USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=4 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 Set 1.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 29 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-2) USER MOD Single : A 7 GLN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.702 X(o=-0.7,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : B 6 MET CE :methyl -168:sc= -3.04! (180deg=-3.14) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.408 K(o=-0.41,f=-5.7!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HE2:sc= -3.03 K(o=-3,f=-3.8!) USER MOD Single : B 14 GLN : amide:sc=-0.00461 X(o=-0.0046,f=-0.12) USER MOD Single : B 15 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.26) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : B 24 ASN : amide:sc= -8.02! C(o=-8!,f=-16!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 -2.148 23.346 8.977 1.00 0.00 C HETATM 2 O ACE A 2 -1.194 24.031 9.343 1.00 0.00 O HETATM 3 CH3 ACE A 2 -3.491 23.416 9.696 1.00 0.00 C HETATM 0 H1 ACE A 2 -4.262 23.737 8.996 1.00 0.00 H new HETATM 0 H2 ACE A 2 -3.745 22.432 10.090 1.00 0.00 H new HETATM 0 H3 ACE A 2 -3.427 24.130 10.517 1.00 0.00 H new ATOM 7 N CYS A 3 -2.086 22.505 7.945 1.00 0.00 N ATOM 8 CA CYS A 3 -0.856 22.347 7.172 1.00 0.00 C ATOM 9 C CYS A 3 0.276 21.848 8.066 1.00 0.00 C ATOM 10 O CYS A 3 0.862 22.609 8.835 1.00 0.00 O ATOM 11 CB CYS A 3 -0.441 23.676 6.539 1.00 0.00 C ATOM 12 SG CYS A 3 -1.776 24.278 5.475 1.00 0.00 S ATOM 0 H CYS A 3 -2.865 21.928 7.628 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.048 21.617 6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.222 24.409 7.316 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.472 23.545 5.957 1.00 0.00 H new ATOM 17 N GLY A 4 0.576 20.557 7.956 1.00 0.00 N ATOM 18 CA GLY A 4 1.641 19.961 8.758 1.00 0.00 C ATOM 19 C GLY A 4 2.694 19.314 7.865 1.00 0.00 C ATOM 20 O GLY A 4 3.007 18.132 8.005 1.00 0.00 O ATOM 0 H GLY A 4 0.103 19.909 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.106 20.726 9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.221 19.214 9.432 1.00 0.00 H new ATOM 24 N GLY A 5 3.235 20.104 6.942 1.00 0.00 N ATOM 25 CA GLY A 5 4.253 19.600 6.025 1.00 0.00 C ATOM 26 C GLY A 5 3.681 18.507 5.129 1.00 0.00 C ATOM 27 O GLY A 5 3.787 17.319 5.429 1.00 0.00 O ATOM 0 H GLY A 5 2.989 21.085 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.633 20.417 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.097 19.207 6.592 1.00 0.00 H new ATOM 31 N VAL A 6 3.070 18.925 4.024 1.00 0.00 N ATOM 32 CA VAL A 6 2.482 17.975 3.085 1.00 0.00 C ATOM 33 C VAL A 6 3.579 17.290 2.265 1.00 0.00 C ATOM 34 O VAL A 6 3.454 16.128 1.884 1.00 0.00 O ATOM 35 CB VAL A 6 1.494 18.691 2.149 1.00 0.00 C ATOM 36 CG1 VAL A 6 2.227 19.753 1.324 1.00 0.00 C ATOM 37 CG2 VAL A 6 0.836 17.675 1.208 1.00 0.00 C ATOM 0 H VAL A 6 2.970 19.905 3.759 1.00 0.00 H new ATOM 0 HA VAL A 6 1.942 17.217 3.652 1.00 0.00 H new ATOM 0 HB VAL A 6 0.726 19.174 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.519 20.254 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.680 20.485 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.005 19.277 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.138 18.190 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.603 17.182 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.299 16.930 1.795 1.00 0.00 H new ATOM 47 N GLN A 7 4.652 18.030 2.002 1.00 0.00 N ATOM 48 CA GLN A 7 5.766 17.489 1.227 1.00 0.00 C ATOM 49 C GLN A 7 6.392 16.303 1.954 1.00 0.00 C ATOM 50 O GLN A 7 6.783 15.312 1.334 1.00 0.00 O ATOM 51 CB GLN A 7 6.837 18.559 1.006 1.00 0.00 C ATOM 52 CG GLN A 7 6.525 19.334 -0.276 1.00 0.00 C ATOM 53 CD GLN A 7 7.317 20.637 -0.288 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.114 20.877 -1.195 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.144 21.502 0.673 1.00 0.00 N ATOM 0 H GLN A 7 4.775 18.995 2.309 1.00 0.00 H new ATOM 0 HA GLN A 7 5.377 17.162 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.868 19.239 1.857 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.821 18.095 0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.781 18.733 -1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.457 19.544 -0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.484 21.304 1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.669 22.377 0.673 1.00 0.00 H new ATOM 64 N ALA A 8 6.483 16.415 3.275 1.00 0.00 N ATOM 65 CA ALA A 8 7.064 15.347 4.084 1.00 0.00 C ATOM 66 C ALA A 8 6.059 14.215 4.274 1.00 0.00 C ATOM 67 O ALA A 8 6.426 13.041 4.330 1.00 0.00 O ATOM 68 CB ALA A 8 7.480 15.881 5.456 1.00 0.00 C ATOM 0 H ALA A 8 6.165 17.226 3.805 1.00 0.00 H new ATOM 0 HA ALA A 8 7.942 14.968 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.911 15.072 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.219 16.672 5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.606 16.280 5.971 1.00 0.00 H new ATOM 74 N GLU A 9 4.784 14.582 4.370 1.00 0.00 N ATOM 75 CA GLU A 9 3.727 13.591 4.555 1.00 0.00 C ATOM 76 C GLU A 9 3.462 12.848 3.248 1.00 0.00 C ATOM 77 O GLU A 9 3.112 11.668 3.248 1.00 0.00 O ATOM 78 CB GLU A 9 2.434 14.266 5.016 1.00 0.00 C ATOM 79 CG GLU A 9 2.461 14.436 6.537 1.00 0.00 C ATOM 80 CD GLU A 9 1.240 15.235 6.982 1.00 0.00 C ATOM 81 OE1 GLU A 9 1.293 16.451 6.908 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.271 14.616 7.391 1.00 0.00 O ATOM 0 H GLU A 9 4.459 15.548 4.323 1.00 0.00 H new ATOM 0 HA GLU A 9 4.057 12.884 5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.326 15.237 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.573 13.666 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.467 13.460 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.374 14.948 6.840 1.00 0.00 H new ATOM 89 N GLU A 10 3.630 13.554 2.133 1.00 0.00 N ATOM 90 CA GLU A 10 3.405 12.954 0.821 1.00 0.00 C ATOM 91 C GLU A 10 4.493 11.933 0.506 1.00 0.00 C ATOM 92 O GLU A 10 4.212 10.823 0.054 1.00 0.00 O ATOM 93 CB GLU A 10 3.403 14.029 -0.268 1.00 0.00 C ATOM 94 CG GLU A 10 2.822 13.448 -1.558 1.00 0.00 C ATOM 95 CD GLU A 10 3.221 14.328 -2.738 1.00 0.00 C ATOM 96 OE1 GLU A 10 3.164 15.539 -2.596 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.577 13.778 -3.768 1.00 0.00 O ATOM 0 H GLU A 10 3.918 14.532 2.111 1.00 0.00 H new ATOM 0 HA GLU A 10 2.435 12.457 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.814 14.887 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.418 14.387 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.187 12.432 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.736 13.389 -1.486 1.00 0.00 H new ATOM 104 N GLN A 11 5.742 12.322 0.750 1.00 0.00 N ATOM 105 CA GLN A 11 6.872 11.433 0.488 1.00 0.00 C ATOM 106 C GLN A 11 6.765 10.162 1.328 1.00 0.00 C ATOM 107 O GLN A 11 7.207 9.090 0.918 1.00 0.00 O ATOM 108 CB GLN A 11 8.195 12.135 0.810 1.00 0.00 C ATOM 109 CG GLN A 11 8.177 12.634 2.257 1.00 0.00 C ATOM 110 CD GLN A 11 9.559 13.154 2.633 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.907 14.293 2.321 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.376 12.380 3.293 1.00 0.00 N ATOM 0 H GLN A 11 5.996 13.236 1.124 1.00 0.00 H new ATOM 0 HA GLN A 11 6.849 11.169 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.028 11.447 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.349 12.972 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.436 13.425 2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.886 11.826 2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.088 11.436 3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.303 12.719 3.551 1.00 0.00 H new ATOM 121 N LYS A 12 6.172 10.296 2.511 1.00 0.00 N ATOM 122 CA LYS A 12 6.010 9.153 3.407 1.00 0.00 C ATOM 123 C LYS A 12 4.863 8.264 2.938 1.00 0.00 C ATOM 124 O LYS A 12 4.902 7.044 3.091 1.00 0.00 O ATOM 125 CB LYS A 12 5.725 9.627 4.833 1.00 0.00 C ATOM 126 CG LYS A 12 6.171 8.552 5.826 1.00 0.00 C ATOM 127 CD LYS A 12 7.662 8.723 6.129 1.00 0.00 C ATOM 128 CE LYS A 12 7.979 8.115 7.496 1.00 0.00 C ATOM 129 NZ LYS A 12 9.452 7.943 7.635 1.00 0.00 N ATOM 0 H LYS A 12 5.799 11.175 2.870 1.00 0.00 H new ATOM 0 HA LYS A 12 6.938 8.582 