USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=5 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= -0.265 X(o=-0.27,f=-0.69!) 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= -0.393 K(o=-0.39,f=-4.7!) USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= -0.0311 (180deg=-0.732) USER MOD Single : A 29 HIS : no HD1:sc= -0.0951 X(o=-0.095,f=-0.19) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.66 K(o=-1.7,f=-4.6!) USER MOD Single : B 12 THR OG1 : rot 47:sc= 1.16 USER MOD Single : B 13 HIS :FLIP no HE2:sc= -1.18 F(o=-1.7,f=-1.2) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00437) USER MOD Single : B 23 GLN : amide:sc= -2.06 K(o=-2.1,f=-5.6!) USER MOD Single : B 24 ASN : amide:sc= -4.02 K(o=-4,f=-16!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.352 18.468 2.846 1.00 0.00 N ATOM 48 CA GLN A 7 5.337 17.916 1.920 1.00 0.00 C ATOM 49 C GLN A 7 6.035 16.711 2.542 1.00 0.00 C ATOM 50 O GLN A 7 6.342 15.733 1.860 1.00 0.00 O ATOM 51 CB GLN A 7 6.387 18.970 1.564 1.00 0.00 C ATOM 52 CG GLN A 7 5.815 19.928 0.516 1.00 0.00 C ATOM 53 CD GLN A 7 6.520 21.276 0.620 1.00 0.00 C ATOM 54 OE1 GLN A 7 7.736 21.362 0.452 1.00 0.00 O ATOM 55 NE2 GLN A 7 5.820 22.344 0.888 1.00 0.00 N ATOM 0 HA GLN A 7 4.812 17.607 1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.679 19.523 2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.286 18.488 1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.948 19.512 -0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.743 20.053 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.812 22.272 1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.281 23.251 0.958 1.00 0.00 H new ATOM 64 N ALA A 8 6.282 16.792 3.846 1.00 0.00 N ATOM 65 CA ALA A 8 6.944 15.702 4.557 1.00 0.00 C ATOM 66 C ALA A 8 6.030 14.483 4.633 1.00 0.00 C ATOM 67 O ALA A 8 6.470 13.347 4.458 1.00 0.00 O ATOM 68 CB ALA A 8 7.316 16.135 5.976 1.00 0.00 C ATOM 0 H ALA A 8 6.037 17.593 4.428 1.00 0.00 H new ATOM 0 HA ALA A 8 7.850 15.444 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.808 15.310 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.992 16.989 5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.413 16.415 6.519 1.00 0.00 H new ATOM 74 N GLU A 9 4.751 14.733 4.898 1.00 0.00 N ATOM 75 CA GLU A 9 3.777 13.649 4.996 1.00 0.00 C ATOM 76 C GLU A 9 3.479 13.073 3.615 1.00 0.00 C ATOM 77 O GLU A 9 3.348 11.860 3.448 1.00 0.00 O ATOM 78 CB GLU A 9 2.474 14.155 5.616 1.00 0.00 C ATOM 79 CG GLU A 9 2.667 14.352 7.120 1.00 0.00 C ATOM 80 CD GLU A 9 1.310 14.345 7.815 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.658 15.376 7.809 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.942 13.307 8.341 1.00 0.00 O ATOM 0 H GLU A 9 4.367 15.666 5.047 1.00 0.00 H new ATOM 0 HA GLU A 9 4.203 12.871 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.178 15.095 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.670 13.442 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.297 13.559 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.180 15.295 7.311 1.00 0.00 H new ATOM 89 N GLU A 10 3.374 13.957 2.627 1.00 0.00 N ATOM 90 CA GLU A 10 3.092 13.529 1.260 1.00 0.00 C ATOM 91 C GLU A 10 4.220 12.648 0.735 1.00 0.00 C ATOM 92 O GLU A 10 3.980 11.600 0.133 1.00 0.00 O ATOM 93 CB GLU A 10 2.937 14.742 0.341 1.00 0.00 C ATOM 94 CG GLU A 10 2.203 14.325 -0.936 1.00 0.00 C ATOM 95 CD GLU A 10 1.867 15.564 -1.757 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.698 15.964 -2.557 1.00 0.00 O ATOM 97 OE2 GLU A 10 0.785 16.098 -1.574 1.00 0.00 O ATOM 0 H GLU A 10 3.479 14.965 2.745 1.00 0.00 H new ATOM 0 HA GLU A 10 2.162 12.961 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.382 15.530 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.916 15.151 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.824 13.646 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.291 13.785 -0.684 1.00 0.00 H new ATOM 104 N GLN A 11 5.454 13.084 0.968 1.00 0.00 N ATOM 105 CA GLN A 11 6.618 12.328 0.514 1.00 0.00 C ATOM 106 C GLN A 11 6.653 10.955 1.176 1.00 0.00 C ATOM 107 O GLN A 11 6.962 9.948 0.537 1.00 0.00 O ATOM 108 CB GLN A 11 7.909 13.077 0.855 1.00 0.00 C ATOM 109 CG GLN A 11 8.071 14.272 -0.085 1.00 0.00 C ATOM 110 CD GLN A 11 9.156 15.198 0.450 1.00 0.00 C ATOM 111 OE1 GLN A 11 8.874 16.113 1.224 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.394 15.015 0.081 1.00 0.00 N ATOM 0 H GLN A 11 5.674 13.948 1.463 1.00 0.00 H new ATOM 0 HA GLN A 11 6.541 12.209 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.882 13.417 1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.765 12.409 0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.333 13.928 -1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.128 14.811 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.628 14.257 -0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.127 15.630 0.434 1.00 0.00 H new ATOM 121 N LYS A 12 6.329 10.925 2.465 1.00 0.00 N ATOM 122 CA LYS A 12 6.326 9.669 3.211 1.00 0.00 C ATOM 123 C LYS A 12 5.186 8.771 2.736 1.00 0.00 C ATOM 124 O LYS A 12 5.314 7.549 2.700 1.00 0.00 O ATOM 125 CB LYS A 12 6.160 9.934 4.709 1.00 0.00 C ATOM 126 CG LYS A 12 7.529 10.214 5.333 1.00 0.00 C ATOM 127 CD LYS A 12 7.569 9.647 6.754 1.00 0.00 C ATOM 128 CE LYS A 12 8.186 8.247 6.730 1.00 0.00 C ATOM 129 NZ LYS A 12 8.063 7.627 8.080 1.00 0.00 N ATOM 0 H LYS A 12 6.068 11.746 3.011 1.00 0.00 H new ATOM 0 HA LYS A 12 7.280 9.172 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.496 10.784 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.697 9.073 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.315 9.763 4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.719 11.287 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.152 10.302 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.562 9.605 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.683 7.629 5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.235 8.305 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.482 6.675 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.562 8.214 8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.058 7.559 8.340 1.00 0.00 H new ATOM 143 N LEU A 13 4.069 9.397 2.374 1.00 0.00 N ATOM 144 CA LEU A 13 2.906 8.648 1.902 1.00 0.00 C ATOM 145 C LEU A 13 3.247 7.874 0.633 1.00 0.00 C ATOM 146 O LEU A 13 2.718 6.790 0.387 1.00 0.00 O ATOM 147 CB LEU A 13 1.742 