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= -0.0322 X(o=-0.032,f=-0.18) USER MOD Single : A 11 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.013) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.0077) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -3.2 X(o=-3.2,f=-3.5!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.51 K(o=-1.5,f=-6.8!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : B 13 HIS : no HE2:sc= -2.09 K(o=-2.1,f=-5.1!) USER MOD Single : B 14 GLN : amide:sc= -0.748 K(o=-0.75,f=-4.6!) USER MOD Single : B 15 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.937 K(o=-0.94,f=-5!) USER MOD Single : B 24 ASN : amide:sc= -1.19 K(o=-1.2,f=-9.6!) USER MOD Single : B 29 GLN : amide:sc= -0.986 K(o=-0.99,f=-2.5!) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.980 17.974 3.456 1.00 0.00 N ATOM 48 CA GLN A 7 5.979 17.348 2.591 1.00 0.00 C ATOM 49 C GLN A 7 6.537 16.084 3.238 1.00 0.00 C ATOM 50 O GLN A 7 6.837 15.102 2.558 1.00 0.00 O ATOM 51 CB GLN A 7 7.132 18.316 2.319 1.00 0.00 C ATOM 52 CG GLN A 7 6.606 19.541 1.569 1.00 0.00 C ATOM 53 CD GLN A 7 6.421 19.195 0.095 1.00 0.00 C ATOM 54 OE1 GLN A 7 5.347 18.757 -0.316 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.417 19.365 -0.733 1.00 0.00 N ATOM 0 HA GLN A 7 5.490 17.088 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.593 18.622 3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.905 17.821 1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.658 19.865 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.304 20.372 1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.307 19.728 -0.392 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.304 19.135 -1.720 1.00 0.00 H new ATOM 64 N ALA A 8 6.672 16.120 4.560 1.00 0.00 N ATOM 65 CA ALA A 8 7.197 14.972 5.295 1.00 0.00 C ATOM 66 C ALA A 8 6.108 13.920 5.486 1.00 0.00 C ATOM 67 O ALA A 8 6.341 12.725 5.306 1.00 0.00 O ATOM 68 CB ALA A 8 7.716 15.406 6.665 1.00 0.00 C ATOM 0 H ALA A 8 6.428 16.923 5.140 1.00 0.00 H new ATOM 0 HA ALA A 8 8.016 14.547 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.103 14.538 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.513 16.139 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.903 15.851 7.238 1.00 0.00 H new ATOM 74 N GLU A 9 4.916 14.382 5.854 1.00 0.00 N ATOM 75 CA GLU A 9 3.792 13.475 6.070 1.00 0.00 C ATOM 76 C GLU A 9 3.387 12.804 4.761 1.00 0.00 C ATOM 77 O GLU A 9 3.193 11.589 4.703 1.00 0.00 O ATOM 78 CB GLU A 9 2.591 14.237 6.631 1.00 0.00 C ATOM 79 CG GLU A 9 2.730 14.367 8.148 1.00 0.00 C ATOM 80 CD GLU A 9 2.263 13.076 8.815 1.00 0.00 C ATOM 81 OE1 GLU A 9 3.070 12.168 8.931 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.106 13.015 9.196 1.00 0.00 O ATOM 0 H GLU A 9 4.704 15.368 6.008 1.00 0.00 H new ATOM 0 HA GLU A 9 4.107 12.715 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.529 15.225 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.667 13.714 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.768 14.571 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.138 15.209 8.507 1.00 0.00 H new ATOM 89 N GLU A 10 3.260 13.611 3.711 1.00 0.00 N ATOM 90 CA GLU A 10 2.875 13.090 2.401 1.00 0.00 C ATOM 91 C GLU A 10 3.893 12.063 1.911 1.00 0.00 C ATOM 92 O GLU A 10 3.542 11.092 1.242 1.00 0.00 O ATOM 93 CB GLU A 10 2.786 14.228 1.380 1.00 0.00 C ATOM 94 CG GLU A 10 2.159 13.703 0.085 1.00 0.00 C ATOM 95 CD GLU A 10 2.653 14.538 -1.091 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.291 15.700 -1.162 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.387 14.001 -1.905 1.00 0.00 O ATOM 0 H GLU A 10 3.416 14.619 3.739 1.00 0.00 H new ATOM 0 HA GLU A 10 1.900 12.613 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.187 15.045 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.779 14.630 1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.423 12.656 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.072 13.751 0.149 1.00 0.00 H new ATOM 104 N GLN A 11 5.157 12.290 2.256 1.00 0.00 N ATOM 105 CA GLN A 11 6.223 11.379 1.848 1.00 0.00 C ATOM 106 C GLN A 11 5.990 9.989 2.435 1.00 0.00 C ATOM 107 O GLN A 11 6.202 8.975 1.772 1.00 0.00 O ATOM 108 CB GLN A 11 7.582 11.896 2.323 1.00 0.00 C ATOM 109 CG GLN A 11 8.680 11.403 1.375 1.00 0.00 C ATOM 110 CD GLN A 11 9.012 12.496 0.365 1.00 0.00 C ATOM 111 OE1 GLN A 11 8.912 12.283 -0.844 1.00 0.00 O ATOM 112 NE2 GLN A 11 9.406 13.664 0.791 1.00 0.00 N ATOM 0 H GLN A 11 5.467 13.088 2.811 1.00 0.00 H new ATOM 0 HA GLN A 11 6.216 11.322 0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.577 12.986 2.354 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.780 11.549 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.571 11.135 1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.350 10.503 0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.489 13.840 1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.631 14.401 0.123 1.00 0.00 H new ATOM 121 N LYS A 12 5.548 9.958 3.690 1.00 0.00 N ATOM 122 CA LYS A 12 5.286 8.690 4.365 1.00 0.00 C ATOM 123 C LYS A 12 4.158 7.936 3.666 1.00 0.00 C ATOM 124 O LYS A 12 4.207 6.715 3.518 1.00 0.00 O ATOM 125 CB LYS A 12 4.894 8.931 5.823 1.00 0.00 C ATOM 126 CG LYS A 12 6.152 9.212 6.650 1.00 0.00 C ATOM 127 CD LYS A 12 6.674 7.904 7.246 1.00 0.00 C ATOM 128 CE LYS A 12 5.747 7.450 8.375 1.00 0.00 C ATOM 129 NZ LYS A 12 6.545 6.754 9.424 1.00 0.00 N ATOM 0 H LYS A 12 5.365 10.787 4.255 1.00 0.00 H new ATOM 0 HA LYS A 12 6.199 8.095 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.205 9.773 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.372 8.060 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.917 9.669 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.926 9.922 7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.727 7.136 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.686 8.044 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.232 8.309 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.980 6.782 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.915 6.445 10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.017 5.925 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.261 7.405 9.805 1.00 0.00 H new ATOM 143 N LEU A 13 3.142 8.679 3.236 1.00 0.00 N ATOM 144 CA LEU A 13 2.002 8.074 2.551 1.00 0.00 C ATOM 145 C LEU A 13 2.454 7.400 1.259 1.00 0.00 C ATOM 146 O LEU A 13 2.060 6.273 0.958 1.00 