USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.0022) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 93:sc= 0.798 USER MOD Single : A 22 LYS NZ :NH3+ 165:sc=-0.00353 (180deg=-0.134) USER MOD Single : A 26 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.53) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1 K(o=-1,f=-5.6!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-0.89) USER MOD Single : B 14 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0202) USER MOD Single : B 23 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.2) USER MOD Single : B 24 ASN : amide:sc= -2.32 K(o=-2.3,f=-7.6!) USER MOD Single : B 29 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.12) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.959 18.060 1.157 1.00 0.00 N ATOM 48 CA GLN A 7 5.957 17.114 0.659 1.00 0.00 C ATOM 49 C GLN A 7 6.398 16.166 1.771 1.00 0.00 C ATOM 50 O GLN A 7 6.738 15.009 1.520 1.00 0.00 O ATOM 51 CB GLN A 7 7.182 17.859 0.120 1.00 0.00 C ATOM 52 CG GLN A 7 7.748 18.778 1.206 1.00 0.00 C ATOM 53 CD GLN A 7 9.069 19.373 0.731 1.00 0.00 C ATOM 54 OE1 GLN A 7 10.107 19.176 1.362 1.00 0.00 O ATOM 55 NE2 GLN A 7 9.092 20.095 -0.355 1.00 0.00 N ATOM 0 HA GLN A 7 5.501 16.539 -0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.942 17.146 -0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.907 18.444 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.038 19.574 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.900 18.218 2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.231 20.258 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.971 20.497 -0.682 1.00 0.00 H new ATOM 64 N ALA A 8 6.389 16.668 3.003 1.00 0.00 N ATOM 65 CA ALA A 8 6.791 15.857 4.149 1.00 0.00 C ATOM 66 C ALA A 8 5.776 14.745 4.397 1.00 0.00 C ATOM 67 O ALA A 8 6.134 13.577 4.535 1.00 0.00 O ATOM 68 CB ALA A 8 6.898 16.722 5.406 1.00 0.00 C ATOM 0 H ALA A 8 6.111 17.622 3.232 1.00 0.00 H new ATOM 0 HA ALA A 8 7.764 15.419 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.199 16.101 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.641 17.504 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.931 17.178 5.617 1.00 0.00 H new ATOM 74 N GLU A 9 4.502 15.126 4.451 1.00 0.00 N ATOM 75 CA GLU A 9 3.437 14.155 4.681 1.00 0.00 C ATOM 76 C GLU A 9 3.269 13.251 3.465 1.00 0.00 C ATOM 77 O GLU A 9 2.926 12.074 3.590 1.00 0.00 O ATOM 78 CB GLU A 9 2.112 14.868 4.958 1.00 0.00 C ATOM 79 CG GLU A 9 1.994 15.163 6.455 1.00 0.00 C ATOM 80 CD GLU A 9 0.863 16.158 6.690 1.00 0.00 C ATOM 81 OE1 GLU A 9 1.056 17.325 6.392 1.00 0.00 O ATOM 82 OE2 GLU A 9 -0.180 15.740 7.165 1.00 0.00 O ATOM 0 H GLU A 9 4.185 16.089 4.340 1.00 0.00 H new ATOM 0 HA GLU A 9 3.713 13.553 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.060 15.796 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.278 14.247 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.802 14.241 7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.933 15.568 6.832 1.00 0.00 H new ATOM 89 N GLU A 10 3.513 13.813 2.286 1.00 0.00 N ATOM 90 CA GLU A 10 3.387 13.052 1.046 1.00 0.00 C ATOM 91 C GLU A 10 4.539 12.060 0.911 1.00 0.00 C ATOM 92 O GLU A 10 4.353 10.927 0.465 1.00 0.00 O ATOM 93 CB GLU A 10 3.392 13.989 -0.163 1.00 0.00 C ATOM 94 CG GLU A 10 2.713 13.300 -1.347 1.00 0.00 C ATOM 95 CD GLU A 10 2.907 14.140 -2.605 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.156 15.086 -2.783 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.800 13.826 -3.372 1.00 0.00 O ATOM 0 H GLU A 10 3.797 14.785 2.162 1.00 0.00 H new ATOM 0 HA GLU A 10 2.442 12.510 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.871 14.915 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.416 14.258 -0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.134 12.305 -1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.650 13.170 -1.145 1.00 0.00 H new ATOM 104 N GLN A 11 5.731 12.499 1.305 1.00 0.00 N ATOM 105 CA GLN A 11 6.912 11.643 1.224 1.00 0.00 C ATOM 106 C GLN A 11 6.738 10.408 2.104 1.00 0.00 C ATOM 107 O GLN A 11 7.243 9.329 1.791 1.00 0.00 O ATOM 108 CB GLN A 11 8.159 12.406 1.678 1.00 