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.252 10.560 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.661 9.830 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.591 8.629 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.984 7.561 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.259 8.238 5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.927 9.780 6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.601 8.760 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.478 7.153 7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.667 7.530 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.800 7.311 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.919 8.868 7.551 1.00 0.00 H new ATOM 143 N LEU A 13 3.840 8.891 2.364 1.00 0.00 N ATOM 144 CA LEU A 13 2.681 8.148 1.875 1.00 0.00 C ATOM 145 C LEU A 13 3.034 7.380 0.604 1.00 0.00 C ATOM 146 O LEU A 13 2.648 6.225 0.430 1.00 0.00 O ATOM 147 CB LEU A 13 1.521 9.099 1.575 1.00 0.00 C ATOM 148 CG LEU A 13 0.791 9.443 2.874 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.034 10.761 2.701 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.204 8.329 3.210 1.00 0.00 C ATOM 0 H LEU A 13 3.789 9.900 2.227 1.00 0.00 H new ATOM 0 HA LEU A 13 2.383 7.445 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.895 10.008 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.831 8.636 0.870 1.00 0.00 H new ATOM 0 HG LEU A 13 1.516 9.542 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.486 11.006 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.739 11.556 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.691 10.661 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.725 8.573 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.928 8.232 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.332 7.388 3.333 1.00 0.00 H new ATOM 162 N ILE A 14 3.775 8.039 -0.282 1.00 0.00 N ATOM 163 CA ILE A 14 4.178 7.416 -1.539 1.00 0.00 C ATOM 164 C ILE A 14 5.092 6.223 -1.272 1.00 0.00 C ATOM 165 O ILE A 14 4.832 5.109 -1.729 1.00 0.00 O ATOM 166 CB ILE A 14 4.919 8.425 -2.425 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.037 9.660 -2.636 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.235 7.793 -3.782 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.923 10.894 -2.812 1.00 0.00 C ATOM 0 H ILE A 14 4.106 8.995 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 14 3.277 7.077 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 14 5.850 8.714 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.406 9.524 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.372 9.795 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.761 8.515 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.863 6.914 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.307 7.499 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.297 11.773 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.535 11.033 -1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.570 10.757 -3.679 1.00 0.00 H new ATOM 181 N SER A 15 6.169 6.471 -0.533 1.00 0.00 N ATOM 182 CA SER A 15 7.126 5.413 -0.215 1.00 0.00 C ATOM 183 C SER A 15 6.443 4.276 0.541 1.00 0.00 C ATOM 184 O SER A 15 6.778 3.104 0.363 1.00 0.00 O ATOM 185 CB SER A 15 8.268 5.963 0.637 1.00 0.00 C ATOM 186 OG SER A 15 9.332 5.020 0.661 1.00 0.00 O ATOM 0 H SER A 15 6.401 7.386 -0.146 1.00 0.00 H new ATOM 0 HA SER A 15 7.525 5.031 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.617 6.912 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.919 6.160 1.650 1.00 0.00 H new ATOM 0 HG SER A 15 10.067 5.370 1.206 1.00 0.00 H new ATOM 192 N GLU A 16 5.482 4.635 1.388 1.00 0.00 N ATOM 193 CA GLU A 16 4.756 3.636 2.166 1.00 0.00 C ATOM 194 C GLU A 16 3.887 2.779 1.250 1.00 0.00 C ATOM 195 O GLU A 16 3.832 1.558 1.387 1.00 0.00 O ATOM 196 CB GLU A 16 3.865 4.313 3.211 1.00 0.00 C ATOM 197 CG GLU A 16 4.654 4.505 4.508 1.00 0.00 C ATOM 198 CD GLU A 16 3.726 5.034 5.596 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.845 4.298 6.005 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.910 6.170 6.004 1.00 0.00 O ATOM 0 H GLU A 16 5.190 5.599 1.552 1.00 0.00 H new ATOM 0 HA GLU A 16 5.487 3.004 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.517 5.277 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.980 3.705 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.096 3.559 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.476 5.202 4.346 1.00 0.00 H new ATOM 207 N GLU A 17 3.213 3.437 0.311 1.00 0.00 N ATOM 208 CA GLU A 17 2.350 2.730 -0.629 1.00 0.00 C ATOM 209 C GLU A 17 3.182 1.844 -1.549 1.00 0.00 C ATOM 210 O GLU A 17 2.764 0.748 -1.926 1.00 0.00 O ATOM 211 CB GLU A 17 1.554 3.723 -1.478 1.00 0.00 C ATOM 212 CG GLU A 17 0.489 2.973 -2.281 1.00 0.00 C ATOM 213 CD GLU A 17 0.250 3.690 -3.605 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.093 4.860 -3.569 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.414 3.060 -4.636 1.00 0.00 O ATOM 0 H GLU A 17 3.247 4.448 0.181 1.00 0.00 H new ATOM 0 HA GLU A 17 1.660 2.112 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.083 4.469 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.223 4.258 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.811 1.948 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.439 2.919 -1.712 1.00 0.00 H new ATOM 222 N ASP A 18 4.368 2.330 -1.905 1.00 0.00 N ATOM 223 CA ASP A 18 5.258 1.575 -2.782 1.00 0.00 C ATOM 224 C ASP A 18 5.737 0.308 -2.083 1.00 0.00 C ATOM 225 O ASP A 18 5.908 -0.739 -2.709 1.00 0.00 O ATOM 226 CB ASP A 18 6.472 2.421 -3.170 1.00 0.00 C ATOM 227 CG ASP A 18 6.949 2.017 -4.560 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.266 2.344 -5.518 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.990 1.387 -4.649 1.00 0.00 O ATOM 0 H ASP A 18 4.732 3.234 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 18 4.702 1.308 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.211 3.479 -3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.273 2.281 -2.444 1.00 0.00 H new ATOM 234 N LEU A 19 5.950 0.414 -0.773 1.00 0.00 N ATOM 235 CA LEU A 19 6.410 -0.728 0.011 1.00 0.00 C ATOM 236 C LEU A 19 5.383 -1.855 -0.040 1.00 0.00 C ATOM 237 O LEU A 19 5.727 -3.023 -0.222 1.00 0.00 O ATOM 238 CB LEU A 19 6.632 -0.322 1.469 1.00 0.00 C ATOM 239 CG LEU A 19 7.776 -1.145 2.062 1.00 0.00 C ATOM 240 CD1 LEU A 19 9.107 -0.447 1.779 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.581 -1.273 3.574 1.00 0.00 C ATOM 0 H LEU A 19 5.813 1.271 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 19 7.352 -1.073 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.866 0.741 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.720 -0.481 2.044 1.00 0.00 H new ATOM 0 HG LEU A 19 7.782 -2.137 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.923 -1.034 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.247 -0.354 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.101 0.545 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.396 -1.860 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.575 -0.281 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.632 -1.770 3.778 1.00 0.00 H new ATOM 253 N LEU A 20 4.114 -1.489 0.121 1.00 0.00 N ATOM 254 CA LEU A 20 3.037 -2.475 0.091 1.00 0.00 C ATOM 255 C LEU A 20 2.987 -3.165 -1.268 1.00 0.00 C ATOM 256 O LEU A 20 2.717 -4.363 -1.363 1.00 0.00 O ATOM 257 CB LEU A 20 1.689 -1.803 0.358 1.00 0.00 C ATOM 258 CG LEU A 20 1.408 -1.800 1.862 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.375 -0.720 2.187 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.863 -3.167 2.279 1.00 0.00 C ATOM 0 H LEU A 20 3.808 -0.528 0.272 1.00 0.00 H new ATOM 0 HA LEU A 20 3.234 -3.214 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.698 -0.782 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.896 -2.333 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 20 2.331 -1.594 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.175 -0.718 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.761 0.255 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.549 -0.925 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.662 -3.167 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.060 -3.372 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.598 -3.938 2.048 1.00 0.00 H new ATOM 272 N ARG A 21 3.254 -2.395 -2.319 1.00 0.00 N ATOM 273 CA ARG A 21 3.240 -2.941 -3.674 1.00 0.00 C ATOM 274 C ARG A 21 4.304 -4.023 -3.821 1.00 0.00 C ATOM 275 O ARG A 21 4.127 -4.995 -4.555 1.00 0.00 O ATOM 276 CB ARG A 21 3.506 -1.837 -4.700 1.00 0.00 C ATOM 277 CG ARG A 21 2.297 -0.901 -4.768 1.00 0.00 C ATOM 278 CD ARG A 21 2.363 -0.073 -6.053 1.00 0.00 C ATOM 279 NE ARG A 21 1.234 0.858 -6.128 1.00 0.00 N ATOM 280 CZ ARG A 21 1.001 1.609 -7.213 1.00 0.00 C ATOM 281 NH1 ARG A 21 1.780 1.543 -8.266 1.00 0.00 N ATOM 282 NH2 ARG A 21 -0.021 2.420 -7.223 1.00 0.00 N ATOM 0 H ARG A 21 3.480 -1.402 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 21 2.255 -3.372 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.399 -1.276 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.696 -2.275 -5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.374 -1.480 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.284 -0.243 -3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.301 0.482 -6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.353 -0.735 -6.919 1.00 0.00 H new ATOM 0 HE ARG A 21 0.605 0.937 -5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.581 0.911 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.585 2.123 -9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.634 2.478 -6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.207 2.996 -8.044 1.00 0.00 H new ATOM 296 N LYS A 22 5.414 -3.844 -3.108 1.00 0.00 N ATOM 297 CA LYS A 22 6.506 -4.813 -3.161 1.00 0.00 C ATOM 298 C LYS A 22 6.054 -6.150 -2.583 1.00 0.00 C ATOM 299 O LYS A 22 6.302 -7.208 -3.158 1.00 0.00 O ATOM 300 CB LYS A 22 7.712 -4.307 -2.368 1.00 0.00 C ATOM 301 CG LYS A 22 8.997 -4.868 -2.979 1.00 0.00 C ATOM 302 CD LYS A 22 10.208 -4.177 -2.349 1.00 0.00 C ATOM 303 CE LYS A 22 11.353 -4.127 -3.365 1.00 0.00 C ATOM 304 NZ LYS A 22 12.388 -3.162 -2.898 1.00 0.00 N ATOM 0 H LYS A 22 5.580 -3.047 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 22 6.791 -4.944 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.737 -3.217 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.629 -4.613 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.052 -5.944 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.997 -4.712 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.942 -3.168 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.524 -4.716 -1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.791 -5.118 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.974 -3.826 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.166 -3.127 -3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.965 -2.217 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.757 -3.468 -1.975 1.00 0.00 H new ATOM 318 N ARG A 23 5.386 -6.086 -1.434 1.00 0.00 N ATOM 319 CA ARG A 23 4.898 -7.299 -0.781 1.00 0.00 C ATOM 320 C ARG A 23 3.891 -8.012 -1.675 1.00 0.00 C ATOM 321 O ARG A 23 3.838 -9.242 -1.720 1.00 0.00 O ATOM 322 CB ARG A 23 4.228 -6.956 0.552 1.00 0.00 C ATOM 323 CG ARG A 23 4.156 -8.209 1.426 1.00 0.00 C ATOM 324 CD ARG A 23 3.202 -7.960 2.596 1.00 0.00 C ATOM 325 NE ARG A 23 3.014 -9.184 3.380 1.00 0.00 N ATOM 326 CZ ARG A 23 3.943 -9.632 4.236 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.076 -8.991 4.408 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.718 -10.725 4.912 1.00 0.00 N ATOM 0 H ARG A 23 5.172 -5.219 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 23 5.751 -7.953 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.791 -6.175 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.226 -6.564 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.811 -9.058 0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.148 -8.463 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.599 -7.171 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.240 -7.612 2.220 1.00 0.00 H new ATOM 0 HE ARG A 23 2.148 -9.712 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.262 -8.135 3.885 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.770 -9.349 5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.841 -11.231 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.419 -11.074 5.566 1.00 0.00 H new ATOM 342 N ARG A 24 3.091 -7.225 -2.388 1.00 0.00 N ATOM 343 CA ARG A 24 2.083 -7.785 -3.283 1.00 0.00 C ATOM 344 C ARG A 24 2.753 -8.573 -4.405 1.00 0.00 C ATOM 345 O ARG A 24 2.227 -9.583 -4.873 1.00 0.00 O ATOM 346 CB ARG A 24 1.232 -6.667 -3.892 1.00 0.00 C ATOM 347 CG ARG A 24 -0.203 -7.164 -4.081 1.00 0.00 C ATOM 348 CD ARG A 24 -1.180 -5.988 -3.972 1.00 0.00 C ATOM 349 NE ARG A 24 -1.421 -5.642 -2.566 1.00 0.00 N ATOM 350 CZ ARG A 24 -0.785 -4.637 -1.942 1.00 0.00 C ATOM 351 NH1 ARG A 24 0.109 -3.898 -2.555 1.00 0.00 N ATOM 352 NH2 ARG A 24 -1.061 -4.393 -0.690 1.00 0.00 N ATOM 0 H ARG A 24 3.120 -6.206 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 24 1.443 -8.451 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.243 -5.792 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.650 -6.358 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.306 -7.645 -5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.439 -7.916 -3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.777 -5.124 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.123 -6.246 -4.455 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.102 -6.189 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.338 -4.080 -3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.575 -3.142 -2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.751 -4.962 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.587 -3.633 -0.202 1.00 0.00 H new ATOM 366 N GLU A 25 3.921 -8.099 -4.828 1.00 0.00 N ATOM 367 CA GLU A 25 4.661 -8.766 -5.895 1.00 0.00 C ATOM 368 C GLU A 25 5.119 -10.147 -5.434 1.00 0.00 C ATOM 369 O GLU A 25 5.145 -11.102 -6.211 1.00 0.00 O ATOM 370 CB GLU A 25 5.885 -7.938 -6.296 1.00 0.00 C ATOM 371 CG GLU A 25 6.561 -8.565 -7.525 1.00 0.00 C ATOM 372 CD GLU A 25 7.869 -9.239 -7.113 1.00 0.00 C ATOM 373 OE1 GLU A 25 7.946 -9.706 -5.988 1.00 0.00 O ATOM 374 OE2 GLU A 25 8.775 -9.276 -7.929 1.00 0.00 O ATOM 0 H GLU A 25 4.372 -7.264 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 25 4.000 -8.870 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.585 -6.914 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.591 -7.891 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.895 -9.295 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.757 -7.798 -8.274 1.00 0.00 H new ATOM 381 N GLN A 26 5.475 -10.244 -4.157 1.00 0.00 N ATOM 382 CA GLN A 26 5.926 -11.515 -3.600 1.00 0.00 C ATOM 383 C GLN A 26 4.733 -12.421 -3.310 1.00 0.00 C ATOM 384 O GLN A 26 4.823 -13.643 -3.415 1.00 0.00 O ATOM 385 CB GLN A 26 6.707 -11.285 -2.304 1.00 0.00 C ATOM 386 CG GLN A 26 7.889 -10.354 -2.579 1.00 0.00 C ATOM 387 CD GLN A 26 9.010 -11.139 -3.252 1.00 0.00 C ATOM 388 OE1 GLN A 26 9.168 -12.336 -3.015 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.805 -10.529 -4.089 1.00 0.00 N ATOM 0 H GLN A 26 5.461 -9.468 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 26 6.576 -11.993 -4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.055 -10.849 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.064 -12.236 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.574 -9.529 -3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.246 -9.917 -1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.674 -9.537 -4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.557 -11.045 -4.546 1.00 0.00 H new ATOM 398 N LEU A 27 3.611 -11.804 -2.944 1.00 0.00 N ATOM 399 CA LEU A 27 2.401 -12.562 -2.642 1.00 0.00 C ATOM 400 C LEU A 27 1.931 -13.330 -3.875 1.00 0.00 C ATOM 401 O LEU A 27 1.763 -14.549 -3.839 1.00 0.00 O ATOM 402 CB LEU A 27 1.282 -11.625 -2.183 1.00 0.00 C ATOM 403 CG LEU A 27 1.470 -11.293 -0.701 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.717 -10.002 -0.368 1.00 0.00 C ATOM 405 CD2 LEU A 27 0.918 -12.438 0.150 1.00 0.00 C ATOM 0 H LEU A 27 3.516 -10.793 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 27 2.636 -13.265 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.293 -10.710 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.312 -12.095 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 27 2.531 -11.160 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.850 -9.765 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.108 -9.186 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.344 -10.135 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.051 -12.203 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.143 -12.570 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.452 -13.358 -0.087 1.00 0.00 H new ATOM 417 N LYS A 28 1.719 -12.600 -4.969 1.00 0.00 N ATOM 418 CA LYS A 28 1.267 -13.223 -6.211 1.00 0.00 C ATOM 419 C LYS A 28 2.284 -14.251 -6.700 1.00 0.00 C ATOM 420 O LYS A 28 1.930 -15.233 -7.352 1.00 0.00 O ATOM 421 CB LYS A 28 1.052 -12.164 -7.299 1.00 0.00 C ATOM 422 CG LYS A 28 2.353 -11.385 -7.530 1.00 0.00 C ATOM 423 CD LYS A 28 3.074 -11.943 -8.761 1.00 0.00 C ATOM 424 CE LYS A 28 4.364 -11.158 -9.000 1.00 0.00 C ATOM 425 NZ LYS A 28 4.740 -11.246 -10.439 1.00 0.00 N ATOM 0 H LYS A 28 1.851 -11.590 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 28 0.321 -13.725 -6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.734 -12.641 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.256 -11.481 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.135 -10.327 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.996 -11.463 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.301 -12.999 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.427 -11.874 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.227 -10.116 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.166 -11.557 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.618 -10.712 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.888 -12.242 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.978 -10.845 -11.022 1.00 0.00 H new ATOM 439 N HIS A 29 3.556 -14.016 -6.379 1.00 0.00 N ATOM 440 CA HIS A 29 4.617 -14.933 -6.791 1.00 0.00 C ATOM 441 C HIS A 29 4.385 -16.319 -6.194 1.00 0.00 C ATOM 442 O HIS A 29 4.510 -17.334 -6.879 1.00 0.00 O ATOM 443 CB HIS A 29 5.984 -14.412 -6.330 1.00 0.00 C ATOM 444 CG HIS A 29 6.621 -13.614 -7.437 1.00 0.00 C ATOM 445 ND1 HIS A 29 6.596 -14.030 -8.759 1.00 0.00 N ATOM 446 CD2 HIS A 29 7.305 -12.425 -7.431 1.00 0.00 C ATOM 447 CE1 HIS A 29 7.246 -13.105 -9.487 1.00 0.00 C ATOM 448 NE2 HIS A 29 7.700 -12.105 -8.727 1.00 0.00 N ATOM 0 H HIS A 29 3.874 -13.209 -5.842 1.00 0.00 H new ATOM 0 HA HIS A 29 4.602 -14.999 -7.879 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.867 -13.791 -5.442 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.628 -15.247 -6.053 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.507 -11.828 -6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.384 -13.164 -10.557 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.223 -11.284 -9.031 1.00 0.00 H new ATOM 456 N LYS A 30 4.045 -16.348 -4.909 1.00 0.00 N ATOM 457 CA LYS A 30 3.795 -17.615 -4.226 1.00 0.00 C ATOM 458 C LYS A 30 2.598 -18.327 -4.847 1.00 0.00 C ATOM 459 O LYS A 30 2.580 -19.551 -4.970 1.00 0.00 O ATOM 460 CB LYS A 30 3.518 -17.379 -2.739 1.00 0.00 C ATOM 461 CG LYS A 30 4.835 -17.412 -1.961 1.00 0.00 C ATOM 462 CD LYS A 30 4.629 -16.781 -0.583 1.00 0.00 C ATOM 463 CE LYS A 30 4.190 -17.857 0.413 1.00 0.00 C ATOM 464 NZ LYS A 30 5.394 -18.496 1.017 1.00 0.00 N ATOM 0 H LYS A 30 3.937 -15.519 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 30 4.685 -18.236 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.025 -16.417 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.840 -18.143 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.181 -18.440 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.607 -16.871 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.553 -16.313 -0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.876 -15.995 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.570 -17.415 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.581 -18.607 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.096 -19.227 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.969 -18.931 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.958 -17.776 1.512 1.00 0.00 H new ATOM 478 N LEU A 31 1.597 -17.543 -5.235 1.00 0.00 N ATOM 479 CA LEU A 31 0.394 -18.106 -5.845 1.00 0.00 C ATOM 480 C LEU A 31 0.676 -18.530 -7.283 1.00 0.00 C ATOM 481 O LEU A 31 0.233 -19.589 -7.732 1.00 0.00 O ATOM 482 CB LEU A 31 -0.740 -17.077 -5.840 1.00 0.00 C ATOM 483 CG LEU A 31 -2.080 -17.794 -5.669 1.00 0.00 C ATOM 484 CD1 LEU A 31 -3.140 -16.790 -5.210 1.00 0.00 C ATOM 485 CD2 LEU A 31 -2.505 -18.407 -7.004 1.00 0.00 C ATOM 0 H LEU A 31 1.592 -16.527 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 31 0.095 -18.977 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.593 -16.362 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.735 -16.510 -6.771 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.977 -18.582 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.096 -17.300 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.838 -16.352 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.242 -16.002 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.460 -18.918 -6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.608 -17.619 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.751 -19.122 -7.333 1.00 0.00 H new ATOM 497 N GLU A 32 1.417 -17.691 -7.999 1.00 0.00 N ATOM 498 CA GLU A 32 1.758 -17.983 -9.388 1.00 0.00 C ATOM 499 C GLU A 32 2.578 -19.268 -9.481 1.00 0.00 C ATOM 500 O GLU A 32 2.515 -19.989 -10.477 1.00 0.00 O ATOM 501 CB GLU A 32 2.567 -16.833 -9.993 1.00 0.00 C ATOM 502 CG GLU A 32 2.255 -16.718 -11.486 1.00 0.00 C ATOM 503 CD GLU A 32 2.563 -15.302 -11.963 1.00 0.00 C ATOM 504 OE1 GLU A 32 1.759 -14.423 -11.702 1.00 0.00 O ATOM 505 OE2 GLU A 32 3.599 -15.119 -12.581 1.00 0.00 O ATOM 0 H GLU A 32 1.791 -16.810 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 32 0.827 -18.106 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.324 -15.898 -9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.633 -17.008 -9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.847 -17.440 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.207 -16.955 -11.669 1.00 0.00 H new ATOM 512 N GLN A 33 3.349 -19.546 -8.432 1.00 0.00 N ATOM 513 CA GLN A 33 4.181 -20.747 -8.407 1.00 0.00 C ATOM 514 C GLN A 33 3.489 -21.862 -7.623 1.00 0.00 C ATOM 515 O GLN A 33 4.129 -22.616 -6.889 1.00 0.00 O ATOM 516 CB GLN A 33 5.535 -20.443 -7.763 1.00 0.00 C ATOM 517 CG GLN A 33 6.270 -19.390 -8.593 1.00 0.00 C ATOM 518 CD GLN A 33 7.153 -20.083 -9.625 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.349 -20.274 -9.403 1.00 0.00 O ATOM 520 NE2 GLN A 33 6.630 -20.475 -10.755 1.00 0.00 N ATOM 0 H GLN A 33 3.415 -18.964 -7.597 1.00 0.00 H new ATOM 0 HA GLN A 33 4.335 -21.074 -9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.392 -20.083 -6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.132 -21.353 -7.699 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.552 -18.738 -9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.877 -18.759 -7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.639 -20.318 -10.940 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.212 -20.939 -11.453 1.00 0.00 H new ATOM 529 N LEU A 34 2.174 -21.958 -7.790 1.00 0.00 N ATOM 530 CA LEU A 34 1.401 -22.986 -7.094 1.00 0.00 C ATOM 531 C LEU A 34 0.532 -23.758 -8.082 1.00 0.00 C ATOM 532 O LEU A 34 -0.332 -23.185 -8.745 1.00 0.00 O ATOM 533 CB LEU A 34 0.505 -22.352 -6.029 1.00 0.00 C ATOM 534 CG LEU A 34 1.254 -22.304 -4.696 1.00 0.00 C ATOM 535 CD1 LEU A 34 0.453 -21.474 -3.691 1.00 0.00 C ATOM 536 CD2 LEU A 34 1.427 -23.727 -4.158 1.00 0.00 C ATOM 0 H LEU A 34 1.625 -21.346 -8.393 1.00 0.00 H new ATOM 0 HA LEU A 34 2.102 -23.670 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.217 -21.346 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.414 -22.928 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 34 2.233 -21.849 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.986 -21.439 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.327 -20.461 