0.00 O ATOM 147 CB LEU A 13 0.951 9.135 2.217 1.00 0.00 C ATOM 148 CG LEU A 13 0.004 9.309 3.407 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.626 10.703 3.360 1.00 0.00 C ATOM 150 CD2 LEU A 13 -1.100 8.251 3.339 1.00 0.00 C ATOM 0 H LEU A 13 3.084 9.691 3.348 1.00 0.00 H new ATOM 0 HA LEU A 13 1.566 7.330 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.437 10.082 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.389 8.839 1.332 1.00 0.00 H new ATOM 0 HG LEU A 13 0.564 9.194 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.300 10.826 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.158 11.458 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.185 10.818 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.775 8.374 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.659 8.367 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.654 7.257 3.372 1.00 0.00 H new ATOM 162 N ILE A 14 3.285 8.105 0.496 1.00 0.00 N ATOM 163 CA ILE A 14 3.787 7.569 -0.767 1.00 0.00 C ATOM 164 C ILE A 14 4.658 6.339 -0.514 1.00 0.00 C ATOM 165 O ILE A 14 4.461 5.288 -1.124 1.00 0.00 O ATOM 166 CB ILE A 14 4.610 8.632 -1.505 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.744 9.871 -1.736 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.079 8.085 -2.858 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.604 10.998 -2.312 1.00 0.00 C ATOM 0 H ILE A 14 3.623 9.040 0.726 1.00 0.00 H new ATOM 0 HA ILE A 14 2.933 7.283 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 14 5.480 8.894 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.929 9.635 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.290 10.190 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.663 8.846 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.696 7.201 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.212 7.819 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.985 11.880 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.403 11.240 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.037 10.677 -3.259 1.00 0.00 H new ATOM 181 N SER A 15 5.627 6.486 0.385 1.00 0.00 N ATOM 182 CA SER A 15 6.531 5.380 0.704 1.00 0.00 C ATOM 183 C SER A 15 5.750 4.171 1.213 1.00 0.00 C ATOM 184 O SER A 15 5.975 3.041 0.778 1.00 0.00 O ATOM 185 CB SER A 15 7.538 5.805 1.771 1.00 0.00 C ATOM 186 OG SER A 15 8.508 6.664 1.185 1.00 0.00 O ATOM 0 H SER A 15 5.807 7.347 0.901 1.00 0.00 H new ATOM 0 HA SER A 15 7.059 5.108 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.027 6.317 2.586 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.023 4.928 2.200 1.00 0.00 H new ATOM 0 HG SER A 15 9.155 6.940 1.867 1.00 0.00 H new ATOM 192 N GLU A 16 4.827 4.421 2.139 1.00 0.00 N ATOM 193 CA GLU A 16 4.016 3.342 2.699 1.00 0.00 C ATOM 194 C GLU A 16 3.167 2.698 1.609 1.00 0.00 C ATOM 195 O GLU A 16 2.908 1.494 1.632 1.00 0.00 O ATOM 196 CB GLU A 16 3.097 3.881 3.799 1.00 0.00 C ATOM 197 CG GLU A 16 3.797 3.761 5.156 1.00 0.00 C ATOM 198 CD GLU A 16 5.017 4.675 5.185 1.00 0.00 C ATOM 199 OE1 GLU A 16 5.968 4.384 4.477 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.984 5.652 5.914 1.00 0.00 O ATOM 0 H GLU A 16 4.623 5.348 2.513 1.00 0.00 H new ATOM 0 HA GLU A 16 4.688 2.596 3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.845 4.922 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.161 3.323 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.109 4.031 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.099 2.728 5.330 1.00 0.00 H new ATOM 207 N GLU A 17 2.736 3.516 0.651 1.00 0.00 N ATOM 208 CA GLU A 17 1.917 3.019 -0.450 1.00 0.00 C ATOM 209 C GLU A 17 2.780 2.253 -1.448 1.00 0.00 C ATOM 210 O GLU A 17 2.389 1.198 -1.949 1.00 0.00 O ATOM 211 CB GLU A 17 1.231 4.179 -1.173 1.00 0.00 C ATOM 212 CG GLU A 17 0.218 3.629 -2.177 1.00 0.00 C ATOM 213 CD GLU A 17 0.033 4.630 -3.314 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.237 5.783 -3.022 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.163 4.228 -4.458 1.00 0.00 O ATOM 0 H GLU A 17 2.938 4.515 0.615 1.00 0.00 H new ATOM 0 HA GLU A 17 1.161 2.353 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.730 4.825 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.973 4.790 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.564 2.674 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.736 3.443 -1.683 1.00 0.00 H new ATOM 222 N ASP A 18 3.960 2.795 -1.728 1.00 0.00 N ATOM 223 CA ASP A 18 4.878 2.157 -2.666 1.00 0.00 C ATOM 224 C ASP A 18 5.348 0.811 -2.121 1.00 0.00 C ATOM 225 O ASP A 18 5.608 -0.124 -2.877 1.00 0.00 O ATOM 226 CB ASP A 18 6.098 3.047 -2.915 1.00 0.00 C ATOM 227 CG ASP A 18 6.823 2.575 -4.171 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.385 2.934 -5.253 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.804 1.865 -4.034 1.00 0.00 O ATOM 0 H ASP A 18 4.302 3.667 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 18 4.345 2.004 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.787 4.085 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.770 3.009 -2.058 1.00 0.00 H new ATOM 234 N LEU A 19 5.454 0.726 -0.798 1.00 0.00 N ATOM 235 CA LEU A 19 5.892 -0.512 -0.157 1.00 0.00 C ATOM 236 C LEU A 19 4.766 -1.543 -0.162 1.00 0.00 C ATOM 237 O LEU A 19 5.010 -2.748 -0.235 1.00 0.00 O ATOM 238 CB LEU A 19 6.313 -0.244 1.290 1.00 0.00 C ATOM 239 CG LEU A 19 7.268 -1.344 1.757 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.685 -1.029 1.274 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.256 -1.412 3.285 1.00 0.00 C ATOM 0 H LEU A 19 5.246 1.489 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 19 6.742 -0.899 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.799 0.729 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.435 -0.212 1.935 1.00 0.00 H new ATOM 0 HG LEU A 19 6.948 -2.302 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.365 -1.813 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.695 -0.978 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.005 -0.072 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.936 -2.195 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.577 -0.454 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.247 -1.635 3.631 1.00 0.00 H new ATOM 253 N LEU A 20 3.532 -1.056 -0.081 1.00 0.00 N ATOM 254 CA LEU A 20 2.371 -1.942 -0.072 1.00 0.00 C ATOM 255 C LEU A 20 2.101 -2.492 -1.469 1.00 0.00 C ATOM 256 O LEU A 20 1.835 -3.680 -1.643 1.00 0.00 O ATOM 257 CB LEU A 20 1.130 -1.192 0.417 1.00 0.00 C ATOM 258 CG LEU A 20 1.043 -1.285 1.940 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.027 -0.265 2.457 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.597 -2.693 2.343 1.00 0.00 C ATOM 0 H LEU A 20 3.310 -0.062 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 20 2.588 -2.769 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.178 -0.148 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.234 -1.617 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 20 2.022 -1.076 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.035 -0.332 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.342 0.739 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.951 -0.475 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.535 -2.758 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.381 -2.902 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.319 -3.422 1.976 1.00 0.00 H new ATOM 272 N ARG A 21 2.167 -1.612 -2.467 1.00 0.00 N ATOM 273 CA ARG A 21 1.922 -2.022 -3.848 1.00 0.00 C ATOM 274 C ARG A 21 2.940 -3.072 -4.284 1.00 0.00 C ATOM 275 O ARG A 21 2.633 -3.967 -5.070 1.00 0.00 O ATOM 276 CB ARG A 21 2.004 -0.814 -4.789 1.00 0.00 C ATOM 277 CG ARG A 21 3.372 -0.147 -4.662 1.00 0.00 C ATOM 278 CD ARG A 21 3.487 0.988 -5.684 1.00 0.00 C ATOM 279 NE ARG A 21 3.123 0.521 -7.025 1.00 0.00 N ATOM 280 CZ ARG A 21 3.961 -0.205 -7.779 1.00 0.00 C ATOM 281 NH1 ARG A 21 5.155 -0.534 -7.347 1.00 0.00 N ATOM 282 NH2 ARG A 21 3.579 -0.592 -8.965 1.00 0.00 N ATOM 0 H ARG A 21 2.385 -0.623 -2.348 1.00 0.00 H new ATOM 0 HA ARG A 21 0.921 -2.451 -3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.839 -1.132 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.218 -0.099 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.505 0.244 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.162 -0.880 -4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.837 1.813 -5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.507 1.373 -5.693 1.00 0.00 H new ATOM 0 HE ARG A 21 2.203 0.756 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.462 -0.237 -6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.776 -1.087 -7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.652 -0.342 -9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.207 -1.145 -9.548 1.00 0.00 H new ATOM 296 N LYS A 22 4.159 -2.952 -3.761 1.00 0.00 N ATOM 297 CA LYS A 22 5.218 -3.898 -4.100 1.00 0.00 C ATOM 298 C LYS A 22 4.913 -5.268 -3.504 1.00 0.00 C ATOM 299 O LYS A 22 5.152 -6.302 -4.128 1.00 0.00 O ATOM 300 CB LYS A 22 6.567 -3.408 -3.569 1.00 0.00 C ATOM 301 CG LYS A 22 7.680 -3.825 -4.533 1.00 0.00 C ATOM 302 CD LYS A 22 9.024 -3.808 -3.802 1.00 0.00 C ATOM 303 CE LYS A 22 10.141 -4.180 -4.778 1.00 0.00 C ATOM 304 NZ LYS A 22 10.517 -2.984 -5.583 1.00 0.00 N ATOM 0 H LYS A 22 4.435 -2.218 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 22 5.267 -3.976 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.554 -2.324 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.753 -3.826 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.480 -4.822 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.710 -3.147 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.209 -2.820 -3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.006 -4.511 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.008 -4.550 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.811 -4.985 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.277 -3.237 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.689 -2.650 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.848 -2.229 -4.949 1.00 0.00 H new ATOM 318 N ARG A 23 4.378 -5.262 -2.286 1.00 0.00 N ATOM 319 CA ARG A 23 4.037 -6.508 -1.608 1.00 0.00 C ATOM 320 C ARG A 23 2.837 -7.167 -2.280 1.00 0.00 C ATOM 321 O ARG A 23 2.725 -8.392 -2.324 1.00 0.00 O ATOM 322 CB ARG A 23 3.704 -6.247 -0.137 1.00 0.00 C ATOM 323 CG ARG A 23 4.985 -6.308 0.696 1.00 0.00 C ATOM 324 CD ARG A 23 5.403 -7.768 0.881 1.00 0.00 C ATOM 325 NE ARG A 23 4.756 -8.344 2.062 1.00 0.00 N ATOM 326 CZ ARG A 23 5.018 -9.591 2.481 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.872 -10.357 1.846 1.00 0.00 N ATOM 328 NH2 ARG A 23 4.412 -10.050 3.542 1.00 0.00 N ATOM 0 H ARG A 23 4.173 -4.417 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 23 4.900 -7.171 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.233 -5.270 -0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.989 -6.987 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.780 -5.751 0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.823 -5.839 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.134 -8.344 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.486 -7.831 0.986 1.00 0.00 H new ATOM 0 HE ARG A 23 4.085 -7.779 2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.352 -10.008 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.057 -11.302 2.182 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.747 -9.462 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.604 -10.997 3.869 1.00 0.00 H new ATOM 342 N ARG A 24 1.940 -6.336 -2.804 1.00 0.00 N ATOM 343 CA ARG A 24 0.745 -6.842 -3.476 1.00 0.00 C ATOM 344 C ARG A 24 1.133 -7.679 -4.692 1.00 0.00 C ATOM 345 O ARG A 24 0.752 -8.843 -4.809 1.00 0.00 O ATOM 346 CB ARG A 24 -0.142 -5.683 -3.933 1.00 0.00 C ATOM 347 CG ARG A 24 -1.592 -6.162 -4.047 1.00 0.00 C ATOM 348 CD ARG A 24 -2.278 -5.441 -5.210 1.00 0.00 C ATOM 349 NE ARG A 24 -3.694 -5.808 -5.282 1.00 0.00 N ATOM 350 CZ ARG A 24 -4.431 -5.592 -6.381 1.00 0.00 C ATOM 351 NH1 ARG A 24 -3.911 -5.039 -7.451 1.00 0.00 N ATOM 352 NH2 ARG A 24 -5.689 -5.938 -6.387 1.00 0.00 N ATOM 0 H ARG A 24 2.015 -5.319 -2.778 1.00 0.00 H new ATOM 0 HA ARG A 24 0.196 -7.462 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.075 -4.858 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.204 -5.304 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.619 -7.240 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.126 -5.965 -3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.182 -4.363 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.783 -5.697 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.134 -6.242 -4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.929 -4.765 -7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.489 -4.883 -8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.103 -6.369 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.258 -5.778 -7.218 1.00 0.00 H new ATOM 366 N GLU A 25 1.897 -7.070 -5.595 1.00 0.00 N ATOM 367 CA GLU A 25 2.336 -7.765 -6.801 1.00 0.00 C ATOM 368 C GLU A 25 3.195 -8.971 -6.437 1.00 0.00 C ATOM 369 O GLU A 25 3.148 -10.009 -7.100 1.00 0.00 O ATOM 370 CB GLU A 25 3.148 -6.826 -7.697 1.00 0.00 C ATOM 371 CG GLU A 25 3.026 -7.277 -9.153 1.00 0.00 C ATOM 372 CD GLU A 25 3.441 -6.135 -10.076 1.00 0.00 C ATOM 373 OE1 GLU A 25 2.924 -5.043 -9.904 1.00 0.00 O ATOM 374 OE2 GLU A 25 4.268 -6.371 -10.941 1.00 0.00 O ATOM 0 H GLU A 25 2.222 -6.106 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 25 1.448 -8.099 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.787 -5.803 -7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.194 -6.829 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.657 -8.148 -9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.000 -7.577 -9.367 1.00 0.00 H new ATOM 381 N GLN A 26 3.979 -8.823 -5.373 1.00 0.00 N ATOM 382 CA GLN A 26 4.848 -9.906 -4.922 1.00 0.00 C ATOM 383 C GLN A 26 4.014 -11.044 -4.339 1.00 0.00 C ATOM 384 O GLN A 26 4.239 -12.216 -4.645 1.00 0.00 O ATOM 385 CB GLN A 26 5.822 -9.405 -3.856 1.00 0.00 C ATOM 386 CG GLN A 26 6.962 -10.413 -3.691 1.00 0.00 C ATOM 387 CD GLN A 26 8.115 -9.762 -2.938 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.548 -10.260 -1.899 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.645 -8.663 -3.402 1.00 0.00 N ATOM 0 H GLN A 26 4.031 -7.973 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 26 5.411 -10.268 -5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.221 -8.432 -4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.302 -9.270 -2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.609 -11.290 -3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.301 -10.757 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.288 -8.248 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.416 -8.219 -2.904 1.00 0.00 H new ATOM 398 N LEU A 27 3.049 -10.684 -3.499 1.00 0.00 N ATOM 399 CA LEU A 27 2.183 -11.682 -2.877 1.00 0.00 C ATOM 400 C LEU A 27 1.351 -12.392 -3.940 1.00 0.00 C ATOM 401 O LEU A 27 1.145 -13.604 -3.881 1.00 0.00 O ATOM 402 CB LEU A 27 1.243 -11.021 -1.868 1.00 0.00 C ATOM 403 CG LEU A 27 2.049 -10.529 -0.664 1.00 0.00 C ATOM 404 CD1 LEU A 27 1.333 -9.340 -0.021 1.00 0.00 C ATOM 405 CD2 LEU A 27 2.178 -11.660 0.358 1.00 0.00 C ATOM 0 H LEU A 27 2.847 -9.720 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 27 2.814 -12.406 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.721 -10.186 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.483 -11.732 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 27 3.041 -10.220 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.907 -8.990 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.240 -8.534 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.341 -9.648 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.752 -11.311 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.186 -11.969 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.689 -12.507 -0.100 1.00 0.00 H new ATOM 417 N LYS A 28 0.877 -11.620 -4.913 1.00 0.00 N ATOM 418 CA LYS A 28 0.068 -12.181 -5.992 1.00 0.00 C ATOM 419 C LYS A 28 0.933 -13.024 -6.924 1.00 0.00 C ATOM 420 O LYS A 28 0.472 -14.008 -7.500 1.00 0.00 O ATOM 421 CB LYS A 28 -0.595 -11.063 -6.801 1.00 0.00 C ATOM 422 CG LYS A 28 -1.597 -11.667 -7.790 1.00 0.00 C ATOM 423 CD LYS A 28 -2.818 -10.752 -7.905 1.00 0.00 C ATOM 424 CE LYS A 28 -3.819 -11.095 -6.799 1.00 0.00 C ATOM 425 NZ LYS A 28 -4.603 -9.879 -6.444 1.00 0.00 N ATOM 0 H LYS A 28 1.036 -10.615 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.702 -12.810 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.103 -10.369 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.162 -10.492 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.130 -11.791 -8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.903 -12.658 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.513 -9.709 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.285 -10.872 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.489 -11.888 -7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.293 -11.471 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.283 -10.112 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.958 -9.135 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.116 -9.540 -7.283 1.00 0.00 H new ATOM 439 N HIS A 29 2.195 -12.625 -7.066 1.00 0.00 N ATOM 440 CA HIS A 29 3.120 -13.352 -7.931 1.00 0.00 C ATOM 441 C HIS A 29 3.331 -14.771 -7.410 1.00 0.00 C ATOM 442 O HIS A 29 3.406 -15.727 -8.183 1.00 0.00 O ATOM 443 CB HIS A 29 4.472 -12.636 -7.992 1.00 0.00 C ATOM 444 CG HIS A 29 4.475 -11.663 -9.137 1.00 0.00 C ATOM 445 ND1 HIS A 29 3.991 -11.997 -10.392 1.00 0.00 N ATOM 446 CD2 HIS A 29 4.899 -10.359 -9.232 1.00 0.00 C ATOM 447 CE1 HIS A 29 4.134 -10.916 -11.182 1.00 0.00 C ATOM 448 NE2 HIS A 29 4.683 -9.891 -10.525 1.00 0.00 N ATOM 0 H HIS A 29 2.597 -11.812 -6.599 1.00 0.00 H new ATOM 0 HA HIS A 29 2.686 -13.392 -8.930 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.660 -12.111 -7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.275 -13.363 -8.117 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.333 -9.785 -8.427 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.840 -10.882 -12.221 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.898 -8.964 -10.892 1.00 0.00 H new ATOM 647 N LYS B 9 -3.708 14.541 -3.394 1.00 0.00 N ATOM 648 CA LYS B 9 -2.841 13.366 -3.431 1.00 0.00 C ATOM 649 C LYS B 9 -2.955 12.578 -2.129 1.00 0.00 C ATOM 650 O LYS B 9 -2.924 11.348 -2.128 1.00 0.00 O ATOM 651 CB LYS B 9 -1.384 13.782 -3.638 1.00 0.00 C ATOM 652 CG LYS B 9 -1.189 14.248 -5.083 1.00 0.00 C ATOM 653 CD LYS B 9 0.277 14.065 -5.486 1.00 0.00 C ATOM 654 CE LYS B 9 0.352 13.661 -6.961 1.00 0.00 C ATOM 655 NZ LYS B 9 1.536 12.782 -7.173 1.00 0.00 N ATOM 0 HA LYS B 9 -3.160 12.739 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.121 14.583 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.721 12.944 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.835 13.677 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.476 15.295 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.829 14.991 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.744 13.301 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.559 13.139 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.427 14.549 -7.