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 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 81:sc= 0.625 USER MOD Single : A 22 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.29) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -2.1 X(o=-2.1,f=-2) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -2.2 K(o=-2.2,f=-5.7!) USER MOD Single : B 12 THR OG1 : rot 25:sc= 0.809 USER MOD Single : B 13 HIS : no HE2:sc= -3.89 X(o=-3.9,f=-3.8!) USER MOD Single : B 14 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.61) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -1.02 K(o=-1,f=-10!) USER MOD Single : B 24 ASN : amide:sc= -3.72! C(o=-3.7!,f=-14!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : B 30 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 5.254 18.561 2.130 1.00 0.00 N ATOM 48 CA GLN A 7 6.165 17.972 1.151 1.00 0.00 C ATOM 49 C GLN A 7 6.777 16.687 1.700 1.00 0.00 C ATOM 50 O GLN A 7 6.937 15.700 0.979 1.00 0.00 O ATOM 51 CB GLN A 7 7.287 18.952 0.804 1.00 0.00 C ATOM 52 CG GLN A 7 6.789 19.949 -0.244 1.00 0.00 C ATOM 53 CD GLN A 7 7.981 20.539 -0.990 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.656 21.435 -0.484 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.284 20.084 -2.175 1.00 0.00 N ATOM 0 HA GLN A 7 5.592 17.746 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.611 19.482 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.153 18.410 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.118 19.452 -0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.218 20.743 0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.725 19.341 -2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.080 20.471 -2.682 1.00 0.00 H new ATOM 64 N ALA A 8 7.121 16.710 2.984 1.00 0.00 N ATOM 65 CA ALA A 8 7.719 15.542 3.625 1.00 0.00 C ATOM 66 C ALA A 8 6.658 14.479 3.891 1.00 0.00 C ATOM 67 O ALA A 8 6.923 13.280 3.802 1.00 0.00 O ATOM 68 CB ALA A 8 8.374 15.933 4.950 1.00 0.00 C ATOM 0 H ALA A 8 6.998 17.516 3.597 1.00 0.00 H new ATOM 0 HA ALA A 8 8.476 15.141 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.814 15.050 5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.153 16.673 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.622 16.356 5.617 1.00 0.00 H new ATOM 74 N GLU A 9 5.452 14.932 4.218 1.00 0.00 N ATOM 75 CA GLU A 9 4.352 14.012 4.497 1.00 0.00 C ATOM 76 C GLU A 9 3.826 13.400 3.201 1.00 0.00 C ATOM 77 O GLU A 9 3.371 12.257 3.179 1.00 0.00 O ATOM 78 CB GLU A 9 3.209 14.743 5.202 1.00 0.00 C ATOM 79 CG GLU A 9 2.230 13.719 5.782 1.00 0.00 C ATOM 80 CD GLU A 9 0.864 14.372 5.976 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.499 15.191 5.148 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.205 14.044 6.948 1.00 0.00 O ATOM 0 H GLU A 9 5.211 15.920 4.296 1.00 0.00 H new ATOM 0 HA GLU A 9 4.731 13.221 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.603 15.376 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.693 15.398 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.144 12.863 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.603 13.342 6.734 1.00 0.00 H new ATOM 89 N GLU A 10 3.895 14.175 2.122 1.00 0.00 N ATOM 90 CA GLU A 10 3.422 13.703 0.825 1.00 0.00 C ATOM 91 C GLU A 10 4.311 12.576 0.309 1.00 0.00 C ATOM 92 O GLU A 10 3.825 11.540 -0.145 1.00 0.00 O ATOM 93 CB GLU A 10 3.422 14.843 -0.194 1.00 0.00 C ATOM 94 CG GLU A 10 2.555 14.459 -1.394 1.00 0.00 C ATOM 95 CD GLU A 10 2.530 15.610 -2.394 1.00 0.00 C ATOM 96 OE1 GLU A 10 3.445 15.691 -3.196 1.00 0.00 O ATOM 97 OE2 GLU A 10 1.597 16.393 -2.343 1.00 0.00 O ATOM 0 H GLU A 10 4.270 15.124 2.119 1.00 0.00 H new ATOM 0 HA GLU A 10 2.405 13.333 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.041 15.755 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.441 15.052 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.949 13.560 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.542 14.227 -1.065 1.00 0.00 H new ATOM 104 N GLN A 11 5.622 12.790 0.384 1.00 0.00 N ATOM 105 CA GLN A 11 6.576 11.787 -0.079 1.00 0.00 C ATOM 106 C GLN A 11 6.452 10.504 0.738 1.00 0.00 C ATOM 107 O GLN A 11 6.709 9.407 0.241 1.00 0.00 O ATOM 108 CB GLN A 11 8.009 12.315 0.033 1.00 0.00 C ATOM 109 CG GLN A 11 8.279 12.767 1.471 1.00 0.00 C ATOM 110 CD GLN A 11 9.770 13.035 1.647 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.349 13.853 0.933 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.431 12.387 2.567 1.00 0.00 N ATOM 0 H GLN A 11 6.045 13.640 0.757 1.00 0.00 H new ATOM 0 HA GLN A 11 6.349 11.571 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.717 11.538 -0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.155 13.148 -0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.708 13.668 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.951 12.000 2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.950 11.709 3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.428 12.558 2.695 1.00 0.00 H new ATOM 121 N LYS A 12 6.057 10.651 2.000 1.00 0.00 N ATOM 122 CA LYS A 12 5.905 9.496 2.881 1.00 0.00 C ATOM 123 C LYS A 12 4.711 8.648 2.456 1.00 0.00 C ATOM 124 O LYS A 12 4.788 7.421 2.406 1.00 0.00 O ATOM 125 CB LYS A 12 5.701 9.950 4.329 1.00 0.00 C ATOM 126 CG LYS A 12 7.054 10.302 4.950 1.00 0.00 C ATOM 127 CD LYS A 12 6.838 10.892 6.344 1.00 0.00 C ATOM 128 CE LYS A 12 6.915 9.775 7.387 1.00 0.00 C ATOM 129 NZ LYS A 12 8.339 9.521 7.739 1.00 0.00 N ATOM 0 H LYS A 12 5.838 11.549 2.432 1.00 0.00 H new ATOM 0 HA LYS A 12 6.815 8.901 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.039 10.815 4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.220 9.159 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.680 9.412 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.581 11.017 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.593 11.650 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.868 11.386 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.354 10.056 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.458 8.866 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.391 8.762 8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.862 9.235 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.760 10.388 8.129 1.00 0.00 H new ATOM 143 N LEU A 13 3.604 9.320 2.152 1.00 0.00 N ATOM 144 CA LEU A 13 2.391 8.619 1.735 1.00 0.00 C ATOM 145 C LEU A 13 2.642 7.821 0.457 1.00 0.00 C ATOM 146 O LEU A 13 2.123 6.719 0.286 1.00 0.00 O ATOM 147 CB LEU A 13 