USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.7 K(o=-1.7,f=-7.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 84:sc= 1.12 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.2) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.7!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : B 13 HIS : no HE2:sc= -1.03 K(o=-1,f=-3.5!) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 GLN : amide:sc= -0.655 X(o=-0.65,f=-0.91) USER MOD Single : B 21 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.081) USER MOD Single : B 23 GLN : amide:sc= -5.05! C(o=-5.1!,f=-13!) USER MOD Single : B 24 ASN : amide:sc= -1.7 K(o=-1.7,f=-7.3!) USER MOD Single : B 29 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.9!) USER MOD Single : B 30 GLN : amide:sc= -3.13 K(o=-3.1,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 5.716 17.933 2.617 1.00 0.00 N ATOM 48 CA GLN A 7 6.718 17.279 1.778 1.00 0.00 C ATOM 49 C GLN A 7 7.243 16.016 2.456 1.00 0.00 C ATOM 50 O GLN A 7 7.562 15.027 1.796 1.00 0.00 O ATOM 51 CB GLN A 7 7.892 18.225 1.511 1.00 0.00 C ATOM 52 CG GLN A 7 7.375 19.508 0.860 1.00 0.00 C ATOM 53 CD GLN A 7 8.556 20.352 0.391 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.295 20.905 1.206 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.781 20.483 -0.889 1.00 0.00 N ATOM 0 HA GLN A 7 6.243 17.013 0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.404 18.459 2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.621 17.742 0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.730 19.266 0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.771 20.072 1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.169 20.025 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.569 21.043 -1.214 1.00 0.00 H new ATOM 64 N ALA A 8 7.327 16.063 3.782 1.00 0.00 N ATOM 65 CA ALA A 8 7.814 14.915 4.544 1.00 0.00 C ATOM 66 C ALA A 8 6.693 13.903 4.756 1.00 0.00 C ATOM 67 O ALA A 8 6.867 12.706 4.532 1.00 0.00 O ATOM 68 CB ALA A 8 8.347 15.364 5.906 1.00 0.00 C ATOM 0 H ALA A 8 7.068 16.872 4.347 1.00 0.00 H new ATOM 0 HA ALA A 8 8.620 14.450 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.706 14.497 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.167 16.067 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.548 15.849 6.468 1.00 0.00 H new ATOM 74 N GLU A 9 5.539 14.401 5.193 1.00 0.00 N ATOM 75 CA GLU A 9 4.391 13.532 5.435 1.00 0.00 C ATOM 76 C GLU A 9 3.953 12.853 4.141 1.00 0.00 C ATOM 77 O GLU A 9 3.651 11.660 4.119 1.00 0.00 O ATOM 78 CB GLU A 9 3.217 14.340 5.996 1.00 0.00 C ATOM 79 CG GLU A 9 2.177 13.385 6.587 1.00 0.00 C ATOM 80 CD GLU A 9 2.475 13.160 8.065 1.00 0.00 C ATOM 81 OE1 GLU A 9 3.491 12.552 8.358 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.683 13.598 8.883 1.00 0.00 O ATOM 0 H GLU A 9 5.375 15.389 5.385 1.00 0.00 H new ATOM 0 HA GLU A 9 4.690 12.774 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.570 15.030 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.766 14.943 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.176 13.800 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.195 12.435 6.053 1.00 0.00 H new ATOM 89 N GLU A 10 3.924 13.629 3.061 1.00 0.00 N ATOM 90 CA GLU A 10 3.522 13.096 1.762 1.00 0.00 C ATOM 91 C GLU A 10 4.524 12.049 1.285 1.00 0.00 C ATOM 92 O GLU A 10 4.162 11.085 0.609 1.00 0.00 O ATOM 93 CB GLU A 10 3.439 14.216 0.724 1.00 0.00 C ATOM 94 CG GLU A 10 2.622 13.738 -0.479 1.00 0.00 C ATOM 95 CD GLU A 10 2.685 14.785 -1.584 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.074 15.829 -1.419 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.341 14.529 -2.581 1.00 0.00 O ATOM 0 H GLU A 10 4.171 14.619 3.058 1.00 0.00 H new ATOM 0 HA GLU A 10 2.540 12.636 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.976 15.100 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.440 14.506 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.012 12.787 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.587 13.567 -0.184 1.00 0.00 H new ATOM 104 N GLN A 11 5.790 12.249 1.645 1.00 0.00 N ATOM 105 CA GLN A 11 6.842 11.317 1.248 1.00 0.00 C ATOM 106 C GLN A 11 6.574 9.933 1.830 1.00 0.00 C ATOM 107 O GLN A 11 6.901 8.913 1.223 1.00 0.00 O ATOM 108 CB GLN A 11 8.206 11.808 1.739 1.00 0.00 C ATOM 109 CG GLN A 11 9.310 11.220 0.856 1.00 0.00 C ATOM 110 CD GLN A 11 9.870 9.957 1.507 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.203 9.324 2.326 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.067 9.550 1.187 1.00 0.00 N ATOM 0 H GLN A 11 6.110 13.039 2.205 1.00 0.00 H new ATOM 0 HA GLN A 11 6.847 11.259 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.244 12.897 1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.359 11.511 2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.913 10.987 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.105 11.952 0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.620 10.074 0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.451 8.707 1.615 1.00 0.00 H new ATOM 121 N LYS A 12 5.973 9.909 3.017 1.00 0.00 N ATOM 122 CA LYS A 12 5.662 8.644 3.676 1.00 0.00 C ATOM 123 C LYS A 12 4.453 7.986 3.022 1.00 0.00 C ATOM 124 O LYS A 12 4.415 6.770 2.835 1.00 0.00 O ATOM 125 CB LYS A 12 5.363 8.873 5.160 1.00 0.00 C ATOM 126 CG LYS A 12 6.678 8.976 5.936 1.00 0.00 C ATOM 127 CD LYS A 12 6.398 8.838 7.434 1.00 0.00 C ATOM 128 CE LYS A 12 7.624 8.244 8.129 1.00 0.00 C ATOM 129 NZ LYS A 12 8.682 9.286 8.249 1.00 0.00 N ATOM 0 H LYS A 12 5.694 10.741 3.537 1.00 0.00 H new ATOM 0 HA LYS A 12 6.529 7.991 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.781 9.785 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.761 8.053 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.367 8.196 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.159 9.932 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.161 9.812 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.530 8.199 7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.351 7.873 9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.000 7.393 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.515 8.882 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.950 9.620 7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.321 10.085 8.808 1.00 0.00 H new ATOM 143 N LEU A 13 3.463 8.804 2.676 1.00 0.00 N ATOM 144 CA LEU A 13 2.249 8.294 2.042 1.00 0.00 C ATOM 145 C LEU A 13 2.584 7.616 0.716 1.00 