USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=3 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= -0.176 X(o=-0.18,f=-0.44) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 83:sc= 1.21 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.27) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.23) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.413 K(o=-0.41,f=-3.4!) USER MOD Single : B 12 THR OG1 : rot -33:sc= 0.873 USER MOD Single : B 13 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.35) USER MOD Single : B 14 GLN : amide:sc= 0.0104 K(o=0.01,f=-0.77) 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 :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : B 24 ASN : amide:sc= -2.79 K(o=-2.8,f=-7.2!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : B 30 GLN : amide:sc= -2.32 K(o=-2.3,f=-3.6) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.363 17.557 4.104 1.00 0.00 N ATOM 48 CA GLN A 7 5.450 17.187 3.203 1.00 0.00 C ATOM 49 C GLN A 7 6.031 15.833 3.597 1.00 0.00 C ATOM 50 O GLN A 7 6.419 15.035 2.744 1.00 0.00 O ATOM 51 CB GLN A 7 6.563 18.236 3.245 1.00 0.00 C ATOM 52 CG GLN A 7 7.416 18.127 1.979 1.00 0.00 C ATOM 53 CD GLN A 7 6.623 18.645 0.785 1.00 0.00 C ATOM 54 OE1 GLN A 7 6.047 19.732 0.837 1.00 0.00 O ATOM 55 NE2 GLN A 7 6.557 17.924 -0.301 1.00 0.00 N ATOM 0 HA GLN A 7 5.043 17.130 2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.133 19.235 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.184 18.088 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.335 18.702 2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.708 17.090 1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.034 17.023 -0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.029 18.261 -1.106 1.00 0.00 H new ATOM 64 N ALA A 8 6.084 15.582 4.903 1.00 0.00 N ATOM 65 CA ALA A 8 6.617 14.320 5.405 1.00 0.00 C ATOM 66 C ALA A 8 5.636 13.183 5.139 1.00 0.00 C ATOM 67 O ALA A 8 6.028 12.080 4.759 1.00 0.00 O ATOM 68 CB ALA A 8 6.880 14.409 6.909 1.00 0.00 C ATOM 0 H ALA A 8 5.768 16.229 5.626 1.00 0.00 H new ATOM 0 HA ALA A 8 7.554 14.121 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.277 13.459 7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.602 15.201 7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.948 14.631 7.429 1.00 0.00 H new ATOM 74 N GLU A 9 4.353 13.467 5.341 1.00 0.00 N ATOM 75 CA GLU A 9 3.314 12.463 5.120 1.00 0.00 C ATOM 76 C GLU A 9 3.156 12.181 3.628 1.00 0.00 C ATOM 77 O GLU A 9 2.852 11.059 3.223 1.00 0.00 O ATOM 78 CB GLU A 9 1.975 12.943 5.681 1.00 0.00 C ATOM 79 CG GLU A 9 1.050 11.743 5.890 1.00 0.00 C ATOM 80 CD GLU A 9 1.442 11.016 7.172 1.00 0.00 C ATOM 81 OE1 GLU A 9 1.480 11.660 8.207 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.697 9.825 7.100 1.00 0.00 O ATOM 0 H GLU A 9 4.009 14.375 5.654 1.00 0.00 H new ATOM 0 HA GLU A 9 3.614 11.550 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.130 13.465 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.515 13.655 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.014 12.075 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.119 11.065 5.039 1.00 0.00 H new ATOM 89 N GLU A 10 3.368 13.214 2.817 1.00 0.00 N ATOM 90 CA GLU A 10 3.247 13.071 1.369 1.00 0.00 C ATOM 91 C GLU A 10 4.272 12.070 0.847 1.00 0.00 C ATOM 92 O GLU A 10 3.930 11.112 0.155 1.00 0.00 O ATOM 93 CB GLU A 10 3.466 14.417 0.677 1.00 0.00 C ATOM 94 CG GLU A 10 2.868 14.371 -0.731 1.00 0.00 C ATOM 95 CD GLU A 10 3.550 15.416 -1.607 1.00 0.00 C ATOM 96 OE1 GLU A 10 4.700 15.210 -1.955 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.911 16.409 -1.917 1.00 0.00 O ATOM 0 H GLU A 10 3.622 14.150 3.133 1.00 0.00 H new ATOM 0 HA GLU A 10 2.242 12.711 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.001 15.215 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.531 14.641 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.000 13.378 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.795 14.560 -0.689 1.00 0.00 H new ATOM 104 N GLN A 11 5.536 12.305 1.186 1.00 0.00 N ATOM 105 CA GLN A 11 6.612 11.420 0.746 1.00 0.00 C ATOM 106 C GLN A 11 6.401 10.009 1.293 1.00 0.00 C ATOM 107 O GLN A 11 6.792 9.023 0.666 1.00 0.00 O ATOM 108 CB GLN A 11 7.969 11.943 1.226 1.00 0.00 C ATOM 109 CG GLN A 11 7.945 12.129 2.744 1.00 0.00 C ATOM 110 CD GLN A 11 9.354 12.428 3.242 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.699 13.583 3.495 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.198 11.445 3.402 1.00 0.00 N ATOM 0 H GLN A 11 5.840 13.093 1.758 1.00 0.00 H new ATOM 0 HA GLN A 11 6.599 11.393 -0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.757 11.243 0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.197 12.890 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.273 12.945 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.561 11.230 3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.912 10.488 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.143 11.634 3.737 1.00 0.00 H new ATOM 121 N LYS A 12 5.784 9.924 2.466 1.00 0.00 N ATOM 122 CA LYS A 12 5.528 8.628 3.090 1.00 0.00 C ATOM 123 C LYS A 12 4.412 7.893 2.354 1.00 0.00 C ATOM 124 O LYS A 12 4.505 6.694 2.092 1.00 0.00 O ATOM 125 CB LYS A 12 5.125 8.807 4.554 1.00 0.00 C ATOM 126 CG LYS A 12 6.381 8.858 5.427 1.00 0.00 C ATOM 127 CD LYS A 12 6.785 7.435 5.822 1.00 0.00 C ATOM 128 CE LYS A 12 8.226 7.438 6.336 1.00 0.00 C ATOM 129 NZ LYS A 12 8.254 7.965 7.731 1.00 0.00 N ATOM 0 H LYS A 12 5.454 10.727 3.001 1.00 0.00 H new ATOM 0 HA LYS A 12 6.446 8.043 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.548 9.724 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.484 7.984 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.194 9.341 4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.193 9.455 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.114 7.056 6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.695 6.769 4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.635 6.428 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.853 8.053 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.233 7.968 8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.879 8.935 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.669 7.360 8.342 1.00 0.00 H new ATOM 143 N LEU A 13 3.351 8.626 2.024 1.00 0.00 N ATOM 144 CA LEU A 13 2.215 8.035 1.319 1.00 0.00 C ATOM 145 C LEU A 13 2.655 7.476 -0.032 1.00 0.00 C ATOM 146 O LEU A 13 2.167 6.438 -0.478 1.00 0.00 