USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.0309 X(o=-0.031,f=0) 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 X(o=0,f=0.055) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0655 (180deg=-0.349) USER MOD Single : A 29 HIS : no HD1:sc= -0.977 X(o=-0.98,f=-0.71) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.27 K(o=-1.3,f=-6.9!) USER MOD Single : B 12 THR OG1 : rot 21:sc= 0.789 USER MOD Single : B 13 HIS : no HE2:sc= -1.38 X(o=-1.4,f=-0.92) USER MOD Single : B 14 GLN : amide:sc= -0.783 K(o=-0.78,f=-1.9!) USER MOD Single : B 15 GLN : amide:sc= -1.72 K(o=-1.7,f=-4.2!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.19) USER MOD Single : B 24 ASN : amide:sc= -3.01 K(o=-3,f=-13!) USER MOD Single : B 29 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.76) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.234 18.351 3.138 1.00 0.00 N ATOM 48 CA GLN A 7 5.276 17.938 2.199 1.00 0.00 C ATOM 49 C GLN A 7 5.988 16.683 2.701 1.00 0.00 C ATOM 50 O GLN A 7 6.308 15.782 1.926 1.00 0.00 O ATOM 51 CB GLN A 7 6.306 19.059 2.008 1.00 0.00 C ATOM 52 CG GLN A 7 6.926 19.436 3.359 1.00 0.00 C ATOM 53 CD GLN A 7 7.842 20.640 3.179 1.00 0.00 C ATOM 54 OE1 GLN A 7 7.742 21.620 3.919 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.739 20.628 2.232 1.00 0.00 N ATOM 0 HA GLN A 7 4.797 17.722 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.085 18.735 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.828 19.931 1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.141 19.667 4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.489 18.594 3.760 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.823 19.817 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.357 21.429 2.105 1.00 0.00 H new ATOM 64 N ALA A 8 6.230 16.637 4.009 1.00 0.00 N ATOM 65 CA ALA A 8 6.906 15.490 4.608 1.00 0.00 C ATOM 66 C ALA A 8 5.950 14.305 4.720 1.00 0.00 C ATOM 67 O ALA A 8 6.307 13.170 4.408 1.00 0.00 O ATOM 68 CB ALA A 8 7.426 15.843 6.003 1.00 0.00 C ATOM 0 H ALA A 8 5.971 17.372 4.668 1.00 0.00 H new ATOM 0 HA ALA A 8 7.744 15.221 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.927 14.976 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.131 16.671 5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.591 16.134 6.640 1.00 0.00 H new ATOM 74 N GLU A 9 4.731 14.586 5.171 1.00 0.00 N ATOM 75 CA GLU A 9 3.726 13.537 5.324 1.00 0.00 C ATOM 76 C GLU A 9 3.405 12.904 3.973 1.00 0.00 C ATOM 77 O GLU A 9 3.138 11.705 3.882 1.00 0.00 O ATOM 78 CB GLU A 9 2.441 14.110 5.924 1.00 0.00 C ATOM 79 CG GLU A 9 1.584 12.969 6.479 1.00 0.00 C ATOM 80 CD GLU A 9 1.894 12.775 7.960 1.00 0.00 C ATOM 81 OE1 GLU A 9 1.643 13.692 8.724 1.00 0.00 O ATOM 82 OE2 GLU A 9 2.377 11.710 8.308 1.00 0.00 O ATOM 0 H GLU A 9 4.417 15.520 5.434 1.00 0.00 H new ATOM 0 HA GLU A 9 4.132 12.778 5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.681 14.818 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.886 14.660 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.526 13.196 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.785 12.049 5.931 1.00 0.00 H new ATOM 89 N GLU A 10 3.433 13.723 2.926 1.00 0.00 N ATOM 90 CA GLU A 10 3.142 13.236 1.581 1.00 0.00 C ATOM 91 C GLU A 10 4.246 12.298 1.103 1.00 0.00 C ATOM 92 O GLU A 10 3.986 11.297 0.437 1.00 0.00 O ATOM 93 CB GLU A 10 3.022 14.404 0.602 1.00 0.00 C ATOM 94 CG GLU A 10 2.327 13.931 -0.676 1.00 0.00 C ATOM 95 CD GLU A 10 1.847 15.138 -1.473 1.00 0.00 C ATOM 96 OE1 GLU A 10 0.745 15.596 -1.212 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.587 15.590 -2.332 1.00 0.00 O ATOM 0 H GLU A 10 3.652 14.718 2.981 1.00 0.00 H new ATOM 0 HA GLU A 10 2.196 12.695 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.456 15.217 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.011 14.798 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.014 13.336 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.483 13.288 -0.426 1.00 0.00 H new ATOM 104 N GLN A 11 5.485 12.636 1.452 1.00 0.00 N ATOM 105 CA GLN A 11 6.628 11.819 1.052 1.00 0.00 C ATOM 106 C GLN A 11 6.515 10.417 1.642 1.00 0.00 C ATOM 107 O GLN A 11 6.951 9.437 1.039 1.00 0.00 O ATOM 108 CB GLN A 11 7.935 12.457 1.530 1.00 0.00 C ATOM 109 CG GLN A 11 9.109 11.860 0.753 1.00 0.00 C ATOM 110 CD GLN A 11 10.390 12.600 1.119 1.00 0.00 C ATOM 111 OE1 GLN A 11 11.342 11.998 1.619 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.474 13.884 0.898 1.00 0.00 N ATOM 0 H GLN A 11 5.722 13.460 2.004 1.00 0.00 H new ATOM 0 HA GLN A 11 6.631 11.755 -0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.900 13.537 1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.067 12.284 2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.210 10.800 0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.926 11.936 -0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.686 14.383 0.484 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.327 14.388 1.139 1.00 0.00 H new ATOM 121 N LYS A 12 5.925 10.334 2.830 1.00 0.00 N ATOM 122 CA LYS A 12 5.757 9.047 3.500 1.00 0.00 C ATOM 123 C LYS A 12 4.629 8.251 2.853 1.00 0.00 C ATOM 124 O LYS A 12 4.718 7.034 2.699 1.00 0.00 O ATOM 125 CB LYS A 12 5.438 9.250 4.982 1.00 0.00 C ATOM 126 CG LYS A 12 6.741 9.343 5.778 1.00 0.00 C ATOM 127 CD LYS A 12 7.336 10.744 5.624 1.00 0.00 C ATOM 128 CE LYS A 12 8.768 10.752 6.160 1.00 0.00 C ATOM 129 NZ LYS A 12 9.712 10.415 5.058 1.00 0.00 N ATOM 0 H LYS A 12 5.558 11.134 3.346 1.00 0.00 H new ATOM 0 HA LYS A 12 6.692 8.495 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.852 10.159 5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.833 8.422 5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.552 9.130 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.450 8.595 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.327 11.041 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.730 11.470 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.008 11.732 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.868 10.032 6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.686 10.420 5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.487 9.471 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.623 11.118 4.297 1.00 0.00 H new ATOM 143 N LEU A 13 3.562 8.955 2.478 1.00 0.00 N ATOM 144 CA LEU A 13 2.413 8.307 1.850 1.00 0.00 C ATOM 145 C LEU A 13 2.826 7.618 0.552 1.00 0.00 C ATOM 146 O LEU A 13 2.388 6.506 0.255 1.00 0.00 O ATOM 147 CB LEU A 13 1.323 9.334 