.00 N ATOM 1049 CA ALA B 33 -2.758 -21.041 5.817 1.00 0.00 C ATOM 1050 C ALA B 33 -2.275 -22.039 4.771 1.00 0.00 C ATOM 1051 O ALA B 33 -1.976 -23.191 5.082 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.279 -20.914 5.719 1.00 0.00 C ATOM 0 H ALA B 33 -2.692 -19.061 5.114 1.00 0.00 H new ATOM 0 HA ALA B 33 -2.487 -21.397 6.811 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -4.736 -21.892 5.872 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.636 -20.223 6.482 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -4.550 -20.537 4.733 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.201 -21.581 3.524 1.00 0.00 N ATOM 1059 CA LEU B 34 -1.752 -22.440 2.433 1.00 0.00 C ATOM 1060 C LEU B 34 -0.244 -22.316 2.242 1.00 0.00 C ATOM 1061 O LEU B 34 0.243 -21.340 1.670 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.451 -22.057 1.126 1.00 0.00 C ATOM 1063 CG LEU B 34 -3.776 -22.813 1.015 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -4.841 -22.106 1.855 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.222 -22.845 -0.448 1.00 0.00 C ATOM 0 H LEU B 34 -2.443 -20.630 3.246 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.003 -23.469 2.692 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.630 -20.982 1.098 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.812 -22.296 0.276 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.644 -23.832 1.379 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.785 -22.646 1.775 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.524 -22.081 2.898 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.974 -21.087 1.492 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.166 -23.384 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.353 -21.826 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.464 -23.349 -1.048 1.00 0.00 H new HETATM 1077 N NH2 B 35 0.536 -23.260 2.694 1.00 0.00 N TER 1080 NH2 B 35