O ATOM 147 CB LEU A 13 1.122 9.083 1.093 1.00 0.00 C ATOM 148 CG LEU A 13 0.364 9.318 2.400 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.341 10.675 2.344 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.676 8.212 2.592 1.00 0.00 C ATOM 0 H LEU A 13 3.254 9.620 2.231 1.00 0.00 H new ATOM 0 HA LEU A 13 1.822 7.226 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.564 10.016 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.435 8.746 0.317 1.00 0.00 H new ATOM 0 HG LEU A 13 1.066 9.307 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.882 10.843 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.399 11.464 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.043 10.686 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.217 8.379 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.378 8.224 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.175 7.245 2.631 1.00 0.00 H new ATOM 162 N ILE A 14 3.582 8.178 -0.677 1.00 0.00 N ATOM 163 CA ILE A 14 4.083 7.744 -1.978 1.00 0.00 C ATOM 164 C ILE A 14 4.973 6.514 -1.821 1.00 0.00 C ATOM 165 O ILE A 14 4.735 5.475 -2.439 1.00 0.00 O ATOM 166 CB ILE A 14 4.887 8.868 -2.641 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.023 10.127 -2.728 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.308 8.443 -4.052 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.922 11.358 -2.848 1.00 0.00 C ATOM 0 H ILE A 14 3.998 9.040 -0.325 1.00 0.00 H new ATOM 0 HA ILE A 14 3.228 7.493 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 14 5.777 9.073 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.357 10.065 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.392 10.210 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.879 9.246 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.924 7.546 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.420 8.235 -4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.305 12.254 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.569 11.423 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.534 11.276 -3.746 1.00 0.00 H new ATOM 181 N SER A 15 6.004 6.645 -0.993 1.00 0.00 N ATOM 182 CA SER A 15 6.931 5.541 -0.764 1.00 0.00 C ATOM 183 C SER A 15 6.201 4.332 -0.186 1.00 0.00 C ATOM 184 O SER A 15 6.470 3.190 -0.559 1.00 0.00 O ATOM 185 CB SER A 15 8.039 5.962 0.200 1.00 0.00 C ATOM 186 OG SER A 15 8.602 7.191 -0.237 1.00 0.00 O ATOM 0 H SER A 15 6.218 7.496 -0.473 1.00 0.00 H new ATOM 0 HA SER A 15 7.369 5.271 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.638 6.071 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.809 5.192 0.245 1.00 0.00 H new ATOM 0 HG SER A 15 8.048 7.935 0.078 1.00 0.00 H new ATOM 192 N GLU A 16 5.273 4.597 0.731 1.00 0.00 N ATOM 193 CA GLU A 16 4.506 3.523 1.357 1.00 0.00 C ATOM 194 C GLU A 16 3.697 2.763 0.310 1.00 0.00 C ATOM 195 O GLU A 16 3.468 1.559 0.435 1.00 0.00 O ATOM 196 CB GLU A 16 3.552 4.089 2.411 1.00 0.00 C ATOM 197 CG GLU A 16 2.915 2.941 3.196 1.00 0.00 C ATOM 198 CD GLU A 16 2.143 3.504 4.385 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.226 4.275 4.159 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.479 3.153 5.504 1.00 0.00 O ATOM 0 H GLU A 16 5.036 5.535 1.054 1.00 0.00 H new ATOM 0 HA GLU A 16 5.211 2.842 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.093 4.750 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.778 4.688 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.246 2.373 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.685 2.252 3.542 1.00 0.00 H new ATOM 207 N GLU A 17 3.266 3.479 -0.725 1.00 0.00 N ATOM 208 CA GLU A 17 2.481 2.863 -1.792 1.00 0.00 C ATOM 209 C GLU A 17 3.362 1.954 -2.644 1.00 0.00 C ATOM 210 O GLU A 17 2.962 0.851 -3.017 1.00 0.00 O ATOM 211 CB GLU A 17 1.859 3.935 -2.687 1.00 0.00 C ATOM 212 CG GLU A 17 0.740 3.313 -3.526 1.00 0.00 C ATOM 213 CD GLU A 17 0.666 4.017 -4.877 1.00 0.00 C ATOM 214 OE1 GLU A 17 1.508 3.738 -5.716 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.234 4.823 -5.054 1.00 0.00 O ATOM 0 H GLU A 17 3.444 4.476 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 17 1.689 2.273 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.463 4.747 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.619 4.366 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.926 2.249 -3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.213 3.403 -3.004 1.00 0.00 H new ATOM 222 N ASP A 18 4.566 2.430 -2.945 1.00 0.00 N ATOM 223 CA ASP A 18 5.502 1.655 -3.756 1.00 0.00 C ATOM 224 C ASP A 18 5.878 0.360 -3.043 1.00 0.00 C ATOM 225 O ASP A 18 6.001 -0.696 -3.667 1.00 0.00 O ATOM 226 CB ASP A 18 6.772 2.462 -4.026 1.00 0.00 C ATOM 227 CG ASP A 18 7.519 1.855 -5.209 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.017 0.751 -5.067 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.581 2.502 -6.241 1.00 0.00 O ATOM 0 H ASP A 18 4.915 3.340 -2.644 1.00 0.00 H new ATOM 0 HA ASP A 18 5.014 1.421 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.518 3.501 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.409 2.463 -3.142 1.00 0.00 H new ATOM 234 N LEU A 19 6.059 0.451 -1.729 1.00 0.00 N ATOM 235 CA LEU A 19 6.425 -0.719 -0.937 1.00 0.00 C ATOM 236 C LEU A 19 5.323 -1.773 -1.004 1.00 0.00 C ATOM 237 O LEU A 19 5.593 -2.974 -1.016 1.00 0.00 O ATOM 238 CB LEU A 19 6.648 -0.327 0.525 1.00 0.00 C ATOM 239 CG LEU A 19 7.497 -1.395 1.217 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.980 -1.047 1.063 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.139 -1.446 2.704 1.00 0.00 C ATOM 0 H LEU A 19 5.960 1.314 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 19 7.347 -1.129 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.146 0.641 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.690 -0.223 1.035 1.00 0.00 H new ATOM 0 HG LEU A 19 7.301 -2.366 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.585 -1.808 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.237 -1.009 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.175 -0.076 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.743 -2.207 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.335 -0.475 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.083 -1.693 2.816 1.00 0.00 H new ATOM 253 N LEU A 20 4.078 -1.308 -1.045 1.00 0.00 N ATOM 254 CA LEU A 20 2.938 -2.219 -1.111 1.00 0.00 C ATOM 255 C LEU A 20 2.862 -2.883 -2.482 1.00 0.00 C ATOM 256 O LEU A 20 2.474 -4.045 -2.605 1.00 0.00 O ATOM 257 CB LEU A 20 1.634 -1.464 -0.848 1.00 0.00 C ATOM 258 CG LEU A 20 1.324 -1.481 0.651 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.569 -0.208 1.032 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.461 -2.703 0.976 1.00 0.00 C ATOM 0 H LEU A 20 3.833 -0.318 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 20 3.075 -2.984 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.720 -0.436 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.817 -1.924 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 20 2.256 -1.531 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.349 -0.221 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.182 0.662 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.363 -0.156 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.239 -2.718 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.470 -2.651 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.999 -3.611 0.705 1.00 0.00 H new ATOM 272 N ARG A 21 3.238 -2.130 -3.513 1.00 0.00 N ATOM 273 CA ARG A 21 3.209 -2.654 -4.876 1.00 0.00 C ATOM 274 C ARG A 21 4.147 -3.850 -5.007 1.00 0.00 C ATOM 275 O ARG A 21 3.794 -4.874 -5.592 1.00 0.00 O ATOM 276 CB ARG A 21 3.636 -1.574 -5.873 1.00 0.00 C ATOM 277 CG ARG A 21 2.544 -0.505 -5.965 1.00 0.00 C ATOM 278 CD ARG A 21 2.700 0.273 -7.272 1.00 0.00 C ATOM 279 NE ARG A 21 4.059 0.810 -7.396 1.00 0.00 N ATOM 280 CZ ARG A 21 4.530 1.296 -8.552 1.00 0.00 C ATOM 281 NH1 ARG A 21 3.791 1.312 -9.636 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.749 1.762 -8.601 1.00 0.00 N ATOM 0 H ARG A 21 3.563 -1.166 -3.433 1.00 0.00 H new ATOM 0 HA ARG A 21 2.188 -2.967 -5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.576 -1.123 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.810 -2.017 -6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.560 -0.971 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.612 0.174 -5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.483 -0.380 -8.118 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.977 1.088 -7.304 1.00 0.00 H new ATOM 0 HE ARG A 21 4.665 0.814 -6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.838 0.950 -9.609 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.170 1.687 -10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.332 1.753 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.118 2.134 -9.476 1.00 0.00 H new ATOM 296 N LYS A 22 5.348 -3.707 -4.454 1.00 0.00 N ATOM 297 CA LYS A 22 6.334 -4.781 -4.511 1.00 0.00 C ATOM 298 C LYS A 22 5.900 -5.947 -3.629 1.00 0.00 C ATOM 299 O LYS A 22 6.169 -7.110 -3.933 1.00 0.00 O ATOM 300 CB LYS A 22 7.700 -4.279 -4.038 1.00 0.00 C ATOM 301 CG LYS A 22 8.797 -5.207 -4.564 1.00 0.00 C ATOM 302 CD LYS A 22 10.105 -4.425 -4.702 1.00 0.00 C ATOM 303 CE LYS A 22 10.923 -4.997 -5.860 1.00 0.00 C ATOM 304 NZ LYS A 22 12.306 -4.444 -5.812 1.00 0.00 N ATOM 0 H LYS A 22 5.660 -2.867 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 22 6.410 -5.116 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.868 -3.262 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.729 -4.245 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.934 -6.048 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.505 -5.622 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.893 -3.370 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.676 -4.485 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.952 -6.085 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.452 -4.746 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.863 -4.833 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.269 -3.408 -5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.753 -4.705 -4.910 1.00 0.00 H new ATOM 318 N ARG A 23 5.225 -5.622 -2.530 1.00 0.00 N ATOM 319 CA ARG A 23 4.754 -6.648 -1.603 1.00 0.00 C ATOM 320 C ARG A 23 3.583 -7.416 -2.209 1.00 0.00 C ATOM 321 O ARG A 23 3.462 -8.628 -2.036 1.00 0.00 O ATOM 322 CB ARG A 23 4.305 -6.012 -0.286 1.00 0.00 C ATOM 323 CG ARG A 23 4.082 -7.106 0.759 1.00 0.00 C ATOM 324 CD ARG A 23 3.128 -6.595 1.840 1.00 0.00 C ATOM 325 NE ARG A 23 3.329 -7.324 3.093 1.00 0.00 N ATOM 326 CZ ARG A 23 4.362 -7.070 3.910 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.244 -6.144 3.621 1.00 0.00 N ATOM 328 NH2 ARG A 23 4.490 -7.755 5.013 1.00 0.00 N ATOM 0 H ARG A 23 4.993 -4.666 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 23 5.579 -7.335 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.059 -5.307 0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.386 -5.446 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.668 -7.996 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.033 -7.395 1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.292 -5.530 2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.097 -6.712 1.507 1.00 0.00 H new ATOM 0 HE ARG A 23 2.661 -8.050 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.151 -5.602 2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.023 -5.966 4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.808 -8.476 5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.272 -7.569 5.641 1.00 0.00 H new ATOM 342 N ARG A 24 2.724 -6.693 -2.924 1.00 0.00 N ATOM 343 CA ARG A 24 1.561 -7.314 -3.555 1.00 0.00 C ATOM 344 C ARG A 24 2.004 -8.359 -4.574 1.00 0.00 C ATOM 345 O ARG A 24 1.354 -9.390 -4.751 1.00 0.00 O ATOM 346 CB ARG A 24 0.708 -6.260 -4.260 1.00 0.00 C ATOM 347 CG ARG A 24 -0.619 -6.882 -4.697 1.00 0.00 C ATOM 348 CD ARG A 24 -1.611 -5.776 -5.056 1.00 0.00 C ATOM 349 NE ARG A 24 -2.756 -6.324 -5.788 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.680 -6.660 -7.084 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.564 -6.513 -7.760 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.733 -7.141 -7.683 1.00 0.00 N ATOM 0 H ARG A 24 2.809 -5.689 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 24 0.971 -7.794 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.524 -5.419 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.240 -5.867 -5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.461 -7.535 -5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.023 -7.501 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.956 -5.282 -4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.115 -5.018 -5.662 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.640 -6.454 -5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.735 -6.137 -7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.526 -6.774 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.604 -7.259 -7.166 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.686 -7.400 -8.669 1.00 0.00 H new ATOM 366 N GLU A 25 3.119 -8.081 -5.242 1.00 0.00 N ATOM 367 CA GLU A 25 3.646 -9.002 -6.245 1.00 0.00 C ATOM 368 C GLU A 25 4.286 -10.213 -5.572 1.00 0.00 C ATOM 369 O GLU A 25 4.052 -11.356 -5.966 1.00 0.00 O ATOM 370 CB GLU A 25 4.693 -8.305 -7.116 1.00 0.00 C ATOM 371 CG GLU A 25 3.995 -7.386 -8.118 1.00 0.00 C ATOM 372 CD GLU A 25 5.005 -6.898 -9.152 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.092 -6.516 -8.752 1.00 0.00 O ATOM 374 OE2 GLU A 25 4.675 -6.914 -10.327 1.00 0.00 O ATOM 0 H GLU A 25 3.671 -7.234 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 25 2.815 -9.330 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.375 -7.728 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.294 -9.046 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.182 -7.919 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.550 -6.537 -7.600 1.00 0.00 H new ATOM 381 N GLN A 26 5.096 -9.948 -4.552 1.00 0.00 N ATOM 382 CA GLN A 26 5.768 -11.023 -3.827 1.00 0.00 C ATOM 383 C GLN A 26 4.746 -11.920 -3.136 1.00 0.00 C ATOM 384 O GLN A 26 4.902 -13.139 -3.087 1.00 0.00 O ATOM 385 CB GLN A 26 6.718 -10.446 -2.774 1.00 0.00 C ATOM 386 CG GLN A 26 7.857 -11.434 -2.518 1.00 0.00 C ATOM 387 CD GLN A 26 9.092 -10.676 -2.043 1.00 0.00 C ATOM 388 OE1 GLN A 26 9.567 -9.762 -2.720 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.648 -11.002 -0.909 1.00 0.00 N ATOM 0 H GLN A 26 5.302 -9.009 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 26 6.338 -11.610 -4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.120 -9.492 -3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.177 -10.251 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.556 -12.166 -1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.085 -11.987 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.256 -11.758 -0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.475 -10.501 -0.584 1.00 0.00 H new ATOM 398 N LEU A 27 3.697 -11.300 -2.603 1.00 0.00 N ATOM 399 CA LEU A 27 2.650 -12.049 -1.915 1.00 0.00 C ATOM 400 C LEU A 27 1.965 -13.014 -2.880 1.00 0.00 C ATOM 401 O LEU A 27 1.643 -14.147 -2.523 1.00 0.00 O ATOM 402 CB LEU A 27 1.602 -11.098 -1.335 1.00 0.00 C ATOM 403 CG LEU A 27 2.073 -10.590 0.029 1.00 0.00 C ATOM 404 CD1 LEU A 27 1.283 -9.338 0.409 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.844 -11.676 1.083 1.00 0.00 C ATOM 0 H LEU A 27 3.550 -10.291 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 27 3.116 -12.611 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.443 -10.259 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.646 -11.612 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 27 3.135 -10.348 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.619 -8.977 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.444 -8.564 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.221 -9.579 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.179 -11.316 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.782 -11.918 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.407 -12.569 0.813 1.00 0.00 H new ATOM 417 N LYS A 28 1.747 -12.549 -4.106 1.00 0.00 N ATOM 418 CA LYS A 28 1.099 -13.378 -5.120 1.00 0.00 C ATOM 419 C LYS A 28 2.029 -14.506 -5.558 1.00 0.00 C ATOM 420 O LYS A 28 1.602 -15.645 -5.741 1.00 0.00 O ATOM 421 CB LYS A 28 0.726 -12.535 -6.342 1.00 0.00 C ATOM 422 CG LYS A 28 -0.423 -13.209 -7.095 1.00 0.00 C ATOM 423 CD LYS A 28 -0.854 -12.326 -8.267 1.00 0.00 C ATOM 424 CE LYS A 28 -2.282 -12.683 -8.678 1.00 0.00 C ATOM 425 NZ LYS A 28 -2.633 -11.963 -9.935 1.00 0.00 N ATOM 0 H LYS A 28 2.005 -11.614 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 28 0.195 -13.801 -4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.432 -11.533 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.589 -12.424 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.109 -14.187 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.265 -13.375 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.798 -11.275 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.176 -12.466 -9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.371 -13.759 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.979 -12.412 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.605 -12.206 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.564 -10.937 -9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.975 -12.243 -10.691 1.00 0.00 H new ATOM 439 N HIS A 29 3.306 -14.172 -5.724 1.00 0.00 N ATOM 440 CA HIS A 29 4.293 -15.163 -6.142 1.00 0.00 C ATOM 441 C HIS A 29 4.417 -16.266 -5.095 1.00 0.00 C ATOM 442 O HIS A 29 4.652 -17.429 -5.420 1.00 0.00 O ATOM 443 CB HIS A 29 5.661 -14.508 -6.340 1.00 0.00 C ATOM 444 CG HIS A 29 5.651 -13.697 -7.605 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.226 -14.221 -8.816 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.008 -12.397 -7.865 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.338 -13.251 -9.741 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.811 -12.117 -9.214 1.00 0.00 N ATOM 0 H HIS A 29 3.679 -13.234 -5.577 1.00 0.00 H new ATOM 0 HA HIS A 29 3.958 -15.593 -7.086 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.897 -13.870 -5.488 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.437 -15.271 -6.391 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.385 -11.698 -7.133 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.078 -13.373 -10.782 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.989 -11.236 -9.697 1.00 0.00 H new ATOM 647 N LYS B 9 -4.702 15.811 -2.358 1.00 0.00 N ATOM 648 CA LYS B 9 -3.725 14.810 -2.781 1.00 0.00 C ATOM 649 C LYS B 9 -3.610 13.699 -1.744 1.00 0.00 C ATOM 650 O LYS B 9 -3.528 12.518 -2.084 1.00 0.00 O ATOM 651 CB LYS B 9 -2.350 15.452 -2.977 1.00 0.00 C ATOM 652 CG LYS B 9 -2.455 16.585 -4.001 1.00 0.00 C ATOM 653 CD LYS B 9 -1.088 16.819 -4.646 1.00 0.00 C ATOM 654 CE LYS B 9 -1.275 17.230 -6.108 1.00 0.00 C ATOM 655 NZ LYS B 9 0.029 17.130 -6.824 1.00 0.00 N ATOM 0 HA LYS B 9 -4.068 14.388 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.979 15.839 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.634 14.705 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -3.191 16.332 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.801 17.498 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.548 17.596 