USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=8 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 7 GLN : amide:sc= 0 X(o=-3.6,f=-4) USER MOD Set 1.2: A 11 GLN : amide:sc= -3.56 K(o=-3.6,f=-7.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -42:sc= 0.144 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.268) USER MOD Single : A 26 GLN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.181) USER MOD Single : A 29 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-1.8) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.0849 (180deg=-0.541) USER MOD Single : A 33 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.4) USER MOD Single : B 6 MET CE :methyl -160:sc= -0.0304 (180deg=-0.639) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.376 K(o=-0.38,f=-4.6!) USER MOD Single : B 12 THR OG1 : rot -18:sc= 0.671 USER MOD Single : B 13 HIS : no HE2:sc= -2.01 K(o=-2,f=-4.1!) USER MOD Single : B 14 GLN : amide:sc= -0.715 K(o=-0.72,f=-1.5!) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 135:sc= -0.0464 (180deg=-1.6!) USER MOD Single : B 23 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.6) USER MOD Single : B 24 ASN : amide:sc= -3.52 K(o=-3.5,f=-16!) USER MOD Single : B 29 GLN : amide:sc= -0.0778 X(o=-0.078,f=0) USER MOD Single : B 30 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.3!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 6.822 26.667 -0.265 1.00 0.00 C HETATM 2 O ACE A 2 7.032 27.137 0.854 1.00 0.00 O HETATM 3 CH3 ACE A 2 7.215 27.430 -1.526 1.00 0.00 C HETATM 0 H1 ACE A 2 7.927 26.839 -2.102 1.00 0.00 H new HETATM 0 H2 ACE A 2 6.327 27.618 -2.129 1.00 0.00 H new HETATM 0 H3 ACE A 2 7.673 28.380 -1.249 1.00 0.00 H new ATOM 7 N CYS A 3 6.247 25.483 -0.458 1.00 0.00 N ATOM 8 CA CYS A 3 5.827 24.658 0.671 1.00 0.00 C ATOM 9 C CYS A 3 7.042 24.083 1.393 1.00 0.00 C ATOM 10 O CYS A 3 8.132 23.995 0.829 1.00 0.00 O ATOM 11 CB CYS A 3 4.941 23.507 0.192 1.00 0.00 C ATOM 12 SG CYS A 3 3.236 24.089 0.021 1.00 0.00 S ATOM 0 H CYS A 3 6.063 25.077 -1.375 1.00 0.00 H new ATOM 0 HA CYS A 3 5.262 25.289 1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.304 23.127 -0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.985 22.681 0.901 1.00 0.00 H new ATOM 17 N GLY A 4 6.839 23.693 2.648 1.00 0.00 N ATOM 18 CA GLY A 4 7.924 23.124 3.443 1.00 0.00 C ATOM 19 C GLY A 4 7.375 22.407 4.671 1.00 0.00 C ATOM 20 O GLY A 4 7.414 22.933 5.784 1.00 0.00 O ATOM 0 H GLY A 4 5.944 23.759 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.499 22.426 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.607 23.915 3.753 1.00 0.00 H new ATOM 24 N GLY A 5 6.863 21.199 4.456 1.00 0.00 N ATOM 25 CA GLY A 5 6.306 20.412 5.554 1.00 0.00 C ATOM 26 C GLY A 5 5.379 19.324 5.021 1.00 0.00 C ATOM 27 O GLY A 5 5.577 18.138 5.280 1.00 0.00 O ATOM 0 H GLY A 5 6.822 20.747 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.113 19.959 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.757 21.064 6.233 1.00 0.00 H new ATOM 31 N VAL A 6 4.364 19.745 4.271 1.00 0.00 N ATOM 32 CA VAL A 6 3.407 18.800 3.702 1.00 0.00 C ATOM 33 C VAL A 6 4.116 17.840 2.744 1.00 0.00 C ATOM 34 O VAL A 6 3.731 16.678 2.608 1.00 0.00 O ATOM 35 CB VAL A 6 2.288 19.554 2.963 1.00 0.00 C ATOM 36 CG1 VAL A 6 2.878 20.363 1.803 1.00 0.00 C ATOM 37 CG2 VAL A 6 1.258 18.557 2.418 1.00 0.00 C ATOM 0 H VAL A 6 4.184 20.723 4.045 1.00 0.00 H new ATOM 0 HA VAL A 6 2.964 18.223 4.514 1.00 0.00 H new ATOM 0 HB VAL A 6 1.800 20.232 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.079 20.893 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.599 21.082 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.377 19.689 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.469 19.098 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.746 17.871 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.826 17.992 3.244 1.00 0.00 H new ATOM 47 N GLN A 7 5.155 18.343 2.082 1.00 0.00 N ATOM 48 CA GLN A 7 5.912 17.526 1.138 1.00 0.00 C ATOM 49 C GLN A 7 6.551 16.338 1.851 1.00 0.00 C ATOM 50 O GLN A 7 6.537 15.214 1.352 1.00 0.00 O ATOM 51 CB GLN A 7 7.012 18.356 0.472 1.00 0.00 C ATOM 52 CG GLN A 7 6.405 19.198 -0.653 1.00 0.00 C ATOM 53 CD GLN A 7 7.510 19.651 -1.602 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.119 18.833 -2.292 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.807 20.919 -1.679 1.00 0.00 N ATOM 0 H GLN A 7 5.489 19.302 2.180 1.00 0.00 H new ATOM 0 HA GLN A 7 5.219 17.164 0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.490 19.003 1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.786 17.700 0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.660 18.616 -1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.891 20.064 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.302 21.597 -1.107 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.544 21.233 -2.311 1.00 0.00 H new ATOM 64 N ALA A 8 7.110 16.601 3.030 1.00 0.00 N ATOM 65 CA ALA A 8 7.752 15.547 3.810 1.00 0.00 C ATOM 66 C ALA A 8 6.741 14.467 4.182 1.00 0.00 C ATOM 67 O ALA A 8 7.016 13.273 4.073 1.00 0.00 O ATOM 68 CB ALA A 8 8.360 16.121 5.091 1.00 0.00 C ATOM 0 H ALA A 8 7.132 17.525 3.462 1.00 0.00 H new ATOM 0 HA ALA A 8 8.541 15.111 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.834 15.321 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.105 16.874 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.575 16.578 5.693 1.00 0.00 H new ATOM 74 N GLU A 9 5.564 14.904 4.622 1.00 0.00 N ATOM 75 CA GLU A 9 4.511 13.969 5.009 1.00 0.00 C ATOM 76 C GLU A 9 3.921 13.293 3.775 1.00 0.00 C ATOM 77 O GLU A 9 3.509 12.134 3.820 1.00 0.00 O ATOM 78 CB GLU A 9 3.397 14.697 5.761 1.00 0.00 C ATOM 79 CG GLU A 9 3.749 14.773 7.249 1.00 0.00 C ATOM 80 CD GLU A 9 4.648 15.980 7.498 1.00 0.00 C ATOM 81 OE1 GLU A 9 4.148 17.091 7.426 1.00 0.00 O ATOM 82 OE2 GLU A 9 5.822 15.775 7.755 1.00 0.00 O ATOM 0 H GLU A 9 5.317 15.889 4.719 1.00 0.00 H new ATOM 0 HA GLU A 9 4.953 13.215 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.266 15.700 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.451 14.173 5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.840 14.854 7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.254 13.859 7.561 1.00 0.00 H new ATOM 89 N GLU A 10 3.885 14.034 2.671 1.00 0.00 N ATOM 90 CA GLU A 10 3.343 13.501 1.425 1.00 0.00 C ATOM 91 C GLU A 10 4.290 12.462 0.833 1.00 0.00 C ATOM 92 O GLU A 10 3.861 11.426 0.327 1.00 0.00 O ATOM 93 CB GLU A 10 3.134 14.623 0.406 1.00 0.00 C ATOM 94 CG GLU A 10 2.348 14.088 -0.791 1.00 0.00 C ATOM 95 CD GLU A 10 1.630 15.239 -1.485 1.00 0.00 C ATOM 96 OE1 GLU A 10 0.644 15.710 -0.943 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.077 15.634 -2.550 1.00 0.00 O ATOM 0 H GLU A 10 4.221 14.995 2.613 1.00 0.00 H new ATOM 0 HA GLU A 10 2.384 13.033 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.595 15.451 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.097 15.013 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.022 13.592 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.626 13.341 -0.461 1.00 0.00 H new ATOM 104 N GLN A 11 5.586 12.754 0.903 1.00 0.00 N ATOM 105 CA GLN A 11 6.592 11.837 0.370 1.00 0.00 C ATOM 106 C GLN A 11 6.539 10.502 1.108 1.00 0.00 C ATOM 107 O GLN A 11 6.813 9.448 0.532 1.00 0.00 O ATOM 108 CB GLN A 11 7.996 12.440 0.518 1.00 0.00 C ATOM 109 CG GLN A 11 8.407 13.117 -0.791 1.00 0.00 C ATOM 110 CD GLN A 11 7.499 14.315 -1.055 1.00 0.00 C ATOM 111 OE1 GLN A 11 6.282 14.166 -1.168 1.00 0.00 O ATOM 112 NE2 GLN A 11 8.024 15.505 -1.161 1.00 0.00 N ATOM 0 H GLN A 11 5.962 13.607 1.318 1.00 0.00 H new ATOM 0 HA GLN A 11 6.378 11.674 -0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.007 13.164 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.712 11.660 0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.446 13.441 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.339 12.408 -1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.032 15.628 -1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.426 16.312 -1.338 1.00 0.00 H new ATOM 121 N LYS A 12 6.182 10.558 2.387 1.00 0.00 N ATOM 122 CA LYS A 12 6.096 9.346 3.197 1.00 0.00 C ATOM 123 C LYS A 12 4.882 8.517 2.791 1.00 0.00 C ATOM 124 O LYS A 12 4.901 7.288 