9.596 1.610 1.00 0.00 C ATOM 148 CG LEU A 13 0.908 9.789 2.876 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.062 10.953 2.676 1.00 0.00 C ATOM 150 CD2 LEU A 13 0.117 8.511 3.163 1.00 0.00 C ATOM 0 H LEU A 13 3.944 10.409 2.397 1.00 0.00 H new ATOM 0 HA LEU A 13 2.617 7.948 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.121 10.557 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.121 9.190 0.812 1.00 0.00 H new ATOM 0 HG LEU A 13 1.568 10.007 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.657 11.090 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.500 11.864 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.722 10.736 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.479 8.647 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.542 8.295 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.808 7.680 3.306 1.00 0.00 H new ATOM 162 N ILE A 14 4.140 8.445 -0.171 1.00 0.00 N ATOM 163 CA ILE A 14 4.549 7.802 -1.418 1.00 0.00 C ATOM 164 C ILE A 14 5.438 6.594 -1.128 1.00 0.00 C ATOM 165 O ILE A 14 5.254 5.519 -1.699 1.00 0.00 O ATOM 166 CB ILE A 14 5.318 8.793 -2.300 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.438 10.014 -2.577 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.697 8.129 -3.629 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.316 11.192 -3.005 1.00 0.00 C ATOM 0 H ILE A 14 4.590 9.341 0.015 1.00 0.00 H new ATOM 0 HA ILE A 14 3.651 7.472 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 14 6.226 9.101 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.714 9.784 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.870 10.276 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.243 8.841 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.326 7.260 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.792 7.814 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.688 12.061 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.022 11.428 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.864 10.928 -3.909 1.00 0.00 H new ATOM 181 N SER A 15 6.412 6.788 -0.245 1.00 0.00 N ATOM 182 CA SER A 15 7.339 5.712 0.102 1.00 0.00 C ATOM 183 C SER A 15 6.591 4.500 0.652 1.00 0.00 C ATOM 184 O SER A 15 6.831 3.366 0.235 1.00 0.00 O ATOM 185 CB SER A 15 8.347 6.191 1.148 1.00 0.00 C ATOM 186 OG SER A 15 9.010 7.352 0.664 1.00 0.00 O ATOM 0 H SER A 15 6.581 7.669 0.240 1.00 0.00 H new ATOM 0 HA SER A 15 7.864 5.424 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.838 6.413 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.072 5.405 1.358 1.00 0.00 H new ATOM 0 HG SER A 15 9.656 7.663 1.333 1.00 0.00 H new ATOM 192 N GLU A 16 5.685 4.747 1.595 1.00 0.00 N ATOM 193 CA GLU A 16 4.911 3.663 2.197 1.00 0.00 C ATOM 194 C GLU A 16 4.086 2.940 1.134 1.00 0.00 C ATOM 195 O GLU A 16 3.852 1.735 1.221 1.00 0.00 O ATOM 196 CB GLU A 16 3.975 4.202 3.283 1.00 0.00 C ATOM 197 CG GLU A 16 3.051 5.270 2.689 1.00 0.00 C ATOM 198 CD GLU A 16 2.077 5.752 3.758 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.540 6.207 4.791 1.00 0.00 O ATOM 200 OE2 GLU A 16 0.883 5.658 3.528 1.00 0.00 O ATOM 0 H GLU A 16 5.470 5.676 1.956 1.00 0.00 H new ATOM 0 HA GLU A 16 5.614 2.962 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.383 3.388 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.558 4.626 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.640 6.107 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.503 4.861 1.841 1.00 0.00 H new ATOM 207 N GLU A 17 3.651 3.694 0.128 1.00 0.00 N ATOM 208 CA GLU A 17 2.853 3.119 -0.951 1.00 0.00 C ATOM 209 C GLU A 17 3.696 2.151 -1.776 1.00 0.00 C ATOM 210 O GLU A 17 3.204 1.135 -2.265 1.00 0.00 O ATOM 211 CB GLU A 17 2.319 4.221 -1.868 1.00 0.00 C ATOM 212 CG GLU A 17 1.288 3.629 -2.831 1.00 0.00 C ATOM 213 CD GLU A 17 0.939 4.660 -3.899 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.359 5.675 -3.549 1.00 0.00 O ATOM 215 OE2 GLU A 17 1.259 4.419 -5.053 1.00 0.00 O ATOM 0 H GLU A 17 3.835 4.693 0.037 1.00 0.00 H new ATOM 0 HA GLU A 17 2.016 2.583 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.864 5.014 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.138 4.672 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.686 2.727 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.391 3.337 -2.285 1.00 0.00 H new ATOM 222 N ASP A 18 4.977 2.481 -1.923 1.00 0.00 N ATOM 223 CA ASP A 18 5.889 1.636 -2.689 1.00 0.00 C ATOM 224 C ASP A 18 6.179 0.345 -1.931 1.00 0.00 C ATOM 225 O ASP A 18 6.259 -0.733 -2.520 1.00 0.00 O ATOM 226 CB ASP A 18 7.207 2.369 -2.950 1.00 0.00 C ATOM 227 CG ASP A 18 7.970 1.663 -4.064 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.370 1.401 -5.093 1.00 0.00 O ATOM 229 OD2 ASP A 18 9.145 1.395 -3.871 1.00 0.00 O ATOM 0 H ASP A 18 5.403 3.318 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 18 5.412 1.400 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.010 3.404 -3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.808 2.392 -2.041 1.00 0.00 H new ATOM 234 N LEU A 19 6.335 0.468 -0.615 1.00 0.00 N ATOM 235 CA LEU A 19 6.615 -0.697 0.220 1.00 0.00 C ATOM 236 C LEU A 19 5.461 -1.692 0.146 1.00 0.00 C ATOM 237 O LEU A 19 5.669 -2.904 0.115 1.00 0.00 O ATOM 238 CB LEU A 19 6.818 -0.276 1.677 1.00 0.00 C ATOM 239 CG LEU A 19 8.294 0.046 1.915 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.424 1.004 3.099 1.00 0.00 C ATOM 241 CD2 LEU A 19 9.053 -1.247 2.221 1.00 0.00 C ATOM 0 H LEU A 19 6.273 1.351 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 19 7.526 -1.167 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.204 0.595 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.497 -1.075 2.345 1.00 0.00 H new ATOM 0 HG LEU A 19 8.712 0.513 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.476 1.233 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.882 1.925 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.006 0.538 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.105 -1.020 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.634 -1.713 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.961 -1.931 1.377 1.00 0.00 H new ATOM 253 N LEU A 20 4.242 -1.161 0.115 1.00 0.00 N ATOM 254 CA LEU A 20 3.054 -2.006 0.042 1.00 0.00 C ATOM 255 C LEU A 20 2.913 -2.604 -1.355 1.00 0.00 C ATOM 256 O LEU A 20 2.410 -3.715 -1.524 1.00 0.00 O ATOM 257 CB LEU A 20 1.798 -1.194 0.363 1.00 0.00 C ATOM 258 CG LEU A 20 1.527 -1.244 1.867 