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.486 15.912 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -2.014 16.587 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.655 18.250 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.098 17.409 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 0.722 17.761 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.374 16.150 -6.781 1.00 0.00 H new ATOM 669 N ASN B 10 -3.605 14.088 -0.472 1.00 0.00 N ATOM 670 CA ASN B 10 -3.497 13.116 0.612 1.00 0.00 C ATOM 671 C ASN B 10 -4.685 12.158 0.597 1.00 0.00 C ATOM 672 O ASN B 10 -4.557 10.982 0.940 1.00 0.00 O ATOM 673 CB ASN B 10 -3.448 13.827 1.966 1.00 0.00 C ATOM 674 CG ASN B 10 -2.004 14.191 2.299 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.070 13.544 1.827 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.765 15.199 3.095 1.00 0.00 N ATOM 0 H ASN B 10 -3.674 15.059 -0.168 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.576 12.552 0.463 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.064 14.726 1.939 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.860 13.182 2.742 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.804 15.450 3.325 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.540 15.735 3.486 1.00 0.00 H new ATOM 683 N ASP B 11 -5.842 12.675 0.198 1.00 0.00 N ATOM 684 CA ASP B 11 -7.052 11.857 0.143 1.00 0.00 C ATOM 685 C ASP B 11 -6.878 10.712 -0.850 1.00 0.00 C ATOM 686 O ASP B 11 -7.084 9.546 -0.516 1.00 0.00 O ATOM 687 CB ASP B 11 -8.254 12.706 -0.281 1.00 0.00 C ATOM 688 CG ASP B 11 -8.922 13.294 0.958 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.054 12.575 1.933 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.292 14.455 0.910 1.00 0.00 O ATOM 0 H ASP B 11 -5.969 13.645 -0.089 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.228 11.450 1.139 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.931 13.506 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.966 12.096 -0.837 1.00 0.00 H new ATOM 695 N THR B 12 -6.496 11.060 -2.077 1.00 0.00 N ATOM 696 CA THR B 12 -6.296 10.052 -3.116 1.00 0.00 C ATOM 697 C THR B 12 -5.190 9.082 -2.714 1.00 0.00 C ATOM 698 O THR B 12 -5.217 7.903 -3.072 1.00 0.00 O ATOM 699 CB THR B 12 -5.917 10.719 -4.441 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.657 11.359 -4.303 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.979 11.753 -4.816 1.00 0.00 C ATOM 0 H THR B 12 -6.321 12.020 -2.374 1.00 0.00 H new ATOM 0 HA THR B 12 -7.231 9.505 -3.238 1.00 0.00 H new ATOM 0 HB THR B 12 -5.857 9.964 -5.225 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.561 11.699 -3.389 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.708 12.227 -5.759 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.945 11.260 -4.922 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.042 12.510 -4.034 1.00 0.00 H new ATOM 709 N HIS B 13 -4.214 9.589 -1.965 1.00 0.00 N ATOM 710 CA HIS B 13 -3.099 8.759 -1.519 1.00 0.00 C ATOM 711 C HIS B 13 -3.599 7.621 -0.634 1.00 0.00 C ATOM 712 O HIS B 13 -3.247 6.460 -0.832 1.00 0.00 O ATOM 713 CB HIS B 13 -2.091 9.596 -0.728 1.00 0.00 C ATOM 714 CG HIS B 13 -1.056 10.160 -1.665 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.347 9.364 -2.549 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.600 11.440 -1.862 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.491 10.166 -3.233 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.378 11.441 -2.853 1.00 0.00 N ATOM 0 H HIS B 13 -4.172 10.560 -1.657 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.615 8.346 -2.404 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.604 10.405 -0.207 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.610 8.981 0.033 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.947 12.313 -1.329 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.172 9.820 -3.996 1.00 0.00 H new ATOM 0 HE2 HIS B 13 0.896 12.243 -3.211 1.00 0.00 H new ATOM 726 N GLN B 14 -4.422 7.974 0.347 1.00 0.00 N ATOM 727 CA GLN B 14 -4.970 6.982 1.272 1.00 0.00 C ATOM 728 C GLN B 14 -5.762 5.916 0.517 1.00 0.00 C ATOM 729 O GLN B 14 -5.795 4.751 0.916 1.00 0.00 O ATOM 730 CB GLN B 14 -5.890 7.653 2.293 1.00 0.00 C ATOM 731 CG GLN B 14 -5.874 6.855 3.597 1.00 0.00 C ATOM 732 CD GLN B 14 -6.902 7.435 4.562 1.00 0.00 C ATOM 733 OE1 GLN B 14 -7.200 8.629 4.519 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.470 6.653 5.440 1.00 0.00 N ATOM 0 H GLN B 14 -4.724 8.932 0.524 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.133 6.511 1.787 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.562 8.676 2.477 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.906 7.709 1.901 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.098 5.807 3.397 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.880 6.889 4.044 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -7.224 5.664 5.477 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -8.160 7.031 6.089 1.00 0.00 H new ATOM 743 N GLN B 15 -6.399 6.327 -0.573 1.00 0.00 N ATOM 744 CA GLN B 15 -7.191 5.398 -1.377 1.00 0.00 C ATOM 745 C GLN B 15 -6.307 4.289 -1.940 1.00 0.00 C ATOM 746 O GLN B 15 -6.596 3.103 -1.778 1.00 0.00 O ATOM 747 CB GLN B 15 -7.866 6.134 -2.537 1.00 0.00 C ATOM 748 CG GLN B 15 -9.153 5.404 -2.923 1.00 0.00 C ATOM 749 CD GLN B 15 -9.622 5.889 -4.291 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.585 6.650 -4.391 1.00 0.00 O ATOM 751 NE2 GLN B 15 -8.991 5.492 -5.362 1.00 0.00 N ATOM 0 H GLN B 15 -6.385 7.286 -0.920 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.953 4.962 -0.731 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.090 7.161 -2.249 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.192 6.183 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -8.980 4.328 -2.946 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.925 5.587 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -8.193 4.862 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -9.295 5.812 -6.281 1.00 0.00 H new ATOM 760 N ASP B 16 -5.227 4.687 -2.605 1.00 0.00 N ATOM 761 CA ASP B 16 -4.305 3.720 -3.193 1.00 0.00 C ATOM 762 C ASP B 16 -3.681 2.848 -2.107 1.00 0.00 C ATOM 763 O ASP B 16 -3.555 1.634 -2.260 1.00 0.00 O ATOM 764 CB ASP B 16 -3.190 4.437 -3.956 1.00 0.00 C ATOM 765 CG ASP B 16 -2.661 3.529 -5.060 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.109 2.490 -4.732 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.814 3.884 -6.218 1.00 0.00 O ATOM 0 H ASP B 16 -4.970 5.663 -2.750 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.872 3.093 -3.882 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.567 5.365 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.383 4.705 -3.274 1.00 0.00 H new ATOM 772 N ILE B 17 -3.292 3.484 -1.007 1.00 0.00 N ATOM 773 CA ILE B 17 -2.679 2.762 0.107 1.00 0.00 C ATOM 774 C ILE B 17 -3.663 1.738 0.677 1.00 0.00 C ATOM 775 O ILE B 17 -3.458 0.529 0.572 1.00 0.00 O ATOM 776 CB ILE B 17 -2.233 3.769 1.204 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.809 4.237 0.898 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.255 3.141 2.613 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.842 5.316 -0.187 1.00 0.00 C ATOM 0 H ILE B 17 -3.388 4.489 -0.861 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.800 2.226 -0.252 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.934 4.603 1.196 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.343 4.630 1.802 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.202 3.394 0.568 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.936 3.882 3.346 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.267 2.810 2.848 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.578 2.287 2.641 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.174 5.647 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.290 4.908 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.433 6.163 0.160 1.00 0.00 H new ATOM 791 N ASP B 18 -4.720 2.248 1.310 1.00 0.00 N ATOM 792 CA ASP B 18 -5.729 1.395 1.937 1.00 0.00 C ATOM 793 C ASP B 18 -6.148 0.239 1.022 1.00 0.00 C ATOM 794 O ASP B 18 -6.285 -0.901 1.466 1.00 0.00 O ATOM 795 CB ASP B 18 -6.966 2.221 2.297 1.00 0.00 C ATOM 796 CG ASP B 18 -6.821 2.771 3.711 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.299 2.058 4.553 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.234 3.896 3.933 1.00 0.00 O ATOM 0 H ASP B 18 -4.899 3.248 1.402 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.282 0.975 2.838 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.087 3.040 1.588 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.861 1.603 2.226 1.00 0.00 H new ATOM 803 N ASP B 19 -6.345 0.549 -0.257 1.00 0.00 N ATOM 804 CA ASP B 19 -6.745 -0.474 -1.223 1.00 0.00 C ATOM 805 C ASP B 19 -5.672 -1.553 -1.330 1.00 0.00 C ATOM 806 O ASP B 19 -5.971 -2.725 -1.557 1.00 0.00 O ATOM 807 CB ASP B 19 -6.962 0.151 -2.603 1.00 0.00 C ATOM 808 CG ASP B 19 -7.890 -0.741 -3.423 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.448 -1.800 -3.836 1.00 0.00 O ATOM 810 OD2 ASP B 19 -9.028 -0.351 -3.625 1.00 0.00 O ATOM 0 H ASP B 19 -6.237 1.486 -0.646 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.677 -0.921 -0.876 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.394 1.146 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.007 0.269 -3.115 1.00 0.00 H new ATOM 815 N LEU B 20 -4.419 -1.144 -1.157 1.00 0.00 N ATOM 816 CA LEU B 20 -3.305 -2.085 -1.231 1.00 0.00 C ATOM 817 C LEU B 20 -3.186 -2.861 0.077 1.00 0.00 C ATOM 818 O LEU B 20 -2.837 -4.041 0.087 1.00 0.00 O ATOM 819 CB LEU B 20 -1.991 -1.347 -1.490 1.00 0.00 C ATOM 820 CG LEU B 20 -1.990 -0.789 -2.913 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.890 0.265 -3.048 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.731 -1.926 -3.906 1.00 0.00 C ATOM 0 H LEU B 20 -4.150 -0.179 -0.967 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.499 -2.773 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.869 -0.537 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.148 -2.025 -1.353 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.957 -0.333 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.890 0.663 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.073 1.074 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.078 -0.190 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.730 -1.529 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.764 -2.381 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.515 -2.678 -3.811 1.00 0.00 H new ATOM 834 N LYS B 21 -3.484 -2.182 1.180 1.00 0.00 N ATOM 835 CA LYS B 21 -3.409 -2.812 2.495 1.00 0.00 C ATOM 836 C LYS B 21 -4.572 -3.780 2.688 1.00 0.00 C ATOM 837 O LYS B 21 -4.389 -4.908 3.140 1.00 0.00 O ATOM 838 CB LYS B 21 -3.451 -1.756 3.600 1.00 0.00 C ATOM 839 CG LYS B 21 -2.137 -0.973 3.609 1.00 0.00 C ATOM 840 CD LYS B 21 -1.135 -1.668 4.536 1.00 0.00 C ATOM 841 CE LYS B 21 0.131 -0.816 4.646 1.00 0.00 C ATOM 842 NZ LYS B 21 0.899 -1.224 5.857 1.00 0.00 N ATOM 0 H LYS B 21 -3.777 -1.205 1.191 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.467 -3.358 2.553 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.289 -1.078 3.438 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.609 -2.233 4.567 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.732 -0.910 2.599 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.312 0.049 3.946 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.576 -1.813 5.522 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.889 -2.656 4.148 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.745 -0.940 3.754 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.132 0.240 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.760 -0.646 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.312 -1.084 6.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 1.162 -2.227 5.780 1.00 0.00 H new ATOM 856 N ARG B 22 -5.773 -3.323 2.340 1.00 0.00 N ATOM 857 CA ARG B 22 -6.962 -4.160 2.481 1.00 0.00 C ATOM 858 C ARG B 22 -6.849 -5.397 1.595 1.00 0.00 C ATOM 859 O ARG B 22 -7.332 -6.474 1.946 1.00 0.00 O ATOM 860 CB ARG B 22 -8.221 -3.376 2.099 1.00 0.00 C ATOM 861 CG ARG B 22 -8.079 -2.817 0.682 1.00 0.00 C ATOM 862 CD ARG B 22 -8.817 -3.723 -0.307 1.00 0.00 C ATOM 863 NE ARG B 22 -10.257 -3.713 -0.038 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.088 -4.620 -0.573 1.00 0.00 C ATOM 865 NH1 ARG B 22 -10.646 -5.563 -1.368 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.363 -4.560 -0.297 1.00 0.00 N ATOM 0 H ARG B 22 -5.948 -2.391 1.964 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.036 -4.468 3.524 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.095 -4.025 2.157 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.381 -2.562 2.806 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.485 -1.807 0.637 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.025 -2.749 0.411 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.630 -3.387 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -8.434 -4.741 -0.232 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.640 -2.994 0.575 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -9.652 -5.618 -1.591 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.296 -6.242 -1.764 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.717 -3.829 0.320 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.004 -5.244 -0.698 1.00 0.00 H new ATOM 880 N GLN B 23 -6.201 -5.231 0.444 1.00 0.00 N ATOM 881 CA GLN B 23 -6.025 -6.344 -0.485 1.00 0.00 C ATOM 882 C GLN B 23 -4.937 -7.286 0.017 1.00 0.00 C ATOM 883 O GLN B 23 -5.151 -8.490 0.153 1.00 0.00 O ATOM 884 CB GLN B 23 -5.638 -5.828 -1.873 1.00 0.00 C ATOM 885 CG GLN B 23 -6.903 -5.590 -2.702 1.00 0.00 C ATOM 886 CD GLN B 23 -7.191 -6.817 -3.562 1.00 0.00 C ATOM 887 OE1 GLN B 23 -7.035 -8.008 -3.053 1.00 0.00 O flip ATOM 888 NE2 GLN B 23 -7.569 -6.690 -4.728 1.00 0.00 N flip ATOM 0 H GLN B 23 -5.794 -4.348 0.135 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.971 -6.882 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.070 -4.902 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.993 -6.550 -2.374 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.748 -5.388 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.775 -4.712 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.691 -5.759 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.760 -7.516 -5.295 1.00 0.00 H new ATOM 897 N ASN B 24 -3.765 -6.721 0.294 1.00 0.00 N ATOM 898 CA ASN B 24 -2.643 -7.514 0.786 1.00 0.00 C ATOM 899 C ASN B 24 -2.981 -8.134 2.138 1.00 0.00 C ATOM 900 O ASN B 24 -2.529 -9.231 2.465 1.00 0.00 O ATOM 901 CB ASN B 24 -1.395 -6.639 0.936 1.00 0.00 C ATOM 902 CG ASN B 24 -1.024 -6.037 -0.417 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.855 -5.963 -1.323 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.189 -5.595 -0.608 1.00 0.00 N ATOM 0 H ASN B 24 -3.568 -5.726 0.187 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.447 -8.305 0.063 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.580 -5.845 1.660 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.566 -7.234 1.320 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.448 -5.189 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.878 -5.656 0.142 1.00 0.00 H new ATOM 911 N ALA B 25 -3.784 -7.416 2.920 1.00 0.00 N ATOM 912 CA ALA B 25 -4.180 -7.899 4.240 1.00 0.00 C ATOM 913 C ALA B 25 -4.965 -9.201 4.118 1.00 0.00 C ATOM 914 O ALA B 25 -4.686 -10.178 4.811 1.00 0.00 O ATOM 915 CB ALA B 25 -5.050 -6.861 4.952 1.00 0.00 C ATOM 0 H ALA B 25 -4.170 -6.507 2.666 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.273 -8.073 4.819 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.336 -7.238 5.934 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.489 -5.934 5.068 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.946 -6.671 4.361 1.00 0.00 H new ATOM 921 N LEU B 26 -5.955 -9.201 3.228 1.00 0.00 N ATOM 922 CA LEU B 26 -6.779 -10.390 3.022 1.00 0.00 C ATOM 923 C LEU B 26 -5.920 -11.556 2.536 1.00 0.00 C ATOM 924 O LEU B 26 -6.110 -12.699 2.948 1.00 0.00 O ATOM 925 CB LEU B 26 -7.877 -10.110 1.990 1.00 0.00 C ATOM 926 CG LEU B 26 -9.171 -9.723 2.710 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.163 -8.222 3.006 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.369 -10.060 1.820 1.00 0.00 C ATOM 0 H LEU B 26 -6.204 -8.402 2.645 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.238 -10.651 3.975 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.566 -9.307 1.322 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.043 -10.992 1.372 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.245 -10.277 3.646 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.085 -7.947 3.519 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.310 -7.981 3.640 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.089 -7.667 2.071 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.291 -9.785 2.332 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.294 -9.506 0.884 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -10.376 -11.129 1.609 1.00 0.00 H new ATOM 940 N LEU B 27 -4.972 -11.250 1.654 1.00 0.00 N ATOM 941 CA LEU B 27 -4.087 -12.279 1.117 1.00 0.00 C ATOM 942 C LEU B 27 -3.159 -12.807 2.208 1.00 0.00 C ATOM 943 O LEU B 27 -3.076 -14.011 2.443 1.00 0.00 O ATOM 944 CB LEU B 27 -3.242 -11.716 -0.027 1.00 0.00 C ATOM 945 CG LEU B 27 -4.155 -11.300 -1.182 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.430 -10.284 -2.065 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.517 -12.532 -2.013 1.00 0.00 C ATOM 0 H LEU B 27 -4.798 -10.310 1.300 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.707 -13.093 0.742 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.665 -10.859 0.321 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.527 -12.465 -0.367 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.064 -10.850 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.080 -9.988 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.171 -9.406 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.521 -10.733 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.168 -12.237 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.608 -12.982 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.034 -13.256 -1.384 1.00 0.00 H new ATOM 959 N GLU B 28 -2.462 -11.887 2.871 1.00 0.00 N ATOM 960 CA GLU B 28 -1.536 -12.260 3.940 1.00 0.00 C ATOM 961 C GLU B 28 -2.266 -13.027 5.043 1.00 0.00 C ATOM 962 O GLU B 28 -1.782 -14.047 5.535 1.00 0.00 O ATOM 963 CB GLU B 28 -0.891 -11.009 4.542 1.00 0.00 C ATOM 964 CG GLU B 28 0.185 -11.417 5.553 1.00 0.00 C ATOM 965 CD GLU B 28 1.337 -10.423 5.502 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.078 -9.236 5.624 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.465 -10.860 5.342 1.00 0.00 O ATOM 0 H GLU B 28 -2.519 -10.885 2.690 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.764 -12.899 3.510 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.450 -10.400 3.753 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.649 -10.397 5.031 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.238 -11.448 6.557 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.547 -12.420 5.329 1.00 0.00 H new ATOM 974 N GLN B 29 -3.438 -12.523 5.424 1.00 0.00 N ATOM 975 CA GLN B 29 -4.238 -13.162 6.472 1.00 0.00 C ATOM 976 C GLN B 29 -4.503 -14.630 6.136 1.00 0.00 C ATOM 977 O