1.541 1.00 0.00 C ATOM 148 CG LEU A 13 0.672 9.797 2.845 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.167 11.231 2.682 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.504 8.877 3.181 1.00 0.00 C ATOM 0 H LEU A 13 3.470 9.964 2.597 1.00 0.00 H new ATOM 0 HA LEU A 13 2.027 7.563 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.751 10.186 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.572 8.896 0.883 1.00 0.00 H new ATOM 0 HG LEU A 13 1.405 9.760 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.297 11.561 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.004 11.886 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.567 11.269 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.969 9.206 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.237 8.915 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.144 7.855 3.297 1.00 0.00 H new ATOM 162 N ILE A 14 3.677 8.291 -0.216 1.00 0.00 N ATOM 163 CA ILE A 14 4.146 7.738 -1.484 1.00 0.00 C ATOM 164 C ILE A 14 5.077 6.553 -1.235 1.00 0.00 C ATOM 165 O ILE A 14 4.899 5.474 -1.803 1.00 0.00 O ATOM 166 CB ILE A 14 4.896 8.807 -2.287 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.981 10.016 -2.496 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.310 8.243 -3.651 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.784 11.162 -3.114 1.00 0.00 C ATOM 0 H ILE A 14 4.053 9.211 0.013 1.00 0.00 H new ATOM 0 HA ILE A 14 3.277 7.403 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 14 5.788 9.108 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.149 9.748 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.552 10.330 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.842 9.009 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.961 7.381 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.421 7.937 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.133 12.023 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.601 11.436 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.191 10.845 -4.074 1.00 0.00 H new ATOM 181 N SER A 15 6.078 6.769 -0.387 1.00 0.00 N ATOM 182 CA SER A 15 7.043 5.717 -0.076 1.00 0.00 C ATOM 183 C SER A 15 6.344 4.491 0.508 1.00 0.00 C ATOM 184 O SER A 15 6.621 3.357 0.117 1.00 0.00 O ATOM 185 CB SER A 15 8.080 6.223 0.926 1.00 0.00 C ATOM 186 OG SER A 15 8.867 5.131 1.381 1.00 0.00 O ATOM 0 H SER A 15 6.242 7.654 0.094 1.00 0.00 H new ATOM 0 HA SER A 15 7.538 5.437 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.716 6.975 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.583 6.704 1.769 1.00 0.00 H new ATOM 0 HG SER A 15 9.534 5.453 2.023 1.00 0.00 H new ATOM 192 N GLU A 16 5.435 4.731 1.450 1.00 0.00 N ATOM 193 CA GLU A 16 4.701 3.637 2.082 1.00 0.00 C ATOM 194 C GLU A 16 3.883 2.873 1.045 1.00 0.00 C ATOM 195 O GLU A 16 3.723 1.654 1.134 1.00 0.00 O ATOM 196 CB GLU A 16 3.761 4.175 3.165 1.00 0.00 C ATOM 197 CG GLU A 16 4.479 4.169 4.517 1.00 0.00 C ATOM 198 CD GLU A 16 5.635 5.163 4.487 1.00 0.00 C ATOM 199 OE1 GLU A 16 6.667 4.824 3.932 1.00 0.00 O ATOM 200 OE2 GLU A 16 5.471 6.249 5.019 1.00 0.00 O ATOM 0 H GLU A 16 5.191 5.661 1.790 1.00 0.00 H new ATOM 0 HA GLU A 16 5.428 2.964 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.443 5.187 2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.861 3.562 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.781 4.432 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.852 3.169 4.738 1.00 0.00 H new ATOM 207 N GLU A 17 3.367 3.602 0.061 1.00 0.00 N ATOM 208 CA GLU A 17 2.566 2.984 -0.992 1.00 0.00 C ATOM 209 C GLU A 17 3.441 2.098 -1.873 1.00 0.00 C ATOM 210 O GLU A 17 3.013 1.040 -2.336 1.00 0.00 O ATOM 211 CB GLU A 17 1.905 4.055 -1.862 1.00 0.00 C ATOM 212 CG GLU A 17 0.558 3.538 -2.373 1.00 0.00 C ATOM 213 CD GLU A 17 -0.046 4.556 -3.336 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.423 5.622 -2.879 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.122 4.253 -4.514 1.00 0.00 O ATOM 0 H GLU A 17 3.487 4.611 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 17 1.795 2.378 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.761 4.969 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.552 4.307 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.691 2.580 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.119 3.367 -1.536 1.00 0.00 H new ATOM 222 N ASP A 18 4.674 2.542 -2.097 1.00 0.00 N ATOM 223 CA ASP A 18 5.609 1.784 -2.924 1.00 0.00 C ATOM 224 C ASP A 18 5.910 0.433 -2.282 1.00 0.00 C ATOM 225 O ASP A 18 6.014 -0.585 -2.963 1.00 0.00 O ATOM 226 CB ASP A 18 6.918 2.557 -3.098 1.00 0.00 C ATOM 227 CG ASP A 18 7.702 1.972 -4.268 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.931 0.774 -4.263 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.062 2.731 -5.152 1.00 0.00 O ATOM 0 H ASP A 18 5.047 3.414 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 18 5.148 1.629 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.709 3.612 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.510 2.500 -2.185 1.00 0.00 H new ATOM 234 N LEU A 19 6.049 0.439 -0.958 1.00 0.00 N ATOM 235 CA LEU A 19 6.338 -0.791 -0.227 1.00 0.00 C ATOM 236 C LEU A 19 5.203 -1.795 -0.403 1.00 0.00 C ATOM 237 O LEU A 19 5.434 -2.986 -0.614 1.00 0.00 O ATOM 238 CB LEU A 19 6.516 -0.498 1.266 1.00 0.00 C ATOM 239 CG LEU A 19 7.959 -0.069 1.534 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.056 1.456 1.481 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.386 -0.558 2.921 1.00 0.00 C ATOM 0 H LEU A 19 5.967 1.272 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 19 7.261 -1.211 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.828 0.288 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.274 -1.384 1.853 1.00 0.00 H new ATOM 0 HG LEU A 19 8.613 -0.501 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.085 1.762 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.750 1.806 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.402 1.889 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.415 -0.253 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.731 -0.125 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.316 -1.645 2.961 1.00 0.00 H new ATOM 253 N LEU A 20 3.972 -1.298 -0.319 1.00 0.00 N ATOM 254 CA LEU A 20 2.801 -2.156 -0.472 1.00 0.00 C ATOM 255 C LEU A 20 2.702 -2.673 -1.903 1.00 0.00 C ATOM 256 O LEU A 20 2.230 -3.782 -2.147 1.00 0.00 O ATOM 257 CB LEU A 20 1.525 -1.386 -0.130 1.00 0.00 C ATOM 258 CG LEU A 20 1.222 -1.533 1.362 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.152 -0.518 1.768 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.711 -2.948 1.640 1.00 0.00 C ATOM 0 H LEU A 20 3.760 -0.315 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 20 2.910 -2.998 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.644 -0.333 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.690 -1.765 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 20 2.131 -1.353 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.064 -0.623 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.513 0.491 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.757 -0.698 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.495 -3.054 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.198 -3.126 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.472 -3.673 1.350 1.00 0.00 H new ATOM 272 N ARG A 21 3.155 -1.852 -2.849 1.00 0.00 N ATOM 273 CA ARG A 21 3.114 -2.233 -4.259 1.00 0.00 C ATOM 274 C ARG A 21 3.959 -3.480 -4.499 1.00 0.00 C ATOM 275 O ARG A 21 3.516 -4.433 -5.141 1.00 0.00 O ATOM 276 CB ARG A 21 3.644 -1.096 -5.135 1.00 0.00 C ATOM 277 CG ARG A 21 2.495 -0.156 -5.507 1.00 0.00 C ATOM 278 CD ARG A 21 3.007 1.285 -5.563 1.00 0.00 C ATOM 279 NE ARG A 21 4.168 1.387 -6.450 1.00 0.00 N ATOM 280 CZ ARG A 21 4.598 2.564 -6.929 1.00 0.00 C ATOM 281 NH1 ARG A 21 3.989 3.685 -6.625 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.640 2.594 -7.713 1.00 0.00 N ATOM 0 H ARG A 21 3.550 -0.929 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 21 2.077 -2.441 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.420 -0.545 -4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.102 -1.502 -6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.076 -0.441 -6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.692 -0.239 -4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.214 1.945 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.278 1.619 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 21 4.666 0.536 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.172 3.672 -6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.332 4.570 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.120 1.728 -7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.975 3.484 -8.082 1.00 0.00 H new ATOM 296 N LYS A 22 5.181 -3.462 -3.974 1.00 0.00 N ATOM 297 CA LYS A 22 6.085 -4.597 -4.134 1.00 0.00 C ATOM 298 C LYS A 22 5.687 -5.739 -3.199 1.00 0.00 C ATOM 299 O LYS A 22 5.917 -6.911 -3.497 1.00 0.00 O ATOM 300 CB LYS A 22 7.529 -4.185 -3.834 1.00 0.00 C ATOM 301 CG LYS A 22 7.614 -3.581 -2.429 1.00 0.00 C ATOM 302 CD LYS A 22 9.083 -3.478 -2.008 1.00 0.00 C ATOM 303 CE LYS A 22 9.616 -2.086 -2.349 1.00 0.00 C ATOM 304 NZ LYS A 22 11.105 -2.095 -2.288 1.00 0.00 N ATOM 0 H LYS A 22 5.565 -2.683 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 22 6.014 -4.935 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.187 -5.051 -3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.871 -3.460 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.151 -2.594 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.064 -4.201 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.179 -3.664 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.673 -4.240 -2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.284 -1.792 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.217 -1.351 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.468 -1.148 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.412 -2.358 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.476 -2.785 -2.972 1.00 0.00 H new ATOM 318 N ARG A 23 5.085 -5.386 -2.065 1.00 0.00 N ATOM 319 CA ARG A 23 4.659 -6.391 -1.094 1.00 0.00 C ATOM 320 C ARG A 23 3.637 -7.338 -1.718 1.00 0.00 C ATOM 321 O ARG A 23 3.846 -8.549 -1.771 1.00 0.00 O ATOM 322 CB ARG A 23 4.032 -5.719 0.131 1.00 0.00 C ATOM 323 CG ARG A 23 4.091 -6.672 1.325 1.00 0.00 C ATOM 324 CD ARG A 23 3.024 -6.274 2.348 1.00 0.00 C ATOM 325 NE ARG A 23 2.933 -7.275 3.414 1.00 0.00 N ATOM 326 CZ ARG A 23 3.818 -7.329 4.420 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.820 -6.486 4.491 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.682 -8.241 5.344 1.00 0.00 N ATOM 0 H ARG A 23 4.883 -4.423 -1.798 1.00 0.00 H new ATOM 0 HA ARG A 23 5.539 -6.957 -0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.563 -4.796 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.998 -5.448 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.928 -7.698 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.080 -6.638 1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.267 -5.301 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.058 -6.173 1.853 1.00 0.00 H new ATOM 0 HE ARG A 23 2.171 -7.953 3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.937 -5.772 3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.482 -6.545 5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.908 -8.904 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.350 -8.291 6.114 1.00 0.00 H new ATOM 342 N ARG A 24 2.530 -6.769 -2.188 1.00 0.00 N ATOM 343 CA ARG A 24 1.478 -7.573 -2.809 1.00 0.00 C ATOM 344 C ARG A 24 2.011 -8.290 -4.048 1.00 0.00 C ATOM 345 O ARG A 24 1.572 -9.392 -4.380 1.00 0.00 O ATOM 346 CB ARG A 24 0.293 -6.689 -3.212 1.00 0.00 C ATOM 347 CG ARG A 24 0.767 -5.581 -4.160 1.00 0.00 C ATOM 348 CD ARG A 24 -0.081 -4.320 -3.957 1.00 0.00 C ATOM 349 NE ARG A 24 -0.883 -4.038 -5.151 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.027 -4.686 -5.412 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.488 -5.612 -4.604 1.00 0.00 N ATOM 352 NH2 ARG A 24 -2.697 -4.393 -6.492 1.00 0.00 N ATOM 0 H ARG A 24 2.338 -5.768 -2.153 1.00 0.00 H new ATOM 0 HA ARG A 24 1.147 -8.312 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.473 -7.293 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.163 -6.250 -2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.817 -5.357 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.691 -5.918 -5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.736 -4.451 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.567 -3.471 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.560 -3.325 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.973 -5.852 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.361 -6.092 -4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.349 -3.676 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.569 -4.881 -6.699 1.00 0.00 H new ATOM 366 N GLU A 25 2.963 -7.653 -4.726 1.00 0.00 N ATOM 367 CA GLU A 25 3.551 -8.237 -5.929 1.00 0.00 C ATOM 368 C GLU A 25 4.229 -9.564 -5.604 1.00 0.00 C ATOM 369 O GLU A 25 4.213 -10.498 -6.405 1.00 0.00 O ATOM 370 CB GLU A 25 4.585 -7.285 -6.535 1.00 0.00 C ATOM 371 CG GLU A 25 3.889 -6.328 -7.506 1.00 0.00 C ATOM 372 CD GLU A 25 4.917 -5.371 -8.101 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.535 -4.646 -7.338 1.00 0.00 O ATOM 374 OE2 GLU A 25 5.072 -5.378 -9.311 1.00 0.00 O ATOM 0 H GLU A 25 3.341 -6.742 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 25 2.748 -8.407 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.083 -6.721 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.356 -7.852 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.399 -6.891 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.112 -5.767 -6.986 1.00 0.00 H new ATOM 381 N GLN A 26 4.826 -9.636 -4.418 1.00 0.00 N ATOM 382 CA GLN A 26 5.510 -10.855 -3.993 1.00 0.00 C ATOM 383 C GLN A 26 4.497 -11.907 -3.553 1.00 0.00 C ATOM 384 O GLN A 26 4.664 -13.098 -3.813 1.00 0.00 O ATOM 385 CB GLN A 26 6.459 -10.559 -2.830 1.00 0.00 C ATOM 386 CG GLN A 26 7.717 -9.870 -3.361 1.00 0.00 C ATOM 387 CD GLN A 26 8.309 -8.982 -2.271 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.367 -7.761 -2.419 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.755 -9.528 -1.173 1.00 0.00 N ATOM 0 H GLN A 26 4.851 -8.874 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 26 6.082 -11.233 -4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.965 -9.922 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.726 -11.485 -2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.448 -10.615 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.474 -9.272 -4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.707 -10.539 -1.050 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.152 -8.943 -0.437 1.00 0.00 H new ATOM 398 N LEU A 27 3.441 -11.452 -2.882 1.00 0.00 N ATOM 399 CA LEU A 27 2.402 -12.362 -2.409 1.00 0.00 C ATOM 400 C LEU A 27 1.708 -13.036 -3.588 1.00 0.00 C ATOM 401 O LEU A 27 1.385 -14.223 -3.541 1.00 0.00 O ATOM 402 CB LEU A 27 1.361 -11.603 -1.584 1.00 0.00 C ATOM 403 CG LEU A 27 2.036 -10.962 -0.371 1.00 0.00 C ATOM 404 CD1 LEU A 27 1.134 -9.864 0.196 1.00 0.00 C ATOM 405 CD2 LEU A 27 2.274 -12.029 0.701 1.00 0.00 C ATOM 0 H LEU A 27 3.283 -10.470 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 27 2.876 -13.120 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.886 -10.836 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.574 -12.283 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 27 2.989 -10.528 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.616 -9.408 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.962 -9.104 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.180 -10.297 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.755 -11.574 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.320 -12.462 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.917 -12.812 0.299 1.00 0.00 H new ATOM 417 N LYS A 28 1.482 -12.263 -4.647 1.00 0.00 N ATOM 418 CA LYS A 28 0.824 -12.792 -5.838 1.00 0.00 C ATOM 419 C LYS A 28 1.715 -13.822 -6.525 1.00 0.00 C ATOM 420 O LYS A 28 1.234 -14.813 -7.075 1.00 0.00 O ATOM 421 CB LYS A 28 0.515 -11.664 -6.825 1.00 0.00 C ATOM 422 CG LYS A 28 -0.643 -10.821 -6.289 1.00 0.00 C ATOM 423 CD LYS A 28 -0.522 -9.391 -6.821 1.00 0.00 C ATOM 424 CE LYS A 28 -1.913 -8.763 -6.920 1.00 0.00 C ATOM 425 NZ LYS A 28 -1.781 -7.306 -7.206 1.00 0.00 N ATOM 0 H LYS A 28 1.742 -11.278 -4.705 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.107 -13.266 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.397 -11.040 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.256 -12.079 -7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.595 -11.255 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.630 -10.817 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.110 -8.798 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.043 -9.395 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.488 -9.249 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.459 -8.914 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.694 -6.836 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.060 -6.893 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.497 -7.171 -8.197 1.00 0.00 H new ATOM 439 N HIS A 29 3.022 -13.576 -6.488 1.00 0.00 N ATOM 440 CA HIS A 29 3.978 -14.487 -7.110 1.00 0.00 C ATOM 441 C HIS A 29 3.913 -15.861 -6.449 1.00 0.00 C ATOM 442 O HIS A 29 4.125 -16.887 -7.093 1.00 0.00 O ATOM 443 CB HIS A 29 5.401 -13.939 -6.983 1.00 0.00 C ATOM 444 CG HIS A 29 5.642 -12.915 -8.058 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.241 -13.113 -9.370 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.240 -11.680 -8.029 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.601 -12.022 -10.071 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.214 -11.117 -9.303 1.00 0.00 N ATOM 0 H HIS A 29 3.440 -12.762 -6.038 1.00 0.00 H new ATOM 0 HA HIS A 29 3.718 -14.579 -8.165 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.543 -13.490 -6.000 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.124 -14.750 -7.070 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.666 -11.215 -7.152 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.417 -11.894 -11.127 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.583 -10.210 -9.588 1.00 0.00 H new ATOM 647 N LYS B 9 -4.505 15.367 -2.593 1.00 0.00 N ATOM 648 CA LYS B 9 -3.472 14.394 -2.940 1.00 0.00 C ATOM 649 C LYS B 9 -3.301 13.377 -1.815 1.00 0.00 C ATOM 650 O LYS B 9 -3.082 12.191 -2.060 1.00 0.00 O ATOM 651 CB LYS B 9 -2.135 15.096 -3.186 1.00 0.00 C ATOM 652 CG LYS B 9 -1.268 14.234 -4.105 1.00 0.00 C ATOM 653 CD LYS B 9 -1.524 14.625 -5.563 1.00 0.00 C ATOM 654 CE LYS B 9 -0.776 13.663 -6.489 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.939 14.108 -7.902 1.00 0.00 N ATOM 0 HA LYS B 9 -3.784 13.881 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.303 16.073 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.622 15.267 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.214 14.369 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.497 13.179 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -2.592 14.595 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -1.192 15.648 -5.740 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.281 13.635 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.162 12.651 -6.