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.526 -21.929 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.961 -23.694 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.447 -24.181 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.996 -24.320 -4.874 1.00 0.00 H new HETATM 548 N NH2 A 35 0.712 -25.044 -8.221 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 0.328 26.928 1.246 1.00 0.00 C HETATM 553 O ACE B 2 0.990 26.014 1.738 1.00 0.00 O HETATM 554 CH3 ACE B 2 0.977 28.258 0.874 1.00 0.00 C HETATM 0 H1 ACE B 2 0.852 28.438 -0.194 1.00 0.00 H new HETATM 0 H2 ACE B 2 0.504 29.063 1.436 1.00 0.00 H new HETATM 0 H3 ACE B 2 2.040 28.224 1.114 1.00 0.00 H new ATOM 558 N CYS B 3 -0.977 26.833 1.007 1.00 0.00 N ATOM 559 CA CYS B 3 -1.711 25.611 1.321 1.00 0.00 C ATOM 560 C CYS B 3 -2.942 25.486 0.429 1.00 0.00 C ATOM 561 O CYS B 3 -3.867 26.296 0.505 1.00 0.00 O ATOM 562 CB CYS B 3 -2.154 25.614 2.785 1.00 0.00 C ATOM 563 SG CYS B 3 -0.828 24.940 3.817 1.00 0.00 S ATOM 0 H CYS B 3 -1.543 27.578 0.601 1.00 0.00 H new ATOM 0 HA CYS B 3 -1.047 24.765 1.145 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -2.395 26.629 3.101 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -3.060 25.019 2.903 1.00 0.00 H new ATOM 568 N GLY B 4 -2.944 24.461 -0.417 1.00 0.00 N ATOM 569 CA GLY B 4 -4.067 24.234 -1.324 1.00 0.00 C ATOM 570 C GLY B 4 -4.638 22.833 -1.138 1.00 0.00 C ATOM 571 O GLY B 4 -5.266 22.532 -0.122 1.00 0.00 O ATOM 0 H GLY B 4 -2.189 23.779 -0.495 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -4.844 24.976 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -3.739 24.364 -2.355 1.00 0.00 H new ATOM 575 N GLY B 5 -4.412 21.978 -2.132 1.00 0.00 N ATOM 576 CA GLY B 5 -4.908 20.606 -2.073 1.00 0.00 C ATOM 577 C GLY B 5 -4.068 19.770 -1.113 1.00 0.00 C ATOM 578 O GLY B 5 -3.384 18.830 -1.518 1.00 0.00 O ATOM 0 H GLY B 5 -3.894 22.208 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -5.949 20.604 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -4.882 20.162 -3.068 1.00 0.00 H new ATOM 582 N MET B 6 -4.124 20.128 0.168 1.00 0.00 N ATOM 583 CA MET B 6 -3.362 19.408 1.185 1.00 0.00 C ATOM 584 C MET B 6 -4.048 18.087 1.526 1.00 0.00 C ATOM 585 O MET B 6 -3.427 17.023 1.501 1.00 0.00 O ATOM 586 CB MET B 6 -3.235 20.255 2.455 1.00 0.00 C ATOM 587 CG MET B 6 -1.825 20.111 3.036 1.00 0.00 C ATOM 588 SD MET B 6 -0.743 21.368 2.313 1.00 0.00 S ATOM 589 CE MET B 6 0.300 21.633 3.769 1.00 0.00 C ATOM 0 H MET B 6 -4.683 20.904 0.524 1.00 0.00 H new ATOM 0 HA MET B 6 -2.368 19.206 0.786 1.00 0.00 H new ATOM 0 HB2 MET B 6 -3.439 21.301 2.227 1.00 0.00 H new ATOM 0 HB3 MET B 6 -3.975 19.938 3.190 1.00 0.00 H new ATOM 0 HG2 MET B 6 -1.854 20.221 4.120 1.00 0.00 H new ATOM 0 HG3 MET B 6 -1.434 19.115 2.827 1.00 0.00 H new ATOM 0 HE1 MET B 6 0.910 22.525 3.622 1.00 0.00 H new ATOM 0 HE2 MET B 6 -0.330 21.765 4.649 1.00 0.00 H new ATOM 0 HE3 MET B 6 0.949 20.769 3.914 1.00 0.00 H new ATOM 599 N ARG B 7 -5.335 18.168 1.848 1.00 0.00 N ATOM 600 CA ARG B 7 -6.102 16.975 2.196 1.00 0.00 C ATOM 601 C ARG B 7 -6.393 16.144 0.951 1.00 0.00 C ATOM 602 O ARG B 7 -6.477 14.917 1.009 1.00 0.00 O ATOM 603 CB ARG B 7 -7.427 17.365 2.854 1.00 0.00 C ATOM 604 CG ARG B 7 -7.217 17.555 4.360 1.00 0.00 C ATOM 605 CD ARG B 7 -7.597 16.269 5.098 1.00 0.00 C ATOM 606 NE ARG B 7 -8.168 16.578 6.412 1.00 0.00 N ATOM 607 CZ ARG B 7 -8.900 15.690 7.098 1.00 0.00 C ATOM 608 NH1 ARG B 7 -9.139 14.491 6.624 1.00 0.00 N ATOM 609 NH2 ARG B 7 -9.385 16.024 8.263 1.00 0.00 N ATOM 0 H ARG B 7 -5.866 19.039 1.876 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.508 16.386 2.894 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -7.808 18.285 2.411 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -8.175 16.592 2.676 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -6.177 17.809 4.563 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -7.824 18.386 4.720 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -8.317 15.703 4.507 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -6.716 15.638 5.217 1.00 0.00 H new ATOM 0 HE ARG B 7 -8.003 17.499 6.817 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -8.765 14.218 5.715 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -9.699 13.831 7.164 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -9.205 16.953 8.643 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -9.944 15.356 8.794 1.00 0.00 H new ATOM 623 N ARG B 8 -6.549 16.828 -0.181 1.00 0.00 N ATOM 624 CA ARG B 8 -6.834 16.147 -1.441 1.00 0.00 C ATOM 625 C ARG B 8 -5.693 15.200 -1.807 1.00 0.00 C ATOM 626 O ARG B 8 -5.915 14.032 -2.128 1.00 0.00 O ATOM 627 CB ARG B 8 -7.017 17.162 -2.570 1.00 0.00 C ATOM 628 CG ARG B 8 -8.487 17.581 -2.646 1.00 0.00 C ATOM 629 CD ARG B 8 -8.826 17.992 -4.081 1.00 0.00 C ATOM 630 NE ARG B 8 -9.969 18.910 -4.099 1.00 0.00 N ATOM 631 CZ ARG B 8 -10.468 19.403 -5.243 1.00 0.00 C ATOM 632 NH1 ARG B 8 -9.952 19.083 -6.405 1.00 0.00 N ATOM 633 NH2 ARG B 8 -11.487 20.217 -5.196 1.00 0.00 N ATOM 0 H ARG B 8 -6.484 17.843 -0.251 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.754 15.577 -1.312 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.388 18.035 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -6.702 16.727 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -9.128 16.757 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.676 18.410 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -7.962 18.470 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.055 17.107 -4.674 1.00 0.00 H new ATOM 0 HE ARG B 8 -10.398 19.182 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.155 18.448 -6.452 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -10.347 19.469 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -11.895 20.472 -4.297 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -11.875 20.598 -6.059 1.00 0.00 H new ATOM 647 N LYS B 9 -4.471 15.718 -1.755 1.00 0.00 N ATOM 648 CA LYS B 9 -3.296 14.913 -2.084 1.00 0.00 C ATOM 649 C LYS B 9 -3.168 13.736 -1.123 1.00 0.00 C ATOM 650 O LYS B 9 -2.870 12.612 -1.529 1.00 0.00 O ATOM 651 CB LYS B 9 -2.026 15.762 -2.002 1.00 0.00 C ATOM 652 CG LYS B 9 -1.834 16.522 -3.318 1.00 0.00 C ATOM 653 CD LYS B 9 -0.576 17.387 -3.231 1.00 0.00 C ATOM 654 CE LYS B 9 -0.414 18.188 -4.525 1.00 0.00 C ATOM 655 NZ LYS B 9 0.199 17.323 -5.571 1.00 0.00 N ATOM 0 H LYS B 9 -4.267 16.682 -1.491 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.419 14.540 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.098 16.464 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.162 15.126 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.748 15.819 -4.147 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.704 17.147 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.646 18.063 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.299 16.758 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.384 18.554 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.212 19.062 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.309 17.867 -6.