2.855 1.00 0.00 O ATOM 125 CB LYS A 12 5.983 9.700 4.682 1.00 0.00 C ATOM 126 CG LYS A 12 6.485 8.527 5.526 1.00 0.00 C ATOM 127 CD LYS A 12 8.009 8.600 5.648 1.00 0.00 C ATOM 128 CE LYS A 12 8.466 7.772 6.851 1.00 0.00 C ATOM 129 NZ LYS A 12 9.768 8.298 7.349 1.00 0.00 N ATOM 0 H LYS A 12 5.950 11.419 2.882 1.00 0.00 H new ATOM 0 HA LYS A 12 7.004 8.766 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.567 10.594 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.947 9.927 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.029 8.556 6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.191 7.583 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.476 8.225 4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.326 9.636 5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.717 7.816 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.569 6.725 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.080 7.736 8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.480 8.234 6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.655 9.291 7.635 1.00 0.00 H new ATOM 143 N LEU A 13 3.822 9.206 2.374 1.00 0.00 N ATOM 144 CA LEU A 13 2.597 8.524 1.959 1.00 0.00 C ATOM 145 C LEU A 13 2.800 7.830 0.616 1.00 0.00 C ATOM 146 O LEU A 13 2.312 6.721 0.394 1.00 0.00 O ATOM 147 CB LEU A 13 1.445 9.522 1.838 1.00 0.00 C ATOM 148 CG LEU A 13 0.715 9.625 3.178 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.176 11.044 3.359 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.448 8.631 3.201 1.00 0.00 C ATOM 0 H LEU A 13 3.785 10.224 2.314 1.00 0.00 H new ATOM 0 HA LEU A 13 2.353 7.779 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.827 10.500 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.753 9.202 1.059 1.00 0.00 H new ATOM 0 HG LEU A 13 1.408 9.395 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.344 11.117 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.004 11.753 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.517 11.276 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.969 8.703 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.140 8.862 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.064 7.619 3.073 1.00 0.00 H new ATOM 162 N ILE A 14 3.526 8.494 -0.278 1.00 0.00 N ATOM 163 CA ILE A 14 3.790 7.931 -1.599 1.00 0.00 C ATOM 164 C ILE A 14 4.625 6.659 -1.475 1.00 0.00 C ATOM 165 O ILE A 14 4.265 5.607 -2.003 1.00 0.00 O ATOM 166 CB ILE A 14 4.537 8.944 -2.476 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.721 10.236 -2.567 1.00 0.00 C ATOM 168 CG2 ILE A 14 4.735 8.372 -3.883 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.639 11.394 -2.964 1.00 0.00 C ATOM 0 H ILE A 14 3.938 9.413 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 14 2.833 7.692 -2.064 1.00 0.00 H new ATOM 0 HB ILE A 14 5.511 9.151 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.923 10.123 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.246 10.447 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.266 9.097 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.316 7.452 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.764 8.159 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.057 12.314 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.422 11.511 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.093 11.183 -3.932 1.00 0.00 H new ATOM 181 N SER A 15 5.749 6.770 -0.773 1.00 0.00 N ATOM 182 CA SER A 15 6.637 5.625 -0.586 1.00 0.00 C ATOM 183 C SER A 15 5.904 4.487 0.120 1.00 0.00 C ATOM 184 O SER A 15 6.177 3.311 -0.121 1.00 0.00 O ATOM 185 CB SER A 15 7.856 6.022 0.244 1.00 0.00 C ATOM 186 OG SER A 15 7.466 6.203 1.598 1.00 0.00 O ATOM 0 H SER A 15 6.065 7.632 -0.328 1.00 0.00 H new ATOM 0 HA SER A 15 6.962 5.290 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.623 5.251 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.292 6.942 -0.147 1.00 0.00 H new ATOM 0 HG SER A 15 6.612 6.683 1.631 1.00 0.00 H new ATOM 192 N GLU A 16 4.967 4.850 0.990 1.00 0.00 N ATOM 193 CA GLU A 16 4.195 3.854 1.725 1.00 0.00 C ATOM 194 C GLU A 16 3.337 3.037 0.765 1.00 0.00 C ATOM 195 O GLU A 16 3.134 1.837 0.957 1.00 0.00 O ATOM 196 CB GLU A 16 3.287 4.528 2.754 1.00 0.00 C ATOM 197 CG GLU A 16 2.899 3.516 3.835 1.00 0.00 C ATOM 198 CD GLU A 16 4.057 3.344 4.810 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.971 2.602 4.489 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.015 3.957 5.864 1.00 0.00 O ATOM 0 H GLU A 16 4.725 5.818 1.202 1.00 0.00 H new ATOM 0 HA GLU A 16 4.896 3.197 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.799 5.378 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.393 4.916 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.011 3.858 4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.649 2.558 3.379 1.00 0.00 H new ATOM 207 N GLU A 17 2.839 3.700 -0.274 1.00 0.00 N ATOM 208 CA GLU A 17 2.004 3.029 -1.266 1.00 0.00 C ATOM 209 C GLU A 17 2.843 2.068 -2.102 1.00 0.00 C ATOM 210 O GLU A 17 2.429 0.944 -2.385 1.00 0.00 O ATOM 211 CB GLU A 17 1.345 4.051 -2.193 1.00 0.00 C ATOM 212 CG GLU A 17 0.240 3.369 -3.003 1.00 0.00 C ATOM 213 CD GLU A 17 -0.437 4.395 -3.906 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.774 5.458 -3.411 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.608 4.102 -5.078 1.00 0.00 O ATOM 0 H GLU A 17 2.997 4.692 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 17 1.232 2.472 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.928 4.872 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.089 4.482 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.660 2.562 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.492 2.920 -2.332 1.00 0.00 H new ATOM 222 N ASP A 18 4.030 2.524 -2.492 1.00 0.00 N ATOM 223 CA ASP A 18 4.927 1.697 -3.295 1.00 0.00 C ATOM 224 C ASP A 18 5.330 0.447 -2.521 1.00 0.00 C ATOM 225 O ASP A 18 5.416 -0.646 -3.080 1.00 0.00 O ATOM 226 CB ASP A 18 6.188 2.480 -3.670 1.00 0.00 C ATOM 227 CG ASP A 18 6.925 1.752 -4.787 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.994 0.535 -4.731 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.412 2.421 -5.683 1.00 0.00 O ATOM 0 H ASP A 18 4.391 3.451 -2.268 1.00 0.00 H new ATOM 0 HA ASP A 18 4.397 1.409 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.922 3.487 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.836 2.584 -2.800 1.00 0.00 H new ATOM 234 N LEU A 19 5.573 0.622 -1.225 1.00 0.00 N ATOM 235 CA LEU A 19 5.964 -0.499 -0.376 1.00 0.00 C ATOM 236 C LEU A 19 4.847 -1.537 -0.323 1.00 0.00 C ATOM 237 O LEU A 19 5.097 -2.742 -0.308 1.00 0.00 O ATOM 238 CB LEU A 19 6.267 -0.018 1.044 1.00 0.00 C ATOM 239 CG LEU A 19 7.128 -1.056 1.764 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.036 -0.356 2.775 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.223 -2.050 2.495 1.00 0.00 C ATOM 0 H LEU A 19 5.507 1.519 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 19 6.861 -0.949 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.786 0.940 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.338 0.141 1.591 1.00 0.00 H new ATOM 0 HG LEU A 19 7.740 -1.588 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.649 -1.097 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.681 0.352 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.426 0.177 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.836 -2.791 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.611 -1.518 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.576 -2.551 1.775 1.00 0.00 H new ATOM 253 N LEU A 20 3.609 -1.051 -0.296 1.00 0.00 N ATOM 254 CA LEU A 20 2.453 -1.941 -0.246 1.00 0.00 C ATOM 255 C LEU A 20 2.395 -2.800 -1.506 1.00 0.00 C ATOM 256 O LEU A 20 1.975 -3.956 -1.469 1.00 0.00 O ATOM 257 CB LEU A 20 1.159 -1.132 -0.132 1.00 0.00 C ATOM 258 CG LEU A 20 0.819 -0.922 1.344 1.00 0.00 C ATOM 259 CD1 LEU A 20 -0.213 0.200 1.475 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.243 -2.215 1.925 1.00 0.00 C ATOM 0 H LEU A 20 3.382 -0.057 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 20 2.555 -2.582 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.274 -0.169 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.345 -1.655 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 20 1.723 -0.650 