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.431 13.455 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -1.949 14.113 -8.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.551 15.067 -8.011 1.00 0.00 H new ATOM 669 N ASN B 10 -3.401 13.857 -0.580 1.00 0.00 N ATOM 670 CA ASN B 10 -3.255 12.982 0.581 1.00 0.00 C ATOM 671 C ASN B 10 -4.456 12.047 0.699 1.00 0.00 C ATOM 672 O ASN B 10 -4.332 10.909 1.148 1.00 0.00 O ATOM 673 CB ASN B 10 -3.140 13.808 1.863 1.00 0.00 C ATOM 674 CG ASN B 10 -1.761 14.457 1.928 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.759 13.779 2.153 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.650 15.743 1.741 1.00 0.00 N ATOM 0 H ASN B 10 -3.581 14.836 -0.357 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.348 12.393 0.446 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.915 14.574 1.886 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.295 13.171 2.734 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.733 16.187 1.781 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.481 16.305 1.554 1.00 0.00 H new ATOM 683 N ASP B 11 -5.619 12.544 0.288 1.00 0.00 N ATOM 684 CA ASP B 11 -6.841 11.745 0.350 1.00 0.00 C ATOM 685 C ASP B 11 -6.715 10.510 -0.536 1.00 0.00 C ATOM 686 O ASP B 11 -7.027 9.395 -0.117 1.00 0.00 O ATOM 687 CB ASP B 11 -8.044 12.571 -0.112 1.00 0.00 C ATOM 688 CG ASP B 11 -8.660 13.288 1.084 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.937 12.623 2.068 1.00 0.00 O ATOM 690 OD2 ASP B 11 -8.845 14.491 0.998 1.00 0.00 O ATOM 0 H ASP B 11 -5.742 13.484 -0.087 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.990 11.436 1.385 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.733 13.297 -0.863 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.784 11.923 -0.582 1.00 0.00 H new ATOM 695 N THR B 12 -6.254 10.723 -1.764 1.00 0.00 N ATOM 696 CA THR B 12 -6.088 9.620 -2.706 1.00 0.00 C ATOM 697 C THR B 12 -5.067 8.617 -2.179 1.00 0.00 C ATOM 698 O THR B 12 -5.172 7.416 -2.422 1.00 0.00 O ATOM 699 CB THR B 12 -5.618 10.142 -4.066 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.653 11.166 -3.870 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.811 10.705 -4.840 1.00 0.00 C ATOM 0 H THR B 12 -5.991 11.639 -2.128 1.00 0.00 H new ATOM 0 HA THR B 12 -7.054 9.129 -2.821 1.00 0.00 H new ATOM 0 HB THR B 12 -5.173 9.325 -4.634 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.262 11.080 -2.976 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.474 11.076 -5.808 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.551 9.919 -4.990 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.259 11.522 -4.274 1.00 0.00 H new ATOM 709 N HIS B 13 -4.075 9.128 -1.455 1.00 0.00 N ATOM 710 CA HIS B 13 -3.036 8.269 -0.895 1.00 0.00 C ATOM 711 C HIS B 13 -3.626 7.330 0.151 1.00 0.00 C ATOM 712 O HIS B 13 -3.349 6.132 0.160 1.00 0.00 O ATOM 713 CB HIS B 13 -1.936 9.111 -0.245 1.00 0.00 C ATOM 714 CG HIS B 13 -0.949 9.544 -1.294 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.194 8.636 -2.017 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.584 10.785 -1.752 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.582 9.338 -2.864 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.383 10.653 -2.744 1.00 0.00 N ATOM 0 H HIS B 13 -3.969 10.120 -1.244 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.610 7.683 -1.710 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.371 9.984 0.242 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.430 8.533 0.529 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.221 7.621 -1.925 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.986 11.722 -1.396 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.281 8.892 -3.556 1.00 0.00 H new ATOM 726 N GLN B 14 -4.447 7.892 1.033 1.00 0.00 N ATOM 727 CA GLN B 14 -5.080 7.102 2.087 1.00 0.00 C ATOM 728 C GLN B 14 -5.936 5.991 1.487 1.00 0.00 C ATOM 729 O GLN B 14 -6.075 4.913 2.066 1.00 0.00 O ATOM 730 CB GLN B 14 -5.964 7.992 2.964 1.00 0.00 C ATOM 731 CG GLN B 14 -5.083 8.875 3.849 1.00 0.00 C ATOM 732 CD GLN B 14 -4.329 8.005 4.849 1.00 0.00 C ATOM 733 OE1 GLN B 14 -3.277 7.451 4.531 1.00 0.00 O ATOM 734 NE2 GLN B 14 -4.810 7.849 6.052 1.00 0.00 N ATOM 0 H GLN B 14 -4.689 8.883 1.041 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.289 6.661 2.694 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.607 8.612 2.339 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.618 7.377 3.582 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.378 9.435 3.235 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.696 9.605 4.377 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.682 8.308 6.316 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.314 7.268 6.728 1.00 0.00 H new ATOM 743 N GLN B 15 -6.508 6.266 0.317 1.00 0.00 N ATOM 744 CA GLN B 15 -7.350 5.282 -0.356 1.00 0.00 C ATOM 745 C GLN B 15 -6.492 4.230 -1.050 1.00 0.00 C ATOM 746 O GLN B 15 -6.877 3.067 -1.155 1.00 0.00 O ATOM 747 CB GLN B 15 -8.241 5.963 -1.397 1.00 0.00 C ATOM 748 CG GLN B 15 -9.552 6.400 -0.737 1.00 0.00 C ATOM 749 CD GLN B 15 -9.361 7.759 -0.075 1.00 0.00 C ATOM 750 OE1 GLN B 15 -8.686 7.870 0.949 1.00 0.00 O ATOM 751 NE2 GLN B 15 -9.921 8.813 -0.604 1.00 0.00 N ATOM 0 H GLN B 15 -6.405 7.151 -0.179 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.973 4.802 0.398 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.729 6.827 -1.821 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.446 5.278 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -10.346 6.455 -1.482 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.861 5.663 0.004 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.480 8.722 -1.452 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -9.799 9.728 -0.169 1.00 0.00 H new ATOM 760 N ASP B 16 -5.324 4.652 -1.526 1.00 0.00 N ATOM 761 CA ASP B 16 -4.416 3.736 -2.211 1.00 0.00 C ATOM 762 C ASP B 16 -3.804 2.748 -1.224 1.00 0.00 C ATOM 763 O ASP B 16 -3.777 1.542 -1.464 1.00 0.00 O ATOM 764 CB ASP B 16 -3.291 4.512 -2.900 1.00 0.00 C ATOM 765 CG ASP B 16 -2.859 3.772 -4.161 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.210 2.746 -4.031 1.00 0.00 O ATOM 767 OD2 ASP B 16 -3.182 4.242 -5.239 1.00 0.00 O ATOM 0 H ASP B 16 -4.986 5.612 -1.452 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.993 3.191 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.630 