0.00 C ATOM 146 O LEU A 13 2.025 6.573 0.377 1.00 0.00 O ATOM 147 CB LEU A 13 1.261 9.434 1.785 1.00 0.00 C ATOM 148 CG LEU A 13 0.325 9.578 2.986 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.322 10.963 2.965 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.765 8.505 2.915 1.00 0.00 C ATOM 0 H LEU A 13 3.475 9.813 2.822 1.00 0.00 H new ATOM 0 HA LEU A 13 1.796 7.567 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.800 10.366 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.684 9.233 0.883 1.00 0.00 H new ATOM 0 HG LEU A 13 0.895 9.457 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.989 11.066 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.453 11.728 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.892 11.084 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.432 8.607 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.335 8.626 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.305 7.517 2.930 1.00 0.00 H new ATOM 162 N ILE A 14 3.503 8.222 -0.029 1.00 0.00 N ATOM 163 CA ILE A 14 3.910 7.672 -1.319 1.00 0.00 C ATOM 164 C ILE A 14 4.653 6.353 -1.122 1.00 0.00 C ATOM 165 O ILE A 14 4.299 5.330 -1.710 1.00 0.00 O ATOM 166 CB ILE A 14 4.821 8.659 -2.058 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.103 10.003 -2.201 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.159 8.115 -3.449 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.135 11.124 -2.328 1.00 0.00 C ATOM 0 H ILE A 14 3.977 9.086 0.234 1.00 0.00 H new ATOM 0 HA ILE A 14 3.013 7.497 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 14 5.742 8.791 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.456 9.990 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.464 10.179 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.807 8.821 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.671 7.158 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.240 7.978 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.622 12.081 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.764 11.142 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.755 10.949 -3.207 1.00 0.00 H new ATOM 181 N SER A 15 5.694 6.391 -0.294 1.00 0.00 N ATOM 182 CA SER A 15 6.491 5.196 -0.030 1.00 0.00 C ATOM 183 C SER A 15 5.624 4.089 0.568 1.00 0.00 C ATOM 184 O SER A 15 5.866 2.903 0.345 1.00 0.00 O ATOM 185 CB SER A 15 7.629 5.515 0.939 1.00 0.00 C ATOM 186 OG SER A 15 8.344 6.649 0.466 1.00 0.00 O ATOM 0 H SER A 15 6.003 7.227 0.201 1.00 0.00 H new ATOM 0 HA SER A 15 6.905 4.856 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.230 5.711 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.298 4.659 1.027 1.00 0.00 H new ATOM 0 HG SER A 15 7.888 7.467 0.755 1.00 0.00 H new ATOM 192 N GLU A 16 4.611 4.493 1.331 1.00 0.00 N ATOM 193 CA GLU A 16 3.712 3.525 1.956 1.00 0.00 C ATOM 194 C GLU A 16 2.977 2.719 0.888 1.00 0.00 C ATOM 195 O GLU A 16 3.061 1.492 0.848 1.00 0.00 O ATOM 196 CB GLU A 16 2.688 4.245 2.849 1.00 0.00 C ATOM 197 CG GLU A 16 3.042 4.031 4.325 1.00 0.00 C ATOM 198 CD GLU A 16 4.378 4.699 4.632 1.00 0.00 C ATOM 199 OE1 GLU A 16 5.399 4.089 4.357 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.362 5.809 5.138 1.00 0.00 O ATOM 0 H GLU A 16 4.393 5.469 1.530 1.00 0.00 H new ATOM 0 HA GLU A 16 4.309 2.849 2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.678 5.310 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.686 3.866 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.261 4.448 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.098 2.965 4.545 1.00 0.00 H new ATOM 207 N GLU A 17 2.253 3.426 0.022 1.00 0.00 N ATOM 208 CA GLU A 17 1.506 2.768 -1.046 1.00 0.00 C ATOM 209 C GLU A 17 2.454 2.019 -1.980 1.00 0.00 C ATOM 210 O GLU A 17 2.099 0.988 -2.551 1.00 0.00 O ATOM 211 CB GLU A 17 0.707 3.793 -1.857 1.00 0.00 C ATOM 212 CG GLU A 17 1.649 4.873 -2.396 1.00 0.00 C ATOM 213 CD GLU A 17 0.887 5.775 -3.359 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.100 6.357 -2.941 1.00 0.00 O ATOM 215 OE2 GLU A 17 1.304 5.874 -4.503 1.00 0.00 O ATOM 0 H GLU A 17 2.168 4.442 0.038 1.00 0.00 H new ATOM 0 HA GLU A 17 0.818 2.059 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.195 3.298 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.062 4.247 -1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.054 5.461 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.495 4.412 -2.905 1.00 0.00 H new ATOM 222 N ASP A 18 3.664 2.549 -2.128 1.00 0.00 N ATOM 223 CA ASP A 18 4.659 1.923 -2.994 1.00 0.00 C ATOM 224 C ASP A 18 5.197 0.649 -2.351 1.00 0.00 C ATOM 225 O ASP A 18 5.366 -0.375 -3.014 1.00 0.00 O ATOM 226 CB ASP A 18 5.825 2.880 -3.251 1.00 0.00 C ATOM 227 CG ASP A 18 6.687 2.341 -4.387 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.216 2.338 -5.513 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.805 1.936 -4.115 1.00 0.00 O ATOM 0 H ASP A 18 3.978 3.402 -1.665 1.00 0.00 H new ATOM 0 HA ASP A 18 4.175 1.679 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.447 3.870 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.424 2.991 -2.347 1.00 0.00 H new ATOM 234 N LEU A 19 5.458 0.721 -1.050 1.00 0.00 N ATOM 235 CA LEU A 19 5.976 -0.433 -0.321 1.00 0.00 C ATOM 236 C LEU A 19 4.967 -1.576 -0.354 1.00 0.00 C ATOM 237 O LEU A 19 5.337 -2.750 -0.397 1.00 0.00 O ATOM 238 CB LEU A 19 6.261 -0.063 1.137 1.00 0.00 C ATOM 239 CG LEU A 19 7.152 -1.133 1.770 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.620 -0.726 1.629 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.803 -1.271 3.255 1.00 0.00 C ATOM 0 H LEU A 19 5.321 1.557 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 19 6.902 -0.748 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.751 0.910 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.326 0.022 1.691 1.00 0.00 H new ATOM 0 HG LEU A 19 6.990 -2.086 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.254 -1.489 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.870 -0.625 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.784 0.226 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.437 -2.033 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.966 -0.317 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.757 -1.561 3.358 1.00 0.00 H new ATOM 253 N LEU A 20 3.686 -1.219 -0.334 1.00 0.00 N ATOM 254 CA LEU A 20 2.624 -2.220 -0.364 1.00 0.00 C ATOM 255 C LEU A 20 2.520 -2.846 -1.751 1.00 0.00 C ATOM 256 O LEU A 20 