GLN B 29 -4.610 -15.476 7.023 1.00 0.00 O ATOM 978 CB GLN B 29 -5.577 -12.441 6.640 1.00 0.00 C ATOM 979 CG GLN B 29 -6.193 -12.815 7.988 1.00 0.00 C ATOM 980 CD GLN B 29 -5.735 -11.822 9.051 1.00 0.00 C ATOM 981 OE1 GLN B 29 -6.005 -10.624 8.948 1.00 0.00 O ATOM 982 NE2 GLN B 29 -5.051 -12.249 10.075 1.00 0.00 N ATOM 0 H GLN B 29 -3.854 -11.680 5.027 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.672 -13.103 7.402 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.431 -11.362 6.582 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.254 -12.715 5.831 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -7.281 -12.811 7.916 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.896 -13.826 8.268 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.827 -13.240 10.161 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.740 -11.592 10.790 1.00 0.00 H new ATOM 991 N GLN B 30 -4.600 -14.918 4.841 1.00 0.00 N ATOM 992 CA GLN B 30 -4.843 -16.286 4.392 1.00 0.00 C ATOM 993 C GLN B 30 -3.525 -17.052 4.310 1.00 0.00 C ATOM 994 O GLN B 30 -3.468 -18.253 4.571 1.00 0.00 O ATOM 995 CB GLN B 30 -5.514 -16.289 3.016 1.00 0.00 C ATOM 996 CG GLN B 30 -7.033 -16.348 3.188 1.00 0.00 C ATOM 997 CD GLN B 30 -7.556 -14.970 3.574 1.00 0.00 C ATOM 998 OE1 GLN B 30 -7.401 -14.538 4.716 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.173 -14.246 2.681 1.00 0.00 N ATOM 0 H GLN B 30 -4.515 -14.231 4.091 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.503 -16.770 5.112 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -5.235 -15.393 2.462 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.170 -17.144 2.434 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.502 -16.680 2.262 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.294 -17.076 3.956 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.302 -14.604 1.735 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.527 -13.322 2.929 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.465 -16.334 3.945 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.142 -16.942 3.832 1.00 0.00 C ATOM 1010 C VAL B 31 -0.664 -17.424 5.201 1.00 0.00 C ATOM 1011 O VAL B 31 0.044 -18.425 5.311 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.141 -15.926 3.268 1.00 0.00 C ATOM 1013 CG1 VAL B 31 1.221 -16.598 3.057 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.657 -15.385 1.926 1.00 0.00 C ATOM 0 H VAL B 31 -2.496 -15.339 3.724 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.208 -17.794 3.156 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.031 -15.104 3.975 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.927 -15.871 2.656 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.591 -16.977 4.010 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.114 -17.425 2.355 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.055 -14.663 1.527 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.772 -16.209 1.222 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.621 -14.899 2.076 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.059 -16.697 6.242 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.666 -17.057 7.602 1.00 0.00 C ATOM 1026 C ARG B 32 -1.354 -18.348 8.033 1.00 0.00 C ATOM 1027 O ARG B 32 -0.747 -19.210 8.668 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.042 -15.941 8.582 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.082 -14.762 8.404 1.00 0.00 C ATOM 1030 CD ARG B 32 1.129 -14.946 9.320 1.00 0.00 C ATOM 1031 NE ARG B 32 0.710 -15.029 10.721 1.00 0.00 N ATOM 1032 CZ ARG B 32 0.300 -13.952 11.408 1.00 0.00 C ATOM 1033 NH1 ARG B 32 0.254 -12.767 10.849 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -0.062 -14.088 12.654 1.00 0.00 N ATOM 0 H ARG B 32 -1.644 -15.864 6.173 1.00 0.00 H new ATOM 0 HA ARG B 32 0.414 -17.201 7.612 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.068 -15.618 8.406 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.995 -16.311 9.606 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.241 -14.696 7.365 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.590 -13.827 8.639 1.00 0.00 H new ATOM 0 HD2 ARG B 32 1.667 -15.852 9.042 1.00 0.00 H new ATOM 0 HD3 ARG B 32 1.819 -14.113 9.190 1.00 0.00 H new ATOM 0 HE ARG B 32 0.731 -15.935 11.189 1.00 0.00 H new ATOM 0 HH11 ARG B 32 0.533 -12.652 9.875 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -0.061 -11.961 11.388 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -0.032 -15.006 13.097 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.375 -13.276 13.186 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.629 -18.471 7.678 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.397 -19.663 8.032 1.00 0.00 C ATOM 1050 C ALA B 33 -2.788 -20.902 7.384 1.00 0.00 C ATOM 1051 O ALA B 33 -2.696 -21.962 8.001 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.850 -19.522 7.572 1.00 0.00 C ATOM 0 H ALA B 33 -3.149 -17.769 7.151 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.370 -19.770 9.116 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.406 -20.419 7.844 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.302 -18.655 8.054 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -4.878 -19.392 6.490 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.374 -20.755 6.128 1.00 0.00 N ATOM 1059 CA LEU B 34 -1.773 -21.868 5.398 1.00 0.00 C ATOM 1060 C LEU B 34 -0.317 -22.051 5.815 1.00 0.00 C ATOM 1061 O LEU B 34 0.494 -21.133 5.699 1.00 0.00 O ATOM 1062 CB LEU B 34 -1.831 -21.614 3.885 1.00 0.00 C ATOM 1063 CG LEU B 34 -3.180 -22.072 3.311 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -3.358 -23.576 3.529 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.324 -21.317 3.997 1.00 0.00 C ATOM 0 H LEU B 34 -2.442 -19.886 5.599 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.337 -22.770 5.635 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -1.685 -20.553 3.683 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.019 -22.147 3.390 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.197 -21.859 2.242 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.317 -23.892 3.119 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.554 -24.114 3.027 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.330 -23.795 4.596 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.277 -21.648 3.584 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.303 -21.519 5.068 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.207 -20.247 3.827 1.00 0.00 H new