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.456 0.350 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.197 1.122 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.117 -0.071 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.001 -2.065 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.661 -2.488 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.978 -3.015 1.832 1.00 0.00 H new ATOM 272 N ARG A 21 2.825 -2.219 -2.623 1.00 0.00 N ATOM 273 CA ARG A 21 2.822 -2.938 -3.894 1.00 0.00 C ATOM 274 C ARG A 21 3.789 -4.116 -3.834 1.00 0.00 C ATOM 275 O ARG A 21 3.525 -5.184 -4.389 1.00 0.00 O ATOM 276 CB ARG A 21 3.236 -2.011 -5.038 1.00 0.00 C ATOM 277 CG ARG A 21 2.313 -0.790 -5.068 1.00 0.00 C ATOM 278 CD ARG A 21 2.060 -0.370 -6.519 1.00 0.00 C ATOM 279 NE ARG A 21 1.964 1.087 -6.627 1.00 0.00 N ATOM 280 CZ ARG A 21 3.049 1.875 -6.634 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.257 1.371 -6.543 1.00 0.00 N ATOM 282 NH2 ARG A 21 2.900 3.168 -6.731 1.00 0.00 N ATOM 0 H ARG A 21 3.176 -1.263 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 21 1.810 -3.302 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.271 -1.694 -4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.183 -2.543 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.368 -1.024 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.765 0.033 -4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.867 -0.734 -7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.139 -0.828 -6.880 1.00 0.00 H new ATOM 0 HE ARG A 21 1.042 1.517 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.384 0.362 -6.465 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.069 1.988 -6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.965 3.570 -6.801 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.718 3.777 -6.737 1.00 0.00 H new ATOM 296 N LYS A 22 4.912 -3.910 -3.153 1.00 0.00 N ATOM 297 CA LYS A 22 5.917 -4.962 -3.021 1.00 0.00 C ATOM 298 C LYS A 22 5.336 -6.158 -2.276 1.00 0.00 C ATOM 299 O LYS A 22 5.568 -7.311 -2.643 1.00 0.00 O ATOM 300 CB LYS A 22 7.138 -4.445 -2.260 1.00 0.00 C ATOM 301 CG LYS A 22 8.086 -3.739 -3.233 1.00 0.00 C ATOM 302 CD LYS A 22 9.292 -3.194 -2.464 1.00 0.00 C ATOM 303 CE LYS A 22 10.530 -3.239 -3.361 1.00 0.00 C ATOM 304 NZ LYS A 22 10.268 -2.471 -4.611 1.00 0.00 N ATOM 0 H LYS A 22 5.149 -3.034 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 22 6.219 -5.268 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.826 -3.756 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.652 -5.273 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.417 -4.434 -4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.566 -2.926 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.100 -2.170 -2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.460 -3.785 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.388 -2.818 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.780 -4.272 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.169 -2.270 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.658 -3.031 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.794 -1.576 -4.376 1.00 0.00 H new ATOM 318 N ARG A 23 4.575 -5.871 -1.222 1.00 0.00 N ATOM 319 CA ARG A 23 3.961 -6.931 -0.428 1.00 0.00 C ATOM 320 C ARG A 23 2.984 -7.733 -1.282 1.00 0.00 C ATOM 321 O ARG A 23 2.840 -8.944 -1.114 1.00 0.00 O ATOM 322 CB ARG A 23 3.209 -6.338 0.766 1.00 0.00 C ATOM 323 CG ARG A 23 2.761 -7.465 1.699 1.00 0.00 C ATOM 324 CD ARG A 23 3.888 -7.800 2.677 1.00 0.00 C ATOM 325 NE ARG A 23 3.372 -8.557 3.819 1.00 0.00 N ATOM 326 CZ ARG A 23 4.070 -8.694 4.957 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.255 -8.150 5.097 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.560 -9.381 5.942 1.00 0.00 N ATOM 0 H ARG A 23 4.371 -4.925 -0.901 1.00 0.00 H new ATOM 0 HA ARG A 23 4.754 -7.586 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.851 -5.640 1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.344 -5.773 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.868 -7.164 2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.496 -8.348 1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.658 -8.379 2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.359 -6.881 3.026 1.00 0.00 H new ATOM 0 HE ARG A 23 2.453 -8.994 3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.662 -7.611 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.769 -8.266 5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.639 -9.808 5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.082 -9.491 6.811 1.00 0.00 H new ATOM 342 N ARG A 24 2.314 -7.042 -2.199 1.00 0.00 N ATOM 343 CA ARG A 24 1.351 -7.695 -3.080 1.00 0.00 C ATOM 344 C ARG A 24 2.051 -8.728 -3.957 1.00 0.00 C ATOM 345 O ARG A 24 1.657 -9.894 -4.004 1.00 0.00 O ATOM 346 CB ARG A 24 0.661 -6.665 -3.977 1.00 0.00 C ATOM 347 CG ARG A 24 -0.707 -7.198 -4.412 1.00 0.00 C ATOM 348 CD ARG A 24 -1.703 -6.039 -4.503 1.00 0.00 C ATOM 349 NE ARG A 24 -2.681 -6.280 -5.567 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.334 -6.303 -6.862 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.093 -6.110 -7.237 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.251 -6.524 -7.765 1.00 0.00 N ATOM 0 H ARG A 24 2.418 -6.039 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 24 0.605 -8.190 -2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.542 -5.723 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.277 -6.459 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.624 -7.697 -5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.063 -7.942 -3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.217 -5.919 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.169 -5.108 -4.696 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.657 -6.435 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.370 -5.938 -6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.850 -6.132 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.219 -6.677 -7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.999 -6.544 -8.753 1.00 0.00 H new ATOM 366 N GLU A 25 3.095 -8.285 -4.651 1.00 0.00 N ATOM 367 CA GLU A 25 3.849 -9.178 -5.526 1.00 0.00 C ATOM 368 C GLU A 25 4.587 -10.229 -4.702 1.00 0.00 C ATOM 369 O GLU A 25 4.724 -11.380 -5.115 1.00 0.00 O ATOM 370 CB GLU A 25 4.866 -8.387 -6.351 1.00 0.00 C ATOM 371 CG GLU A 25 4.143 -7.646 -7.477 1.00 0.00 C ATOM 372 CD GLU A 25 5.167 -7.092 -8.463 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.623 -7.851 -9.302 1.00 0.00 O ATOM 374 OE2 GLU A 25 5.481 -5.917 -8.362 1.00 0.00 O ATOM 0 H GLU A 25 3.436 -7.324 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 25 3.143 -9.669 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.394 -7.677 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.616 -9.060 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.458 -8.321 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.543 -6.834 -7.066 1.00 0.00 H new ATOM 381 N GLN A 26 5.061 -9.816 -3.529 1.00 0.00 N ATOM 382 CA GLN A 26 5.787 -10.727 -2.648 1.00 0.00 C ATOM 383 C GLN A 26 4.892 -11.891 -2.231 1.00 0.00 C ATOM 384 O GLN A 26 5.335 -13.037 -2.150 1.00 0.00 O ATOM 385 CB GLN A 26 6.265 -9.993 -1.394 1.00 0.00 C ATOM 386 CG GLN A 26 7.349 -10.821 -0.699 1.00 0.00 C ATOM 387 CD GLN A 26 7.722 -10.162 0.625 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.710 -10.808 1.671 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.056 -8.900 0.639 1.00 0.00 N ATOM 0 H GLN A 26 4.957 -8.867 -3.169 1.00 0.00 H new ATOM 0 HA GLN A 26 6.649 -11.108 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.657 -9.012 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.428 -9.827 -0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.991 -11.835 -0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.228 -10.899 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.066 -8.365 -0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.307 -8.449 1.519 1.00 0.00 H new ATOM 398 N LEU A 27 3.624 -11.583 -1.969 1.00 0.00 N ATOM 399 CA LEU A 27 2.670 -12.612 -1.565 1.00 0.00 C ATOM 400 C LEU A 27 2.494 -13.638 -2.678 1.00 0.00 C ATOM 401 O LEU A 27 2.607 -14.844 -2.455 1.00 0.00 O ATOM 402 CB LEU A 27 1.311 -11.985 -1.244 1.00 0.00 C ATOM 403 