5.516 -3.153 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.444 4.623 -2.223 1.00 0.00 H new ATOM 772 N ILE B 17 -3.313 3.275 -0.105 1.00 0.00 N ATOM 773 CA ILE B 17 -2.699 2.437 0.923 1.00 0.00 C ATOM 774 C ILE B 17 -3.711 1.418 1.454 1.00 0.00 C ATOM 775 O ILE B 17 -3.595 0.217 1.212 1.00 0.00 O ATOM 776 CB ILE B 17 -2.170 3.325 2.080 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.780 3.849 1.707 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.070 2.542 3.405 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.913 5.203 1.009 1.00 0.00 C ATOM 0 H ILE B 17 -3.328 4.271 0.113 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.862 1.894 0.483 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.872 4.146 2.225 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.166 3.949 2.602 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.276 3.139 1.052 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.696 3.200 4.189 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.056 2.170 3.683 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.387 1.701 3.280 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.077 5.575 0.744 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.512 5.089 0.105 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.399 5.912 1.679 1.00 0.00 H new ATOM 791 N ASP B 18 -4.679 1.922 2.216 1.00 0.00 N ATOM 792 CA ASP B 18 -5.699 1.073 2.833 1.00 0.00 C ATOM 793 C ASP B 18 -6.253 0.031 1.853 1.00 0.00 C ATOM 794 O ASP B 18 -6.662 -1.058 2.256 1.00 0.00 O ATOM 795 CB ASP B 18 -6.853 1.932 3.353 1.00 0.00 C ATOM 796 CG ASP B 18 -6.589 2.320 4.804 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.467 2.696 5.102 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.513 2.238 5.597 1.00 0.00 O ATOM 0 H ASP B 18 -4.780 2.916 2.422 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.220 0.544 3.657 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.958 2.827 2.740 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.791 1.382 3.278 1.00 0.00 H new ATOM 803 N ASP B 19 -6.259 0.376 0.569 1.00 0.00 N ATOM 804 CA ASP B 19 -6.762 -0.543 -0.449 1.00 0.00 C ATOM 805 C ASP B 19 -5.732 -1.633 -0.734 1.00 0.00 C ATOM 806 O ASP B 19 -6.077 -2.798 -0.934 1.00 0.00 O ATOM 807 CB ASP B 19 -7.073 0.208 -1.747 1.00 0.00 C ATOM 808 CG ASP B 19 -7.758 -0.733 -2.735 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.815 -1.241 -2.403 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.213 -0.931 -3.809 1.00 0.00 O ATOM 0 H ASP B 19 -5.927 1.272 0.211 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.677 -0.998 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.716 1.063 -1.539 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.153 0.600 -2.181 1.00 0.00 H new ATOM 815 N LEU B 20 -4.462 -1.240 -0.749 1.00 0.00 N ATOM 816 CA LEU B 20 -3.383 -2.190 -1.009 1.00 0.00 C ATOM 817 C LEU B 20 -3.221 -3.144 0.172 1.00 0.00 C ATOM 818 O LEU B 20 -2.915 -4.324 -0.002 1.00 0.00 O ATOM 819 CB LEU B 20 -2.062 -1.453 -1.237 1.00 0.00 C ATOM 820 CG LEU B 20 -2.142 -0.649 -2.534 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.137 0.504 -2.483 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.813 -1.560 -3.718 1.00 0.00 C ATOM 0 H LEU B 20 -4.156 -0.281 -0.586 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.641 -2.756 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.855 -0.789 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.240 -2.167 -1.290 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.149 -0.248 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.194 1.078 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.370 1.153 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.130 0.104 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.870 -0.988 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.806 -1.961 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.528 -2.382 -3.755 1.00 0.00 H new ATOM 834 N LYS B 21 -3.430 -2.618 1.375 1.00 0.00 N ATOM 835 CA LYS B 21 -3.307 -3.428 2.583 1.00 0.00 C ATOM 836 C LYS B 21 -4.480 -4.397 2.698 1.00 0.00 C ATOM 837 O LYS B 21 -4.328 -5.526 3.165 1.00 0.00 O ATOM 838 CB LYS B 21 -3.273 -2.537 3.826 1.00 0.00 C ATOM 839 CG LYS B 21 -1.842 -2.051 4.068 1.00 0.00 C ATOM 840 CD LYS B 21 -1.134 -3.009 5.030 1.00 0.00 C ATOM 841 CE LYS B 21 -0.018 -2.263 5.763 1.00 0.00 C ATOM 842 NZ LYS B 21 0.492 -3.107 6.881 1.00 0.00 N ATOM 0 H LYS B 21 -3.683 -1.644 1.539 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.376 -3.991 2.515 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.940 -1.685 3.694 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.632 -3.091 4.693 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.299 -2.000 3.124 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.854 -1.044 4.484 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.848 -3.414 5.748 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.721 -3.854 4.480 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.792 -2.028 5.072 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.392 -1.315 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.251 -2.601 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.283 -3.310 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.864 -4.000 6.500 1.00 0.00 H new ATOM 856 N ARG B 22 -5.653 -3.940 2.267 1.00 0.00 N ATOM 857 CA ARG B 22 -6.852 -4.772 2.325 1.00 0.00 C ATOM 858 C ARG B 22 -6.675 -6.021 1.466 1.00 0.00 C ATOM 859 O ARG B 22 -7.118 -7.110 1.829 1.00 0.00 O ATOM 860 CB ARG B 22 -8.070 -3.993 1.827 1.00 0.00 C ATOM 861 CG ARG B 22 -9.349 -4.660 2.340 1.00 0.00 C ATOM 862 CD ARG B 22 -10.524 -4.272 1.441 1.00 0.00 C ATOM 863 NE ARG B 22 -11.600 -5.262 1.540 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.850 -4.997 1.140 1.00 0.00 C ATOM 865 NH1 ARG B 22 -13.172 -3.829 0.636 1.00 0.00 N ATOM 866 NH2 ARG B 22 -13.768 -5.918 1.253 1.00 0.00 N ATOM 0 H ARG B 22 -5.799 -3.009 1.878 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.009 -5.064 3.363 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.021 -2.961 2.174 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.075 -3.963 0.737 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.228 -5.743 2.350 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.546 -4.352 3.367 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.899 -3.290 1.728 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.188 -4.195 0.407 