0.00 C ATOM 109 CG GLN A 11 8.813 13.079 0.469 1.00 0.00 C ATOM 110 CD GLN A 11 10.294 13.305 0.753 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.764 14.443 0.761 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.067 12.279 0.989 1.00 0.00 N ATOM 0 H GLN A 11 5.905 13.432 1.680 1.00 0.00 H new ATOM 0 HA GLN A 11 7.033 11.335 0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.889 13.155 2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.863 11.723 2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.693 12.456 -0.417 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.323 14.030 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.679 11.336 0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.059 12.421 1.180 1.00 0.00 H new ATOM 121 N LYS A 12 6.017 10.579 3.208 1.00 0.00 N ATOM 122 CA LYS A 12 5.780 9.471 4.131 1.00 0.00 C ATOM 123 C LYS A 12 4.692 8.550 3.588 1.00 0.00 C ATOM 124 O LYS A 12 4.718 7.338 3.804 1.00 0.00 O ATOM 125 CB LYS A 12 5.349 9.997 5.501 1.00 0.00 C ATOM 126 CG LYS A 12 5.845 9.047 6.593 1.00 0.00 C ATOM 127 CD LYS A 12 5.904 9.790 7.928 1.00 0.00 C ATOM 128 CE LYS A 12 6.179 8.796 9.057 1.00 0.00 C ATOM 129 NZ LYS A 12 4.900 8.157 9.480 1.00 0.00 N ATOM 0 H LYS A 12 5.590 11.463 3.484 1.00 0.00 H new ATOM 0 HA LYS A 12 6.711 8.914 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.754 10.996 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.263 10.082 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.179 8.188 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.832 8.663 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.686 10.548 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.963 10.309 8.108 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.884 8.035 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.639 9.308 9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.087 7.481 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.241 8.888 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.479 7.655 8.672 1.00 0.00 H new ATOM 143 N LEU A 13 3.731 9.139 2.881 1.00 0.00 N ATOM 144 CA LEU A 13 2.633 8.364 2.311 1.00 0.00 C ATOM 145 C LEU A 13 3.116 7.555 1.111 1.00 0.00 C ATOM 146 O LEU A 13 2.821 6.367 0.986 1.00 0.00 O ATOM 147 CB LEU A 13 1.500 9.290 1.864 1.00 0.00 C ATOM 148 CG LEU A 13 0.727 9.779 3.090 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.047 11.049 2.731 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.256 8.694 3.536 1.00 0.00 C ATOM 0 H LEU A 13 3.690 10.140 2.690 1.00 0.00 H new ATOM 0 HA LEU A 13 2.266 7.686 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.906 10.139 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.830 8.761 1.186 1.00 0.00 H new ATOM 0 HG LEU A 13 1.425 9.995 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.598 11.398 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.651 11.822 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.746 10.833 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.808 9.040 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.954 8.481 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.293 7.787 3.790 1.00 0.00 H new ATOM 162 N ILE A 14 3.864 8.213 0.229 1.00 0.00 N ATOM 163 CA ILE A 14 4.387 7.549 -0.960 1.00 0.00 C ATOM 164 C ILE A 14 5.337 6.420 -0.564 1.00 0.00 C ATOM 165 O ILE A 14 5.206 5.287 -1.028 1.00 0.00 O ATOM 166 CB ILE A 14 5.137 8.551 -1.850 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.192 9.696 -2.226 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.624 7.858 -3.126 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.013 10.927 -2.614 1.00 0.00 C ATOM 0 H ILE A 14 4.119 9.197 0.314 1.00 0.00 H new ATOM 0 HA ILE A 14 3.544 7.136 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 14 5.997 8.941 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.552 9.396 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.537 9.932 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.155 8.577 -3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.296 7.041 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.769 7.463 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.341 