CG LEU A 27 1.409 -11.196 0.064 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.364 -10.080 0.067 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.154 -12.136 1.244 1.00 0.00 C ATOM 0 H LEU A 27 3.237 -10.641 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 27 3.061 -13.105 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.001 -11.327 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.552 -12.762 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 27 2.404 -10.761 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.434 -9.518 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.544 -9.411 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.632 -10.514 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.223 -11.576 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.158 -12.570 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.899 -12.932 1.242 1.00 0.00 H new ATOM 417 N LYS A 28 2.218 -13.145 -3.882 1.00 0.00 N ATOM 418 CA LYS A 28 2.029 -14.027 -5.031 1.00 0.00 C ATOM 419 C LYS A 28 3.313 -14.796 -5.323 1.00 0.00 C ATOM 420 O LYS A 28 3.280 -15.976 -5.671 1.00 0.00 O ATOM 421 CB LYS A 28 1.640 -13.217 -6.270 1.00 0.00 C ATOM 422 CG LYS A 28 0.910 -14.122 -7.262 1.00 0.00 C ATOM 423 CD LYS A 28 0.734 -13.386 -8.592 1.00 0.00 C ATOM 424 CE LYS A 28 -0.113 -14.237 -9.539 1.00 0.00 C ATOM 425 NZ LYS A 28 0.658 -15.446 -9.945 1.00 0.00 N ATOM 0 H LYS A 28 2.121 -12.151 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 28 1.229 -14.728 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.001 -12.381 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.530 -12.793 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.475 -15.041 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.062 -14.408 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.254 -12.422 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.707 -13.184 -9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.041 -14.532 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.389 -13.656 -10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.175 -15.916 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.614 -15.165 -10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.724 -16.102 -9.141 1.00 0.00 H new ATOM 439 N HIS A 29 4.444 -14.112 -5.176 1.00 0.00 N ATOM 440 CA HIS A 29 5.739 -14.739 -5.424 1.00 0.00 C ATOM 441 C HIS A 29 6.007 -15.836 -4.398 1.00 0.00 C ATOM 442 O HIS A 29 6.656 -16.838 -4.694 1.00 0.00 O ATOM 443 CB HIS A 29 6.862 -13.702 -5.349 1.00 0.00 C ATOM 444 CG HIS A 29 6.784 -12.788 -6.541 1.00 0.00 C ATOM 445 ND1 HIS A 29 6.464 -13.249 -7.809 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.983 -11.435 -6.673 1.00 0.00 C ATOM 447 CE1 HIS A 29 6.479 -12.191 -8.641 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.790 -11.062 -7.999 1.00 0.00 N ATOM 0 H HIS A 29 4.491 -13.134 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 29 5.714 -15.174 -6.423 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.777 -13.124 -4.429 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.831 -14.201 -5.323 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.249 -10.764 -5.870 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.266 -12.248 -9.698 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.869 -10.126 -8.396 1.00 0.00 H new ATOM 456 N LYS A 30 5.498 -15.633 -3.186 1.00 0.00 N ATOM 457 CA LYS A 30 5.687 -16.612 -2.119 1.00 0.00 C ATOM 458 C LYS A 30 5.013 -17.931 -2.481 1.00 0.00 C ATOM 459 O LYS A 30 5.529 -19.010 -2.191 1.00 0.00 O ATOM 460 CB LYS A 30 5.096 -16.095 -0.806 1.00 0.00 C ATOM 461 CG LYS A 30 5.730 -16.841 0.369 1.00 0.00 C ATOM 462 CD LYS A 30 6.928 -16.046 0.893 1.00 0.00 C ATOM 463 CE LYS A 30 7.628 -16.843 1.995 1.00 0.00 C ATOM 464 NZ LYS A 30 6.669 -17.102 3.106 1.00 0.00 N ATOM 0 H LYS A 30 4.958 -14.810 -2.920 1.00 0.00 H new ATOM 0 HA LYS A 30 6.758 -16.772 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.277 -15.024 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.015 -16.238 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.997 -16.980 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.049 -17.834 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.625 -15.840 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.597 -15.083 1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.002 -17.786 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.491 -16.290 2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.194 -17.378 3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.121 -16.240 3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.022 -17.869 2.834 1.00 0.00 H new ATOM 478 N LEU A 31 3.850 -17.832 -3.119 1.00 0.00 N ATOM 479 CA LEU A 31 3.106 -19.023 -3.519 1.00 0.00 C ATOM 480 C LEU A 31 3.769 -19.690 -4.722 1.00 0.00 C ATOM 481 O LEU A 31 4.053 -20.888 -4.707 1.00 0.00 O ATOM 482 CB LEU A 31 1.666 -18.659 -3.885 1.00 0.00 C ATOM 483 CG LEU A 31 0.777 -19.898 -3.757 1.00 0.00 C ATOM 484 CD1 LEU A 31 0.465 -20.152 -2.282 1.00 0.00 C ATOM 485 CD2 LEU A 31 -0.527 -19.668 -4.521 1.00 0.00 C ATOM 0 H LEU A 31 3.406 -16.948 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 31 3.103 -19.714 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.302 -17.868 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.625 -18.273 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 31 1.295 -20.762 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.168 -21.034 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.394 -20.314 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.054 -19.288 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.162 -20.550 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.045 -18.804 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.305 -19.486 -5.573 1.00 0.00 H new ATOM 497 N GLU A 32 4.011 -18.899 -5.764 1.00 0.00 N ATOM 498 CA GLU A 32 4.640 -19.422 -6.974 1.00 0.00 C ATOM 499 C GLU A 32 6.132 -19.100 -6.984 1.00 0.00 C ATOM 500 O GLU A 32 6.712 -18.792 -8.025 1.00 0.00 O ATOM 501 CB GLU A 32 3.986 -18.816 -8.219 1.00 0.00 C ATOM 502 CG GLU A 32 4.013 -17.289 -8.119 1.00 0.00 C ATOM 503 CD GLU A 32 4.188 -16.690 -9.510 1.00 0.00 C ATOM 504 OE1 GLU A 32 3.389 -17.010 -10.375 1.00 0.00 O ATOM 505 OE2 GLU A 32 5.116 -15.919 -9.690 1.00 0.00 O ATOM 0 H GLU A 32 3.784 -17.905 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 32 4.506 -20.504 -6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.514 -19.142 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.958 -19.167 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.088 -16.927 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.829 -16.971 -7.470 1.00 0.00 H new ATOM 512 N GLN A 33 6.749 -19.178 -5.807 1.00 0.00 N ATOM 513 CA GLN A 33 8.177 -18.894 -5.685 1.00 0.00 C ATOM 514 C GLN A 33 8.994 -19.866 -6.534 1.00 0.00 C ATOM 515 O GLN A 33 10.068 -19.526 -7.028 1.00 0.00 O ATOM 516 CB GLN A 33 8.625 -19.005 -4.226 1.00 0.00 C ATOM 517 CG GLN A 33 8.217 -20.369 -3.665 1.00 0.00 C ATOM 518 CD GLN A 33 8.913 -20.597 -2.326 1.00 0.00 C ATOM 519 OE1 GLN A 33 10.126 -20.425 -2.212 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.208 -20.977 -1.296 1.00 0.00 N ATOM 0 H GLN A 33 6.289 -19.433 -4.933 1.00 0.00 H new ATOM 0 HA GLN A 33 8.346 -17.877 -6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.706 -18.881 -4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.174 -18.208 -3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.135 -20.413 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.487 -21.158 -4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.202 -21.119 -1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.662 -21.132 -0.396 1.00 0.00 H new ATOM 529 N LEU A 34 8.472 -21.079 -6.697 1.00 0.00 N ATOM 530 CA LEU A 34 9.164 -22.094 -7.488 1.00 0.00 C ATOM 531 C LEU A 34 8.156 -22.999 -8.189 1.00 0.00 C ATOM 532 O LEU A 34 8.423 -24.180 -8.421 1.00 0.00 O ATOM 533 CB LEU A 34 10.066 -22.947 -6.596 1.00 0.00 C ATOM 534 CG LEU A 34 11.392 -22.221 -6.366 1.00 0.00 C ATOM 535 CD1 LEU A 34 12.195 -22.953 -5.290 1.00 0.00 C ATOM 536 CD2 LEU A 34 12.193 -22.198 -7.670 1.00 0.00 C ATOM 0 H LEU A 34 7.583 -21.381 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 34 9.774 -21.583 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.575 -23.139 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.246 -23.915 -7.063 1.00 0.00 H new ATOM 0 HG LEU A 34 11.195 -21.200 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.140 -22.435 -5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.626 -22.972 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.392 -23.974 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.138 -21.681 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.390 -23.220 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.622 -21.677 -8.439 1.00 0.00 H new HETATM 548 N NH2 A 35 7.001 -22.512 -8.546 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 0.292 26.475 -1.465 1.00 0.00 C HETATM 553 O ACE B 2 0.764 27.405 -2.120 1.00 0.00 O HETATM 554 CH3 ACE B 2 -0.406 26.724 -0.133 1.00 0.00 C HETATM 0 H1 ACE B 2 -1.437 26.375 -0.191 1.00 0.00 H new HETATM 0 H2 ACE B 2 0.116 26.185 0.658 1.00 0.00 H new HETATM 0 H3 ACE B 2 -0.397 27.791 0.089 1.00 0.00 H new ATOM 558 N CYS B 3 0.353 25.206 -1.859 1.00 0.00 N ATOM 559 CA CYS B 3 0.998 24.840 -3.118 1.00 0.00 C ATOM 560 C CYS B 3 0.266 23.671 -3.771 1.00 0.00 C ATOM 561 O CYS B 3 0.875 22.830 -4.434 1.00 0.00 O ATOM 562 CB CYS B 3 2.461 24.449 -2.883 1.00 0.00 C ATOM 563 SG CYS B 3 2.552 23.145 -1.629 1.00 0.00 S ATOM 0 H CYS B 3 -0.031 24.421 -1.332 1.00 0.00 H new ATOM 0 HA CYS B 3 0.960 25.707 -3.778 1.00 0.00 H new ATOM 0 HB2 CYS B 3 2.909 24.103 -3.814 1.00 0.00 H new ATOM 0 HB3 CYS B 3 3.032 25.319 -2.559 1.00 0.00 H new ATOM 568 N GLY B 4 -1.047 23.627 -3.575 1.00 0.00 N ATOM 569 CA GLY B 4 -1.859 22.556 -4.149 1.00 0.00 C ATOM 570 C GLY B 4 -2.672 21.855 -3.066 1.00 0.00 C ATOM 571 O GLY B 4 -2.481 22.091 -1.874 1.00 0.00 O ATOM 0 H GLY B 4 -1.569 24.312 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -2.529 22.966 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -1.215 21.834 -4.651 1.00 0.00 H new ATOM 575 N GLY B 5 -3.584 20.988 -3.497 1.00 0.00 N ATOM 576 CA GLY B 5 -4.426 20.254 -2.558 1.00 0.00 C ATOM 577 C GLY B 5 -3.580 19.364 -1.654 1.00 0.00 C ATOM 578 O GLY B 5 -3.128 18.293 -2.058 1.00 0.00 O ATOM 0 H GLY B 5 -3.758 20.778 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -4.999 20.955 -1.952 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -5.145 19.645 -3.106 1.00 0.00 H new ATOM 582 N MET B 6 -3.370 19.823 -0.423 1.00 0.00 N ATOM 583 CA MET B 6 -2.573 19.063 0.536 1.00 0.00 C ATOM 584 C MET B 6 -3.408 17.943 1.151 1.00 0.00 C ATOM 585 O MET B 6 -3.104 16.762 0.989 1.00 0.00 O ATOM 586 CB MET B 6 -2.063 19.975 1.653 1.00 0.00 C ATOM 587 CG MET B 6 -1.149 21.048 1.058 1.00 0.00 C ATOM 588 SD MET B 6 -0.241 21.874 2.388 1.00 0.00 S ATOM 589 CE MET B 6 -1.661 22.699 3.152 1.00 0.00 C ATOM 0 H MET B 6 -3.736 20.707 -0.069 1.00 0.00 H new ATOM 0 HA MET B 6 -1.724 18.635 0.003 1.00 0.00 H new ATOM 0 HB2 MET B 6 -2.903 20.442 2.168 1.00 0.00 H new ATOM 0 HB3 MET B 6 -1.520 19.390 2.395 1.00 0.00 H new ATOM 0 HG2 MET B 6 -0.451 20.596 0.353 1.00 0.00 H new ATOM 0 HG3 MET B 6 -1.739 21.775 0.500 1.00 0.00 H new ATOM 0 HE1 MET B 6 -1.313 23.533 3.762 1.00 0.00 H new ATOM 0 HE2 MET B 6 -2.327 23.072 2.374 1.00 0.00 H new ATOM 0 HE3 MET B 6 -2.199 21.990 3.781 1.00 0.00 H new ATOM 599 N ARG B 7 -4.463 18.330 1.862 1.00 0.00 N ATOM 600 CA ARG B 7 -5.338 17.352 2.502 1.00 0.00 C ATOM 601 C ARG B 7 -6.000 16.463 1.454 1.00 0.00 C ATOM 602 O ARG B 7 -6.262 15.285 1.694 1.00 0.00 O ATOM 603 CB ARG B 7 -6.426 18.056 3.316 1.00 0.00 C ATOM 604 CG ARG B 7 -6.794 17.198 4.527 1.00 0.00 C ATOM 605 CD ARG B 7 -7.635 18.024 5.501 1.00 0.00 C ATOM 606 NE ARG B 7 -7.961 17.238 6.695 1.00 0.00 N ATOM 607 CZ ARG B 7 -7.069 17.028 7.674 1.00 0.00 C ATOM 608 NH1 ARG B 7 -5.856 17.520 7.608 1.00 0.00 N ATOM 609 NH2 ARG B 7 -7.416 16.318 8.714 1.00 0.00 N ATOM 0 H ARG B 7 -4.731 19.303 2.009 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.728 16.740 3.166 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.074 19.034 3.644 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.306 18.225 2.696 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -7.350 16.317 4.206 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -5.890 16.842 5.022 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -7.090 18.923 5.788 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -8.553 18.350 5.012 1.00 0.00 H new ATOM 0 HE ARG B 7 -8.895 16.839 6.784 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -5.574 18.075 6.800 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -5.194 17.348 8.364 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -8.357 15.930 8.775 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -6.746 16.152 9.465 1.00 0.00 H new ATOM 623 N ARG B 8 -6.268 17.042 0.287 1.00 0.00 N ATOM 624 CA ARG B 8 -6.900 16.295 -0.796 1.00 0.00 C ATOM 625 C ARG B 8 -5.998 15.155 -1.256 1.00 0.00 C ATOM 626 O ARG B 8 -6.408 13.995 -1.295 1.00 0.00 O ATOM 627 CB ARG B 8 -7.189 17.214 -1.985 1.00 0.00 C ATOM 628 CG ARG B 8 -8.586 17.818 -1.836 1.00 0.00 C ATOM 629 CD ARG B 8 -8.503 19.102 -1.007 1.00 0.00 C ATOM 630 NE ARG B 8 -8.279 20.262 -1.873 1.00 0.00 N ATOM 631 CZ ARG B 8 -9.240 20.748 -2.675 1.00 0.00 C ATOM 632 NH1 ARG B 8 -10.431 20.201 -2.719 1.00 0.00 N ATOM 633 NH2 ARG B 8 -8.984 21.786 -3.424 1.00 0.00 N ATOM 0 H ARG B 8 -6.060 18.016 0.068 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.837 15.886 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.442 18.006 -2.036 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.122 16.653 -2.917 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -9.007 18.034 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -9.253 17.104 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.425 19.236 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.693 19.021 -0.282 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.365 20.714 -1.867 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.642 19.390 -2.137 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -11.147 20.586 -3.335 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -8.061 22.220 -3.396 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -9.707 22.163 -4.037 1.00 0.00 H new ATOM 647 N LYS B 9 -4.760 15.500 -1.602 1.00 0.00 N ATOM 648 CA LYS B 9 -3.799 14.498 -2.058 1.00 0.00 C ATOM 649 C LYS B 9 -3.528 13.479 -0.955 1.00 0.00 C ATOM 650 O LYS B 9 -3.311 12.297 -1.222 1.00 0.00 O ATOM 651 CB LYS B 9 -2.482 15.163 -2.459 1.00 0.00 C ATOM 652 CG LYS B 9 -1.791 14.323 -3.535 1.00 0.00 C ATOM 653 CD LYS B 9 -0.580 15.083 -4.078 1.00 0.00 C ATOM 654 CE LYS B 9 0.401 14.096 -4.712 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.024 13.804 -6.110 1.00 0.00 N ATOM 0 H LYS B 9 -4.401 16.454 -1.576 1.00 0.00 H new ATOM 0 HA LYS B 9 -4.226 13.991 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.670 16.169 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.833 15.263 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.476 13.367 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.488 14.104 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.900 15.818 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.091 15.631 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS B 9 1.408 14.513 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.434 13.175 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.642 13.133 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -0.978 13.389 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.034 14.686 -6.661 1.00 0.00 H new ATOM 669 N ASN B 10 -3.539 13.953 0.287 1.00 0.00 N ATOM 670 CA ASN B 10 -3.293 13.078 1.429 1.00 0.00 C ATOM 671 C ASN B 10 -4.437 12.082 1.594 1.00 0.00 C ATOM 672 O ASN B 10 -4.229 10.934 1.984 1.00 0.00 O ATOM 673 CB ASN B 10 -3.157 13.898 2.714 1.00 0.00 C ATOM 674 CG ASN B 10 -1.705 14.328 2.893 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.888 13.572 3.416 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.331 15.510 2.486 1.00 0.00 N ATOM 0 H ASN B 10 -3.714 14.929 0.528 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.365 12.538 1.244 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.804 14.774 2.669 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.480 13.307 3.571 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.362 