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.390 -6.182 1.926 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.464 -3.101 0.543 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -14.131 -3.649 0.338 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.530 -6.830 1.643 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -14.723 -5.726 0.951 1.00 0.00 H new ATOM 880 N GLN B 23 -6.021 -5.849 0.321 1.00 0.00 N ATOM 881 CA GLN B 23 -5.789 -6.967 -0.588 1.00 0.00 C ATOM 882 C GLN B 23 -4.773 -7.937 0.011 1.00 0.00 C ATOM 883 O GLN B 23 -4.939 -9.155 -0.059 1.00 0.00 O ATOM 884 CB GLN B 23 -5.263 -6.464 -1.934 1.00 0.00 C ATOM 885 CG GLN B 23 -6.419 -5.887 -2.752 1.00 0.00 C ATOM 886 CD GLN B 23 -7.262 -7.025 -3.317 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.483 -7.044 -3.149 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.681 -7.983 -3.987 1.00 0.00 N ATOM 0 H GLN B 23 -5.646 -4.956 0.003 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.739 -7.480 -0.739 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.500 -5.702 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.790 -7.281 -2.479 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.034 -5.241 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.032 -5.270 -3.563 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.671 -7.968 -4.126 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.237 -8.747 -4.371 1.00 0.00 H new ATOM 897 N ASN B 24 -3.718 -7.380 0.599 1.00 0.00 N ATOM 898 CA ASN B 24 -2.674 -8.200 1.208 1.00 0.00 C ATOM 899 C ASN B 24 -3.197 -8.880 2.471 1.00 0.00 C ATOM 900 O ASN B 24 -2.779 -9.986 2.815 1.00 0.00 O ATOM 901 CB ASN B 24 -1.459 -7.343 1.567 1.00 0.00 C ATOM 902 CG ASN B 24 -0.720 -6.954 0.294 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.799 -7.654 -0.716 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.001 -5.866 0.278 1.00 0.00 N ATOM 0 H ASN B 24 -3.563 -6.374 0.667 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.379 -8.959 0.484 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.777 -6.449 2.104 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.795 -7.895 2.232 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.498 -5.596 -0.571 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.067 -5.286 1.114 1.00 0.00 H new ATOM 911 N ALA B 25 -4.114 -8.206 3.158 1.00 0.00 N ATOM 912 CA ALA B 25 -4.689 -8.752 4.384 1.00 0.00 C ATOM 913 C ALA B 25 -5.420 -10.061 4.096 1.00 0.00 C ATOM 914 O ALA B 25 -5.221 -11.064 4.781 1.00 0.00 O ATOM 915 CB ALA B 25 -5.675 -7.759 5.002 1.00 0.00 C ATOM 0 H ALA B 25 -4.473 -7.289 2.891 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.873 -8.937 5.082 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -6.094 -8.183 5.915 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.156 -6.830 5.238 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.479 -7.556 4.294 1.00 0.00 H new ATOM 921 N LEU B 26 -6.269 -10.039 3.073 1.00 0.00 N ATOM 922 CA LEU B 26 -7.028 -11.229 2.698 1.00 0.00 C ATOM 923 C LEU B 26 -6.154 -12.186 1.894 1.00 0.00 C ATOM 924 O LEU B 26 -6.276 -13.406 2.008 1.00 0.00 O ATOM 925 CB LEU B 26 -8.249 -10.844 1.861 1.00 0.00 C ATOM 926 CG LEU B 26 -9.135 -9.888 2.660 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.878 -8.957 1.701 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.149 -10.695 3.475 1.00 0.00 C ATOM 0 H LEU B 26 -6.448 -9.219 2.493 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.358 -11.721 3.613 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.931 -10.371 0.932 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.812 -11.736 1.588 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.515 -9.295 3.333 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.509 -8.276 2.271 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.157 -8.382 1.120 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.498 -9.548 1.027 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.781 -10.015 4.045 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.768 -11.287 2.801 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.620 -11.358 4.159 1.00 0.00 H new ATOM 940 N LEU B 27 -5.270 -11.620 1.079 1.00 0.00 N ATOM 941 CA LEU B 27 -4.377 -12.431 0.257 1.00 0.00 C ATOM 942 C LEU B 27 -3.462 -13.275 1.139 1.00 0.00 C ATOM 943 O LEU B 27 -3.420 -14.499 1.022 1.00 0.00 O ATOM 944 CB LEU B 27 -3.518 -11.541 -0.643 1.00 0.00 C ATOM 945 CG LEU B 27 -4.326 -11.128 -1.874 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.626 -9.963 -2.576 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.429 -12.314 -2.836 1.00 0.00 C ATOM 0 H LEU B 27 -5.152 -10.613 0.970 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.992 -13.085 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.193 -10.657 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.618 -12.075 -0.948 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.325 -10.820 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.201 -9.668 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.550 -9.118 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.627 -10.271 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.005 -12.021 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.429 -12.621 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.926 -13.145 -2.337 1.00 0.00 H new ATOM 959 N GLU B 28 -2.732 -12.605 2.028 1.00 0.00 N ATOM 960 CA GLU B 28 -1.814 -13.295 2.936 1.00 0.00 C ATOM 961 C GLU B 28 -2.560 -14.340 3.765 1.00 0.00 C ATOM 962 O GLU B 28 -2.091 -15.465 3.941 1.00 0.00 O ATOM 963 CB GLU B 28 -1.146 -12.289 3.878 1.00 0.00 C ATOM 964 CG GLU B 28 -0.086 -12.998 4.727 1.00 0.00 C ATOM 965 CD GLU B 28 1.094 -12.062 4.960 1.00 0.00 C ATOM 966 OE1 GLU B 28 0.873 -10.976 5.471 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.202 -12.444 4.625 1.00 0.00 O ATOM 0 H GLU B 28 -2.756 -11.591 2.140 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.054 -13.793 2.334 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.686 -11.487 3.301 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.894 -11.829 4.524 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.515 -13.303 5.682 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.250 -13.905 4.224 1.00 0.00 H new ATOM 974 N GLN B 29 -3.728 -13.953 4.272 1.00 0.00 N ATOM 975 CA GLN B 29 -4.544 -14.858 5.086 1.00 0.00 C ATOM 976 C GLN B 29 -4.828 -16.157 4.333 1.00 0.00 C ATOM 977 O GLN B 29 -4.959 -17.224 4.935 1.00 0.00 O ATOM 978 CB GLN B 29 -5.873 -14.195 5.452 1.00 0.00 C ATOM 979 CG GLN B 29 -6.369 -14.750 6.788 1.00 0.00 C ATOM 980 CD GLN B 29 -7.138 -16.046 6.548 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.198 -16.039 5.922 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.663 -17.169 7.013 1.00 0.00 N ATOM 0 H GLN B 29 -4.131 -13.026 4.136 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.985 -15.084 5.994 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.746 -13.115 5.520 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.611 -14.381 4.672 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.525 -14.933 7.453 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -7.011 -14.020 7.281 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -5.785 -17.175 7.532 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -7.170 -18.040 6.858 1.00 0.00 H new ATOM 991 N GLN B 30 -4.916 -16.054 3.010 1.00 0.00 N ATOM 992 CA GLN B 30 -5.175 -17.228 2.181 1.00 0.00 C ATOM 993 C GLN B 30 -3.866 -17.933 1.844 1.00 0.00 C ATOM 994 O GLN B 30 -3.811 -19.157 1.737 1.00 0.00 O ATOM 995 CB GLN B 30 -5.873 -16.821 0.880 1.00 0.00 C ATOM 996 CG GLN B 30 -7.318 -16.414 1.181 1.00 0.00 C ATOM 997 CD GLN B 30 -8.184 -16.668 -0.047 1.00 0.00 C ATOM 998 OE1 GLN B 30 -7.937 -16.107 -1.115 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.197 -17.486 0.041 1.00 0.00 N ATOM 0 H GLN B 30 -4.813 -15.181 2.493 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.821 -17.904 2.741 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -5.340 -15.993 0.413 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.857 -17.650 0.172 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.698 -16.982 2.030 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.360 -15.360 1.457 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -9.402 -17.951 0.926 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -9.784 -17.661 -0.775 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.810 -17.139 1.682 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.496 -17.687 1.362 1.00 0.00 C ATOM 1010 C VAL B 31 -0.957 -18.491 2.543 1.00 0.00 C ATOM 1011 O VAL B 31 -0.249 -19.482 2.368 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.518 -16.554 1.027 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.829 -17.141 0.590 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.093 -15.698 -0.111 1.00 0.00 C ATOM 0 H VAL B 31 -2.838 -16.123 1.766 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.597 -18.343 0.497 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.372 -15.935 1.912 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.519 -16.331 0.353 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.242 -17.745 1.398 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.685 -17.764 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.397 -14.893 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.243 -16.320 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.047 -15.273 0.200 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.302 -18.050 3.750 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.850 -18.734 4.959 1.00 0.00 C ATOM 1026 C ARG B 32 -1.384 -20.163 4.994 1.00 0.00 C ATOM 1027 O ARG B 32 -0.732 -21.072 5.509 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.331 -17.990 6.206 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.616 -18.547 7.440 1.00 0.00 C ATOM 1030 CD ARG B 32 -0.795 -17.581 8.612 1.00 0.00 C ATOM 1031 NE ARG B 32 -0.140 -18.102 9.815 1.00 0.00 N ATOM 1032 CZ ARG B 32 -0.366 -17.582 11.030 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -1.189 -16.575 11.198 1.00 0.00 N ATOM 1034 NH2 ARG B 32 0.246 -18.087 12.066 1.00 0.00 N ATOM 0 H ARG B 32 -1.887 -17.231 3.917 1.00 0.00 H new ATOM 0 HA ARG B 32 0.240 -18.754 4.947 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.130 -16.923 6.106 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.410 -18.102 6.316 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.020 -19.526 7.697 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.444 -18.686 7.228 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -0.376 -16.608 8.356 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -1.857 -17.429 8.806 1.00 0.00 H new ATOM 0 HE ARG B 32 0.508 -18.885 9.725 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -1.672 -16.172 10.395 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -1.346 -16.195 12.131 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.889 -18.870 11.947 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.081 -17.699 12.995 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.579 -20.349 4.441 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.197 -21.672 4.413 1.00 0.00 C ATOM 1050 C ALA B 33 -2.484 -22.573 3.409 1.00 0.00 C ATOM 1051 O ALA B 33 -2.079 -23.689 3.730 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.673 -21.566 4.028 1.00 0.00 C ATOM 0 H ALA B 33 -3.134 -19.610 4.010 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.113 -22.103 5.411 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.117 -22.561 4.012 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.196 -20.947 4.757 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -4.760 -21.114 3.040 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.334 -22.071 2.186 1.00 0.00 N ATOM 1059 CA LEU B 34 -1.668 -22.835 1.135 1.00 0.00 C ATOM 1060 C LEU B 34 -0.175 -22.953 1.431 1.00 0.00 C ATOM 1061 O LEU B 34 0.452 -22.007 1.903 1.00 0.00 O ATOM 1062 CB LEU B 34 -1.854 -22.153 -0.227 1.00 0.00 C ATOM 1063 CG LEU B 34 -3.244 -22.468 -0.805 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -3.393 -23.977 -1.015 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.332 -21.976 0.157 1.00 0.00 C ATOM 0 H LEU B 34 -2.661 -21.148 1.900 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.115 -23.829 1.106 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -1.735 -21.075 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.082 -22.492 -0.918 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.351 -21.959 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.380 -24.192 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.628 -24.325 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.277 -24.490 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.314 -22.202 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.221 -22.477 1.119 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.236 -20.899 0.295 1.00 0.00 H new