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.589 12.506 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.401 13.295 -6.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.446 11.930 -6.584 1.00 0.00 H new ATOM 669 N ASN B 10 -3.088 13.301 -1.021 1.00 0.00 N ATOM 670 CA ASN B 10 -3.205 12.660 0.286 1.00 0.00 C ATOM 671 C ASN B 10 -4.455 11.784 0.341 1.00 0.00 C ATOM 672 O ASN B 10 -4.476 10.750 1.009 1.00 0.00 O ATOM 673 CB ASN B 10 -3.284 13.710 1.396 1.00 0.00 C ATOM 674 CG ASN B 10 -1.877 14.052 1.873 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.070 13.161 2.137 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.531 15.303 2.002 1.00 0.00 N ATOM 0 H ASN B 10 -3.117 14.320 -1.000 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.320 12.042 0.436 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.783 14.607 1.028 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.879 13.332 2.227 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.592 15.542 2.321 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.199 16.042 1.783 1.00 0.00 H new ATOM 683 N ASP B 11 -5.493 12.211 -0.371 1.00 0.00 N ATOM 684 CA ASP B 11 -6.744 11.459 -0.400 1.00 0.00 C ATOM 685 C ASP B 11 -6.589 10.205 -1.254 1.00 0.00 C ATOM 686 O ASP B 11 -7.135 9.148 -0.938 1.00 0.00 O ATOM 687 CB ASP B 11 -7.872 12.319 -0.973 1.00 0.00 C ATOM 688 CG ASP B 11 -9.218 11.757 -0.525 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.658 12.119 0.554 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.787 10.973 -1.265 1.00 0.00 O ATOM 0 H ASP B 11 -5.495 13.064 -0.930 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.991 11.174 0.623 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.766 13.350 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.816 12.333 -2.061 1.00 0.00 H new ATOM 695 N THR B 12 -5.838 10.336 -2.344 1.00 0.00 N ATOM 696 CA THR B 12 -5.613 9.206 -3.243 1.00 0.00 C ATOM 697 C THR B 12 -4.654 8.205 -2.610 1.00 0.00 C ATOM 698 O THR B 12 -4.802 6.993 -2.771 1.00 0.00 O ATOM 699 CB THR B 12 -5.025 9.690 -4.572 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.528 10.986 -4.865 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.419 8.722 -5.689 1.00 0.00 C ATOM 0 H THR B 12 -5.379 11.203 -2.625 1.00 0.00 H new ATOM 0 HA THR B 12 -6.573 8.723 -3.425 1.00 0.00 H new ATOM 0 HB THR B 12 -3.938 9.730 -4.497 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.152 11.299 -5.714 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.000 9.067 -6.634 1.00 0.00 H new ATOM 0 HG22 THR B 12 -5.033 7.728 -5.462 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.505 8.680 -5.767 1.00 0.00 H new ATOM 709 N HIS B 13 -3.667 8.726 -1.886 1.00 0.00 N ATOM 710 CA HIS B 13 -2.682 7.870 -1.229 1.00 0.00 C ATOM 711 C HIS B 13 -3.359 6.967 -0.200 1.00 0.00 C ATOM 712 O HIS B 13 -2.967 5.817 -0.007 1.00 0.00 O ATOM 713 CB HIS B 13 -1.621 8.717 -0.523 1.00 0.00 C ATOM 714 CG HIS B 13 -0.720 9.354 -1.547 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.126 8.624 -2.564 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.301 10.650 -1.721 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.611 9.479 -3.298 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.539 10.725 -2.827 1.00 0.00 N ATOM 0 H HIS B 13 -3.528 9.726 -1.740 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.208 7.257 -1.995 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.099 9.486 0.084 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.036 8.095 0.154 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.228 7.622 -2.727 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.581 11.484 -1.095 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.190 9.191 -4.163 1.00 0.00 H new ATOM 726 N GLN B 14 -4.379 7.509 0.460 1.00 0.00 N ATOM 727 CA GLN B 14 -5.108 6.750 1.474 1.00 0.00 C ATOM 728 C GLN B 14 -5.916 5.626 0.831 1.00 0.00 C ATOM 729 O GLN B 14 -5.900 4.486 1.297 1.00 0.00 O ATOM 730 CB GLN B 14 -6.060 7.667 2.244 1.00 0.00 C ATOM 731 CG GLN B 14 -5.256 8.548 3.202 1.00 0.00 C ATOM 732 CD GLN B 14 -4.940 7.764 4.471 1.00 0.00 C ATOM 733 OE1 GLN B 14 -4.605 6.582 4.412 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.026 8.360 5.629 1.00 0.00 N ATOM 0 H GLN B 14 -4.717 8.460 0.314 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.377 6.322 2.159 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.625 8.288 1.549 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.784 7.072 2.801 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.332 8.874 2.724 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.822 9.446 3.448 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.304 9.340 5.679 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.815 7.846 6.484 1.00 0.00 H new ATOM 743 N GLN B 15 -6.626 5.958 -0.243 1.00 0.00 N ATOM 744 CA GLN B 15 -7.442 4.967 -0.941 1.00 0.00 C ATOM 745 C GLN B 15 -6.568 3.843 -1.490 1.00 0.00 C ATOM 746 O GLN B 15 -6.846 2.662 -1.280 1.00 0.00 O ATOM 747 CB GLN B 15 -8.202 5.617 -2.098 1.00 0.00 C ATOM 748 CG GLN B 15 -9.398 4.742 -2.479 1.00 0.00 C ATOM 749 CD GLN B 15 -10.640 5.221 -1.735 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.633 5.328 -0.508 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.716 5.518 -2.410 1.00 0.00 N ATOM 0 H GLN B 15 -6.654 6.894 -0.646 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.153 4.556 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.543 6.612 -1.810 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.542 5.742 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.566 4.787 -3.555 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.193 3.700 -2.232 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -11.721 5.429 -3.426 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -12.552 5.839 -1.922 1.00 0.00 H new ATOM 760 N ASP B 16 -5.508 4.223 -2.198 1.00 0.00 N ATOM 761 CA ASP B 16 -4.596 3.237 -2.776 1.00 0.00 C ATOM 762 C ASP B 16 -3.954 2.395 -1.678 1.00 0.00 C ATOM 763 O ASP B 16 -3.856 1.173 -1.788 1.00 0.00 O ATOM 764 CB ASP B 16 -3.495 3.932 -3.579 1.00 0.00 C ATOM 765 CG ASP B 16 -2.968 2.982 -4.650 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.749 2.594 -5.504 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.794 