1.259 9.617 1.482 1.00 0.00 C ATOM 148 CG LEU A 13 0.539 9.916 2.798 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.330 11.164 2.634 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.346 8.726 3.177 1.00 0.00 C ATOM 0 H LEU A 13 3.520 10.336 2.185 1.00 0.00 H new ATOM 0 HA LEU A 13 2.106 7.937 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.660 10.537 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.556 9.210 0.755 1.00 0.00 H new ATOM 0 HG LEU A 13 1.276 10.087 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.843 11.376 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.299 12.012 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.066 10.994 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.859 8.938 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.082 8.555 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.272 7.836 3.295 1.00 0.00 H new ATOM 162 N ILE A 14 3.444 8.392 -0.437 1.00 0.00 N ATOM 163 CA ILE A 14 3.758 7.726 -1.697 1.00 0.00 C ATOM 164 C ILE A 14 4.602 6.481 -1.442 1.00 0.00 C ATOM 165 O ILE A 14 4.248 5.376 -1.856 1.00 0.00 O ATOM 166 CB ILE A 14 4.527 8.671 -2.628 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.716 9.955 -2.828 1.00 0.00 C ATOM 168 CG2 ILE A 14 4.751 7.997 -3.985 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.642 11.075 -3.306 1.00 0.00 C ATOM 0 H ILE A 14 3.884 9.304 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 14 2.819 7.439 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 14 5.492 8.909 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.924 9.787 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.233 10.242 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.298 8.674 -4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.327 7.082 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.788 7.755 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.065 11.989 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.418 11.249 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.104 10.787 -4.250 1.00 0.00 H new ATOM 181 N SER A 15 5.726 6.672 -0.756 1.00 0.00 N ATOM 182 CA SER A 15 6.623 5.558 -0.453 1.00 0.00 C ATOM 183 C SER A 15 5.900 4.493 0.367 1.00 0.00 C ATOM 184 O SER A 15 6.196 3.302 0.261 1.00 0.00 O ATOM 185 CB SER A 15 7.839 6.052 0.331 1.00 0.00 C ATOM 186 OG SER A 15 8.448 7.125 -0.373 1.00 0.00 O ATOM 0 H SER A 15 6.036 7.577 -0.402 1.00 0.00 H new ATOM 0 HA SER A 15 6.950 5.124 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.536 6.380 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.553 5.240 0.467 1.00 0.00 H new ATOM 0 HG SER A 15 7.959 7.955 -0.191 1.00 0.00 H new ATOM 192 N GLU A 16 4.949 4.933 1.186 1.00 0.00 N ATOM 193 CA GLU A 16 4.187 4.006 2.020 1.00 0.00 C ATOM 194 C GLU A 16 3.406 3.027 1.150 1.00 0.00 C ATOM 195 O GLU A 16 3.580 1.812 1.247 1.00 0.00 O ATOM 196 CB GLU A 16 3.208 4.771 2.913 1.00 0.00 C ATOM 197 CG GLU A 16 3.913 5.183 4.208 1.00 0.00 C ATOM 198 CD GLU A 16 3.863 4.030 5.203 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.023 2.898 4.778 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.668 4.297 6.379 1.00 0.00 O ATOM 0 H GLU A 16 4.689 5.914 1.291 1.00 0.00 H new ATOM 0 HA GLU A 16 4.892 3.456 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.837 5.654 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.343 4.148 3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.948 5.454 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.432 6.064 4.632 1.00 0.00 H new ATOM 207 N GLU A 17 2.543 3.571 0.297 1.00 0.00 N ATOM 208 CA GLU A 17 1.735 2.739 -0.591 1.00 0.00 C ATOM 209 C GLU A 17 2.631 1.930 -1.526 1.00 0.00 C ATOM 210 O GLU A 17 2.297 0.810 -1.912 1.00 0.00 O ATOM 211 CB GLU A 17 0.785 3.603 -1.425 1.00 0.00 C ATOM 212 CG GLU A 17 1.585 4.655 -2.199 1.00 0.00 C ATOM 213 CD GLU A 17 0.659 5.396 -3.156 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.070 6.259 -2.694 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.692 5.092 -4.337 1.00 0.00 O ATOM 0 H GLU A 17 2.385 4.574 0.201 1.00 0.00 H new ATOM 0 HA GLU A 17 1.150 2.059 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.224 2.977 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.058 4.091 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.047 5.358 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.392 4.177 -2.754 1.00 0.00 H new ATOM 222 N ASP A 18 3.771 2.512 -1.885 1.00 0.00 N ATOM 223 CA ASP A 18 4.711 1.838 -2.777 1.00 0.00 C ATOM 224 C ASP A 18 5.227 0.555 -2.134 1.00 0.00 C ATOM 225 O ASP A 18 5.350 -0.480 -2.790 1.00 0.00 O ATOM 226 CB ASP A 18 5.899 2.751 -3.093 1.00 0.00 C ATOM 227 CG ASP A 18 6.420 2.443 -4.493 1.00 0.00 C ATOM 228 OD1 ASP A 18 5.604 2.184 -5.362 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.626 2.470 -4.674 1.00 0.00 O ATOM 0 H ASP A 18 4.065 3.439 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 18 4.185 1.596 -3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.595 3.796 -3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.690 2.603 -2.358 1.00 0.00 H new ATOM 234 N LEU A 19 5.527 0.634 -0.840 1.00 0.00 N ATOM 235 CA LEU A 19 6.029 -0.528 -0.112 1.00 0.00 C ATOM 236 C LEU A 19 4.991 -1.645 -0.115 1.00 0.00 C ATOM 237 O LEU A 19 5.325 -2.825 -0.228 1.00 0.00 O ATOM 238 CB LEU A 19 6.355 -0.155 1.335 1.00 0.00 C ATOM 239 CG LEU A 19 7.401 -1.121 1.890 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.248 -0.408 2.945 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.699 -2.322 2.527 1.00 0.00 C ATOM 0 H LEU A 19 5.433 1.481 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 19 6.936 -0.871 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.729 0.868 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.451 -0.193 1.943 1.00 0.00 H new ATOM 0 HG LEU A 19 8.044 -1.463 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.994 -1.098 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.749 0.447 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.606 -0.065 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.445 -3.011 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.055 -1.979 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.096 -2.832 1.775 1.00 0.00 H new ATOM 253 N LEU A 20 3.725 -1.257 0.010 1.00 0.00 N ATOM 254 CA LEU A 20 2.638 -2.231 0.020 1.00 0.00 C ATOM 255 C LEU A 20 2.577 -2.973 -1.312 1.00 0.00 C ATOM 256 O LEU A 20 2.221 -4.150 -1.368 1.00 0.00 O ATOM 257 CB LEU A 20 1.298 -1.535 0.267 