11.743 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.634 11.230 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.649 10.686 -3.466 1.00 0.00 H new ATOM 181 N SER A 15 6.300 6.745 0.294 1.00 0.00 N ATOM 182 CA SER A 15 7.275 5.753 0.744 1.00 0.00 C ATOM 183 C SER A 15 6.576 4.576 1.422 1.00 0.00 C ATOM 184 O SER A 15 6.991 3.425 1.284 1.00 0.00 O ATOM 185 CB SER A 15 8.263 6.380 1.727 1.00 0.00 C ATOM 186 OG SER A 15 9.061 7.337 1.043 1.00 0.00 O ATOM 0 H SER A 15 6.427 7.677 0.689 1.00 0.00 H new ATOM 0 HA SER A 15 7.813 5.395 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.725 6.857 2.547 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.896 5.609 2.166 1.00 0.00 H new ATOM 0 HG SER A 15 8.651 8.223 1.125 1.00 0.00 H new ATOM 192 N GLU A 16 5.510 4.880 2.155 1.00 0.00 N ATOM 193 CA GLU A 16 4.755 3.841 2.851 1.00 0.00 C ATOM 194 C GLU A 16 4.000 2.975 1.849 1.00 0.00 C ATOM 195 O GLU A 16 4.005 1.746 1.936 1.00 0.00 O ATOM 196 CB GLU A 16 3.755 4.466 3.826 1.00 0.00 C ATOM 197 CG GLU A 16 4.458 4.782 5.147 1.00 0.00 C ATOM 198 CD GLU A 16 4.533 3.518 5.998 1.00 0.00 C ATOM 199 OE1 GLU A 16 5.036 2.522 5.502 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.090 3.565 7.133 1.00 0.00 O ATOM 0 H GLU A 16 5.151 5.826 2.283 1.00 0.00 H new ATOM 0 HA GLU A 16 5.462 3.224 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.335 5.377 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.924 3.782 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.461 5.164 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.916 5.562 5.682 1.00 0.00 H new ATOM 207 N GLU A 17 3.348 3.632 0.891 1.00 0.00 N ATOM 208 CA GLU A 17 2.589 2.915 -0.129 1.00 0.00 C ATOM 209 C GLU A 17 3.517 2.031 -0.956 1.00 0.00 C ATOM 210 O GLU A 17 3.141 0.938 -1.382 1.00 0.00 O ATOM 211 CB GLU A 17 1.879 3.899 -1.060 1.00 0.00 C ATOM 212 CG GLU A 17 0.889 3.142 -1.946 1.00 0.00 C ATOM 213 CD GLU A 17 0.582 3.966 -3.191 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.273 4.832 -3.108 1.00 0.00 O ATOM 215 OE2 GLU A 17 1.208 3.721 -4.209 1.00 0.00 O ATOM 0 H GLU A 17 3.330 4.648 0.801 1.00 0.00 H new ATOM 0 HA GLU A 17 1.848 2.295 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.355 4.655 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.609 4.423 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.306 2.176 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.030 2.943 -1.394 1.00 0.00 H new ATOM 222 N ASP A 18 4.736 2.517 -1.174 1.00 0.00 N ATOM 223 CA ASP A 18 5.717 1.762 -1.949 1.00 0.00 C ATOM 224 C ASP A 18 6.043 0.446 -1.253 1.00 0.00 C ATOM 225 O ASP A 18 6.250 -0.582 -1.898 1.00 0.00 O ATOM 226 CB ASP A 18 7.005 2.571 -2.117 1.00 0.00 C ATOM 227 CG ASP A 18 7.898 1.897 -3.153 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.172 0.719 -2.993 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.295 2.569 -4.092 1.00 0.00 O ATOM 0 H ASP A 18 5.066 3.419 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 18 5.288 1.558 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.770 3.588 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.528 2.644 -1.163 1.00 0.00 H new ATOM 234 N LEU A 19 6.084 0.490 0.076 1.00 0.00 N ATOM 235 CA LEU A 19 6.383 -0.706 0.859 1.00 0.00 C ATOM 236 C LEU A 19 5.308 -1.765 0.635 1.00 0.00 C ATOM 237 O LEU A 19 5.606 -2.924 0.346 1.00 0.00 O ATOM 238 CB LEU A 19 6.448 -0.370 2.349 1.00 0.00 C ATOM 239 CG LEU A 19 7.881 0.013 2.724 1.00 0.00 C ATOM 240 CD1 LEU A 19 7.860 0.957 3.927 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.667 -1.248 3.081 1.00 0.00 C ATOM 0 H LEU A 19 5.916 1.331 0.629 1.00 0.00 H new ATOM 0 HA LEU A 19 7.350 -1.090 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.769 0.452 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.123 -1.226 2.940 1.00 0.00 H new ATOM 0 HG LEU A 19 8.356 0.512 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.881 1.229 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.299 1.856 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.385 0.459 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.688 -0.977 