2.659 -4.602 1.00 0.00 O ATOM 0 H ASP B 16 -5.260 5.195 -2.385 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.175 2.591 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.885 4.838 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.684 4.236 -2.917 1.00 0.00 H new ATOM 772 N ILE B 17 -3.523 3.065 -0.613 1.00 0.00 N ATOM 773 CA ILE B 17 -2.890 2.377 0.511 1.00 0.00 C ATOM 774 C ILE B 17 -3.860 1.371 1.132 1.00 0.00 C ATOM 775 O ILE B 17 -3.694 0.159 1.003 1.00 0.00 O ATOM 776 CB ILE B 17 -2.444 3.409 1.577 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.110 4.022 1.149 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.274 2.757 2.966 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.844 5.288 1.969 1.00 0.00 C ATOM 0 H ILE B 17 -3.599 4.076 -0.503 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.015 1.839 0.146 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.217 4.174 1.653 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.303 3.304 1.297 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.132 4.262 0.086 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.961 3.512 3.687 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.223 2.324 3.283 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.518 1.973 2.910 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.107 5.726 1.665 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.645 6.007 1.799 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.804 5.034 3.028 1.00 0.00 H new ATOM 791 N ASP B 18 -4.855 1.903 1.841 1.00 0.00 N ATOM 792 CA ASP B 18 -5.840 1.070 2.531 1.00 0.00 C ATOM 793 C ASP B 18 -6.351 -0.064 1.635 1.00 0.00 C ATOM 794 O ASP B 18 -6.701 -1.142 2.114 1.00 0.00 O ATOM 795 CB ASP B 18 -7.029 1.926 2.983 1.00 0.00 C ATOM 796 CG ASP B 18 -6.818 2.380 4.424 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.686 2.672 4.773 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.791 2.426 5.158 1.00 0.00 O ATOM 0 H ASP B 18 -5.001 2.906 1.953 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.345 0.629 3.396 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.134 2.793 2.330 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.953 1.353 2.904 1.00 0.00 H new ATOM 803 N ASP B 19 -6.375 0.191 0.329 1.00 0.00 N ATOM 804 CA ASP B 19 -6.830 -0.815 -0.625 1.00 0.00 C ATOM 805 C ASP B 19 -5.788 -1.921 -0.751 1.00 0.00 C ATOM 806 O ASP B 19 -6.119 -3.105 -0.815 1.00 0.00 O ATOM 807 CB ASP B 19 -7.063 -0.185 -2.000 1.00 0.00 C ATOM 808 CG ASP B 19 -7.729 -1.203 -2.921 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.847 -1.595 -2.628 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.112 -1.576 -3.905 1.00 0.00 O ATOM 0 H ASP B 19 -6.088 1.076 -0.089 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.768 -1.233 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.692 0.700 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.115 0.142 -2.427 1.00 0.00 H new ATOM 815 N LEU B 20 -4.522 -1.515 -0.780 1.00 0.00 N ATOM 816 CA LEU B 20 -3.423 -2.469 -0.891 1.00 0.00 C ATOM 817 C LEU B 20 -3.270 -3.251 0.408 1.00 0.00 C ATOM 818 O LEU B 20 -2.996 -4.452 0.401 1.00 0.00 O ATOM 819 CB LEU B 20 -2.113 -1.737 -1.185 1.00 0.00 C ATOM 820 CG LEU B 20 -2.168 -1.129 -2.587 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.113 -0.028 -2.710 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.893 -2.219 -3.626 1.00 0.00 C ATOM 0 H LEU B 20 -4.233 -0.538 -0.729 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.649 -3.155 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.948 -0.954 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.274 -2.428 -1.110 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.156 -0.703 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.153 0.404 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.309 0.748 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.123 -0.451 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.932 -1.787 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.905 -2.645 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.646 -3.002 -3.540 1.00 0.00 H new ATOM 834 N LYS B 21 -3.447 -2.551 1.525 1.00 0.00 N ATOM 835 CA LYS B 21 -3.326 -3.178 2.839 1.00 0.00 C ATOM 836 C LYS B 21 -4.386 -4.262 3.016 1.00 0.00 C ATOM 837 O LYS B 21 -4.105 -5.348 3.522 1.00 0.00 O ATOM 838 CB LYS B 21 -3.492 -2.133 3.943 1.00 0.00 C ATOM 839 CG LYS B 21 -3.145 -2.757 5.295 1.00 0.00 C ATOM 840 CD LYS B 21 -2.851 -1.650 6.309 1.00 0.00 C ATOM 841 CE LYS B 21 -1.489 -1.022 6.002 1.00 0.00 C ATOM 842 NZ LYS B 21 -1.541 0.439 6.289 1.00 0.00 N ATOM 0 H LYS B 21 -3.673 -1.557 1.548 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.336 -3.628 2.908 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.845 -1.278 3.749 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.517 -1.761 3.955 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.972 -3.375 5.645 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.279 -3.411 5.194 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.631 -0.890 6.269 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.855 -2.058 7.320 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.714 -1.495 6.605 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.226 -1.189 4.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -0.616 0.867 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -2.270 0.884 5.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.773 0.588 7.292 1.00 0.00 H new ATOM 856 N ARG B 22 -5.610 -3.951 2.598 1.00 0.00 N ATOM 857 CA ARG B 22 -6.709 -4.904 2.720 1.00 0.00 C ATOM 858 C ARG B 22 -6.419 -6.167 1.914 1.00 0.00 C ATOM 859 O ARG B 22 -6.762 -7.276 2.324 1.00 0.00 O ATOM 860 CB ARG B 22 -8.014 -4.283 2.216 1.00 0.00 C ATOM 861 CG ARG B 22 -9.202 -5.031 2.825 1.00 0.00 C ATOM 862 CD ARG B 22 -9.410 -4.569 4.269 1.00 0.00 C ATOM 863 NE ARG B 22 -10.721 -4.998 4.763 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.194 -4.611 5.955 1.00 0.00 C ATOM 865 NH1 ARG B 22 -10.498 -3.824 6.742 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.370 -5.024 6.344 1.00 0.00 N ATOM 0 H ARG B 22 -5.864 -3.058 2.177 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.810 -5.163 3.774 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.056 -3.228 2.488 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.057 -4.334 1.128 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.102 -4.844 2.239 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.021 -6.106 2.798 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.624 -4.978 4.904 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.332 -3.483 4.324 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.292 -5.611 4.181 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -9.578 -3.495 6.450 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -10.877 -3.542 7.646 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.920 -5.636 5.742 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.738 -4.734 7.250 1.00 0.00 H new ATOM 880 N GLN B 23 -5.778 -5.988 0.761 1.00 0.00 N ATOM 881 CA GLN B 23 -5.445 -7.120 -0.097 1.00 0.00 C ATOM 882 C GLN B 23 -4.215 -7.850 0.436 1.00 0.00 C ATOM 883 O GLN B 23 -4.213 -9.073 0.576 1.00 0.00 O ATOM 884 CB GLN B 23 -5.167 -6.645 -1.528 1.00 0.00 C ATOM 885 CG GLN B 23 -6.446 -6.750 -2.361 1.00 0.00 C ATOM 886 CD GLN B 23 -6.680 -8.206 -2.750 1.00 0.00 C ATOM 887 OE1 GLN B 23 -6.540 -9.107 -1.924 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.030 -8.493 -3.974 1.00 0.00 N ATOM 0 H GLN B 23 -5.482 -5.080 0.403 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.296 -7.801 -0.101 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.811 -5.615 -1.517 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.378 -7.250 -1.976 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.296 -6.373 -1.792 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.362 -6.132 -3.255 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.146 -7.747 -4.659 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.187 -9.464 -4.245 1.00 0.00 H new ATOM 897 N ASN B 24 -3.168 -7.083 0.732 1.00 0.00 N ATOM 898 CA ASN B 24 -1.932 -7.665 1.250 1.00 0.00 C ATOM 899 C ASN B 24 -2.187 -8.364 2.581 1.00 0.00 C ATOM 900 O ASN B 24 -1.545 -9.362 2.909 1.00 0.00 O ATOM 901 CB ASN B 24 -0.874 -6.579 1.452 1.00 0.00 C ATOM 902 CG ASN B 24 -0.582 -5.891 0.123 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.394 -5.937 -0.802 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.543 -5.250 -0.032 1.00 0.00 N ATOM 0 H ASN B 24 -3.150 -6.069 0.624 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.572 -8.392 0.522 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.224 -5.848 2.181 1.00 0.00 H new ATOM 0 HB3 ASN B 24 0.039 -7.018 1.853 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.749 -4.788 -0.918 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.217 -5.210 0.733 1.00 0.00 H new ATOM 911 N ALA B 25 -3.134 -7.828 3.347 1.00 0.00 N ATOM 912 CA ALA B 25 -3.470 -8.408 4.645 1.00 0.00 C ATOM 913 C ALA B 25 -4.148 -9.762 4.466 1.00 0.00 C ATOM 914 O ALA B 25 -3.774 -10.748 5.101 1.00 0.00 O ATOM 915 CB ALA B 25 -4.407 -7.479 5.420 1.00 0.00 C ATOM 0 H ALA B 25 -3.677 -7.002 3.096 1.00 0.00 H new ATOM 0 HA ALA B 25 -2.544 -8.538 5.204 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -4.647 -7.926 6.384 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -3.918 -6.518 5.578 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.324 -7.330 4.851 1.00 0.00 H new ATOM 921 N LEU B 26 -5.151 -9.799 3.593 1.00 0.00 N ATOM 922 CA LEU B 26 -5.879 -11.039 3.337 1.00 0.00 C ATOM 923 C LEU B 26 -5.025 -12.000 2.516 1.00 0.00 C ATOM 924 O LEU B 26 -5.117 -13.219 2.666 1.00 0.00 O ATOM 925 CB LEU B 26 -7.175 -10.751 2.576 1.00 0.00 C ATOM 926 CG LEU B 26 -8.220 -11.812 2.927 1.00 0.00 C ATOM 927 CD1 LEU B 26 -8.859 -11.473 4.276 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.302 -11.841 1.845 1.00 0.00 C ATOM 0 H LEU B 26 -5.476 -8.995 3.056 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.115 -11.494 4.299 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.548 -9.759 2.833 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -6.987 -10.752 1.502 1.00 0.00 H new ATOM 0 HG LEU B 26 -7.739 -12.788 2.987 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -9.604 -12.229 4.526 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.090 -11.452 5.048 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.339 -10.496 4.216 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.046 -12.597 2.095 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.782 -10.864 1.785 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.849 -12.082 0.884 1.00 0.00 H new ATOM 940 N LEU B 27 -4.192 -11.437 1.646 1.00 0.00 N ATOM 941 CA LEU B 27 -3.321 -12.252 0.803 1.00 0.00 C ATOM 942 C LEU B 27 -2.355 -13.062 1.660 1.00 0.00 C ATOM 943 O LEU B 27 -2.317 -14.290 1.589 1.00 0.00 O ATOM 944 CB LEU B 27 -2.518 -11.368 -0.154 1.00 0.00 C ATOM 945 CG LEU B 27 -3.400 -10.963 -1.336 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.772 -9.768 -2.057 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.519 -12.137 -2.310 1.00 0.00 C ATOM 0 H LEU B 27 -4.101 -10.431 1.506 1.00 0.00 H new ATOM 0 HA LEU B 27 -3.951 -12.929 0.227 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.161 -10.480 0.368 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.638 -11.904 -0.510 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.390 -10.689 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.401 -9.480 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.686 -8.930 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.782 -10.042 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.148 -11.849 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.528 -12.410 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.966 -12.990 -1.799 1.00 0.00 H new ATOM 959 N GLU B 28 -1.572 -12.358 2.476 1.00 0.00 N ATOM 960 CA GLU B 28 -0.600 -13.016 3.351 1.00 0.00 C ATOM 961 C GLU B 28 -1.296 -14.020 4.271 1.00 0.00 C ATOM 962 O GLU B 28 -0.815 -15.134 4.476 1.00 0.00 O ATOM 963 CB GLU B 28 0.131 -11.976 4.206 1.00 0.00 C ATOM 964 CG GLU B 28 1.234 -12.656 5.023 1.00 0.00 C ATOM 965 CD GLU B 28 2.461 -11.751 5.087 1.00 0.00 C ATOM 966 OE1 GLU B 28 2.280 -10.547 5.176 1.00 0.00 O ATOM 967 OE2 GLU B 28 3.561 -12.275 5.045 1.00 0.00 O ATOM 0 H GLU B 28 -1.590 -11.341 2.550 1.00 0.00 H new ATOM 0 HA GLU B 28 0.118 -13.544 2.723 1.00 0.00 H new ATOM 0 HB2 GLU B 28 0.562 -11.205 3.567 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -0.574 -11.480 4.873 1.00 0.00 H new ATOM 0 HG2 GLU B 28 0.875 -12.869 6.030 1.00 0.00 H new ATOM 0 HG3 GLU B 28 1.498 -13.611 4.570 1.00 0.00 H new ATOM 974 N GLN B 29 -2.437 -13.610 4.819 