1.00 0.00 C ATOM 258 CG LEU A 20 1.023 -1.474 1.769 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.060 -0.323 2.065 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.397 -2.793 2.226 1.00 0.00 C ATOM 0 H LEU A 20 3.428 -0.286 0.105 1.00 0.00 H new ATOM 0 HA LEU A 20 2.829 -2.942 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.317 -0.528 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.497 -2.075 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 20 1.959 -1.311 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.136 -0.279 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.505 0.617 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.876 -0.485 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.200 -2.751 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.539 -2.956 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.083 -3.614 2.015 1.00 0.00 H new ATOM 272 N ARG A 21 2.928 -2.269 -2.384 1.00 0.00 N ATOM 273 CA ARG A 21 2.911 -2.868 -3.716 1.00 0.00 C ATOM 274 C ARG A 21 3.956 -3.975 -3.815 1.00 0.00 C ATOM 275 O ARG A 21 3.729 -5.009 -4.443 1.00 0.00 O ATOM 276 CB ARG A 21 3.204 -1.812 -4.784 1.00 0.00 C ATOM 277 CG ARG A 21 2.132 -0.721 -4.730 1.00 0.00 C ATOM 278 CD ARG A 21 1.990 -0.074 -6.108 1.00 0.00 C ATOM 279 NE ARG A 21 1.649 1.345 -5.979 1.00 0.00 N ATOM 280 CZ ARG A 21 1.428 2.125 -7.047 1.00 0.00 C ATOM 281 NH1 ARG A 21 1.507 1.648 -8.266 1.00 0.00 N ATOM 282 NH2 ARG A 21 1.127 3.383 -6.870 1.00 0.00 N ATOM 0 H ARG A 21 3.225 -1.293 -2.359 1.00 0.00 H new ATOM 0 HA ARG A 21 1.918 -3.287 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.190 -1.377 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.220 -2.273 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.179 -1.148 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.402 0.032 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.922 -0.181 -6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.218 -0.589 -6.679 1.00 0.00 H new ATOM 0 HE ARG A 21 1.577 1.753 -5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.740 0.666 -8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.335 2.259 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.062 3.764 -5.926 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.957 3.985 -7.676 1.00 0.00 H new ATOM 296 N LYS A 22 5.105 -3.747 -3.184 1.00 0.00 N ATOM 297 CA LYS A 22 6.184 -4.732 -3.204 1.00 0.00 C ATOM 298 C LYS A 22 5.729 -6.030 -2.544 1.00 0.00 C ATOM 299 O LYS A 22 5.997 -7.124 -3.041 1.00 0.00 O ATOM 300 CB LYS A 22 7.411 -4.200 -2.463 1.00 0.00 C ATOM 301 CG LYS A 22 8.635 -5.037 -2.839 1.00 0.00 C ATOM 302 CD LYS A 22 9.750 -4.799 -1.816 1.00 0.00 C ATOM 303 CE LYS A 22 10.616 -3.622 -2.270 1.00 0.00 C ATOM 304 NZ LYS A 22 10.110 -2.365 -1.649 1.00 0.00 N ATOM 0 H LYS A 22 5.312 -2.898 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 22 6.446 -4.923 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.579 -3.154 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.245 -4.241 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.371 -6.094 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.980 -4.769 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.321 -4.592 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.361 -5.696 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.655 -3.789 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.594 -3.538 -3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.072 -1.614 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.157 -2.526 -1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.748 -2.076 -0.880 1.00 0.00 H new ATOM 318 N ARG A 23 5.031 -5.894 -1.419 1.00 0.00 N ATOM 319 CA ARG A 23 4.536 -7.063 -0.698 1.00 0.00 C ATOM 320 C ARG A 23 3.546 -7.839 -1.561 1.00 0.00 C ATOM 321 O ARG A 23 3.449 -9.064 -1.472 1.00 0.00 O ATOM 322 CB ARG A 23 3.844 -6.640 0.600 1.00 0.00 C ATOM 323 CG ARG A 23 3.540 -7.879 1.444 1.00 0.00 C ATOM 324 CD ARG A 23 2.344 -7.598 2.354 1.00 0.00 C ATOM 325 NE ARG A 23 2.253 -8.604 3.413 1.00 0.00 N ATOM 326 CZ ARG A 23 1.343 -8.526 4.395 1.00 0.00 C ATOM 327 NH1 ARG A 23 0.487 -7.533 4.452 1.00 0.00 N ATOM 328 NH2 ARG A 23 1.309 -9.453 5.313 1.00 0.00 N ATOM 0 H ARG A 23 4.798 -4.998 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 23 5.389 -7.699 -0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.482 -5.955 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.921 -6.105 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.325 -8.729 0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.411 -8.146 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.441 -6.606 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.426 -7.597 1.767 1.00 0.00 H new ATOM 0 HE ARG A 23 2.903 -9.390 3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.506 -6.802 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.197 -7.492 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.971 -10.228 5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.620 -9.402 6.064 1.00 0.00 H new ATOM 342 N ARG A 24 2.810 -7.110 -2.397 1.00 0.00 N ATOM 343 CA ARG A 24 1.825 -7.734 -3.278 1.00 0.00 C ATOM 344 C ARG A 24 2.505 -8.723 -4.223 1.00 0.00 C ATOM 345 O ARG A 24 2.082 -9.872 -4.352 1.00 0.00 O ATOM 346 CB ARG A 24 1.101 -6.671 -4.106 1.00 0.00 C ATOM 347 CG ARG A 24 -0.314 -7.151 -4.439 1.00 0.00 C ATOM 348 CD ARG A 24 -1.280 -5.963 -4.412 1.00 0.00 C ATOM 349 NE ARG A 24 -2.289 -6.092 -5.466 1.00 0.00 N ATOM 350 CZ ARG A 24 -1.987 -5.949 -6.765 1.00 0.00 C ATOM 351 NH1 ARG A 24 -0.761 -5.682 -7.151 1.00 0.00 N ATOM 352 NH2 ARG A 24 -2.927 -6.075 -7.660 1.00 0.00 N ATOM 0 H ARG A 24 2.875 -6.096 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 24 1.104 -8.264 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.056 -5.733 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.654 -6.473 -5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.327 -7.621 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.631 -7.907 -3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.768 -5.907 -3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.726 -5.034 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.253 -6.297 -5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.019 -5.580 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.550 -5.577 -8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.883 -6.281 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.706 -5.968 -8.650 1.00 0.00 