2.164 -4.016 -1.894 1.00 0.00 O ATOM 257 CB LEU A 20 1.280 -1.586 -0.001 1.00 0.00 C ATOM 258 CG LEU A 20 1.071 -1.665 1.512 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.083 -0.582 1.950 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.509 -3.042 1.877 1.00 0.00 C ATOM 0 H LEU A 20 3.360 -0.253 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 20 2.869 -2.992 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.256 -0.547 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.471 -2.102 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 20 2.025 -1.513 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.065 -0.639 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.480 0.399 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.871 -0.733 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.360 -3.100 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.444 -3.192 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.211 -3.816 1.566 1.00 0.00 H new ATOM 272 N ARG A 21 2.837 -2.055 -2.774 1.00 0.00 N ATOM 273 CA ARG A 21 2.777 -2.541 -4.151 1.00 0.00 C ATOM 274 C ARG A 21 3.734 -3.715 -4.345 1.00 0.00 C ATOM 275 O ARG A 21 3.343 -4.778 -4.824 1.00 0.00 O ATOM 276 CB ARG A 21 3.152 -1.426 -5.129 1.00 0.00 C ATOM 277 CG ARG A 21 1.947 -0.506 -5.342 1.00 0.00 C ATOM 278 CD ARG A 21 2.380 0.724 -6.140 1.00 0.00 C ATOM 279 NE ARG A 21 2.971 0.330 -7.420 1.00 0.00 N ATOM 280 CZ ARG A 21 2.225 -0.104 -8.447 1.00 0.00 C ATOM 281 NH1 ARG A 21 0.921 -0.194 -8.349 1.00 0.00 N ATOM 282 NH2 ARG A 21 2.810 -0.441 -9.564 1.00 0.00 N ATOM 0 H ARG A 21 3.135 -1.084 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 21 1.756 -2.868 -4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.995 -0.855 -4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.469 -1.854 -6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.159 -1.039 -5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.534 -0.202 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.520 1.371 -6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.102 1.302 -5.563 1.00 0.00 H new ATOM 0 HE ARG A 21 3.983 0.387 -7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.456 0.068 -7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.372 -0.526 -9.142 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.824 -0.373 -9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.253 -0.772 -10.352 1.00 0.00 H new ATOM 296 N LYS A 22 4.989 -3.506 -3.964 1.00 0.00 N ATOM 297 CA LYS A 22 5.999 -4.553 -4.096 1.00 0.00 C ATOM 298 C LYS A 22 5.628 -5.759 -3.238 1.00 0.00 C ATOM 299 O LYS A 22 5.914 -6.904 -3.591 1.00 0.00 O ATOM 300 CB LYS A 22 7.370 -4.036 -3.662 1.00 0.00 C ATOM 301 CG LYS A 22 7.934 -3.112 -4.744 1.00 0.00 C ATOM 302 CD LYS A 22 8.441 -3.952 -5.919 1.00 0.00 C ATOM 303 CE LYS A 22 9.938 -4.223 -5.745 1.00 0.00 C ATOM 304 NZ LYS A 22 10.578 -4.353 -7.084 1.00 0.00 N ATOM 0 H LYS A 22 5.331 -2.632 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 22 6.041 -4.849 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.285 -3.498 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.049 -4.872 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.164 -2.420 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.746 -2.510 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.894 -4.893 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.262 -3.428 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.403 -3.411 -5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.089 -5.135 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.595 -4.537 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.141 -5.142 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.446 -3.471 -7.619 1.00 0.00 H new ATOM 318 N ARG A 23 4.985 -5.489 -2.105 1.00 0.00 N ATOM 319 CA ARG A 23 4.574 -6.557 -1.198 1.00 0.00 C ATOM 320 C ARG A 23 3.412 -7.343 -1.793 1.00 0.00 C ATOM 321 O ARG A 23 3.288 -8.551 -1.588 1.00 0.00 O ATOM 322 CB ARG A 23 4.144 -5.977 0.151 1.00 0.00 C ATOM 323 CG ARG A 23 4.084 -7.097 1.193 1.00 0.00 C ATOM 324 CD ARG A 23 3.397 -6.582 2.457 1.00 0.00 C ATOM 325 NE ARG A 23 2.687 -7.667 3.140 1.00 0.00 N ATOM 326 CZ ARG A 23 3.334 -8.613 3.835 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.641 -8.609 3.939 1.00 0.00 N ATOM 328 NH2 ARG A 23 2.649 -9.556 4.423 1.00 0.00 N ATOM 0 H ARG A 23 4.739 -4.549 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 23 5.426 -7.222 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.848 -5.208 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.169 -5.499 0.059 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.539 -7.952 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.090 -7.443 1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.138 -6.147 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.696 -5.788 2.198 1.00 0.00 H new ATOM 0 HE ARG A 23 1.669 -7.703 3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.186 -7.876 3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.112 -9.339 4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.632 -9.568 4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.131 -10.281 4.954 1.00 0.00 H new ATOM 342 N ARG A 24 2.560 -6.642 -2.537 1.00 0.00 N ATOM 343 CA ARG A 24 1.404 -7.283 -3.163 1.00 0.00 C ATOM 344 C ARG A 24 1.859 -8.352 -4.151 1.00 0.00 C ATOM 345 O ARG A 24 1.391 -9.491 -4.115 1.00 0.00 O ATOM 346 CB ARG A 24 0.555 -6.249 -3.904 1.00 0.00 C ATOM 347 CG ARG A 24 -0.781 -6.877 -4.305 1.00 0.00 C ATOM 348 CD ARG A 24 -1.775 -5.774 -4.670 1.00 0.00 C ATOM 349 NE ARG A 24 -1.234 -4.920 -5.730 1.00 0.00 N ATOM 350 CZ ARG A 24 -1.129 -5.339 -6.999 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.511 -6.543 -7.352 1.00 0.00 N ATOM 352 NH2 ARG A 24 -0.637 -4.533 -7.900 1.00 0.00 N ATOM 0 H ARG A 24 2.645 -5.642 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 24 0.808 -7.745 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.384 -5.380 -3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.083 -5.897 -4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.640 -7.548 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.173 -7.478 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.715 -6.218 -4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.998 -5.172 -3.789 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.927 -3.976 -5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.897 -7.180 -6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.422 -6.842 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.337 -3.595 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.553 -4.841 -8.869 1.00 0.00 H new ATOM 366 N GLU A 25 2.779 -7.972 -5.034 1.00 0.00 N ATOM 367 CA GLU A 25 3.294 -8.907 -6.030 1.00 0.00 C ATOM 368 C GLU A 25 4.073 -10.030 -5.353 1.00 0.00 C ATOM 369 O GLU A 25 4.064 -11.173 -5.809 1.00 0.00 O ATOM 370 CB GLU A 25 4.217 -8.185 -7.015 1.00 0.00 C ATOM 371 CG GLU A 25 3.378 -7.519 -8.106 1.00 0.00 C ATOM 372 CD GLU A 25 2.544 -6.398 -7.495 1.00 0.00 C ATOM 373 OE1 GLU A 25 3.093 -5.331 -7.274 1.00 0.00 O ATOM 374 OE2 GLU A 25 1.368 -6.622 -7.257 1.00 0.00 O ATOM 0 H GLU A 25 3.179 -7.035 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 25 2.444 -9.327 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.811 -7.437 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.916 -8.893 -7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.027 -7.120 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.727 -8.255 -8.579 1.00 0.00 H new ATOM 381 N GLN A 26 4.744 -9.691 -4.258 1.00 0.00 N ATOM 382 CA GLN A 26 5.527 -10.677 -3.518 1.00 0.00 C ATOM 383 C GLN A 26 4.613 -11.744 -2.925 1.00 0.00 C ATOM 384 O GLN A 26 4.974 -12.918 -2.845 1.00 0.00 O ATOM 385 CB GLN A 26 6.308 -10.005 -2.388 1.00 0.00 C ATOM 386 CG GLN A 26 7.595 -9.395 -2.946 1.00 0.00 C ATOM 387 CD GLN A 26 8.183 -8.424 -1.929 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.448 -7.265 -2.250 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.402 -8.829 -0.709 1.00 0.00 N ATOM 0 H GLN A 26 4.763 -8.750 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 26 6.226 -11.141 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.699 -9.231 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.545 -10.734 -1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.315 -10.182 -3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.388 -8.876 -3.882 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.182 -9.789 -0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.793 -8.186 -0.021 1.00 0.00 H new ATOM 398 N LEU A 27 3.422 -11.320 -2.511 1.00 0.00 N ATOM 399 CA LEU A 27 2.455 -12.246 -1.925 1.00 0.00 C ATOM 400 C LEU A 27 1.899 -13.182 -2.994 1.00 0.00 C ATOM 401 O LEU A 27 1.647 -14.359 -2.740 1.00 0.00 O ATOM 402 CB LEU A 27 1.298 -11.478 -1.284 1.00 0.00 C ATOM 403 CG LEU A 27 1.810 -10.695 -0.075 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.863 -9.528 0.216 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.866 -11.619 1.142 1.00 0.00 C ATOM 0 H LEU A 27 3.105 -10.352 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 27 2.969 -12.830 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.854 -10.797 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.515 -12.171 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 27 2.807 -10.310 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.228 -8.970 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.820 -8.869 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.134 -9.913 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.231 -11.062 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.868 -12.003 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.539 -12.451 0.936 1.00 0.00 H new ATOM 417 N LYS A 28 1.713 -12.641 -4.196 1.00 0.00 N ATOM 418 CA LYS A 28 1.186 -13.433 -5.303 1.00 0.00 C ATOM 419 C LYS A 28 2.253 -14.385 -5.834 1.00 0.00 C ATOM 420 O LYS A 28 1.950 -15.486 -6.292 1.00 0.00 O ATOM 421 CB LYS A 28 0.722 -12.522 -6.440 1.00 0.00 C ATOM 422 CG LYS A 28 -0.700 -12.034 -6.158 1.00 0.00 C ATOM 423 CD LYS A 28 -1.125 -11.037 -7.238 1.00 0.00 C ATOM 424 CE LYS A 28 -2.647 -11.052 -7.377 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.045 -12.080 -8.378 1.00 0.00 N ATOM 0 H LYS A 28 1.917 -11.668 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 28 0.339 -14.009 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.397 -11.671 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.751 -13.061 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.388 -12.879 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.745 -11.563 -5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.783 -10.035 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.660 -11.295 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.108 -11.269 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.004 -10.070 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.081 -12.090 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.616 -11.853 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.717 -13.016 -8.064 1.00 0.00 H new ATOM 439 N HIS A 29 3.507 -13.947 -5.767 1.00 0.00 N ATOM 440 CA HIS A 29 4.617 -14.769 -6.244 1.00 0.00 C ATOM 441 C HIS A 29 4.773 -16.014 -5.376 1.00 0.00 C ATOM 442 O HIS A 29 5.182 -17.073 -5.852 1.00 0.00 O ATOM 443 CB HIS A 29 5.924 -13.973 -6.213 1.00 0.00 C ATOM 444 CG HIS A 29 5.902 -12.932 -7.297 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.395 -13.189 -8.560 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.323 -11.624 -7.319 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.521 -12.061 -9.284 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.081 -11.078 -8.576 1.00 0.00 N ATOM 0 H HIS A 29 3.779 -13.038 -5.392 1.00 0.00 H new ATOM 0 HA HIS A 29 4.397 -15.067 -7.269 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.050 -13.498 -5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.773 -14.642 -6.353 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.773 -11.100 -6.488 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.207 -11.963 -10.313 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.287 -10.129 -8.889 1.00 0.00 H new ATOM 647 N LYS B 9 -4.499 15.559 -2.101 1.00 0.00 N ATOM 648 CA LYS B 9 -3.346 14.696 -2.348 1.00 0.00 C ATOM 649 C LYS B 9 -3.283 13.579 -1.311 1.00 0.00 C ATOM 650 O LYS B 9 -3.041 12.419 -1.643 1.00 0.00 O ATOM 651 CB LYS B 9 -2.050 15.505 -2.289 1.00 0.00 C ATOM 652 CG LYS B 9 -2.077 16.592 -3.366 1.00 0.00 C ATOM 653 CD LYS B 9 -1.776 15.970 -4.731 1.00 0.00 C ATOM 654 CE LYS B 9 -1.050 16.989 -5.610 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.988 16.483 -7.009 1.00 0.00 N ATOM 0 HA LYS B 9 -3.458 14.262 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.936 15.957 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.192 14.849 