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.131 16.995 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.415 16.502 -5.746 1.00 0.00 H new ATOM 669 N ASN B 10 -3.398 14.006 0.159 1.00 0.00 N ATOM 670 CA ASN B 10 -3.306 12.962 1.176 1.00 0.00 C ATOM 671 C ASN B 10 -4.479 11.991 1.059 1.00 0.00 C ATOM 672 O ASN B 10 -4.358 10.810 1.382 1.00 0.00 O ATOM 673 CB ASN B 10 -3.307 13.578 2.577 1.00 0.00 C ATOM 674 CG ASN B 10 -1.901 14.055 2.923 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.041 13.255 3.296 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.611 15.323 2.820 1.00 0.00 N ATOM 0 H ASN B 10 -3.647 14.928 0.516 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.373 12.422 1.016 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.006 14.413 2.618 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.644 12.844 3.309 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.673 15.652 3.048 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.323 15.985 2.511 1.00 0.00 H new ATOM 683 N ASP B 11 -5.618 12.504 0.596 1.00 0.00 N ATOM 684 CA ASP B 11 -6.810 11.673 0.443 1.00 0.00 C ATOM 685 C ASP B 11 -6.546 10.529 -0.532 1.00 0.00 C ATOM 686 O ASP B 11 -6.749 9.359 -0.209 1.00 0.00 O ATOM 687 CB ASP B 11 -7.981 12.508 -0.077 1.00 0.00 C ATOM 688 CG ASP B 11 -9.272 11.702 0.036 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.517 10.889 -0.840 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.993 11.911 0.996 1.00 0.00 O ATOM 0 H ASP B 11 -5.740 13.479 0.323 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.060 11.264 1.422 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -8.065 13.432 0.496 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.807 12.791 -1.115 1.00 0.00 H new ATOM 695 N THR B 12 -6.093 10.882 -1.733 1.00 0.00 N ATOM 696 CA THR B 12 -5.803 9.876 -2.753 1.00 0.00 C ATOM 697 C THR B 12 -4.721 8.916 -2.269 1.00 0.00 C ATOM 698 O THR B 12 -4.717 7.734 -2.614 1.00 0.00 O ATOM 699 CB THR B 12 -5.337 10.547 -4.050 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.987 9.546 -4.997 1.00 0.00 O ATOM 701 CG2 THR B 12 -4.120 11.432 -3.770 1.00 0.00 C ATOM 0 H THR B 12 -5.920 11.845 -2.022 1.00 0.00 H new ATOM 0 HA THR B 12 -6.720 9.317 -2.943 1.00 0.00 H new ATOM 0 HB THR B 12 -6.143 11.163 -4.447 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.690 9.972 -5.828 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.794 11.906 -4.696 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.388 12.200 -3.044 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.310 10.821 -3.370 1.00 0.00 H new ATOM 709 N HIS B 13 -3.801 9.440 -1.465 1.00 0.00 N ATOM 710 CA HIS B 13 -2.711 8.624 -0.934 1.00 0.00 C ATOM 711 C HIS B 13 -3.256 7.540 -0.012 1.00 0.00 C ATOM 712 O HIS B 13 -2.963 6.356 -0.177 1.00 0.00 O ATOM 713 CB HIS B 13 -1.723 9.492 -0.154 1.00 0.00 C ATOM 714 CG HIS B 13 -0.742 10.116 -1.107 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.005 9.362 -1.999 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.371 11.420 -1.319 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.779 10.210 -2.700 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.588 11.479 -2.325 1.00 0.00 N ATOM 0 H HIS B 13 -3.786 10.416 -1.168 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.199 8.159 -1.776 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.258 10.268 0.394 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.195 8.888 0.584 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.027 8.348 -2.105 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.764 12.272 -0.785 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.470 9.903 -3.471 1.00 0.00 H new ATOM 726 N GLN B 14 -4.053 7.961 0.962 1.00 0.00 N ATOM 727 CA GLN B 14 -4.642 7.023 1.915 1.00 0.00 C ATOM 728 C GLN B 14 -5.552 6.032 1.199 1.00 0.00 C ATOM 729 O GLN B 14 -5.648 4.866 1.583 1.00 0.00 O ATOM 730 CB GLN B 14 -5.458 7.773 2.972 1.00 0.00 C ATOM 731 CG GLN B 14 -5.478 6.965 4.268 1.00 0.00 C ATOM 732 CD GLN B 14 -5.677 7.906 5.452 1.00 0.00 C ATOM 733 OE1 GLN B 14 -4.862 8.797 5.689 1.00 0.00 O ATOM 734 NE2 GLN B 14 -6.723 7.760 6.218 1.00 0.00 N ATOM 0 H GLN B 14 -4.306 8.937 1.114 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.828 6.484 2.399 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.024 8.757 3.151 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.475 7.933 2.615 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.280 6.228 4.237 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.544 6.415 4.380 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -7.399 7.022 6.023 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -6.865 8.384 7.012 1.00 0.00 H new ATOM 743 N GLN B 15 -6.220 6.509 0.151 1.00 0.00 N ATOM 744 CA GLN B 15 -7.125 5.659 -0.618 1.00 0.00 C ATOM 745 C GLN B 15 -6.369 4.481 -1.225 1.00 0.00 C ATOM 746 O GLN B 15 -6.734 3.322 -1.026 1.00 0.00 O ATOM 747 CB GLN B 15 -7.784 6.462 -1.742 1.00 0.00 C ATOM 748 CG GLN B 15 -9.142 5.847 -2.085 1.00 0.00 C ATOM 749 CD GLN B 15 -10.007 6.886 -2.789 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.199 7.991 -2.280 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.544 6.598 -3.943 1.00 0.00 N ATOM 0 H GLN B 15 -6.153 7.471 -0.183 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.892 5.284 0.060 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.911 7.500 -1.435 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.143 6.467 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.007 4.976 -2.726 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.636 5.501 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.385 5.683 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.122 7.288 -4.423 1.00 0.00 H new ATOM 760 N ASP B 16 -5.307 4.790 -1.966 1.00 0.00 N ATOM 761 CA ASP B 16 -4.500 3.748 -2.597 1.00 0.00 C ATOM 762 C ASP B 16 -3.886 2.841 -1.536 1.00 0.00 C ATOM 763 O ASP B 16 -3.826 1.622 -1.699 1.00 0.00 O ATOM 764 CB ASP B 16 -3.380 4.370 -3.433 1.00 0.00 C ATOM 765 CG ASP B 16 -3.015 3.429 -4.575 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.242 2.514 -4.340 1.00 0.00 O ATOM 767 OD2 ASP B 16 -3.514 3.637 -5.670 1.00 0.00 O ATOM 0 H ASP B 16 -4.988 5.742 -2.143 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.151 3.162 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.700 5.333 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.506 4.557 -2.808 1.00 0.00 H new ATOM 772 N ILE B 17 -3.438 3.453 -0.445 1.00 0.00 N ATOM 773 CA ILE B 17 -2.832 2.700 0.650 1.00 0.00 C ATOM 774 C ILE B 17 -3.852 1.730 1.245 1.00 0.00 C ATOM 775 O ILE B 17 -3.760 0.516 1.067 1.00 0.00 O ATOM 776 CB ILE B 17 -2.325 3.678 1.743 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.952 4.214 1.332 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.202 2.984 3.116 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.721 5.577 1.987 1.00 0.00 C ATOM 0 H ILE B 17 -3.482 4.461 -0.295 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.987 2.129 0.265 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.048 4.489 1.836 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.172 3.516 1.635 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.895 4.305 0.247 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.844 3.701 3.855 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.177 2.605 3.421 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.497 2.156 3.043 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.257 5.960 1.695 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.495 6.273 1.662 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.760 5.471 3.071 1.00 0.00 H new ATOM 791 N ASP B 18 -4.806 2.293 1.984 1.00 0.00 N ATOM 792 CA ASP B 18 -5.836 1.502 2.654 1.00 0.00 C ATOM 793 C ASP B 18 -6.419 0.424 1.730 1.00 0.00 C ATOM 794 O ASP B 18 -6.838 -0.641 2.184 1.00 0.00 O ATOM 795 CB ASP B 18 -6.968 2.415 3.139 1.00 0.00 C ATOM 796 CG ASP B 18 -6.739 2.786 4.601 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.643 3.217 4.917 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.663 2.631 5.383 1.00 0.00 O ATOM 0 H ASP B 18 -4.887 3.299 2.134 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.365 1.006 3.503 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.009 3.316 2.527 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.928 1.911 3.028 1.00 0.00 H new ATOM 803 N ASP B 19 -6.433 0.714 0.433 1.00 0.00 N ATOM 804 CA ASP B 19 -6.958 -0.238 -0.542 1.00 0.00 C ATOM 805 C ASP B 19 -5.969 -1.379 -0.747 1.00 0.00 C ATOM 806 O ASP B 19 -6.353 -2.544 -0.854 1.00 0.00 O ATOM 807 CB ASP B 19 -7.211 0.452 -1.884 1.00 0.00 C ATOM 808 CG ASP B 19 -8.116 -0.423 -2.746 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.594 -1.294 -3.422 1.00 0.00 O ATOM 810 OD2 ASP B 19 -9.317 -0.209 -2.715 1.00 0.00 O ATOM 0 H ASP B 19 -6.092 1.589 0.035 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.899 -0.633 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.675 1.425 -1.722 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.266 0.631 -2.396 1.00 0.00 H new ATOM 815 N LEU B 20 -4.687 -1.030 -0.793 1.00 0.00 N ATOM 816 CA LEU B 20 -3.640 -2.030 -0.978 1.00 0.00 C ATOM 817 C LEU B 20 -3.589 -2.966 0.225 1.00 0.00 C ATOM 818 O LEU B 20 -3.522 -4.186 0.080 1.00 0.00 O ATOM 819 CB LEU B 20 -2.278 -1.355 -1.142 1.00 0.00 C ATOM 820 CG LEU B 20 -2.199 -0.684 -2.513 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.121 0.401 -2.490 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.844 -1.732 -3.571 1.00 0.00 C ATOM 0 H LEU B 20 -4.350 -0.071 -0.706 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.870 -2.601 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.131 -0.615 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.481 -2.092 -1.040 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.162 -0.233 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.065 0.879 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.371 1.147 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.157 -0.049 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.787 -1.256 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.881 -2.181 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.611 -2.506 -3.588 1.00 0.00 H new ATOM 834 N LYS B 21 -3.622 -2.376 1.419 1.00 0.00 N ATOM 835 CA LYS B 21 -3.579 -3.159 2.653 1.00 0.00 C ATOM 836 C LYS B 21 -4.737 -4.153 2.703 1.00 0.00 C ATOM 837 O LYS B 21 -4.595 -5.272 3.196 1.00 0.00 O ATOM 838 CB LYS B 21 -3.661 -2.238 3.871 1.00 0.00 C ATOM 839 CG LYS B 21 -3.271 -3.018 5.129 1.00 0.00 C ATOM 840 CD LYS B 21 -1.764 -3.281 5.120 1.00 0.00 C ATOM 841 CE LYS B 21 -1.247 -3.340 6.559 1.00 0.00 C ATOM 842 NZ LYS B 21 -1.613 -4.653 7.163 1.00 0.00 N ATOM 0 H LYS B 21 -3.678 -1.367 1.558 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.636 -3.705 2.670 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.997 -1.384 3.740 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.672 -1.843 3.974 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.547 -2.454 6.020 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.815 -3.962 5.168 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.551 -4.219 4.607 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.250 -2.493 4.570 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.165 -3.209 6.574 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.675 -2.526 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -1.262 -4.695 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -2.648 -4.760 7.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.185 -5.422 6.609 1.00 0.00 H new ATOM 856 N ARG B 22 -5.886 -3.730 2.182 1.00 0.00 N ATOM 857 CA ARG B 22 -7.065 -4.590 2.167 1.00 0.00 C ATOM 858 C ARG B 22 -6.842 -5.772 1.228 1.00 0.00 C ATOM 859 O ARG B 22 -7.320 -6.879 1.473 1.00 0.00 O ATOM 860 CB ARG B 22 -8.295 -3.808 1.701 1.00 0.00 C ATOM 861 CG ARG B 22 -9.565 -4.551 2.125 1.00 0.00 C ATOM 862 CD ARG B 22 -10.048 -4.031 3.483 1.00 0.00 C ATOM 863 NE ARG B 22 -8.955 -4.026 4.464 1.00 0.00 N ATOM 864 CZ ARG B 22 -8.267 -2.916 4.783 1.00 0.00 C ATOM 865 NH1 ARG B 22 -8.505 -1.765 4.201 1.00 0.00 N ATOM 866 NH2 ARG B 22 -7.330 -2.988 5.687 1.00 0.00 N ATOM 0 H ARG B 22 -6.025 -2.808 1.769 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.232 -4.953 3.181 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.286 -2.806 2.131 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.275 -3.690 0.618 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.344 -4.413 1.375 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.367 -5.621 2.186 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.444 -3.022 3.370 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.864 -4.655 3.846 1.00 0.00 H new ATOM 0 HE ARG B 22 -8.707 -4.903 4.923 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -9.229 -1.695 3.485 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -7.967 -0.940 4.464 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -7.127 -3.878 6.142 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -6.800 -2.154 5.939 1.00 0.00 H new ATOM 880 N GLN B 23 -6.107 -5.520 0.148 1.00 0.00 N ATOM 881 CA GLN B 23 -5.820 -6.568 -0.829 1.00 0.00 C ATOM 882 C GLN B 23 -4.849 -7.592 -0.247 1.00 0.00 C ATOM 883 O GLN B 23 -5.141 -8.787 -0.198 1.00 0.00 O ATOM 884 CB GLN B 23 -5.208 -5.967 -2.095 1.00 0.00 C ATOM 885 CG GLN B 23 -6.326 -5.535 -3.048 1.00 0.00 C ATOM 886 CD GLN B 23 -6.731 -6.715 -3.924 1.00 0.00 C ATOM 887 OE1 GLN B 23 -7.869 -7.179 -3.862 1.00 0.00 O ATOM 888 NE2 GLN B 23 -5.860 -7.230 -4.747 1.00 0.00 N ATOM 0 H GLN B 23 -5.703 -4.610 -0.072 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.760 -7.060 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.583 -5.111 -1.839 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.563 -6.698 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.185 -5.178 -2.480 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.988 -4.706 -3.670 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -4.917 -6.845 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -6.122 -8.018 -5.340 1.00 0.00 H new ATOM 897 N ASN B 24 -3.689 -7.109 0.195 1.00 0.00 N ATOM 898 CA ASN B 24 -2.678 -7.990 0.773 1.00 0.00 C ATOM 899 C ASN B 24 -3.222 -8.682 2.020 1.00 0.00 C ATOM 900 O ASN B 24 -2.860 -9.817 2.325 1.00 0.00 O ATOM 901 CB ASN B 24 -1.424 -7.197 1.152 1.00 0.00 C ATOM 902 CG ASN B 24 -0.479 -7.107 -0.045 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.720 -7.713 -1.091 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.601 -6.378 0.049 1.00 0.00 N ATOM 0 H ASN B 24 -3.428 -6.123 0.164 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.420 -8.738 0.024 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.703 -6.196 1.481 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.919 -7.679 1.989 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.242 -6.312 -0.742 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.803 -5.875 0.913 1.00 0.00 H new ATOM 911 N ALA B 25 -4.095 -7.980 2.738 1.00 0.00 N ATOM 912 CA ALA B 25 -4.686 -8.533 3.954 1.00 0.00 C ATOM 913 C ALA B 25 -5.486 -9.792 3.636 1.00 0.00 C ATOM 914 O ALA B 25 -5.266 -10.850 4.224 1.00 0.00 O ATOM 915 CB ALA B 25 -5.613 -7.509 4.613 1.00 0.00 C ATOM 0 H ALA B 25 -4.406 -7.038 2.503 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.874 -8.782 4.637 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -6.045 -7.938 5.517 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.044 -6.616 4.871 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.412 -7.243 3.921 1.00 0.00 H new ATOM 921 N LEU B 26 -6.418 -9.665 2.695 1.00 0.00 N ATOM 922 CA LEU B 26 -7.248 -10.799 2.301 1.00 0.00 C ATOM 923 C LEU B 26 -6.419 -11.829 1.542 1.00 0.00 C ATOM 924 O LEU B 26 -6.664 -13.033 1.630 1.00 0.00 O ATOM 925 CB LEU B 26 -8.403 -10.333 1.412 1.00 0.00 C ATOM 926 CG LEU B 26 -9.612 -9.990 2.283 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.370 -8.656 2.991 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.860 -9.879 1.404 1.00 0.00 C ATOM 0 H LEU B 26 -6.616 -8.798 2.196 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.649 -11.254 3.207 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.100 -9.461 0.832 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.665 -11.115 0.699 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.757 -10.775 3.025 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.232 -8.412 3.612 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.482 -8.733 3.618 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.224 -7.871 2.249 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.722 -9.635 2.025 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.713 -9.095 0.662 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -11.035 -10.829 0.899 1.00 0.00 H new ATOM 940 N LEU B 27 -5.432 -11.342 0.795 1.00 0.00 N ATOM 941 CA LEU B 27 -4.567 -12.229 0.022 1.00 0.00 C ATOM 942 C LEU B 27 -3.713 -13.084 0.954 1.00 0.00 C ATOM 943 O LEU B 27 -3.612 -14.299 0.788 1.00 0.00 O ATOM 944 CB LEU B 27 -3.647 -11.417 -0.893 1.00 0.00 C ATOM 945 CG LEU B 27 -4.445 -10.905 -2.093 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.678 -9.767 -2.769 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.649 -12.045 -3.093 1.00 0.00 C ATOM 0 H LEU B 27 -5.212 -10.350 0.708 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.202 -12.875 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.218 -10.579 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.816 -12.035 -1.232 