H new ATOM 366 N GLU A 25 3.564 -8.259 -4.879 1.00 0.00 N ATOM 367 CA GLU A 25 4.301 -9.109 -5.811 1.00 0.00 C ATOM 368 C GLU A 25 4.917 -10.293 -5.075 1.00 0.00 C ATOM 369 O GLU A 25 4.972 -11.407 -5.596 1.00 0.00 O ATOM 370 CB GLU A 25 5.415 -8.314 -6.497 1.00 0.00 C ATOM 371 CG GLU A 25 5.692 -8.910 -7.877 1.00 0.00 C ATOM 372 CD GLU A 25 4.543 -8.568 -8.821 1.00 0.00 C ATOM 373 OE1 GLU A 25 4.382 -7.396 -9.122 1.00 0.00 O ATOM 374 OE2 GLU A 25 3.844 -9.480 -9.228 1.00 0.00 O ATOM 0 H GLU A 25 3.929 -7.311 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 25 3.600 -9.471 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.124 -7.268 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.320 -8.338 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.630 -8.519 -8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.805 -9.992 -7.801 1.00 0.00 H new ATOM 381 N GLN A 26 5.380 -10.040 -3.854 1.00 0.00 N ATOM 382 CA GLN A 26 5.992 -11.093 -3.048 1.00 0.00 C ATOM 383 C GLN A 26 4.966 -12.171 -2.717 1.00 0.00 C ATOM 384 O GLN A 26 5.295 -13.354 -2.624 1.00 0.00 O ATOM 385 CB GLN A 26 6.546 -10.515 -1.743 1.00 0.00 C ATOM 386 CG GLN A 26 7.820 -9.719 -2.037 1.00 0.00 C ATOM 387 CD GLN A 26 9.034 -10.630 -1.886 1.00 0.00 C ATOM 388 OE1 GLN A 26 9.232 -11.549 -2.681 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.868 -10.428 -0.902 1.00 0.00 N ATOM 0 H GLN A 26 5.344 -9.125 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 26 6.807 -11.530 -3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.802 -9.871 -1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.761 -11.319 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.782 -9.311 -3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.899 -8.873 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.705 -9.667 -0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.683 -11.031 -0.792 1.00 0.00 H new ATOM 398 N LEU A 27 3.717 -11.749 -2.542 1.00 0.00 N ATOM 399 CA LEU A 27 2.644 -12.687 -2.221 1.00 0.00 C ATOM 400 C LEU A 27 2.447 -13.677 -3.364 1.00 0.00 C ATOM 401 O LEU A 27 2.333 -14.884 -3.148 1.00 0.00 O ATOM 402 CB LEU A 27 1.334 -11.939 -1.979 1.00 0.00 C ATOM 403 CG LEU A 27 1.358 -11.299 -0.591 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.330 -10.168 -0.530 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.016 -12.355 0.463 1.00 0.00 C ATOM 0 H LEU A 27 3.424 -10.775 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 27 2.925 -13.225 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.195 -11.173 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.491 -12.626 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 27 2.352 -10.896 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.348 -9.713 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.572 -9.415 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.664 -10.569 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.033 -11.900 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.022 -12.758 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.749 -13.161 0.422 1.00 0.00 H new ATOM 417 N LYS A 28 2.410 -13.153 -4.586 1.00 0.00 N ATOM 418 CA LYS A 28 2.227 -13.998 -5.762 1.00 0.00 C ATOM 419 C LYS A 28 3.391 -14.973 -5.901 1.00 0.00 C ATOM 420 O LYS A 28 3.225 -16.101 -6.364 1.00 0.00 O ATOM 421 CB LYS A 28 2.137 -13.144 -7.028 1.00 0.00 C ATOM 422 CG LYS A 28 0.707 -12.625 -7.194 1.00 0.00 C ATOM 423 CD LYS A 28 -0.129 -13.664 -7.942 1.00 0.00 C ATOM 424 CE LYS A 28 -1.291 -12.968 -8.655 1.00 0.00 C ATOM 425 NZ LYS A 28 -0.815 -12.409 -9.952 1.00 0.00 N ATOM 0 H LYS A 28 2.503 -12.157 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 28 1.299 -14.555 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.834 -12.308 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.424 -13.734 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.267 -12.423 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.712 -11.683 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.491 -14.193 -8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.511 -14.410 -7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.102 -13.676 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.691 -12.171 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.604 -11.936 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.055 -11.721 -9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.453 -13.179 -10.550 1.00 0.00 H new ATOM 439 N HIS A 29 4.576 -14.523 -5.494 1.00 0.00 N ATOM 440 CA HIS A 29 5.768 -15.361 -5.576 1.00 0.00 C ATOM 441 C HIS A 29 5.678 -16.511 -4.577 1.00 0.00 C ATOM 442 O HIS A 29 6.170 -17.611 -4.827 1.00 0.00 O ATOM 443 CB HIS A 29 7.023 -14.539 -5.280 1.00 0.00 C ATOM 444 CG HIS A 29 7.220 -13.517 -6.366 1.00 0.00 C ATOM 445 ND1 HIS A 29 7.107 -13.836 -7.709 1.00 0.00 N ATOM 446 CD2 HIS A 29 7.523 -12.180 -6.321 1.00 0.00 C ATOM 447 CE1 HIS A 29 7.339 -12.712 -8.413 1.00 0.00 C ATOM 448 NE2 HIS A 29 7.599 -11.673 -7.615 1.00 0.00 N ATOM 0 H HIS A 29 4.735 -13.592 -5.108 1.00 0.00 H new ATOM 0 HA HIS A 29 5.830 -15.762 -6.588 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.927 -14.044 -4.313 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.893 -15.193 -5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.679 -11.608 -5.419 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.317 -12.657 -9.491 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.808 -10.714 -7.894 1.00 0.00 H new ATOM 647 N LYS B 9 -4.542 15.537 -1.766 1.00 0.00 N ATOM 648 CA LYS B 9 -3.547 14.511 -2.062 1.00 0.00 C ATOM 649 C LYS B 9 -3.472 13.496 -0.926 1.00 0.00 C ATOM 650 O LYS B 9 -3.407 12.288 -1.154 1.00 0.00 O ATOM 651 CB LYS B 9 -2.167 15.143 -2.258 1.00 0.00 C ATOM 652 CG LYS B 9 -1.314 14.240 -3.151 1.00 0.00 C ATOM 653 CD LYS B 9 -1.589 14.569 -4.619 1.00 0.00 C ATOM 654 CE LYS B 9 -0.882 15.874 -4.993 1.00 0.00 C ATOM 655 NZ LYS B 9 0.445 15.563 -5.596 1.00 0.00 N ATOM 0 HA LYS B 9 -3.848 14.006 -2.980 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.268 16.129 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.679 15.284 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.257 14.383 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.543 13.193 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.238 13.757 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -2.662 14.664 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.490 16.441 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.755 