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.379 -0.294 2.210 1.00 0.00 C ATOM 260 CD2 LEU A 20 1.142 -2.672 2.267 1.00 0.00 C ATOM 0 H LEU A 20 4.051 -0.159 0.139 1.00 0.00 H new ATOM 0 HA LEU A 20 3.165 -2.807 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.928 -0.161 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.944 -1.594 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 20 2.423 -0.942 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.185 -0.329 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.650 0.722 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.518 -0.597 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.948 -2.710 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.245 -2.972 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.958 -3.351 2.022 1.00 0.00 H new ATOM 272 N ARG A 21 3.368 -1.855 -2.357 1.00 0.00 N ATOM 273 CA ARG A 21 3.291 -2.316 -3.742 1.00 0.00 C ATOM 274 C ARG A 21 4.077 -3.611 -3.918 1.00 0.00 C ATOM 275 O ARG A 21 3.543 -4.622 -4.378 1.00 0.00 O ATOM 276 CB ARG A 21 3.859 -1.257 -4.690 1.00 0.00 C ATOM 277 CG ARG A 21 2.738 -0.313 -5.132 1.00 0.00 C ATOM 278 CD ARG A 21 3.334 1.035 -5.544 1.00 0.00 C ATOM 279 NE ARG A 21 4.408 0.849 -6.521 1.00 0.00 N ATOM 280 CZ ARG A 21 4.162 0.497 -7.791 1.00 0.00 C ATOM 281 NH1 ARG A 21 2.938 0.305 -8.220 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.161 0.343 -8.619 1.00 0.00 N ATOM 0 H ARG A 21 3.790 -0.934 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 21 2.242 -2.493 -3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.648 -0.694 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.309 -1.736 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.189 -0.750 -5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.025 -0.174 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.555 1.668 -5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.720 1.551 -4.665 1.00 0.00 H new ATOM 0 HE ARG A 21 5.374 0.992 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.150 0.423 -7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.774 0.038 -9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.118 0.490 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.984 0.075 -9.587 1.00 0.00 H new ATOM 296 N LYS A 22 5.352 -3.571 -3.544 1.00 0.00 N ATOM 297 CA LYS A 22 6.208 -4.748 -3.662 1.00 0.00 C ATOM 298 C LYS A 22 5.678 -5.883 -2.789 1.00 0.00 C ATOM 299 O LYS A 22 5.829 -7.060 -3.117 1.00 0.00 O ATOM 300 CB LYS A 22 7.642 -4.417 -3.238 1.00 0.00 C ATOM 301 CG LYS A 22 7.642 -3.844 -1.818 1.00 0.00 C ATOM 302 CD LYS A 22 9.084 -3.695 -1.328 1.00 0.00 C ATOM 303 CE LYS A 22 9.701 -2.430 -1.926 1.00 0.00 C ATOM 304 NZ LYS A 22 11.019 -2.168 -1.283 1.00 0.00 N ATOM 0 H LYS A 22 5.812 -2.746 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 22 6.205 -5.061 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.260 -5.314 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.079 -3.698 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.140 -2.876 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.085 -4.501 -1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.105 -3.643 -0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.669 -4.568 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.827 -2.548 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.035 -1.581 -1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.439 -1.308 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.886 -2.038 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.653 -2.975 -1.450 1.00 0.00 H new ATOM 318 N ARG A 23 5.050 -5.516 -1.674 1.00 0.00 N ATOM 319 CA ARG A 23 4.497 -6.511 -0.759 1.00 0.00 C ATOM 320 C ARG A 23 3.367 -7.281 -1.433 1.00 0.00 C ATOM 321 O ARG A 23 3.341 -8.511 -1.425 1.00 0.00 O ATOM 322 CB ARG A 23 3.960 -5.834 0.504 1.00 0.00 C ATOM 323 CG ARG A 23 4.170 -6.754 1.710 1.00 0.00 C ATOM 324 CD ARG A 23 3.073 -7.822 1.745 1.00 0.00 C ATOM 325 NE ARG A 23 3.574 -9.093 1.215 1.00 0.00 N ATOM 326 CZ ARG A 23 4.443 -9.855 1.895 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.886 -9.495 3.075 1.00 0.00 N ATOM 328 NH2 ARG A 23 4.855 -10.977 1.371 1.00 0.00 N ATOM 0 H ARG A 23 4.912 -4.548 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 23 5.295 -7.202 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.471 -4.885 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.900 -5.609 0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.150 -7.228 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.152 -6.171 2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.725 -7.960 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.216 -7.490 1.159 1.00 0.00 H new ATOM 0 HE ARG A 23 3.252 -9.408 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.570 -8.620 3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.547 -10.090 3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.516 -11.266 0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.516 -11.565 1.879 1.00 0.00 H new ATOM 342 N ARG A 24 2.429 -6.540 -2.018 1.00 0.00 N ATOM 343 CA ARG A 24 1.294 -7.159 -2.698 1.00 0.00 C ATOM 344 C ARG A 24 1.773 -8.011 -3.869 1.00 0.00 C ATOM 345 O ARG A 24 1.235 -9.086 -4.133 1.00 0.00 O ATOM 346 CB ARG A 24 0.333 -6.088 -3.220 1.00 0.00 C ATOM 347 CG ARG A 24 -0.970 -6.748 -3.672 1.00 0.00 C ATOM 348 CD ARG A 24 -2.019 -5.671 -3.953 1.00 0.00 C ATOM 349 NE ARG A 24 -3.239 -6.267 -4.502 1.00 0.00 N ATOM 350 CZ ARG A 24 -4.162 -5.537 -5.145 1.00 0.00 C ATOM 351 NH1 ARG A 24 -4.013 -4.245 -5.311 1.00 0.00 N ATOM 352 NH2 ARG A 24 -5.230 -6.123 -5.613 1.00 0.00 N ATOM 0 H ARG A 24 2.431 -5.520 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 24 0.775 -7.792 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.130 -5.355 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.788 -5.550 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.796 -7.343 -4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.331 -7.429 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.252 -5.135 -3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.618 -4.940 -4.655 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.391 -7.269 -4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.183 -3.777 -4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.727 -3.708 -5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.357 -7.127 -5.488 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.938 -5.577 -6.104 1.00 0.00 H new ATOM 366 N GLU A 25 2.792 -7.517 -4.566 1.00 0.00 N ATOM 367 CA GLU A 25 3.343 -8.240 -5.711 1.00 0.00 C ATOM 368 C GLU A 25 3.884 -9.598 -5.275 1.00 0.00 C ATOM 369 O GLU A 25 3.787 -10.585 -6.005 1.00 0.00 O ATOM 370 CB GLU A 25 4.474 -7.437 -6.357 1.00 0.00 C ATOM 371 CG GLU A 25 3.881 -6.346 -7.252 1.00 0.00 C ATOM 372 CD GLU A 25 4.987 -5.728 -8.101 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.790 -4.994 -7.551 1.00 0.00 O ATOM 374 OE2 GLU A 25 5.013 -6.000 -9.291 1.00 0.00 O ATOM 0 H GLU A 25 3.250 -6.629 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 25 2.541 -8.384 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.102 -6.989 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.113 -8.097 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.108 -6.768 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.405 -5.579 -6.641 1.00 0.00 H new ATOM 381 N GLN A 26 4.455 -9.636 -4.076 1.00 0.00 N ATOM 382 CA GLN A 26 5.013 -10.878 -3.546 1.00 0.00 C ATOM 383 C GLN A 26 3.909 -11.909 -3.337 1.00 0.00 C ATOM 384 O GLN A 26 4.069 -13.086 -3.662 1.00 0.00 O ATOM 385 CB GLN A 26 5.717 -10.622 -2.213 1.00 0.00 C ATOM 386 CG GLN A 26 6.895 -11.587 -2.063 1.00 0.00 C ATOM 387 CD GLN A 26 6.388 -12.935 -1.560 1.00 0.00 C ATOM 388 OE1 GLN A 26 5.380 -13.003 -0.857 1.00 0.00 O ATOM 389 NE2 GLN A 26 7.033 -14.023 -1.882 1.00 0.00 N ATOM 0 H GLN A 26 4.544 -8.830 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 26 5.735 -11.260 -4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.070 -9.592 -2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.017 -10.756 -1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.401 -11.711 -3.020 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.627 -11.179 -1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.868 -13.967 -2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.702 -14.929 -1.551 1.00 0.00 H new ATOM 398 N LEU A 27 2.785 -11.454 -2.790 1.00 0.00 N ATOM 399 CA LEU A 27 1.655 -12.347 -2.540 1.00 0.00 C ATOM 400 C LEU A 27 1.136 -12.927 -3.852 1.00 0.00 C ATOM 401 O LEU A 27 0.740 -14.090 -3.920 1.00 0.00 O ATOM 402 CB LEU A 27 0.520 -11.593 -1.845 1.00 0.00 C ATOM 403 CG LEU A 27 1.008 -11.066 -0.495 1.00 0.00 C ATOM 404 CD1 LEU A 27 -0.070 -10.179 0.129 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.299 -12.244 0.437 1.00 0.00 C ATOM 0 H LEU A 27 2.632 -10.484 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 27 2.000 -13.155 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.183 -10.766 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.335 -12.253 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 27 1.917 -10.483 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.279 -9.804 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.279 -9.339 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.980 -10.761 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.647 -11.869 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.389 -12.827 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.068 -12.877 -0.006 1.00 0.00 H new ATOM 417 N LYS A 28 1.143 -12.099 -4.895 1.00 0.00 N ATOM 418 CA LYS A 28 0.671 -12.538 -6.205 1.00 0.00 C ATOM 419 C LYS A 28 1.524 -13.692 -6.718 1.00 0.00 C ATOM 420 O LYS A 28 1.036 -14.586 -7.412 1.00 0.00 O ATOM 421 CB LYS A 28 0.736 -11.386 -7.211 1.00 0.00 C ATOM 422 CG LYS A 28 -0.305 -11.609 -8.311 1.00 0.00 C ATOM 423 CD LYS A 28 -0.012 -10.677 -9.488 1.00 0.00 C ATOM 424 CE LYS A 28 -0.549 -9.277 -9.176 1.00 0.00 C ATOM 425 NZ LYS A 28 0.542 -8.447 -8.591 1.00 0.00 N ATOM 0 H LYS A 28 1.466 -11.132 -4.860 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.362 -12.868 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.550 -10.438 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.733 -11.325 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.283 -12.647 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.306 -11.419 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.061 -10.634 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.477 -11.063 -10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.928 -8.810 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.384 -9.343 -8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.209 -8.008 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.366 -9.049 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.813 -7.704 -9.266 1.00 0.00 H new ATOM 439 N HIS A 29 2.807 -13.667 -6.366 1.00 0.00 N ATOM 440 CA HIS A 29 3.726 -14.717 -6.792 1.00 0.00 C ATOM 441 C HIS A 29 3.416 -16.019 -6.062 1.00 0.00 C ATOM 442 O HIS A 29 3.473 -17.102 -6.643 1.00 0.00 O ATOM 443 CB HIS A 29 5.173 -14.315 -6.499 1.00 0.00 C ATOM 444 CG HIS A 29 5.546 -13.131 -7.346 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.136 -13.005 -8.664 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.293 -12.011 -7.078 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.632 -11.847 -9.135 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.347 -11.201 -8.209 1.00 0.00 N ATOM 0 H HIS A 29 3.230 -12.938 -5.792 1.00 0.00 H new ATOM 0 HA HIS A 29 3.601 -14.860 -7.865 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.287 -14.070 -5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.843 -15.150 -6.707 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.767 -11.791 -6.133 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.472 -11.483 -10.139 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.828 -10.307 -8.309 1.00 0.00 H new ATOM 647 N LYS B 9 -4.424 14.984 -2.479 1.00 0.00 N ATOM 648 CA LYS B 9 -3.255 14.125 -2.638 1.00 0.00 C ATOM 649 C LYS B 9 -3.172 13.118 -1.496 1.00 0.00 C ATOM 650 O LYS B 9 -2.964 11.924 -1.715 1.00 0.00 O ATOM 651 CB LYS B 9 -1.974 14.962 -2.658 1.00 0.00 C ATOM 652 CG LYS B 9 -0.927 14.273 -3.536 1.00 0.00 C ATOM 653 CD LYS B 9 -1.121 14.698 -4.994 1.00 0.00 C ATOM 654 CE LYS B 9 -0.747 13.538 -5.918 1.00 0.00 C ATOM 655 NZ LYS B 9 -1.303 13.788 -7.279 1.00 0.00 N ATOM 0 HA LYS B 9 -3.356 13.593 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.185 15.960 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.591 15.084 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS B 9 0.076 14.537 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.018 13.190 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -2.157 14.992 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.502 