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -3.053 17.077 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.342 17.364 -3.137 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.162 15.078 -4.608 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -2.703 15.655 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.570 17.946 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.043 17.162 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.494 17.176 -7.607 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -0.473 15.579 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -1.953 16.340 -7.369 1.00 0.00 H new ATOM 669 N ASN B 10 -3.501 13.944 -0.051 1.00 0.00 N ATOM 670 CA ASN B 10 -3.466 12.965 1.032 1.00 0.00 C ATOM 671 C ASN B 10 -4.565 11.922 0.846 1.00 0.00 C ATOM 672 O ASN B 10 -4.391 10.749 1.175 1.00 0.00 O ATOM 673 CB ASN B 10 -3.659 13.653 2.384 1.00 0.00 C ATOM 674 CG ASN B 10 -2.306 14.105 2.924 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.589 13.327 3.552 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.911 15.331 2.712 1.00 0.00 N ATOM 0 H ASN B 10 -3.702 14.900 0.244 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.492 12.476 1.009 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.324 14.510 2.276 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -4.133 12.969 3.088 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -1.008 15.644 3.067 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.506 15.976 2.191 1.00 0.00 H new ATOM 683 N ASP B 11 -5.701 12.366 0.314 1.00 0.00 N ATOM 684 CA ASP B 11 -6.827 11.464 0.086 1.00 0.00 C ATOM 685 C ASP B 11 -6.467 10.415 -0.963 1.00 0.00 C ATOM 686 O ASP B 11 -6.820 9.244 -0.835 1.00 0.00 O ATOM 687 CB ASP B 11 -8.051 12.246 -0.392 1.00 0.00 C ATOM 688 CG ASP B 11 -8.814 12.784 0.814 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.169 13.156 1.780 1.00 0.00 O ATOM 690 OD2 ASP B 11 -10.032 12.817 0.753 1.00 0.00 O ATOM 0 H ASP B 11 -5.866 13.333 0.035 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.058 10.970 1.030 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.741 13.069 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.698 11.601 -0.987 1.00 0.00 H new ATOM 695 N THR B 12 -5.759 10.854 -2.001 1.00 0.00 N ATOM 696 CA THR B 12 -5.355 9.945 -3.071 1.00 0.00 C ATOM 697 C THR B 12 -4.440 8.853 -2.525 1.00 0.00 C ATOM 698 O THR B 12 -4.460 7.715 -2.991 1.00 0.00 O ATOM 699 CB THR B 12 -4.617 10.709 -4.172 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.171 12.011 -4.294 1.00 0.00 O ATOM 701 CG2 THR B 12 -4.760 9.963 -5.499 1.00 0.00 C ATOM 0 H THR B 12 -5.456 11.820 -2.124 1.00 0.00 H new ATOM 0 HA THR B 12 -6.255 9.491 -3.485 1.00 0.00 H new ATOM 0 HB THR B 12 -3.560 10.786 -3.916 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.699 12.503 -4.998 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.234 10.509 -6.282 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.333 8.965 -5.403 1.00 0.00 H new ATOM 0 HG23 THR B 12 -5.815 9.883 -5.759 1.00 0.00 H new ATOM 709 N HIS B 13 -3.635 9.216 -1.528 1.00 0.00 N ATOM 710 CA HIS B 13 -2.713 8.260 -0.921 1.00 0.00 C ATOM 711 C HIS B 13 -3.457 7.335 0.038 1.00 0.00 C ATOM 712 O HIS B 13 -3.106 6.166 0.193 1.00 0.00 O ATOM 713 CB HIS B 13 -1.613 8.992 -0.151 1.00 0.00 C ATOM 714 CG HIS B 13 -0.755 9.764 -1.115 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.027 9.137 -2.073 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.543 11.110 -1.282 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.667 10.098 -2.767 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.353 11.319 -2.325 1.00 0.00 N ATOM 0 H HIS B 13 -3.602 10.154 -1.128 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.266 7.671 -1.722 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.055 9.668 0.581 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.004 8.277 0.402 1.00 0.00 H new ATOM 0 HD1 HIS B 13 0.104 8.131 -2.225 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -1.003 11.889 -0.692 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.350 9.905 -3.581 1.00 0.00 H new ATOM 726 N GLN B 14 -4.490 7.875 0.678 1.00 0.00 N ATOM 727 CA GLN B 14 -5.282 7.093 1.622 1.00 0.00 C ATOM 728 C GLN B 14 -6.063 6.005 0.893 1.00 0.00 C ATOM 729 O GLN B 14 -6.040 4.837 1.281 1.00 0.00 O ATOM 730 CB GLN B 14 -6.265 7.993 2.374 1.00 0.00 C ATOM 731 CG GLN B 14 -6.581 7.378 3.738 1.00 0.00 C ATOM 732 CD GLN B 14 -6.800 8.488 4.761 1.00 0.00 C ATOM 733 OE1 GLN B 14 -7.729 9.285 4.631 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.990 8.590 5.779 1.00 0.00 N ATOM 0 H GLN B 14 -4.796 8.841 0.562 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.596 6.633 2.333 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.838 8.988 2.502 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -7.181 8.111 1.796 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -7.471 6.753 3.669 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.762 6.733 4.056 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.220 7.929 5.886 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -6.127 9.330 6.467 1.00 0.00 H new ATOM 743 N GLN B 15 -6.759 6.404 -0.169 1.00 0.00 N ATOM 744 CA GLN B 15 -7.550 5.456 -0.951 1.00 0.00 C ATOM 745 C GLN B 15 -6.656 4.367 -1.540 1.00 0.00 C ATOM 746 O GLN B 15 -7.028 3.194 -1.580 1.00 0.00 O ATOM 747 CB GLN B 15 -8.288 6.173 -2.088 1.00 0.00 C ATOM 748 CG GLN B 15 -7.285 6.899 -2.990 1.00 0.00 C ATOM 749 CD GLN B 15 -8.036 7.673 -4.066 1.00 0.00 C ATOM 750 OE1 GLN B 15 -8.611 8.727 -3.796 1.00 0.00 O ATOM 751 NE2 GLN B 15 -8.067 7.208 -5.286 1.00 0.00 N ATOM 0 H GLN B 15 -6.792 7.366 -0.506 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.280 5.000 -0.282 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.860 5.452 -2.673 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -9.002 6.887 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -6.673 7.580 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -6.607 6.180 -3.450 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -7.591 6.335 -5.511 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -8.567 7.718 -6.014 1.00 0.00 H new ATOM 760 N ASP B 16 -5.472 4.766 -1.992 1.00 0.00 N ATOM 761 CA ASP B 16 -4.528 3.813 -2.574 1.00 0.00 C ATOM 762 C ASP B 16 -3.994 2.877 -1.498 1.00 0.00 C ATOM 763 O ASP B 16 -3.871 1.669 -1.706 1.00 0.00 O ATOM 764 CB ASP B 16 -3.355 4.549 -3.225 1.00 0.00 C ATOM 765 CG ASP B 16 -2.763 3.682 -4.331 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.270 3.741 -5.439 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.810 2.972 -4.053 1.00 0.00 O ATOM 0 H ASP B 16 -5.144 5.731 -1.968 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.055 3.234 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.692 5.501 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.594 4.775 -2.478 1.00 0.00 H new ATOM 772 N ILE B 17 -3.677 3.450 -0.340 1.00 0.00 N ATOM 773 CA ILE B 17 -3.158 2.665 0.777 1.00 0.00 C ATOM 774 C ILE B 17 -4.188 1.628 1.218 1.00 0.00 C ATOM 775 O ILE B 17 -4.029 0.427 0.991 1.00 0.00 O ATOM 776 CB ILE B 17 -2.806 3.602 1.960 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.433 4.230 1.706 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.770 2.837 3.300 1.00 0.00 C ATOM 779 CD1 ILE B 17 -1.163 5.309 2.758 1.00 0.00 C ATOM 0 H ILE B 17 -3.769 4.448 -0.151 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.256 2.145 0.454 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.577 4.370 2.028 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.658 3.465 1.747 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.399 4.664 0.707 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.520 3.527 4.106 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.747 2.393 3.492 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.018 2.050 3.250 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -0.186 5.756 2.578 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.932 6.079 2.695 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.179 4.861 3.751 1.00 0.00 H new ATOM 791 N ASP B 18 -5.232 2.116 1.887 1.00 0.00 N ATOM 792 CA ASP B 18 -6.289 1.253 2.413 1.00 0.00 C ATOM 793 C ASP B 18 -6.726 0.192 1.396 1.00 0.00 C ATOM 794 O ASP B 18 -7.143 -0.906 1.766 1.00 0.00 O ATOM 795 CB ASP B 18 -7.505 2.096 2.814 1.00 0.00 C ATOM 796 CG ASP B 18 -7.437 2.423 4.303 1.00 0.00 C ATOM 797 OD1 ASP B 18 -7.401 1.493 5.092 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.423 3.599 4.632 1.00 0.00 O ATOM 0 H ASP B 18 -5.369 3.109 2.078 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.882 0.740 3.285 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.530 3.016 2.231 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.424 1.554 2.593 1.00 0.00 H new ATOM 803 N ASP B 19 -6.624 0.533 0.115 1.00 0.00 N ATOM 804 CA ASP B 19 -7.008 -0.400 -0.942 1.00 0.00 C ATOM 805 C ASP B 19 -5.953 -1.491 -1.094 1.00 0.00 C ATOM 806 O ASP B 19 -6.273 -2.663 -1.286 1.00 0.00 O ATOM 807 CB ASP B 19 -7.167 0.333 -2.277 1.00 0.00 C ATOM 808 CG ASP B 19 -7.762 -0.615 -3.313 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.954 -0.868 -3.240 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.018 -1.075 -4.163 1.00 0.00 O ATOM 0 H ASP B 19 -6.283 1.436 -0.215 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.961 -0.850 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.812 1.202 -2.152 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.200 0.701 -2.619 1.00 0.00 H new ATOM 815 N LEU B 20 -4.688 -1.089 -1.003 1.00 0.00 N ATOM 816 CA LEU B 20 -3.585 -2.039 -1.130 1.00 0.00 C ATOM 817 C LEU B 20 -3.590 -3.014 0.042 1.00 0.00 C ATOM 818 O LEU B 20 -3.415 -4.220 -0.134 1.00 0.00 O ATOM 819 CB LEU B 20 -2.244 -1.302 -1.157 1.00 0.00 C ATOM 820 CG LEU B 20 -2.083 -0.584 -2.498 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.988 0.479 -2.379 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.695 -1.597 -3.576 1.00 0.00 C ATOM 0 H LEU B 20 -4.402 -0.123 -0.844 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.717 -2.587 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.196 -0.583 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.426 -2.007 -1.010 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.025 -0.107 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.873 0.991 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.264 1.201 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.046 0.002 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.580 -1.085 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.753 -2.074 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.474 -2.354 -3.661 1.00 0.00 H new ATOM 834 N LYS B 21 -3.791 -2.477 1.242 1.00 0.00 N ATOM 835 CA LYS B 21 -3.816 -3.305 2.446 1.00 0.00 C ATOM 836 C LYS B 21 -4.948 -4.327 2.370 1.00 0.00 C ATOM 837 O LYS B 21 -4.850 -5.422 2.922 1.00 0.00 O ATOM 838 CB LYS B 21 -4.013 -2.435 3.689 1.00 0.00 C ATOM 839 CG LYS B 21 -2.876 -1.415 3.784 1.00 0.00 C ATOM 840 CD LYS B 21 -2.957 -0.683 5.123 1.00 0.00 C ATOM 841 CE LYS B 21 -1.589 -0.092 5.466 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.702 -1.168 5.992 1.00 0.00 N ATOM 0 H LYS B 21 -3.938 -1.481 1.407 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.861 -3.826 2.514 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.973 -1.921 3.638 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.032 -3.058 4.583 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.914 -1.918 3.690 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.944 -0.701 2.963 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.704 0.109 5.072 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.274 -1.371 5.907 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.144 0.361 4.580 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.698 0.699 6.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.106 -0.740 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -1.237 -1.766 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -0.356 -1.750 5.202 1.00 0.00 H new ATOM 856 N ARG B 22 -6.024 -3.957 1.681 1.00 0.00 N ATOM 857 CA ARG B 22 -7.171 -4.851 1.540 1.00 0.00 C ATOM 858 C ARG B 22 -6.796 -6.070 0.702 1.00 0.00 C ATOM 859 O ARG B 22 -6.943 -7.211 1.140 1.00 0.00 O ATOM 860 CB ARG B 22 -8.338 -4.123 0.870 1.00 0.00 C ATOM 861 CG ARG B 22 -9.607 -4.975 0.974 1.00 0.00 C ATOM 862 CD ARG B 22 -9.828 -5.733 -0.338 1.00 0.00 C ATOM 863 NE ARG B 22 -10.600 -4.918 -1.280 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.167 -5.442 -2.376 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.056 -6.719 -2.656 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.844 -4.668 -3.179 1.00 0.00 N ATOM 0 H ARG B 22 -6.127 -3.055 1.216 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.471 -5.174 2.537 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.498 -3.156 