16.498 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.927 16.449 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.024 15.039 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.311 14.984 -6.449 1.00 0.00 H new ATOM 669 N ASN B 10 -3.480 14.002 0.305 1.00 0.00 N ATOM 670 CA ASN B 10 -3.411 13.134 1.478 1.00 0.00 C ATOM 671 C ASN B 10 -4.613 12.194 1.521 1.00 0.00 C ATOM 672 O ASN B 10 -4.494 11.031 1.907 1.00 0.00 O ATOM 673 CB ASN B 10 -3.384 13.969 2.760 1.00 0.00 C ATOM 674 CG ASN B 10 -1.940 14.298 3.122 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.252 13.495 3.754 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.434 15.444 2.758 1.00 0.00 N ATOM 0 H ASN B 10 -3.533 14.999 0.515 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.495 12.547 1.407 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.953 14.888 2.620 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.858 13.421 3.574 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.469 15.674 2.997 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.003 16.110 2.235 1.00 0.00 H new ATOM 683 N ASP B 11 -5.772 12.712 1.124 1.00 0.00 N ATOM 684 CA ASP B 11 -6.993 11.911 1.122 1.00 0.00 C ATOM 685 C ASP B 11 -6.849 10.723 0.174 1.00 0.00 C ATOM 686 O ASP B 11 -7.063 9.573 0.560 1.00 0.00 O ATOM 687 CB ASP B 11 -8.189 12.757 0.682 1.00 0.00 C ATOM 688 CG ASP B 11 -9.477 11.967 0.889 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.764 11.113 0.068 1.00 0.00 O ATOM 690 OD2 ASP B 11 -10.159 12.230 1.868 1.00 0.00 O ATOM 0 H ASP B 11 -5.892 13.673 0.803 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.159 11.549 2.137 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -8.223 13.684 1.255 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.085 13.034 -0.367 1.00 0.00 H new ATOM 695 N THR B 12 -6.487 11.015 -1.070 1.00 0.00 N ATOM 696 CA THR B 12 -6.317 9.964 -2.070 1.00 0.00 C ATOM 697 C THR B 12 -5.203 9.005 -1.657 1.00 0.00 C ATOM 698 O THR B 12 -5.246 7.813 -1.962 1.00 0.00 O ATOM 699 CB THR B 12 -5.972 10.571 -3.432 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.055 11.641 -3.252 1.00 0.00 O ATOM 701 CG2 THR B 12 -7.245 11.093 -4.097 1.00 0.00 C ATOM 0 H THR B 12 -6.307 11.960 -1.409 1.00 0.00 H new ATOM 0 HA THR B 12 -7.257 9.417 -2.143 1.00 0.00 H new ATOM 0 HB THR B 12 -5.521 9.808 -4.067 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.563 11.512 -2.415 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.998 11.525 -5.067 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.947 10.271 -4.234 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.699 11.856 -3.465 1.00 0.00 H new ATOM 709 N HIS B 13 -4.203 9.543 -0.964 1.00 0.00 N ATOM 710 CA HIS B 13 -3.078 8.727 -0.514 1.00 0.00 C ATOM 711 C HIS B 13 -3.542 7.683 0.494 1.00 0.00 C ATOM 712 O HIS B 13 -3.166 6.513 0.419 1.00 0.00 O ATOM 713 CB HIS B 13 -2.010 9.606 0.138 1.00 0.00 C ATOM 714 CG HIS B 13 -1.120 10.189 -0.924 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.446 9.398 -1.840 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.783 11.486 -1.227 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.256 10.218 -2.645 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.086 11.501 -2.315 1.00 0.00 N ATOM 0 H HIS B 13 -4.148 10.528 -0.704 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.657 8.226 -1.386 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.482 10.405 0.710 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.419 9.018 0.840 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.476 8.380 -1.895 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -1.138 12.360 -0.702 1.00 0.00 H new ATOM 0 HE1 HIS B 13 0.881 9.879 -3.458 1.00 0.00 H new ATOM 726 N GLN B 14 -4.364 8.123 1.442 1.00 0.00 N ATOM 727 CA GLN B 14 -4.879 7.223 2.472 1.00 0.00 C ATOM 728 C GLN B 14 -5.692 6.094 1.845 1.00 0.00 C ATOM 729 O GLN B 14 -5.743 4.982 2.370 1.00 0.00 O ATOM 730 CB GLN B 14 -5.768 7.990 3.454 1.00 0.00 C ATOM 731 CG GLN B 14 -5.977 7.151 4.716 1.00 0.00 C ATOM 732 CD GLN B 14 -6.088 8.073 5.926 1.00 0.00 C ATOM 733 OE1 GLN B 14 -5.275 8.980 6.102 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.058 7.891 6.781 1.00 0.00 N ATOM 0 H GLN B 14 -4.686 9.088 1.520 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.026 6.801 3.003 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.306 8.943 3.711 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.729 8.216 2.991 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.880 6.549 4.620 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.145 6.459 4.848 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -7.732 7.139 6.635 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.142 8.501 7.595 1.00 0.00 H new ATOM 743 N GLN B 15 -6.331 6.394 0.717 1.00 0.00 N ATOM 744 CA GLN B 15 -7.145 5.395 0.026 1.00 0.00 C ATOM 745 C GLN B 15 -6.259 4.340 -0.630 1.00 0.00 C ATOM 746 O GLN B 15 -6.584 3.155 -0.635 1.00 0.00 O ATOM 747 CB GLN B 15 -8.008 6.059 -1.047 1.00 0.00 C ATOM 748 CG GLN B 15 -9.122 6.867 -0.378 1.00 0.00 C ATOM 749 CD GLN B 15 -10.318 5.961 -0.112 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.526 5.511 1.015 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.127 5.663 -1.092 1.00 0.00 N ATOM 0 H GLN B 15 -6.303 7.308 0.266 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.788 4.917 0.765 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.395 6.711 -1.670 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.437 5.302 -1.703 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -8.763 7.297 0.557 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.417 7.698 -1.018 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.956 6.035 -2.026 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.931 5.058 -0.924 1.00 0.00 H new ATOM 760 N ASP B 16 -5.135 4.787 -1.188 1.00 0.00 N ATOM 761 CA ASP B 16 -4.206 3.874 -1.852 1.00 0.00 C ATOM 762 C ASP B 16 -3.709 2.807 -0.880 1.00 0.00 C ATOM 763 O ASP B 16 -3.669 1.619 -1.204 1.00 0.00 O ATOM 764 CB ASP B 16 -3.004 4.642 -2.403 1.00 0.00 C ATOM 765 CG ASP B 16 -2.505 3.968 -3.677 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.280 3.877 -4.617 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.359 3.552 -3.696 1.00 0.00 O ATOM 0 H ASP B 16 -4.847 5.766 -1.194 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.740 3.394 -2.672 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.284 5.674 -2.612 