15.806 2.602 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.008 16.138 2.052 1.00 0.00 H new ATOM 683 N ASP B 11 -5.649 12.539 1.292 1.00 0.00 N ATOM 684 CA ASP B 11 -6.827 11.682 1.409 1.00 0.00 C ATOM 685 C ASP B 11 -6.801 10.593 0.341 1.00 0.00 C ATOM 686 O ASP B 11 -7.193 9.452 0.589 1.00 0.00 O ATOM 687 CB ASP B 11 -8.106 12.505 1.250 1.00 0.00 C ATOM 688 CG ASP B 11 -8.543 13.035 2.612 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.113 14.120 2.969 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.302 12.349 3.277 1.00 0.00 O ATOM 0 H ASP B 11 -5.841 13.487 0.968 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.812 11.223 2.397 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.935 13.334 0.563 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.895 11.890 0.817 1.00 0.00 H new ATOM 695 N THR B 12 -6.335 10.959 -0.849 1.00 0.00 N ATOM 696 CA THR B 12 -6.263 10.006 -1.953 1.00 0.00 C ATOM 697 C THR B 12 -5.192 8.954 -1.680 1.00 0.00 C ATOM 698 O THR B 12 -5.345 7.784 -2.031 1.00 0.00 O ATOM 699 CB THR B 12 -5.930 10.726 -3.263 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.728 11.465 -3.103 1.00 0.00 O ATOM 701 CG2 THR B 12 -7.071 11.678 -3.626 1.00 0.00 C ATOM 0 H THR B 12 -6.005 11.898 -1.073 1.00 0.00 H new ATOM 0 HA THR B 12 -7.235 9.522 -2.042 1.00 0.00 H new ATOM 0 HB THR B 12 -5.803 9.993 -4.059 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.539 11.580 -2.148 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.834 12.191 -4.558 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.994 11.110 -3.748 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.199 12.412 -2.831 1.00 0.00 H new ATOM 709 N HIS B 13 -4.104 9.386 -1.047 1.00 0.00 N ATOM 710 CA HIS B 13 -3.009 8.475 -0.728 1.00 0.00 C ATOM 711 C HIS B 13 -3.487 7.382 0.223 1.00 0.00 C ATOM 712 O HIS B 13 -3.044 6.236 0.149 1.00 0.00 O ATOM 713 CB HIS B 13 -1.854 9.233 -0.071 1.00 0.00 C ATOM 714 CG HIS B 13 -1.040 9.924 -1.131 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.420 9.228 -2.158 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.732 11.245 -1.336 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.222 10.127 -2.927 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.065 11.371 -2.470 1.00 0.00 N ATOM 0 H HIS B 13 -3.958 10.350 -0.748 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.665 8.025 -1.659 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.242 9.964 0.639 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.226 8.543 0.493 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.446 8.219 -2.304 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -1.059 12.064 -0.712 1.00 0.00 H new ATOM 0 HE1 HIS B 13 0.794 9.873 -3.807 1.00 0.00 H new ATOM 726 N GLN B 14 -4.396 7.753 1.121 1.00 0.00 N ATOM 727 CA GLN B 14 -4.931 6.799 2.088 1.00 0.00 C ATOM 728 C GLN B 14 -5.834 5.782 1.396 1.00 0.00 C ATOM 729 O GLN B 14 -5.865 4.608 1.761 1.00 0.00 O ATOM 730 CB GLN B 14 -5.736 7.526 3.167 1.00 0.00 C ATOM 731 CG GLN B 14 -4.792 8.013 4.268 1.00 0.00 C ATOM 732 CD GLN B 14 -4.214 6.812 5.009 1.00 0.00 C ATOM 733 OE1 GLN B 14 -3.166 6.287 4.633 1.00 0.00 O ATOM 734 NE2 GLN B 14 -4.841 6.341 6.054 1.00 0.00 N ATOM 0 H GLN B 14 -4.774 8.697 1.199 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.089 6.281 2.548 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.269 8.371 2.731 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.487 6.858 3.587 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.988 8.609 3.836 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.329 8.659 4.963 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.709 6.775 6.366 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.462 5.539 6.558 1.00 0.00 H new ATOM 743 N GLN B 15 -6.572 6.249 0.391 1.00 0.00 N ATOM 744 CA GLN B 15 -7.476 5.372 -0.348 1.00 0.00 C ATOM 745 C GLN B 15 -6.696 4.257 -1.037 1.00 0.00 C ATOM 746 O GLN B 15 -6.981 3.075 -0.850 1.00 0.00 O ATOM 747 CB GLN B 15 -8.248 6.166 -1.405 1.00 0.00 C ATOM 748 CG GLN B 15 -9.589 5.482 -1.681 1.00 0.00 C ATOM 749 CD GLN B 15 -10.213 6.074 -2.939 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.844 7.130 -2.889 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.074 5.450 -4.077 1.00 0.00 N ATOM 0 H GLN B 15 -6.563 7.218 0.073 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.177 4.937 0.364 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.413 7.187 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.665 6.231 -2.324 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.443 4.409 -1.805 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -10.259 5.616 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.551 4.575 -4.118 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -10.488 5.837 -4.925 1.00 0.00 H new ATOM 760 N ASP B 16 -5.702 4.648 -1.832 1.00 0.00 N ATOM 761 CA ASP B 16 -4.880 3.670 -2.543 1.00 0.00 C ATOM 762 C ASP B 16 -4.156 2.769 -1.549 1.00 0.00 C ATOM 763 O ASP B 16 -4.024 1.564 -1.761 1.00 0.00 O ATOM 764 CB ASP B 16 -3.845 4.378 -3.420 1.00 0.00 C ATOM 765 CG ASP B 16 -3.507 3.498 -4.619 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.258 2.321 -4.413 1.00 0.00 O ATOM 767 OD2 ASP B 16 -3.500 4.014 -5.724 1.00 0.00 O ATOM 0 H ASP B 16 -5.448 5.622 -1.999 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.536 3.068 -3.172 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -4.235 5.338 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.944 4.586 -2.842 1.00 0.00 H new ATOM 772 N ILE B 17 -3.697 3.370 -0.456 1.00 0.00 N ATOM 773 CA ILE B 17 -2.991 2.621 0.580 1.00 0.00 C ATOM 774 C ILE B 17 -3.920 1.570 1.186 1.00 0.00 C ATOM 775 O ILE B 17 -3.752 0.369 0.978 1.00 0.00 O ATOM 776 CB ILE B 17 -2.492 3.589 1.683 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.181 4.230 1.226 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.254 2.855 3.019 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.914 5.491 2.049 1.00 0.00 C ATOM 0 H ILE B 17 -3.800 4.367 -0.264 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.132 2.119 0.135 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.259 4.347 1.844 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.358 3.525 1.345 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.236 4.480 0.166 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.905 3.566 3.768 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.186 2.402 3.356 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.503 2.078 2.878 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.021 5.947 1.723 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.732 6.198 1.908 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.840 5.228 3.104 1.00 0.00 H new ATOM 791 N ASP B 18 -4.878 2.050 1.974 1.00 0.00 N ATOM 792 CA ASP B 18 -5.821 1.172 2.660 1.00 0.00 C ATOM 793 C ASP B 18 -6.412 0.121 1.711 1.00 0.00 C ATOM 794 O ASP B 18 -6.784 -0.974 2.131 1.00 0.00 O ATOM 795 CB ASP B 18 -6.963 1.996 3.269 1.00 0.00 C ATOM 796 CG ASP B 18 -6.659 2.292 4.734 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.728 3.039 4.986 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.362 1.768 5.582 1.00 0.00 O ATOM 0 H ASP B 18 -5.022 3.044 2.153 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.271 0.656 3.447 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.086 2.928 2.718 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.903 1.450 3.186 1.00 0.00 H new ATOM 803 N ASP B 19 -6.493 0.472 0.429 1.00 0.00 N ATOM 804 CA ASP B 19 -7.038 -0.447 -0.570 1.00 0.00 C ATOM 805 C ASP B 19 -6.017 -1.527 -0.918 1.00 0.00 C ATOM 806 O ASP B 19 -6.375 -2.660 -1.237 1.00 0.00 O ATOM 807 CB ASP B 19 -7.417 0.311 -1.842 1.00 0.00 C ATOM 808 CG ASP B 19 -8.269 -0.586 -2.734 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.720 -1.512 -3.309 1.00 0.00 O ATOM 810 OD2 ASP B 19 -9.460 -0.334 -2.828 1.00 0.00 O ATOM 0 H ASP B 19 -6.193 1.374 0.060 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.927 -0.914 -0.147 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.967 1.217 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.518 0.622 -2.374 1.00 0.00 H new ATOM 815 N LEU B 20 -4.739 -1.165 -0.854 1.00 0.00 N ATOM 816 CA LEU B 20 -3.670 -2.112 -1.162 1.00 0.00 C ATOM 817 C LEU B 20 -3.506 -3.116 -0.024 1.00 0.00 C ATOM 818 O LEU B 20 -3.191 -4.285 -0.249 1.00 0.00 O ATOM 819 CB LEU B 20 -2.345 -1.377 -1.371 1.00 0.00 C ATOM 820 CG LEU B 20 -2.349 -0.691 -2.737 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.252 0.373 -2.779 1.00 0.00 C ATOM 822 CD2 LEU B 20 -2.092 -1.731 -3.830 1.00 0.00 C ATOM 0 H LEU B 20 -4.419 -0.232 -0.594 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.940 -2.638 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.199 -0.639 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.514 -2.080 -1.308 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.318 -0.219 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.256 0.861 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.434 1.114 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.283 -0.097 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.095 -1.243 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -1.124 -2.203 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.874 -2.489 -3.802 1.00 0.00 H new ATOM 834 N LYS B 21 -3.722 -2.646 1.202 1.00 0.00 N ATOM 835 CA LYS B 21 -3.595 -3.508 2.373 1.00 0.00 C ATOM 836 C LYS B 21 -4.722 -4.536 2.406 1.00 0.00 C ATOM 837 O LYS B 21 -4.490 -5.726 2.613 1.00 0.00 O ATOM 838 CB LYS B 21 -3.642 -2.677 3.657 1.00 0.00 C ATOM 839 CG LYS B 21 -2.265 -2.065 3.921 1.00 0.00 C ATOM 840 CD LYS B 21 -2.312 -1.241 5.210 1.00 0.00 C ATOM 841 CE LYS B 21 -0.902 -1.125 5.791 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.189 0.009 5.143 1.00 0.00 N ATOM 0 H LYS B 21 -3.983 -1.682 1.409 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.636 -4.023 2.308 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.390 -1.889 3.566 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.940 -3.304 4.497 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.516 -2.852 4.007 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.969 -1.433 3.083 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.716 -0.249 5.006 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.977 -1.714 5.933 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.953 -0.968 6.868 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.353 -2.053 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.300 0.571 5.868 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.506 -0.361 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -0.875 0.610 4.643 1.00 0.00 H new ATOM 856 N ARG B 22 -5.946 -4.059 2.199 1.00 0.00 N ATOM 857 CA ARG B 22 -7.113 -4.941 2.207 1.00 0.00 C ATOM 858 C ARG B 22 -6.975 -6.026 1.140 1.00 0.00 C ATOM 859 O ARG B 22 -7.451 -7.148 1.309 1.00 0.00 O ATOM 860 CB ARG B 22 -8.392 -4.140 1.946 1.00 0.00 C ATOM 861 CG ARG B 22 -8.253 -3.358 0.640 1.00 0.00 C ATOM 862 CD ARG B 22 -9.592 -2.708 0.287 1.00 0.00 C ATOM 863 NE ARG B 22 -9.772 -2.652 -1.165 1.00 0.00 N ATOM 864 CZ ARG B 22 -10.964 -2.405 -1.727 1.00 0.00 C ATOM 865 NH1 ARG B 22 -12.032 -2.199 -0.994 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.063 -2.368 -3.027 1.00 0.00 N ATOM 0 H ARG B 22 -6.157 -3.076 2.025 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.173 -5.409 3.190 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.248 -4.812 1.889 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.579 -3.455 2.773 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.482 -2.594 0.742 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.938 -4.024 -0.163 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.407 -3.274 0.738 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.634 -1.701 0.703 1.00 0.00 H new ATOM 0 HE ARG B 22 -8.964 -2.806 -1.769 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.965 -2.225 0.023 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.929 -2.013 -1.441 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.238 -2.526 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.965 -2.181 -3.465 1.00 0.00 H new ATOM 880 N GLN B 23 -6.312 -5.677 0.040 1.00 0.00 N ATOM 881 CA GLN B 23 -6.111 -6.626 -1.050 1.00 0.00 C ATOM 882 C GLN B 23 -4.991 -7.601 -0.700 1.00 0.00 C ATOM 883 O GLN B 23 -5.124 -8.812 -0.876 1.00 0.00 O ATOM 884 CB GLN B 23 -5.751 -5.892 -2.342 1.00 0.00 C ATOM 885 CG GLN B 23 -5.747 -6.881 -3.511 1.00 0.00 C ATOM 886 CD GLN B 23 -7.162 -7.399 -3.748 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.139 -6.702 -3.472 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.331 -8.593 -4.248 1.00 0.00 N ATOM 0 H GLN B 23 -5.909 -4.754 -0.119 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.041 -7.175 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.469 -5.094 -2.531 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.771 -5.424 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.372 -6.394 -4.411 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.076 -7.712 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.521 -9.170 -4.476 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -8.273 -8.949 -4.410 1.00 0.00 H new ATOM 897 N ASN B 24 -3.885 -7.056 -0.201 1.00 0.00 N ATOM 898 CA ASN B 24 -2.743 -7.885 0.175 1.00 0.00 C ATOM 899 C ASN B 24 -3.124 -8.831 1.308 1.00 0.00 C ATOM 900 O ASN B 24 -2.632 -9.957 1.390 1.00 0.00 O ATOM 901 CB ASN B 24 -1.571 -7.011 0.629 1.00 0.00 C ATOM 902 CG ASN B 24 -0.919 -6.362 -0.588 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.032 -6.864 -1.705 1.00 0.00 O ATOM 904 ND2 ASN B 24 -0.233 -5.263 -0.434 1.00 0.00 N ATOM 0 H ASN B 24 -3.755 -6.056 -0.049 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.445 -8.464 -0.699 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.922 -6.244 1.319 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.841 -7.615 1.168 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.209 -4.821 -1.240 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.139 -4.846 0.492 1.00 0.00 H new ATOM 911 N ALA B 25 -4.011 -8.361 2.181 1.00 0.00 N ATOM 912 CA ALA B 25 -4.459 -9.171 3.309 1.00 0.00 C ATOM 913 C ALA B 25 -5.304 -10.342 2.820 1.00 0.00 C ATOM 914 O ALA B 25 -5.291 -11.424 3.409 1.00 0.00 O ATOM 915 CB ALA B 25 -5.289 -8.328 4.277 1.00 0.00 C ATOM 0 H ALA B 25 -4.430 -7.432 2.130 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.576 -9.549 3.824 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.615 -8.948 5.112 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.684 -7.503 4.652 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.161 -7.931 3.758 1.00 0.00 H new ATOM 921 N LEU B 26 -6.039 -10.115 1.736 1.00 0.00 N ATOM 922 CA LEU B 26 -6.888 -11.161 1.171 1.00 0.00 C ATOM 923 C LEU B 26 -6.038 -12.229 0.491 1.00 0.00 C ATOM 924 O LEU B 26 -6.338 -13.421 0.562 1.00 0.00 O ATOM 925 CB LEU B 26 -7.858 -10.569 0.146 1.00 0.00 C ATOM 926 CG LEU B 26 -9.163 -11.367 0.157 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.325 -10.453 -0.232 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.064 -12.519 -0.846 1.00 0.00 C ATOM 0 H LEU B 26 -6.065 -9.227 1.235 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.453 -11.612 1.987 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.057 -9.523 0.380 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.413 -10.594 -0.849 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.335 -11.767 1.156 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -11.254 -11.023 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -10.396 -9.632 0.481 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.154 -10.052 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -9.993 -13.088 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -8.892 -12.118 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.236 -13.172 -0.569 1.00 0.00 H new ATOM 940 N LEU B 27 -4.971 -11.788 -0.169 1.00 0.00 N ATOM 941 CA LEU B 27 -4.079 -12.714 -0.862 1.00 0.00 C ATOM 942 C LEU B 27 -3.411 -13.655 0.136 1.00 0.00 C ATOM 943 O LEU B 27 -3.423 -14.874 -0.035 1.00 0.00 O ATOM 944 CB LEU B 27 -2.997 -11.947 -1.624 1.00 0.00 C ATOM 945 CG LEU B 27 -3.652 -11.066 -2.690 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.593 -10.168 -3.331 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.285 -11.952 -3.765 1.00 0.00 C ATOM 0 H LEU B 27 -4.704 -10.806 -0.239 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.676 -13.293 