1.347 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.104 -3.928 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.517 -5.679 1.801 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.467 -4.340 1.188 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.866 -5.996 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.354 -6.667 -0.141 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.709 -3.921 -1.096 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.530 -7.334 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.495 -7.097 -3.495 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.938 -3.674 -2.970 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.279 -5.057 -4.016 1.00 0.00 H new ATOM 880 N GLN B 23 -6.309 -5.814 -0.509 1.00 0.00 N ATOM 881 CA GLN B 23 -5.914 -6.897 -1.406 1.00 0.00 C ATOM 882 C GLN B 23 -4.774 -7.705 -0.793 1.00 0.00 C ATOM 883 O GLN B 23 -4.715 -8.927 -0.932 1.00 0.00 O ATOM 884 CB GLN B 23 -5.460 -6.336 -2.755 1.00 0.00 C ATOM 885 CG GLN B 23 -5.821 -7.323 -3.868 1.00 0.00 C ATOM 886 CD GLN B 23 -4.795 -8.450 -3.902 1.00 0.00 C ATOM 887 OE1 GLN B 23 -3.598 -8.204 -4.052 1.00 0.00 O ATOM 888 NE2 GLN B 23 -5.194 -9.685 -3.772 1.00 0.00 N ATOM 0 H GLN B 23 -6.179 -4.877 -0.889 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.779 -7.544 -1.556 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.937 -5.374 -2.939 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.384 -6.161 -2.744 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -6.818 -7.730 -3.698 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.845 -6.810 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.185 -9.890 -3.648 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -4.515 -10.445 -3.795 1.00 0.00 H new ATOM 897 N ASN B 24 -3.869 -7.008 -0.115 1.00 0.00 N ATOM 898 CA ASN B 24 -2.729 -7.666 0.517 1.00 0.00 C ATOM 899 C ASN B 24 -3.167 -8.401 1.783 1.00 0.00 C ATOM 900 O ASN B 24 -2.572 -9.409 2.166 1.00 0.00 O ATOM 901 CB ASN B 24 -1.657 -6.639 0.884 1.00 0.00 C ATOM 902 CG ASN B 24 -1.138 -5.961 -0.382 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.740 -6.071 -1.452 1.00 0.00 O ATOM 904 ND2 ASN B 24 -0.044 -5.255 -0.323 1.00 0.00 N ATOM 0 H ASN B 24 -3.900 -5.996 0.011 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.319 -8.383 -0.194 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.071 -5.894 1.563 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.836 -7.128 1.409 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.312 -4.795 -1.161 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.456 -5.162 0.561 1.00 0.00 H new ATOM 911 N ALA B 25 -4.209 -7.884 2.430 1.00 0.00 N ATOM 912 CA ALA B 25 -4.718 -8.496 3.657 1.00 0.00 C ATOM 913 C ALA B 25 -5.150 -9.939 3.404 1.00 0.00 C ATOM 914 O ALA B 25 -4.656 -10.869 4.039 1.00 0.00 O ATOM 915 CB ALA B 25 -5.915 -7.707 4.192 1.00 0.00 C ATOM 0 H ALA B 25 -4.714 -7.050 2.129 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.913 -8.484 4.392 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -6.281 -8.176 5.105 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.609 -6.683 4.408 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.709 -7.699 3.445 1.00 0.00 H new ATOM 921 N LEU B 26 -6.078 -10.113 2.468 1.00 0.00 N ATOM 922 CA LEU B 26 -6.569 -11.449 2.140 1.00 0.00 C ATOM 923 C LEU B 26 -5.440 -12.313 1.578 1.00 0.00 C ATOM 924 O LEU B 26 -5.428 -13.532 1.750 1.00 0.00 O ATOM 925 CB LEU B 26 -7.702 -11.369 1.111 1.00 0.00 C ATOM 926 CG LEU B 26 -7.216 -10.628 -0.139 1.00 0.00 C ATOM 927 CD1 LEU B 26 -6.785 -11.641 -1.201 1.00 0.00 C ATOM 928 CD2 LEU B 26 -8.352 -9.764 -0.694 1.00 0.00 C ATOM 0 H LEU B 26 -6.501 -9.357 1.929 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.947 -11.901 3.057 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.035 -12.372 0.844 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.560 -10.852 1.541 1.00 0.00 H new ATOM 0 HG LEU B 26 -6.369 -9.994 0.124 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -6.440 -11.112 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.976 -12.258 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -7.631 -12.276 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -8.007 -9.237 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.198 -10.399 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.660 -9.040 0.060 1.00 0.00 H new ATOM 940 N LEU B 27 -4.493 -11.667 0.901 1.00 0.00 N ATOM 941 CA LEU B 27 -3.365 -12.384 0.314 1.00 0.00 C ATOM 942 C LEU B 27 -2.513 -13.033 1.401 1.00 0.00 C ATOM 943 O LEU B 27 -2.433 -14.258 1.496 1.00 0.00 O ATOM 944 CB LEU B 27 -2.489 -11.430 -0.500 1.00 0.00 C ATOM 945 CG LEU B 27 -3.058 -11.294 -1.912 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.283 -10.218 -2.676 1.00 0.00 C ATOM 947 CD2 LEU B 27 -2.925 -12.631 -2.644 1.00 0.00 C ATOM 0 H LEU B 27 -4.484 -10.659 0.747 1.00 0.00 H new ATOM 0 HA LEU B 27 -3.767 -13.158 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.450 -10.454 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.467 -11.806 -0.543 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.109 -11.011 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -2.690 -10.122 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.375 -9.265 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.232 -10.500 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.330 -12.536 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -1.873 -12.912 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.477 -13.399 -2.102 1.00 0.00 H new ATOM 959 N GLU B 28 -1.872 -12.199 2.218 1.00 0.00 N ATOM 960 CA GLU B 28 -1.022 -12.692 3.294 1.00 0.00 C ATOM 961 C GLU B 28 -1.811 -13.585 4.249 1.00 0.00 C ATOM 962 O GLU B 28 -1.268 -14.516 4.842 1.00 0.00 O ATOM 963 CB GLU B 28 -0.434 -11.515 4.071 1.00 0.00 C ATOM 964 CG GLU B 28 -1.563 -10.630 4.605 1.00 0.00 C ATOM 965 CD GLU B 28 -1.107 -9.175 4.620 1.00 0.00 C ATOM 966 OE1 GLU B 28 -0.470 -8.765 3.664 1.00 0.00 O ATOM 967 OE2 GLU B 28 -1.403 -8.492 5.587 1.00 0.00 O ATOM 0 H GLU B 28 -1.926 -11.182 2.154 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.219 -13.280 2.850 1.00 0.00 H new ATOM 0 HB2 GLU B 28 0.175 -11.881 4.897 1.00 0.00 H new ATOM 0 HB3 GLU B 28 0.222 -10.932 3.425 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -2.450 -10.738 3.980 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -1.841 -10.945 5.611 1.00 0.00 H new