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.414 -10.539 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.247 -9.402 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.531 -8.954 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.708 -10.132 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.218 -11.681 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.679 -12.411 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.196 -12.857 -2.613 1.00 0.00 H new ATOM 959 N GLU B 28 -3.099 -12.431 1.938 1.00 0.00 N ATOM 960 CA GLU B 28 -2.254 -13.137 2.896 1.00 0.00 C ATOM 961 C GLU B 28 -3.096 -14.069 3.762 1.00 0.00 C ATOM 962 O GLU B 28 -2.743 -15.228 3.983 1.00 0.00 O ATOM 963 CB GLU B 28 -1.521 -12.140 3.800 1.00 0.00 C ATOM 964 CG GLU B 28 -0.514 -12.884 4.681 1.00 0.00 C ATOM 965 CD GLU B 28 0.859 -12.863 4.018 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.355 -11.778 3.766 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.393 -13.931 3.773 1.00 0.00 O ATOM 0 H GLU B 28 -3.170 -11.425 2.092 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.525 -13.722 2.336 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.007 -11.395 3.193 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.238 -11.605 4.423 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.461 -12.417 5.665 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.840 -13.913 4.834 1.00 0.00 H new ATOM 974 N GLN B 29 -4.216 -13.547 4.252 1.00 0.00 N ATOM 975 CA GLN B 29 -5.108 -14.338 5.098 1.00 0.00 C ATOM 976 C GLN B 29 -5.611 -15.581 4.360 1.00 0.00 C ATOM 977 O GLN B 29 -6.023 -16.558 4.983 1.00 0.00 O ATOM 978 CB GLN B 29 -6.312 -13.499 5.533 1.00 0.00 C ATOM 979 CG GLN B 29 -7.001 -14.173 6.720 1.00 0.00 C ATOM 980 CD GLN B 29 -8.181 -13.321 7.176 1.00 0.00 C ATOM 981 OE1 GLN B 29 -9.206 -13.257 6.498 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.095 -12.656 8.296 1.00 0.00 N ATOM 0 H GLN B 29 -4.527 -12.591 4.081 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.539 -14.650 5.973 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.989 -12.495 5.809 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.013 -13.392 4.705 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -7.345 -15.168 6.437 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.294 -14.301 7.539 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.245 -12.710 8.857 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.878 -12.083 8.610 1.00 0.00 H new ATOM 991 N GLN B 30 -5.580 -15.535 3.028 1.00 0.00 N ATOM 992 CA GLN B 30 -6.045 -16.667 2.228 1.00 0.00 C ATOM 993 C GLN B 30 -4.871 -17.514 1.745 1.00 0.00 C ATOM 994 O GLN B 30 -4.900 -18.742 1.826 1.00 0.00 O ATOM 995 CB GLN B 30 -6.833 -16.176 1.014 1.00 0.00 C ATOM 996 CG GLN B 30 -7.818 -17.260 0.571 1.00 0.00 C ATOM 997 CD GLN B 30 -8.956 -16.622 -0.219 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.722 -15.793 -1.097 1.00 0.00 O ATOM 999 NE2 GLN B 30 -10.188 -16.965 0.044 1.00 0.00 N ATOM 0 H GLN B 30 -5.243 -14.739 2.487 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.689 -17.276 2.863 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -7.371 -15.261 1.262 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.151 -15.934 0.199 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.307 -18.002 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -8.214 -17.784 1.441 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -10.382 -17.653 0.772 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.957 -16.545 -0.479 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.838 -16.847 1.228 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.666 -17.536 0.717 1.00 0.00 C ATOM 1010 C VAL B 31 -2.061 -18.475 1.774 1.00 0.00 C ATOM 1011 O VAL B 31 -1.522 -19.533 1.449 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.635 -16.492 0.242 1.00 0.00 C ATOM 1013 CG1 VAL B 31 -0.819 -15.917 1.410 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.699 -17.148 -0.757 1.00 0.00 C ATOM 0 H VAL B 31 -3.795 -15.831 1.155 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.960 -18.160 -0.127 1.00 0.00 H new ATOM 0 HB VAL B 31 -2.174 -15.665 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -0.105 -15.186 1.030 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -1.490 -15.434 2.120 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -0.282 -16.723 1.910 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.035 -16.419 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.186 -17.983 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.273 -17.513 -1.608 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.160 -18.068 3.037 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.621 -18.873 4.131 1.00 0.00 C ATOM 1026 C ARG B 32 -2.311 -20.234 4.186 1.00 0.00 C ATOM 1027 O ARG B 32 -1.708 -21.235 4.575 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.817 -18.159 5.472 1.00 0.00 C ATOM 1029 CG ARG B 32 -3.298 -17.821 5.667 1.00 0.00 C ATOM 1030 CD ARG B 32 -3.520 -17.301 7.088 1.00 0.00 C ATOM 1031 NE ARG B 32 -4.941 -17.364 7.442 1.00 0.00 N ATOM 1032 CZ ARG B 32 -5.417 -16.832 8.576 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -4.625 -16.227 9.430 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -6.693 -16.919 8.838 1.00 0.00 N ATOM 0 H ARG B 32 -2.603 -17.196 3.327 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.556 -19.014 3.948 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.469 -18.794 6.287 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -1.220 -17.248 5.500 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -3.609 -17.070 4.941 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -3.910 -18.706 5.492 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.937 -17.893 7.793 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -3.165 -16.273 7.165 1.00 0.00 H new ATOM 0 HE ARG B 32 -5.588 -17.828 6.805 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -3.626 -16.155 9.236 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -5.008 -15.829 10.287 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -7.317 -17.389 8.182 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -7.065 -16.517 9.698 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.582 -20.260 3.792 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.346 -21.505 3.801 1.00 0.00 C ATOM 1050 C ALA B 33 -3.852 -22.439 2.702 1.00 0.00 C ATOM 1051 O ALA B 33 -3.808 -23.657 2.874 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.832 -21.222 3.583 1.00 0.00 C ATOM 0 H ALA B 33 -4.100 -19.444 3.466 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.206 -21.979 4.772 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.386 -22.160 3.593 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.200 -20.575 4.379 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.971 -20.728 2.621 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.478 -21.853 1.568 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.985 -22.640 0.441 1.00 0.00 C ATOM 1060 C LEU B 34 -1.490 -22.905 0.591 1.00 0.00 C ATOM 1061 O LEU B 34 -0.736 -22.036 1.029 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.233 -21.901 -0.877 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.597 -22.305 -1.440 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -5.692 -21.469 -0.775 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.616 -22.060 -2.950 1.00 0.00 C ATOM 0 H LEU B 34 -3.506 -20.846 1.405 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.522 -23.588 0.431 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.200 -20.824 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.447 -22.140 -1.593 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.775 -23.362 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.664 -21.757 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.678 -21.641 0.301 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -5.515 -20.412 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.587 -22.347 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.439 -21.003 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.836 -22.655 -3.425 1.00 0.00 H new HETATM 1077 N NH2 B 35 -1.011 -24.069 0.247 1.00 0.00 N TER 1080 NH2 B 35