1.00 0.00 N ATOM 975 CA GLN B 29 -3.204 -14.475 5.719 1.00 0.00 C ATOM 976 C GLN B 29 -3.537 -15.807 5.044 1.00 0.00 C ATOM 977 O GLN B 29 -3.670 -16.837 5.706 1.00 0.00 O ATOM 978 CB GLN B 29 -4.508 -13.789 6.133 1.00 0.00 C ATOM 979 CG GLN B 29 -5.141 -14.553 7.298 1.00 0.00 C ATOM 980 CD GLN B 29 -6.159 -15.554 6.760 1.00 0.00 C ATOM 981 OE1 GLN B 29 -6.813 -15.300 5.750 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.333 -16.688 7.382 1.00 0.00 N ATOM 0 H GLN B 29 -2.851 -12.692 4.659 1.00 0.00 H new ATOM 0 HA GLN B 29 -2.591 -14.664 6.600 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -4.311 -12.757 6.425 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -5.197 -13.756 5.289 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -4.370 -15.073 7.867 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.627 -13.857 7.982 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -5.791 -16.899 8.220 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -7.011 -17.364 7.030 1.00 0.00 H new ATOM 991 N GLN B 30 -3.666 -15.773 3.720 1.00 0.00 N ATOM 992 CA GLN B 30 -3.978 -16.983 2.964 1.00 0.00 C ATOM 993 C GLN B 30 -2.696 -17.630 2.448 1.00 0.00 C ATOM 994 O GLN B 30 -2.564 -18.854 2.428 1.00 0.00 O ATOM 995 CB GLN B 30 -4.884 -16.654 1.774 1.00 0.00 C ATOM 996 CG GLN B 30 -6.282 -16.293 2.281 1.00 0.00 C ATOM 997 CD GLN B 30 -7.284 -16.412 1.138 1.00 0.00 C ATOM 998 OE1 GLN B 30 -7.178 -15.704 0.136 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.261 -17.271 1.229 1.00 0.00 N ATOM 0 H GLN B 30 -3.561 -14.931 3.154 1.00 0.00 H new ATOM 0 HA GLN B 30 -4.494 -17.674 3.631 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.467 -15.824 1.204 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -4.940 -17.508 1.099 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.566 -16.956 3.098 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.286 -15.278 2.678 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.349 -17.857 2.059 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.937 -17.356 0.470 1.00 0.00 H new ATOM 1008 N VAL B 31 -1.751 -16.790 2.037 1.00 0.00 N ATOM 1009 CA VAL B 31 -0.475 -17.281 1.525 1.00 0.00 C ATOM 1010 C VAL B 31 0.314 -17.965 2.641 1.00 0.00 C ATOM 1011 O VAL B 31 1.055 -18.918 2.403 1.00 0.00 O ATOM 1012 CB VAL B 31 0.350 -16.122 0.952 1.00 0.00 C ATOM 1013 CG1 VAL B 31 1.643 -16.657 0.330 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.468 -15.392 -0.121 1.00 0.00 C ATOM 0 H VAL B 31 -1.843 -15.774 2.048 1.00 0.00 H new ATOM 0 HA VAL B 31 -0.677 -18.002 0.733 1.00 0.00 H new ATOM 0 HB VAL B 31 0.599 -15.430 1.757 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.223 -15.827 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.228 -17.171 1.093 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.400 -17.354 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.119 -14.568 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.721 -16.087 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.383 -15.001 0.323 1.00 0.00 H new ATOM 1024 N ARG B 32 0.144 -17.464 3.862 1.00 0.00 N ATOM 1025 CA ARG B 32 0.845 -18.031 5.012 1.00 0.00 C ATOM 1026 C ARG B 32 0.457 -19.494 5.208 1.00 0.00 C ATOM 1027 O ARG B 32 1.263 -20.310 5.655 1.00 0.00 O ATOM 1028 CB ARG B 32 0.504 -17.249 6.285 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.016 -17.214 6.480 1.00 0.00 C ATOM 1030 CD ARG B 32 -1.431 -18.278 7.499 1.00 0.00 C ATOM 1031 NE ARG B 32 -1.016 -17.891 8.850 1.00 0.00 N ATOM 1032 CZ ARG B 32 -1.660 -16.944 9.549 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -2.698 -16.316 9.049 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -1.246 -16.641 10.749 1.00 0.00 N ATOM 0 H ARG B 32 -0.466 -16.676 4.080 1.00 0.00 H new ATOM 0 HA ARG B 32 1.916 -17.964 4.819 1.00 0.00 H new ATOM 0 HB2 ARG B 32 0.980 -17.715 7.148 1.00 0.00 H new ATOM 0 HB3 ARG B 32 0.895 -16.234 6.215 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.325 -16.227 6.824 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.518 -17.392 5.529 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.512 -18.414 7.470 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -0.982 -19.236 7.236 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.212 -18.356 9.272 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -3.030 -16.545 8.112 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -3.173 -15.599 9.597 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -0.440 -17.123 11.147 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -1.729 -15.923 11.289 1.00 0.00 H new ATOM 1048 N ALA B 33 -0.788 -19.813 4.867 1.00 0.00 N ATOM 1049 CA ALA B 33 -1.277 -21.182 5.006 1.00 0.00 C ATOM 1050 C ALA B 33 -0.730 -22.059 3.885 1.00 0.00 C ATOM 1051 O ALA B 33 -0.313 -23.195 4.112 1.00 0.00 O ATOM 1052 CB ALA B 33 -2.806 -21.212 4.961 1.00 0.00 C ATOM 0 H ALA B 33 -1.470 -19.151 4.497 1.00 0.00 H new ATOM 0 HA ALA B 33 -0.935 -21.565 5.967 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -3.153 -22.240 5.066 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -3.206 -20.609 5.776 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -3.150 -20.808 4.009 1.00 0.00 H new ATOM 1058 N LEU B 34 -0.736 -21.517 2.671 1.00 0.00 N ATOM 1059 CA LEU B 34 -0.237 -22.258 1.514 1.00 0.00 C ATOM 1060 C LEU B 34 1.217 -21.890 1.236 1.00 0.00 C ATOM 1061 O LEU B 34 1.670 -21.926 0.092 1.00 0.00 O ATOM 1062 CB LEU B 34 -1.079 -21.940 0.270 1.00 0.00 C ATOM 1063 CG LEU B 34 -2.295 -22.877 0.185 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -1.826 -24.330 0.059 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -3.159 -22.727 1.442 1.00 0.00 C ATOM 0 H LEU B 34 -1.076 -20.578 2.462 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.308 -23.322 1.738 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -1.414 -20.903 0.306 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -0.468 -22.046 -0.626 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.885 -22.610 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.693 -24.988 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.223 -24.441 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.228 -24.596 0.930 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.019 -23.394 1.374 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.569 -22.984 2.322 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.505 -21.697 1.525 1.00 0.00 H new