15.568 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.337 13.435 -5.970 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.138 12.601 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -1.049 13.000 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -2.339 13.866 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.910 14.673 -7.657 1.00 0.00 H new ATOM 669 N ASN B 10 -3.337 13.615 -0.273 1.00 0.00 N ATOM 670 CA ASN B 10 -3.279 12.751 0.903 1.00 0.00 C ATOM 671 C ASN B 10 -4.396 11.713 0.859 1.00 0.00 C ATOM 672 O ASN B 10 -4.198 10.551 1.215 1.00 0.00 O ATOM 673 CB ASN B 10 -3.418 13.578 2.182 1.00 0.00 C ATOM 674 CG ASN B 10 -2.039 14.034 2.645 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.333 13.297 3.334 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.610 15.219 2.307 1.00 0.00 N ATOM 0 H ASN B 10 -3.510 14.600 -0.071 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.313 12.245 0.901 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.057 14.442 2.001 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.897 12.985 2.961 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.690 15.535 2.613 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.195 15.829 1.736 1.00 0.00 H new ATOM 683 N ASP B 11 -5.574 12.146 0.416 1.00 0.00 N ATOM 684 CA ASP B 11 -6.721 11.246 0.327 1.00 0.00 C ATOM 685 C ASP B 11 -6.431 10.110 -0.649 1.00 0.00 C ATOM 686 O ASP B 11 -6.715 8.946 -0.371 1.00 0.00 O ATOM 687 CB ASP B 11 -7.962 12.005 -0.146 1.00 0.00 C ATOM 688 CG ASP B 11 -9.190 11.113 0.000 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.474 10.706 1.114 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.829 10.849 -1.006 1.00 0.00 O ATOM 0 H ASP B 11 -5.759 13.103 0.116 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.904 10.835 1.320 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -8.089 12.916 0.439 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.841 12.308 -1.186 1.00 0.00 H new ATOM 695 N THR B 12 -5.861 10.466 -1.796 1.00 0.00 N ATOM 696 CA THR B 12 -5.532 9.470 -2.813 1.00 0.00 C ATOM 697 C THR B 12 -4.441 8.533 -2.305 1.00 0.00 C ATOM 698 O THR B 12 -4.406 7.351 -2.650 1.00 0.00 O ATOM 699 CB THR B 12 -5.047 10.150 -4.094 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.364 11.351 -3.761 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.247 10.475 -4.987 1.00 0.00 C ATOM 0 H THR B 12 -5.619 11.425 -2.044 1.00 0.00 H new ATOM 0 HA THR B 12 -6.435 8.898 -3.027 1.00 0.00 H new ATOM 0 HB THR B 12 -4.370 9.482 -4.627 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.731 11.177 -3.033 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.901 10.960 -5.900 1.00 0.00 H new ATOM 0 HG22 THR B 12 -6.771 9.554 -5.242 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.925 11.143 -4.456 1.00 0.00 H new ATOM 709 N HIS B 13 -3.548 9.074 -1.480 1.00 0.00 N ATOM 710 CA HIS B 13 -2.456 8.279 -0.928 1.00 0.00 C ATOM 711 C HIS B 13 -2.994 7.244 0.051 1.00 0.00 C ATOM 712 O HIS B 13 -2.708 6.051 -0.061 1.00 0.00 O ATOM 713 CB HIS B 13 -1.452 9.178 -0.202 1.00 0.00 C ATOM 714 CG HIS B 13 -0.551 9.841 -1.207 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.325 11.161 -1.505 1.00 0.00 N flip ATOM 716 CD2 HIS B 13 0.263 9.113 -2.062 1.00 0.00 C flip ATOM 717 CE1 HIS B 13 0.613 11.256 -2.529 1.00 0.00 C flip ATOM 718 NE2 HIS B 13 0.935 9.994 -2.827 1.00 0.00 N flip ATOM 0 H HIS B 13 -3.558 10.049 -1.182 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.957 7.773 -1.755 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.980 9.932 0.382 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.861 8.588 0.499 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.776 11.952 -1.046 1.00 0.00 H new ATOM 0 HD2 HIS B 13 0.343 8.037 -2.106 1.00 0.00 H new ATOM 0 HE1 HIS B 13 0.998 12.156 -2.985 1.00 0.00 H new ATOM 726 N GLN B 14 -3.779 7.715 1.012 1.00 0.00 N ATOM 727 CA GLN B 14 -4.363 6.828 2.018 1.00 0.00 C ATOM 728 C GLN B 14 -5.233 5.759 1.359 1.00 0.00 C ATOM 729 O GLN B 14 -5.357 4.642 1.863 1.00 0.00 O ATOM 730 CB GLN B 14 -5.219 7.627 3.003 1.00 0.00 C ATOM 731 CG GLN B 14 -5.292 6.882 4.338 1.00 0.00 C ATOM 732 CD GLN B 14 -6.021 7.744 5.363 1.00 0.00 C ATOM 733 OE1 GLN B 14 -5.423 8.626 5.980 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.291 7.541 5.583 1.00 0.00 N ATOM 0 H GLN B 14 -4.026 8.699 1.118 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.544 6.346 2.552 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -4.792 8.619 3.151 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.221 7.769 2.598 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.813 5.933 4.209 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.288 6.649 4.692 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -7.787 6.810 5.072 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.788 8.113 6.266 1.00 0.00 H new ATOM 743 N GLN B 15 -5.834 6.115 0.229 1.00 0.00 N ATOM 744 CA GLN B 15 -6.693 5.179 -0.493 1.00 0.00 C ATOM 745 C GLN B 15 -5.869 4.025 -1.057 1.00 0.00 C ATOM 746 O GLN B 15 -6.234 2.858 -0.916 1.00 0.00 O ATOM 747 CB GLN B 15 -7.410 5.888 -1.644 1.00 0.00 C ATOM 748 CG GLN B 15 -8.777 5.237 -1.871 1.00 0.00 C ATOM 749 CD GLN B 15 -9.558 6.043 -2.902 1.00 0.00 C ATOM 750 OE1 GLN B 15 -9.637 5.661 -4.070 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.148 7.149 -2.538 1.00 0.00 N ATOM 0 H GLN B 15 -5.745 7.034 -0.204 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.430 4.790 0.209 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.533 6.946 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -6.811 5.827 -2.553 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -8.650 4.211 -2.216 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.331 5.192 -0.933 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.084 7.467 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -10.673 7.695 -3.221 1.00 0.00 H new ATOM 760 N ASP B 16 -4.754 4.366 -1.698 1.00 0.00 N ATOM 761 CA ASP B 16 -3.882 3.350 -2.285 1.00 0.00 C ATOM 762 C ASP B 16 -3.358 2.403 -1.208 1.00 0.00 C ATOM 763 O ASP B 16 -3.391 1.184 -1.364 1.00 0.00 O ATOM 764 CB ASP B 16 -2.694 4.010 -2.989 1.00 0.00 C ATOM 765 CG ASP B 16 -2.278 3.164 -4.188 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.128 2.889 -5.018 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.114 2.804 -4.258 1.00 0.00 O ATOM 0 H ASP B 16 -4.435 5.326 -1.824 