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.207 4.672 -1.660 1.00 0.00 H new ATOM 772 N ILE B 17 -3.330 3.245 0.316 1.00 0.00 N ATOM 773 CA ILE B 17 -2.834 2.322 1.334 1.00 0.00 C ATOM 774 C ILE B 17 -3.933 1.333 1.727 1.00 0.00 C ATOM 775 O ILE B 17 -3.856 0.141 1.430 1.00 0.00 O ATOM 776 CB ILE B 17 -2.346 3.122 2.574 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.886 3.532 2.357 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.441 2.288 3.871 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.833 4.914 1.703 1.00 0.00 C ATOM 0 H ILE B 17 -3.356 4.223 0.604 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.994 1.757 0.930 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.988 3.996 2.685 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.357 3.549 3.310 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.382 2.800 1.726 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.090 2.884 4.713 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.477 1.995 4.040 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.823 1.395 3.776 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.206 5.204 1.549 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.347 4.882 0.742 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.321 5.642 2.351 1.00 0.00 H new ATOM 791 N ASP B 18 -4.939 1.846 2.433 1.00 0.00 N ATOM 792 CA ASP B 18 -6.044 1.018 2.913 1.00 0.00 C ATOM 793 C ASP B 18 -6.582 0.087 1.819 1.00 0.00 C ATOM 794 O ASP B 18 -7.090 -0.997 2.105 1.00 0.00 O ATOM 795 CB ASP B 18 -7.185 1.904 3.418 1.00 0.00 C ATOM 796 CG ASP B 18 -7.010 2.165 4.912 1.00 0.00 C ATOM 797 OD1 ASP B 18 -7.365 1.294 5.688 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.524 3.230 5.255 1.00 0.00 O ATOM 0 H ASP B 18 -5.012 2.832 2.685 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.655 0.403 3.725 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.194 2.848 2.873 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.144 1.420 3.233 1.00 0.00 H new ATOM 803 N ASP B 19 -6.460 0.521 0.569 1.00 0.00 N ATOM 804 CA ASP B 19 -6.936 -0.284 -0.555 1.00 0.00 C ATOM 805 C ASP B 19 -5.968 -1.432 -0.829 1.00 0.00 C ATOM 806 O ASP B 19 -6.377 -2.537 -1.189 1.00 0.00 O ATOM 807 CB ASP B 19 -7.070 0.573 -1.816 1.00 0.00 C ATOM 808 CG ASP B 19 -7.747 -0.237 -2.916 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.043 -0.924 -3.637 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.960 -0.158 -3.021 1.00 0.00 O ATOM 0 H ASP B 19 -6.041 1.414 0.308 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.914 -0.686 -0.292 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.652 1.468 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.086 0.905 -2.148 1.00 0.00 H new ATOM 815 N LEU B 20 -4.679 -1.157 -0.656 1.00 0.00 N ATOM 816 CA LEU B 20 -3.654 -2.171 -0.887 1.00 0.00 C ATOM 817 C LEU B 20 -3.666 -3.205 0.235 1.00 0.00 C ATOM 818 O LEU B 20 -3.485 -4.399 0.000 1.00 0.00 O ATOM 819 CB LEU B 20 -2.267 -1.527 -0.954 1.00 0.00 C ATOM 820 CG LEU B 20 -2.145 -0.712 -2.243 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.988 0.280 -2.112 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.879 -1.653 -3.417 1.00 0.00 C ATOM 0 H LEU B 20 -4.321 -0.249 -0.359 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.873 -2.660 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.111 -0.884 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.495 -2.296 -0.923 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.073 -0.167 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.901 0.861 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.178 0.951 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.060 -0.264 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.792 -1.073 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.952 -2.199 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.704 -2.360 -3.511 1.00 0.00 H new ATOM 834 N LYS B 21 -3.882 -2.730 1.459 1.00 0.00 N ATOM 835 CA LYS B 21 -3.916 -3.619 2.616 1.00 0.00 C ATOM 836 C LYS B 21 -5.054 -4.625 2.483 1.00 0.00 C ATOM 837 O LYS B 21 -4.884 -5.817 2.744 1.00 0.00 O ATOM 838 CB LYS B 21 -4.109 -2.815 3.904 1.00 0.00 C ATOM 839 CG LYS B 21 -2.771 -2.217 4.339 1.00 0.00 C ATOM 840 CD LYS B 21 -2.917 -1.591 5.727 1.00 0.00 C ATOM 841 CE LYS B 21 -1.545 -1.512 6.400 1.00 0.00 C ATOM 842 NZ LYS B 21 -1.706 -1.651 7.875 1.00 0.00 N ATOM 0 H LYS B 21 -4.035 -1.745 1.674 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.965 -4.150 2.659 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.839 -2.021 3.744 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.505 -3.458 4.690 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -2.004 -2.991 4.357 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.447 -1.463 3.621 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.351 -0.594 5.644 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.598 -2.186 6.336 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.895 -2.300 6.019 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.066 -0.562 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -0.774 -1.597 8.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -2.311 -0.884 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -2.145 -2.568 8.091 1.00 0.00 H new ATOM 856 N ARG B 22 -6.218 -4.133 2.071 1.00 0.00 N ATOM 857 CA ARG B 22 -7.384 -4.997 1.905 1.00 0.00 C ATOM 858 C ARG B 22 -7.126 -6.034 0.817 1.00 0.00 C ATOM 859 O ARG B 22 -7.597 -7.170 0.897 1.00 0.00 O ATOM 860 CB ARG B 22 -8.613 -4.169 1.523 1.00 0.00 C ATOM 861 CG ARG B 22 -9.877 -5.008 1.728 1.00 0.00 C ATOM 862 CD ARG B 22 -10.132 -5.190 3.226 1.00 0.00 C ATOM 863 NE ARG B 22 -11.516 -5.605 3.467 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.067 -5.574 4.689 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.385 -5.166 5.733 1.00 0.00 N ATOM 866 NH2 ARG B 22 -13.304 -5.957 4.843 1.00 0.00 N ATOM 0 H ARG B 22 -6.380 -3.151 1.848 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.567 -5.502 2.853 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.660 -3.266 2.132 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.541 -3.849 0.484 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.731 -4.519 1.260 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.763 -5.980 1.247 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.447 -5.937 3.629 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.930 -4.256 3.751 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.079 -5.928 2.680 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.417 -4.865 5.624 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.823 -5.150 6.654 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.843 -6.276 4.038 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.733 -5.937 5.768 1.00 0.00 H new ATOM 880 N GLN B 23 -6.372 -5.631 -0.201 1.00 0.00 N ATOM 881 CA GLN B 23 -6.053 -6.533 -1.305 1.00 0.00 C ATOM 882 C GLN B 23 -5.033 -7.576 -0.862 1.00 0.00 C ATOM 883 O GLN B 23 -5.224 -8.776 -1.058 1.00 0.00 O ATOM 884 CB GLN B 23 -5.484 -5.751 -2.490 1.00 0.00 C ATOM 885 CG GLN B 23 -5.853 -6.457 -3.795 1.00 0.00 C ATOM 886 CD GLN B 23 -4.991 -7.704 -3.959 1.00 0.00 C ATOM 887 OE1 GLN B 23 -3.762 -7.620 -3.972 1.00 0.00 O ATOM 888 NE2 GLN B 23 -5.566 -8.869 -4.090 1.00 0.00 N ATOM 0 H GLN B 23 -5.973 -4.696 -0.286 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.974 -7.031 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.878 -4.735 -2.491 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.400 -5.673 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -6.908 -6.730 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.703 -5.785 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.583 -8.940 -4.079 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -4.998 -9.708 -4.203 1.00 0.00 H new ATOM 897 N ASN B 24 -3.946 -7.103 -0.260 1.00 0.00 N ATOM 898 CA ASN B 24 -2.895 -8.001 0.210 1.00 0.00 C ATOM 899 C ASN B 24 -3.402 -8.855 1.370 1.00 0.00 C ATOM 900 O ASN B 24 -2.992 -10.003 1.538 1.00 0.00 O ATOM 901 CB ASN B 24 -1.676 -7.202 0.675 1.00 0.00 C ATOM 902 CG ASN B 24 -0.738 -6.968 -0.505 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.751 -7.725 -1.476 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.084 -5.956 -0.479 1.00 0.00 N ATOM 0 H ASN B 24 -3.770 -6.113 -0.087 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.610 -8.648 -0.620 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.993 -6.248 1.096 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.155 -7.742 1.466 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.716 -5.792 -1.263 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.095 -5.329 0.325 1.00 0.00 H new ATOM 911 N ALA B 25 -4.299 -8.280 2.166 1.00 0.00 N ATOM 912 CA ALA B 25 -4.858 -8.995 3.309 1.00 0.00 C ATOM 913 C ALA B 25 -5.641 -10.217 2.841 1.00 0.00 C ATOM 914 O ALA B 25 -5.675 -11.247 3.515 1.00 0.00 O ATOM 915 CB ALA B 25 -5.790 -8.082 4.108 1.00 0.00 C ATOM 0 H ALA B 25 -4.652 -7.331 2.043 1.00 0.00 H new ATOM 0 HA ALA B 25 -4.031 -9.314 3.944 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -6.198 -8.631 4.957 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.232 -7.218 4.469 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.605 -7.745 3.468 1.00 0.00 H new ATOM 921 N LEU B 26 -6.273 -10.091 1.677 1.00 0.00 N ATOM 922 CA LEU B 26 -7.057 -11.192 1.124 1.00 0.00 C ATOM 923 C LEU B 26 -6.137 -12.271 0.561 1.00 0.00 C ATOM 924 O LEU B 26 -6.385 -13.466 0.725 1.00 0.00 O ATOM 925 CB LEU B 26 -7.976 -10.688 0.009 1.00 0.00 C ATOM 926 CG LEU B 26 -9.246 -11.540 -0.030 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.067 -11.292 1.237 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.076 -11.160 -1.257 1.00 0.00 C ATOM 0 H LEU B 26 -6.259 -9.247 1.104 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.660 -11.613 1.928 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.232 -9.642 0.179 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.462 -10.738 -0.951 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.975 -12.594 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.972 -11.899 1.209 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.476 -11.562 2.112 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.339 -10.238 1.294 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.981 -11.766 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.347 -10.106 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.492 -11.337 -2.160 1.00 0.00 H new ATOM 940 N LEU B 27 -5.072 -11.837 -0.105 1.00 0.00 N ATOM 941 CA LEU B 27 -4.117 -12.772 -0.690 1.00 0.00 C ATOM 942 C LEU B 27 -3.461 -13.615 0.397 1.00 0.00 C ATOM 943 O LEU B 27 -3.433 -14.844 0.319 1.00 0.00 O ATOM 944 CB LEU B 27 -3.031 -12.019 -1.461 1.00 0.00 C ATOM 945 CG LEU B 27 -3.547 -11.659 -2.855 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.665 -10.566 -3.459 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.504 -12.900 -3.749 1.00 0.00 C ATOM 0 H LEU B 27 -4.849 -10.853 -0.253 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.662 -13.422 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.749 -11.115 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.135 -12.635 -1.542 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.573 -11.298 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.033 -10.309 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.694 -9.682 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.639 -10.926 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.871 -12.645 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.478 -13.260 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.132 -13.680 -3.319 1.00 0.00 H new ATOM 959 N GLU B 28 -2.935 -12.941 1.418 1.00 0.00 N ATOM 960 CA GLU B 28 -2.279 -13.634 2.528 1.00 0.00 C ATOM 961 C GLU B 28 -3.245 -14.607 3.198 1.00 0.00 C ATOM 962 O GLU B 28 -2.894 -15.749 3.496 1.00 0.00 O ATOM 963 CB GLU B 28 -1.783 -12.622 3.565 1.00 0.00 C ATOM 964 CG GLU B 28 -0.956 -13.341 4.632 1.00 0.00 C ATOM 965 CD GLU B 28 0.522 -13.269 4.267 1.00 0.00 C ATOM 966 OE1 GLU B 28 0.951 -14.069 3.451 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.206 -12.414 4.808 1.00 0.00 O ATOM 0 H GLU B 28 -2.949 -11.924 1.501 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.431 -14.190 2.127 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.180 -11.855 3.079 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.630 -12.116 4.028 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.123 -12.882 5.607 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -1.271 -14.381 4.711 1.00 0.00 H new ATOM 974 N GLN B 29 -4.470 -14.140 3.434 1.00 0.00 N ATOM 975 CA GLN B 29 -5.495 -14.972 4.071 1.00 0.00 C ATOM 976 C GLN B 29 -5.687 -16.280 3.302 1.00 0.00 C ATOM 977 O GLN B 29 -6.017 -17.315 3.883 1.00 0.00 O ATOM 978 CB GLN B 29 -6.830 -14.227 4.127 1.00 0.00 C ATOM 979 CG GLN B 29 -6.916 -13.428 