ATOM 974 N GLN B 29 -3.102 -13.287 4.390 1.00 0.00 N ATOM 975 CA GLN B 29 -3.965 -14.069 5.277 1.00 0.00 C ATOM 976 C GLN B 29 -3.961 -15.541 4.868 1.00 0.00 C ATOM 977 O GLN B 29 -4.074 -16.434 5.707 1.00 0.00 O ATOM 978 CB GLN B 29 -5.402 -13.544 5.231 1.00 0.00 C ATOM 979 CG GLN B 29 -6.237 -14.235 6.309 1.00 0.00 C ATOM 980 CD GLN B 29 -7.450 -13.374 6.645 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.392 -12.148 6.562 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.559 -13.949 7.024 1.00 0.00 N ATOM 0 H GLN B 29 -3.570 -12.519 3.908 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.576 -13.972 6.291 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.411 -12.465 5.386 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -5.835 -13.728 4.248 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.560 -15.216 5.960 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.634 -14.397 7.203 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -8.609 -14.965 7.093 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.376 -13.382 7.251 1.00 0.00 H new ATOM 991 N GLN B 30 -3.822 -15.779 3.567 1.00 0.00 N ATOM 992 CA GLN B 30 -3.795 -17.145 3.050 1.00 0.00 C ATOM 993 C GLN B 30 -2.377 -17.701 3.106 1.00 0.00 C ATOM 994 O GLN B 30 -2.169 -18.898 3.311 1.00 0.00 O ATOM 995 CB GLN B 30 -4.289 -17.182 1.603 1.00 0.00 C ATOM 996 CG GLN B 30 -5.805 -17.385 1.587 1.00 0.00 C ATOM 997 CD GLN B 30 -6.502 -16.058 1.869 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.449 -15.546 2.987 1.00 0.00 O ATOM 999 NE2 GLN B 30 -7.156 -15.462 0.909 1.00 0.00 N ATOM 0 H GLN B 30 -3.727 -15.053 2.857 1.00 0.00 H new ATOM 0 HA GLN B 30 -4.452 -17.755 3.670 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.030 -16.253 1.095 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -3.797 -17.989 1.060 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.120 -17.774 0.619 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.091 -18.124 2.336 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.200 -15.886 -0.018 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -7.623 -14.572 1.086 1.00 0.00 H new ATOM 1008 N VAL B 31 -1.399 -16.816 2.921 1.00 0.00 N ATOM 1009 CA VAL B 31 0.003 -17.222 2.952 1.00 0.00 C ATOM 1010 C VAL B 31 0.405 -17.632 4.367 1.00 0.00 C ATOM 1011 O VAL B 31 1.218 -18.537 4.559 1.00 0.00 O ATOM 1012 CB VAL B 31 0.903 -16.072 2.490 1.00 0.00 C ATOM 1013 CG1 VAL B 31 2.345 -16.565 2.361 1.00 0.00 C ATOM 1014 CG2 VAL B 31 0.418 -15.562 1.130 1.00 0.00 C ATOM 0 H VAL B 31 -1.550 -15.822 2.750 1.00 0.00 H new ATOM 0 HA VAL B 31 0.125 -18.070 2.279 1.00 0.00 H new ATOM 0 HB VAL B 31 0.861 -15.265 3.221 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.982 -15.744 2.032 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.693 -16.929 3.328 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.389 -17.373 1.631 1.00 0.00 H new ATOM 0 HG21 VAL B 31 1.057 -14.743 0.799 1.00 0.00 H new ATOM 0 HG22 VAL B 31 0.460 -16.372 0.402 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -0.609 -15.207 1.220 1.00 0.00 H new ATOM 1024 N ARG B 32 -0.173 -16.954 5.354 1.00 0.00 N ATOM 1025 CA ARG B 32 0.130 -17.251 6.753 1.00 0.00 C ATOM 1026 C ARG B 32 -0.248 -18.691 7.088 1.00 0.00 C ATOM 1027 O ARG B 32 0.393 -19.339 7.915 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.638 -16.305 7.679 1.00 0.00 C ATOM 1029 CG ARG B 32 0.202 -16.018 8.927 1.00 0.00 C ATOM 1030 CD ARG B 32 -0.151 -17.020 10.028 1.00 0.00 C ATOM 1031 NE ARG B 32 -1.133 -16.448 10.952 1.00 0.00 N ATOM 1032 CZ ARG B 32 -1.477 -17.060 12.095 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -0.946 -18.209 12.438 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -2.358 -16.502 12.881 1.00 0.00 N ATOM 0 H ARG B 32 -0.848 -16.202 5.215 1.00 0.00 H new ATOM 0 HA ARG B 32 1.201 -17.114 6.901 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -0.865 -15.375 7.159 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -1.591 -16.752 7.964 1.00 0.00 H new ATOM 0 HG2 ARG B 32 1.263 -16.086 8.687 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.019 -15.001 9.275 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -0.551 -17.931 9.583 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.750 -17.300 10.574 1.00 0.00 H new ATOM 0 HE ARG B 32 -1.569 -15.556 10.719 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -0.257 -18.654 11.831 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -1.222 -18.658 13.312 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -2.778 -15.609 12.624 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -2.626 -16.959 13.752 1.00 0.00 H new ATOM 1048 N ALA B 33 -1.296 -19.184 6.434 1.00 0.00 N ATOM 1049 CA ALA B 33 -1.753 -20.551 6.668 1.00 0.00 C ATOM 1050 C ALA B 33 -0.697 -21.550 6.208 1.00 0.00 C ATOM 1051 O ALA B 33 -0.538 -22.622 6.794 1.00 0.00 O ATOM 1052 CB ALA B 33 -3.054 -20.818 5.910 1.00 0.00 C ATOM 0 H ALA B 33 -1.840 -18.664 5.745 1.00 0.00 H new ATOM 0 HA ALA B 33 -1.926 -20.670 7.738 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -3.380 -21.841 6.096 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -3.823 -20.125 6.251 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.888 -20.679 4.842 1.00 0.00 H new ATOM 1058 N LEU B 34 0.026 -21.185 5.153 1.00 0.00 N ATOM 1059 CA LEU B 34 1.070 -22.056 4.618 1.00 0.00 C ATOM 1060 C LEU B 34 2.219 -22.177 5.614 1.00 0.00 C ATOM 1061 O LEU B 34 2.783 -23.257 5.802 1.00 0.00 O ATOM 1062 CB LEU B 34 1.605 -21.495 3.290 1.00 0.00 C ATOM 1063 CG LEU B 34 0.921 -22.185 2.099 1.00 0.00 C ATOM 1064 CD1 LEU B 34 1.223 -23.685 2.120 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -0.595 -21.966 2.170 1.00 0.00 C ATOM 0 H LEU B 34 -0.089 -20.302 4.656 1.00 0.00 H new ATOM 0 HA LEU B 34 0.638 -23.041 4.444 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.429 -20.420 3.245 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.683 -21.644 3.234 1.00 0.00 H new ATOM 0 HG LEU B 34 1.305 -21.755 1.174 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.735 -24.166 1.273 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.300 -23.840 2.054 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.850 -24.118 3.048 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -1.074 -22.458 1.323 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -0.980 -22.387 3.099 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.810 -20.898 2.139 1.00 0.00 H new