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.467 2.784 -3.009 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -2.964 5.014 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -1.859 4.113 -2.296 1.00 0.00 H new ATOM 772 N ILE B 17 -2.873 2.981 -0.112 1.00 0.00 N ATOM 773 CA ILE B 17 -2.339 2.184 0.992 1.00 0.00 C ATOM 774 C ILE B 17 -3.416 1.249 1.544 1.00 0.00 C ATOM 775 O ILE B 17 -3.359 0.033 1.362 1.00 0.00 O ATOM 776 CB ILE B 17 -1.815 3.121 2.112 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.395 3.574 1.759 1.00 0.00 C ATOM 778 CG2 ILE B 17 -1.787 2.414 3.484 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.456 4.894 0.988 1.00 0.00 C ATOM 0 H ILE B 17 -2.838 3.990 0.036 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.513 1.577 0.622 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.491 3.973 2.183 1.00 0.00 H new ATOM 0 HG12 ILE B 17 0.195 3.698 2.667 1.00 0.00 H new ATOM 0 HG13 ILE B 17 0.102 2.812 1.158 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.414 3.104 4.241 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.795 2.094 3.749 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.132 1.544 3.432 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.555 5.216 0.737 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.030 4.754 0.072 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.936 5.654 1.605 1.00 0.00 H new ATOM 791 N ASP B 18 -4.377 1.838 2.254 1.00 0.00 N ATOM 792 CA ASP B 18 -5.453 1.073 2.880 1.00 0.00 C ATOM 793 C ASP B 18 -6.041 0.027 1.925 1.00 0.00 C ATOM 794 O ASP B 18 -6.516 -1.026 2.354 1.00 0.00 O ATOM 795 CB ASP B 18 -6.569 2.014 3.340 1.00 0.00 C ATOM 796 CG ASP B 18 -6.314 2.444 4.781 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.329 1.583 5.646 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.109 3.625 4.999 1.00 0.00 O ATOM 0 H ASP B 18 -4.432 2.845 2.410 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.024 0.552 3.736 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.612 2.889 2.691 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.534 1.514 3.265 1.00 0.00 H new ATOM 803 N ASP B 19 -5.997 0.325 0.631 1.00 0.00 N ATOM 804 CA ASP B 19 -6.522 -0.601 -0.370 1.00 0.00 C ATOM 805 C ASP B 19 -5.561 -1.773 -0.554 1.00 0.00 C ATOM 806 O ASP B 19 -5.980 -2.922 -0.692 1.00 0.00 O ATOM 807 CB ASP B 19 -6.711 0.109 -1.714 1.00 0.00 C ATOM 808 CG ASP B 19 -7.430 -0.821 -2.686 1.00 0.00 C ATOM 809 OD1 ASP B 19 -6.859 -1.842 -3.032 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.542 -0.498 -3.073 1.00 0.00 O ATOM 0 H ASP B 19 -5.609 1.189 0.252 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.487 -0.969 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.288 1.024 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.743 0.401 -2.122 1.00 0.00 H new ATOM 815 N LEU B 20 -4.268 -1.466 -0.545 1.00 0.00 N ATOM 816 CA LEU B 20 -3.247 -2.499 -0.706 1.00 0.00 C ATOM 817 C LEU B 20 -3.213 -3.400 0.523 1.00 0.00 C ATOM 818 O LEU B 20 -3.021 -4.611 0.418 1.00 0.00 O ATOM 819 CB LEU B 20 -1.866 -1.864 -0.894 1.00 0.00 C ATOM 820 CG LEU B 20 -1.823 -1.119 -2.229 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.773 -0.009 -2.160 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.455 -2.099 -3.345 1.00 0.00 C ATOM 0 H LEU B 20 -3.903 -0.521 -0.429 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.497 -3.088 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.656 -1.176 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.094 -2.633 -0.870 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.800 -0.682 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.742 0.522 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.032 0.688 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.205 -0.445 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.424 -1.570 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.477 -2.534 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.202 -2.892 -3.394 1.00 0.00 H new ATOM 834 N LYS B 21 -3.402 -2.792 1.690 1.00 0.00 N ATOM 835 CA LYS B 21 -3.393 -3.545 2.942 1.00 0.00 C ATOM 836 C LYS B 21 -4.533 -4.557 2.964 1.00 0.00 C ATOM 837 O LYS B 21 -4.352 -5.710 3.355 1.00 0.00 O ATOM 838 CB LYS B 21 -3.543 -2.599 4.135 1.00 0.00 C ATOM 839 CG LYS B 21 -2.819 -3.186 5.347 1.00 0.00 C ATOM 840 CD LYS B 21 -1.365 -2.707 5.358 1.00 0.00 C ATOM 841 CE LYS B 21 -0.488 -3.751 6.052 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.753 -3.726 7.517 1.00 0.00 N ATOM 0 H LYS B 21 -3.562 -1.790 1.796 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.441 -4.070 3.012 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.130 -1.620 3.891 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.598 -2.451 4.365 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.320 -2.881 6.266 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.854 -4.275 5.312 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.017 -2.545 4.338 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.290 -1.751 5.876 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.697 -4.742 5.650 1.00 0.00 H new ATOM 0 HE3 LYS B 21 0.565 -3.544 5.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -0.133 -4.411 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.565 -2.773 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.747 -3.976 7.694 1.00 0.00 H new ATOM 856 N ARG B 22 -5.713 -4.110 2.540 1.00 0.00 N ATOM 857 CA ARG B 22 -6.882 -4.982 2.513 1.00 0.00 C ATOM 858 C ARG B 22 -6.653 -6.151 1.561 1.00 0.00 C ATOM 859 O ARG B 22 -7.102 -7.270 1.809 1.00 0.00 O ATOM 860 CB ARG B 22 -8.117 -4.202 2.057 1.00 0.00 C ATOM 861 CG ARG B 22 -8.689 -3.418 3.239 1.00 0.00 C ATOM 862 CD ARG B 22 -10.211 -3.332 3.105 1.00 0.00 C ATOM 863 NE ARG B 22 -10.715 -2.100 3.716 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.011 -1.933 4.022 1.00 0.00 C ATOM 865 NH1 ARG B 22 -12.892 -2.876 3.786 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.402 -0.813 4.565 1.00 0.00 N ATOM 0 H ARG B 22 -5.883 -3.159 2.214 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.043 -5.362 3.522 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.852 -3.520 1.249 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.868 -4.887 1.663 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.423 -3.907 4.176 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.259 -2.417 3.268 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.491 -3.363 2.052 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.673 -4.196 3.583 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.060 -1.344 3.915 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.596 -3.756 3.363 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -13.872 -2.730 4.026 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.725 -0.074 4.753 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.385 -0.677 4.801 1.00 0.00 H new ATOM 880 N GLN B 23 -5.945 -5.880 0.469 1.00 0.00 N ATOM 881 CA GLN B 23 -5.659 -6.916 -0.520 1.00 0.00 C ATOM 882 C GLN B 23 -4.522 -7.812 -0.037 1.00 0.00 C ATOM 883 O GLN B 23 -4.566 -9.032 -0.194 1.00 0.00 O ATOM 884 CB GLN B 23 -5.263 -6.287 -1.857 1.00 0.00 C ATOM 885 CG GLN B 23 -6.513 -6.086 -2.717 1.00 0.00 C ATOM 886 CD GLN B 23 -6.937 -7.422 -3.316 1.00 0.00 C ATOM 887 OE1 GLN B 23 -6.782 -8.469 -2.686 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.470 -7.451 -4.507 1.00 0.00 N ATOM 0 H GLN B 23 -5.562 -4.961 0.247 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.562 -7.512 -0.654 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.767 -5.331 -1.689 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.551 -6.929 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.321 -5.673 -2.113 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.310 -5.367 -3.511 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.599 -6.584 -5.029 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.758 -8.340 -4.915 1.00 0.00 H new ATOM 897 N ASN B 24 -3.504 -7.191 0.552 1.00 0.00 N ATOM 898 CA ASN B 24 -2.358 -7.941 1.057 1.00 0.00 C ATOM 899 C ASN B 24 -2.777 -8.848 2.208 1.00 0.00 C ATOM 900 O ASN B 24 -2.234 -9.937 2.389 1.00 0.00 O ATOM 901 CB ASN B 24 -1.264 -6.987 1.544 1.00 0.00 C ATOM 902 CG ASN B 24 -0.552 -6.356 0.347 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.804 -6.720 -0.802 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.333 -5.420 0.553 1.00 0.00 N ATOM 0 H ASN B 24 -3.448 -6.182 0.690 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.970 -8.550 0.240 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.700 -6.209 2.170 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.546 -7.528 2.161 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.815 -4.991 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.543 -5.117 1.504 1.00 0.00 H new ATOM 911 N ALA B 25 -3.751 -8.385 2.985 1.00 0.00 N ATOM 912 CA ALA B 25 -4.241 -9.161 4.120 1.00 0.00 C ATOM 913 C ALA B 25 -5.240 -10.216 3.653 1.00 0.00 C ATOM 914 O ALA B 25 -5.246 -11.345 4.142 1.00 0.00 O ATOM 915 CB ALA B 25 -4.922 -8.248 5.141 1.00 0.00 C ATOM 0 H ALA B 25 -4.213 -7.485 2.852 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.386 -9.650 4.586 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.281 -8.844 5.980 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.207 -7.508 5.501 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.764 -7.740 4.670 1.00 0.00 H new ATOM 921 N LEU B 26 -6.085 -9.834 2.700 1.00 0.00 N ATOM 922 CA LEU B 26 -7.087 -10.753 2.171 1.00 0.00 C ATOM 923 C LEU B 26 -6.429 -11.822 1.304 1.00 0.00 C ATOM 924 O LEU B 26 -6.848 -12.979 1.294 1.00 0.00 O ATOM 925 CB LEU B 26 -8.120 -9.997 1.330 1.00 0.00 C ATOM 926 CG LEU B 26 -9.296 -10.922 1.014 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.281 -10.915 2.184 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.003 -10.432 -0.250 1.00 0.00 C ATOM 0 H LEU B 26 -6.097 -8.904 2.282 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.584 -11.227 3.017 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.470 -9.117 1.870 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.663 -9.643 0.406 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.928 -11.936 0.856 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -11.119 -11.574 1.958 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.777 -11.264 3.086 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.650 -9.902 2.343 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.842 -11.091 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.370 -9.418 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.302 -10.438 -1.084 1.00 0.00 H new ATOM 940 N LEU B 27 -5.392 -11.420 0.575 1.00 0.00 N ATOM 941 CA LEU B 27 -4.679 -12.353 -0.295 1.00 0.00 C ATOM 942 C LEU B 27 -3.974 -13.421 0.534 1.00 0.00 C ATOM 943 O LEU B 27 -4.208 -14.617 0.359 1.00 0.00 O ATOM 944 CB LEU B 27 -3.639 -11.612 -1.139 1.00 0.00 C ATOM 945 CG LEU B 27 -4.333 -10.917 -2.312 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.331 -10.020 -3.040 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.870 -11.972 -3.283 1.00 0.00 C ATOM 0 H LEU B 27 -5.029 -10.467 0.568 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.410 -12.825 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.115 -10.878 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.890 -12.312 -1.509 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.158 -10.311 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.826 -9.525 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.946 -9.269 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.506 -10.626 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.365 -11.478 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.044 -12.577 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.584 -12.613 -2.766 1.00 0.00 H new ATOM 959 N GLU B 28 -3.107 -12.976 1.440 1.00 0.00 N ATOM 960 CA GLU B 28 -2.365 -13.899 2.299 1.00 0.00 C ATOM 961 C GLU B 28 -3.323 -14.772 3.109 1.00 0.00 C ATOM 962 O GLU B 28 -3.134 -15.982 3.225 1.00 0.00 O ATOM 963 CB GLU B 28 -1.466 -13.118 3.263 1.00 0.00 C ATOM 964 CG GLU B 28 -0.574 -14.090 4.044 1.00 0.00 C ATOM 965 CD GLU B 28 0.801 -14.166 3.386 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.578 -13.244 3.573 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.055 -15.145 2.703 1.00 0.00 O ATOM 0 H GLU B 28 -2.901 -11.990 1.599 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.753 -14.536 1.660 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.850 -12.411 2.708 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.077 -12.536 3.953 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.476 -13.758 5.078 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -1.031 -15.079 4.069 1.00 0.00 H new ATOM 974 N GLN B 29 -4.353 -14.140 3.667 1.00 0.00 N ATOM 975 CA GLN B 29 -5.344 -14.861 4.470 1.00 0.00 C ATOM 976 C GLN B 29 -5.954 -16.014 3.671 1.00 0.00 C ATOM 977 O GLN B 29 -6.312 -17.053 4.226 1.00 0.00 O ATOM 978 CB GLN B 29 -6.465 -13.917 4.911 1.00 0.00 C ATOM 979 CG GLN B 29 -6.096 -13.276 6.250 1.00 0.00 C ATOM 980 CD GLN B 29 -7.354 -12.739 6.921 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.205 -12.135 6.268 1.00 0.00 O ATOM 982 NE2 GLN B 29 -7.526 -12.925 8.201 1.00 0.00 N ATOM 0 H GLN B 29 -4.525 -13.138 3.581 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.834 -15.259 5.347 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.622 -13.145 4.158 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.402 -14.467 5.005 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.612 -14.009 6.895 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.381 -12.468 6.094 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -6.821 -13.425 8.743 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.365 -12.570 8.660 1.00 0.00 H new ATOM 991 N GLN B 30 -6.059 -15.817 2.360 1.00 0.00 N ATOM 992 CA GLN B 30 -6.618 -16.845 1.488 1.00 0.00 C ATOM 993 C GLN B 30 -5.527 -17.822 1.061 1.00 0.00 C ATOM 994 O GLN B 30 -5.749 -19.029 0.979 1.00 0.00 O ATOM 995 CB GLN B 30 -7.238 -16.213 0.240 1.00 0.00 C ATOM 996 CG GLN B 30 -8.629 -15.673 0.578 1.00 0.00 C ATOM 997 CD GLN B 30 -9.383 -15.365 -0.711 1.00 0.00 C ATOM 998 OE1 GLN B 30 -9.620 -14.202 -1.037 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.777 -16.349 -1.473 1.00 0.00 N ATOM 0 H GLN B 30 -5.768 -14.964 1.882 1.00 0.00 H new ATOM 0 HA GLN B 30 -7.391 -17.377 2.043 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.602 -15.407 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -7.307 -16.952 -0.558 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -9.181 -16.404 1.169 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -8.543 -14.772 1.186 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -9.581 -17.313 -1.203 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.281 -16.154 -2.338 1.00 0.00 H new ATOM 1008 N VAL B 31 -4.341 -17.279 0.794 1.00 0.00 N ATOM 1009 CA VAL B 31 -3.210 -18.102 0.379 1.00 0.00 C ATOM 1010 C VAL B 31 -2.847 -19.098 1.480 1.00 0.00 C ATOM 1011 O VAL B 31 -2.398 -20.211 1.206 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.995 -17.214 0.072 1.00 0.00 C ATOM 1013 CG1 VAL B 31 -0.840 -18.074 -0.456 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -2.377 -16.166 -0.984 1.00 0.00 C ATOM 0 H VAL B 31 -4.140 -16.281 0.857 1.00 0.00 H new ATOM 0 HA VAL B 31 -3.493 -18.650 -0.520 1.00 0.00 H new ATOM 0 HB VAL B 31 -1.680 -16.712 0.987 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.018 -17.438 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -0.564 -18.813 0.296 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -1.153 -18.583 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -1.514 -15.537 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -2.698 -16.669 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -3.191 -15.548 -0.605 1.00 0.00 H new ATOM 1024 N ARG B 32 -3.045 -18.683 2.727 1.00 0.00 N ATOM 1025 CA ARG B 32 -2.735 -19.544 3.865 1.00 0.00 C ATOM 1026 C ARG B 32 -3.771 -20.657 3.998 1.00 0.00 C ATOM 1027 O ARG B 32 -3.464 -21.756 4.458 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.709 -18.731 5.161 1.00 0.00 C ATOM 1029 CG ARG B 32 -2.084 -19.569 6.278 1.00 0.00 C ATOM 1030 CD ARG B 32 -0.560 -19.453 6.211 1.00 0.00 C ATOM 1031 NE ARG B 32 0.028 -19.596 7.545 1.00 0.00 N ATOM 1032 CZ ARG B 32 0.073 -20.776 8.182 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -0.412 -21.864 7.634 1.00 0.00 N ATOM 1034 NH2 ARG B 32 0.610 -20.840 9.370 1.00 0.00 N ATOM 0 H ARG B 32 -3.415 -17.765 2.975 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.753 -19.984 3.691 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.137 -17.815 5.016 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -3.721 -18.435 5.437 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -2.443 -19.227 7.248 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -2.385 -20.612 6.177 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -0.160 -20.220 5.548 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -0.282 -18.488 5.787 1.00 0.00 H new ATOM 0 HE ARG B 32 0.416 -18.772 8.004 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -0.834 -21.823 6.706 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -0.368 -22.751 8.136 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.990 -19.999 9.804 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.650 -21.731 9.864 1.00 0.00 H new ATOM 1048 N ALA B 33 -5.002 -20.358 3.592 1.00 0.00 N ATOM 1049 CA ALA B 33 -6.078 -21.344 3.673 1.00 0.00 C ATOM 1050 C ALA B 33 -6.302 -22.014 2.320 1.00 0.00 C ATOM 1051 O ALA B 33 -7.418 -22.410 1.986 1.00 0.00 O ATOM 1052 CB ALA B 33 -7.381 -20.677 4.119 1.00 0.00 C ATOM 0 H ALA B 33 -5.278 -19.454 3.208 1.00 0.00 H new ATOM 0 HA ALA B 33 -5.784 -22.098 4.403 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -8.172 -21.425 4.174 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -7.241 -20.224 5.100 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -7.660 -19.906 3.400 1.00 0.00 H new ATOM 1058 N LEU B 34 -5.225 -22.139 1.546 1.00 0.00 N ATOM 1059 CA LEU B 34 -5.314 -22.767 0.230 1.00 0.00 C ATOM 1060 C LEU B 34 -3.953 -23.324 -0.182 1.00 0.00 C ATOM 1061 O LEU B 34 -2.981 -23.237 0.569 1.00 0.00 O ATOM 1062 CB LEU B 34 -5.784 -21.750 -0.821 1.00 0.00 C ATOM 1063 CG LEU B 34 -7.280 -21.936 -1.090 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -7.926 -20.576 -1.357 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -7.470 -22.839 -2.311 1.00 0.00 C ATOM 0 H LEU B 34 -4.292 -21.818 1.803 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.037 -23.581 0.289 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.591 -20.736 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.220 -21.881 -1.745 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.750 -22.395 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.991 -20.710 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.792 -19.932 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.457 -20.115 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -8.535 -22.972 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.999 -22.380 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -7.012 -23.810 -2.121 1.00 0.00 H new