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.418 -11.333 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.302 -12.645 -2.090 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.422 -10.448 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.059 -9.540 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.140 -9.537 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.824 -10.786 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.752 -11.325 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.515 -12.570 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.040 -12.593 -3.310 1.00 0.00 H new ATOM 959 N GLU B 28 -2.829 -13.074 1.182 1.00 0.00 N ATOM 960 CA GLU B 28 -2.157 -13.859 2.207 1.00 0.00 C ATOM 961 C GLU B 28 -3.135 -14.821 2.877 1.00 0.00 C ATOM 962 O GLU B 28 -2.760 -15.911 3.310 1.00 0.00 O ATOM 963 CB GLU B 28 -1.557 -12.930 3.262 1.00 0.00 C ATOM 964 CG GLU B 28 -2.652 -12.041 3.859 1.00 0.00 C ATOM 965 CD GLU B 28 -2.080 -11.249 5.030 1.00 0.00 C ATOM 966 OE1 GLU B 28 -2.075 -11.775 6.130 1.00 0.00 O ATOM 967 OE2 GLU B 28 -1.655 -10.127 4.809 1.00 0.00 O ATOM 0 H GLU B 28 -2.810 -12.066 1.340 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.364 -14.437 1.732 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.084 -13.517 4.049 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -0.779 -12.312 2.814 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -3.038 -11.361 3.100 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -3.490 -12.653 4.194 1.00 0.00 H new ATOM 974 N GLN B 29 -4.397 -14.404 2.957 1.00 0.00 N ATOM 975 CA GLN B 29 -5.430 -15.235 3.576 1.00 0.00 C ATOM 976 C GLN B 29 -5.555 -16.567 2.843 1.00 0.00 C ATOM 977 O GLN B 29 -5.589 -17.631 3.459 1.00 0.00 O ATOM 978 CB GLN B 29 -6.783 -14.519 3.543 1.00 0.00 C ATOM 979 CG GLN B 29 -7.681 -15.073 4.652 1.00 0.00 C ATOM 980 CD GLN B 29 -7.514 -14.229 5.911 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.291 -13.306 6.153 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.538 -14.495 6.736 1.00 0.00 N ATOM 0 H GLN B 29 -4.728 -13.505 2.605 1.00 0.00 H new ATOM 0 HA GLN B 29 -5.140 -15.417 4.611 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.642 -13.446 3.676 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.257 -14.660 2.572 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -8.722 -15.063 4.330 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -7.422 -16.111 4.860 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -5.894 -15.260 6.535 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -6.419 -13.938 7.582 1.00 0.00 H new ATOM 991 N GLN B 30 -5.620 -16.494 1.515 1.00 0.00 N ATOM 992 CA GLN B 30 -5.735 -17.699 0.702 1.00 0.00 C ATOM 993 C GLN B 30 -4.437 -18.497 0.753 1.00 0.00 C ATOM 994 O GLN B 30 -4.443 -19.728 0.707 1.00 0.00 O ATOM 995 CB GLN B 30 -6.041 -17.338 -0.754 1.00 0.00 C ATOM 996 CG GLN B 30 -6.827 -18.474 -1.409 1.00 0.00 C ATOM 997 CD GLN B 30 -8.321 -18.205 -1.270 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.767 -17.064 -1.389 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.131 -19.198 -1.025 1.00 0.00 N ATOM 0 H GLN B 30 -5.595 -15.623 0.985 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.550 -18.300 1.104 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.615 -16.413 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.113 -17.163 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.558 -18.557 -2.462 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.573 -19.424 -0.940 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.763 -20.144 -0.926 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.133 -19.028 -0.932 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.321 -17.780 0.852 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.012 -18.424 0.912 1.00 0.00 C ATOM 1010 C VAL B 31 -1.845 -19.153 2.243 1.00 0.00 C ATOM 1011 O VAL B 31 -1.210 -20.206 2.318 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.895 -17.384 0.763 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.464 -18.085 0.697 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.112 -16.582 -0.525 1.00 0.00 C ATOM 0 H VAL B 31 -3.296 -16.761 0.892 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.946 -19.140 0.093 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.915 -16.714 1.623 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.253 -17.340 0.591 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.624 -18.655 1.612 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.484 -18.759 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.318 -15.843 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.096 -17.257 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.076 -16.075 -0.480 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.424 -18.580 3.295 1.00 0.00 N ATOM 1025 CA ARG B 32 -2.336 -19.181 4.624 1.00 0.00 C ATOM 1026 C ARG B 32 -3.111 -20.494 4.668 1.00 0.00 C ATOM 1027 O ARG B 32 -2.745 -21.424 5.387 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.905 -18.231 5.680 1.00 0.00 C ATOM 1029 CG ARG B 32 -2.603 -18.781 7.075 1.00 0.00 C ATOM 1030 CD ARG B 32 -2.375 -17.618 8.043 1.00 0.00 C ATOM 1031 NE ARG B 32 -0.951 -17.284 8.123 1.00 0.00 N ATOM 1032 CZ ARG B 32 -0.458 -16.489 9.084 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -1.238 -15.970 10.003 1.00 0.00 N ATOM 1034 NH2 ARG B 32 0.819 -16.226 9.105 1.00 0.00 N ATOM 0 H ARG B 32 -2.954 -17.709 3.255 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.284 -19.373 4.837 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.468 -17.239 5.566 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -3.981 -18.122 5.545 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -3.431 -19.399 7.421 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.720 -19.420 7.043 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.940 -16.747 7.712 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -2.748 -17.883 9.032 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.314 -17.668 7.425 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -2.238 -16.169 9.995 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -0.844 -15.368 10.726 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.433 -16.624 8.395 1.00 0.00 H new ATOM 0 HH22 ARG B 32 1.204 -15.622 9.832 1.00 0.00 H new ATOM 1048 N ALA B 33 -4.189 -20.560 3.890 1.00 0.00 N ATOM 1049 CA ALA B 33 -5.013 -21.766 3.847 1.00 0.00 C ATOM 1050 C ALA B 33 -4.672 -22.601 2.616 1.00 0.00 C ATOM 1051 O ALA B 33 -5.534 -23.265 2.040 1.00 0.00 O ATOM 1052 CB ALA B 33 -6.496 -21.397 3.804 1.00 0.00 C ATOM 0 H ALA B 33 -4.510 -19.802 3.287 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.809 -22.346 4.747 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -7.096 -22.306 3.772 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.754 -20.823 4.694 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.696 -20.799 2.915 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.403 -22.560 2.219 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.955 -23.318 1.054 1.00 0.00 C ATOM 1060 C LEU B 34 -1.534 -23.830 1.267 1.00 0.00 C ATOM 1061 O LEU B 34 -0.562 -23.137 0.969 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.986 -22.440 -0.200 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.382 -22.487 -0.822 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -4.519 -21.369 -1.855 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.591 -23.840 -1.504 1.00 0.00 C ATOM 0 H LEU B 34 -2.674 -22.016 2.681 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.630 -24.163 0.922 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.725 -21.413 0.056 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.244 -22.788 -0.919 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.131 -22.354 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.514 -21.403 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.371 -20.405 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.770 -21.501 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.586 -23.874 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.841 -23.974 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.495 -24.638 -0.767 1.00 0.00 H new HETATM 1077 N NH2 B 35 -1.356 -25.021 1.771 1.00 0.00 N TER 1080 NH2 B 35