5.427 1.00 0.00 C ATOM 980 CD GLN B 29 -8.371 -13.327 5.868 1.00 0.00 C ATOM 981 OE1 GLN B 29 -9.255 -13.053 5.056 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.677 -13.535 7.119 1.00 0.00 N ATOM 0 H GLN B 29 -4.778 -13.197 3.196 1.00 0.00 H new ATOM 0 HA GLN B 29 -5.159 -15.196 5.083 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.921 -13.559 3.271 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.656 -14.935 4.068 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.323 -13.912 6.203 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.499 -12.431 5.282 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.945 -13.762 7.792 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.648 -13.471 7.424 1.00 0.00 H new ATOM 991 N GLN B 30 -5.472 -16.220 1.992 1.00 0.00 N ATOM 992 CA GLN B 30 -5.616 -17.404 1.149 1.00 0.00 C ATOM 993 C GLN B 30 -4.300 -18.173 1.095 1.00 0.00 C ATOM 994 O GLN B 30 -4.283 -19.402 1.016 1.00 0.00 O ATOM 995 CB GLN B 30 -6.022 -17.005 -0.271 1.00 0.00 C ATOM 996 CG GLN B 30 -6.790 -18.155 -0.926 1.00 0.00 C ATOM 997 CD GLN B 30 -7.505 -17.645 -2.171 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.180 -16.616 -2.129 1.00 0.00 O ATOM 999 NE2 GLN B 30 -7.400 -18.311 -3.288 1.00 0.00 N ATOM 0 H GLN B 30 -5.200 -15.373 1.493 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.392 -18.037 1.580 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.642 -16.109 -0.245 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.137 -16.764 -0.859 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.104 -18.960 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.512 -18.571 -0.223 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -6.841 -19.163 -3.323 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -7.877 -17.979 -4.126 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.196 -17.431 1.140 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.872 -18.044 1.099 1.00 0.00 C ATOM 1010 C VAL B 31 -1.596 -18.792 2.402 1.00 0.00 C ATOM 1011 O VAL B 31 -0.920 -19.822 2.413 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.796 -16.969 0.890 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.579 -17.629 0.746 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.113 -16.164 -0.379 1.00 0.00 C ATOM 0 H VAL B 31 -3.192 -16.413 1.204 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.843 -18.748 0.267 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.785 -16.302 1.752 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.338 -16.861 0.598 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.807 -18.195 1.649 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.572 -18.302 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.349 -15.401 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.129 -16.833 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.087 -15.686 -0.273 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.128 -18.263 3.499 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.934 -18.887 4.805 1.00 0.00 C ATOM 1026 C ARG B 32 -2.618 -20.249 4.849 1.00 0.00 C ATOM 1027 O ARG B 32 -2.094 -21.205 5.422 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.511 -18.003 5.912 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.431 -17.038 6.410 1.00 0.00 C ATOM 1030 CD ARG B 32 -1.925 -16.326 7.669 1.00 0.00 C ATOM 1031 NE ARG B 32 -2.169 -17.289 8.746 1.00 0.00 N ATOM 1032 CZ ARG B 32 -2.887 -16.975 9.833 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -3.408 -15.780 9.985 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -3.073 -17.876 10.760 1.00 0.00 N ATOM 0 H ARG B 32 -2.691 -17.413 3.512 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.863 -19.012 4.963 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -3.368 -17.444 5.536 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.870 -18.621 6.735 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.512 -17.583 6.625 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.195 -16.308 5.635 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -1.187 -15.592 7.991 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -2.842 -15.780 7.448 1.00 0.00 H new ATOM 0 HE ARG B 32 -1.780 -18.228 8.666 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -3.270 -15.068 9.267 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -3.951 -15.563 10.821 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -2.673 -18.808 10.653 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -3.618 -17.647 11.591 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.797 -20.327 4.238 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.549 -21.578 4.211 1.00 0.00 C ATOM 1050 C ALA B 33 -3.767 -22.654 3.465 1.00 0.00 C ATOM 1051 O ALA B 33 -3.668 -23.795 3.915 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.901 -21.376 3.524 1.00 0.00 C ATOM 0 H ALA B 33 -4.249 -19.548 3.760 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.710 -21.895 5.241 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.448 -22.319 3.513 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.478 -20.628 4.068 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.742 -21.037 2.500 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.212 -22.275 2.317 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.438 -23.214 1.511 1.00 0.00 C ATOM 1060 C LEU B 34 -1.070 -23.454 2.142 1.00 0.00 C ATOM 1061 O LEU B 34 -0.198 -22.586 2.108 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.242 -22.667 0.089 1.00 0.00 C ATOM 1063 CG LEU B 34 -3.447 -23.019 -0.797 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -3.587 -24.540 -0.909 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.729 -22.430 -0.195 1.00 0.00 C ATOM 0 H LEU B 34 -3.282 -21.335 1.927 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.989 -24.153 1.466 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.113 -21.585 0.124 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.332 -23.082 -0.344 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.289 -22.598 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.443 -24.781 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.682 -24.957 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.735 -24.966 0.083 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.579 -22.684 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.885 -22.841 0.802 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.636 -21.346 -0.130 1.00 0.00 H new