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.191 -1.747 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.683 -1.922 2.224 1.00 0.00 H new ATOM 253 N LEU A 20 4.051 -1.351 0.770 1.00 0.00 N ATOM 254 CA LEU A 20 2.932 -2.268 0.578 1.00 0.00 C ATOM 255 C LEU A 20 2.887 -2.754 -0.868 1.00 0.00 C ATOM 256 O LEU A 20 2.497 -3.887 -1.146 1.00 0.00 O ATOM 257 CB LEU A 20 1.609 -1.578 0.912 1.00 0.00 C ATOM 258 CG LEU A 20 1.288 -1.777 2.395 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.347 -0.668 2.868 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.613 -3.135 2.591 1.00 0.00 C ATOM 0 H LEU A 20 3.783 -0.396 1.009 1.00 0.00 H new ATOM 0 HA LEU A 20 3.075 -3.118 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.674 -0.514 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.808 -1.988 0.298 1.00 0.00 H new ATOM 0 HG LEU A 20 2.211 -1.741 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.119 -0.810 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.827 0.301 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.576 -0.703 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.384 -3.278 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.309 -3.170 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.283 -3.926 2.255 1.00 0.00 H new ATOM 272 N ARG A 21 3.295 -1.880 -1.785 1.00 0.00 N ATOM 273 CA ARG A 21 3.301 -2.225 -3.204 1.00 0.00 C ATOM 274 C ARG A 21 4.244 -3.395 -3.462 1.00 0.00 C ATOM 275 O ARG A 21 3.926 -4.313 -4.220 1.00 0.00 O ATOM 276 CB ARG A 21 3.750 -1.029 -4.046 1.00 0.00 C ATOM 277 CG ARG A 21 2.565 -0.088 -4.271 1.00 0.00 C ATOM 278 CD ARG A 21 3.070 1.253 -4.802 1.00 0.00 C ATOM 279 NE ARG A 21 3.905 1.058 -5.991 1.00 0.00 N ATOM 280 CZ ARG A 21 4.464 2.086 -6.645 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.289 3.324 -6.246 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.198 1.850 -7.699 1.00 0.00 N ATOM 0 H ARG A 21 3.623 -0.937 -1.574 1.00 0.00 H new ATOM 0 HA ARG A 21 2.286 -2.505 -3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.558 -0.499 -3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.142 -1.372 -5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.865 -0.531 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.023 0.060 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.224 1.895 -5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.644 1.763 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 21 4.066 0.110 -6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.718 3.519 -5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.724 4.091 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.341 0.891 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.628 2.624 -8.205 1.00 0.00 H new ATOM 296 N LYS A 22 5.409 -3.353 -2.821 1.00 0.00 N ATOM 297 CA LYS A 22 6.396 -4.416 -2.984 1.00 0.00 C ATOM 298 C LYS A 22 5.834 -5.743 -2.487 1.00 0.00 C ATOM 299 O LYS A 22 6.096 -6.800 -3.062 1.00 0.00 O ATOM 300 CB LYS A 22 7.671 -4.088 -2.205 1.00 0.00 C ATOM 301 CG LYS A 22 8.799 -5.016 -2.656 1.00 0.00 C ATOM 302 CD LYS A 22 9.804 -5.194 -1.515 1.00 0.00 C ATOM 303 CE LYS A 22 10.806 -4.037 -1.534 1.00 0.00 C ATOM 304 NZ LYS A 22 10.335 -2.957 -0.623 1.00 0.00 N ATOM 0 H LYS A 22 5.691 -2.603 -2.190 1.00 0.00 H new ATOM 0 HA LYS A 22 6.633 -4.497 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.953 -3.048 -2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.496 -4.204 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.392 -5.983 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.297 -4.600 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.283 -5.222 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.327 -6.144 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.789 -4.388 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.913 -3.651 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.116 -2.296 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.547 -2.445 -1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.013 -3.375 0.273 1.00 0.00 H new ATOM 318 N ARG A 23 5.058 -5.676 -1.410 1.00 0.00 N ATOM 319 CA ARG A 23 4.460 -6.879 -0.838 1.00 0.00 C ATOM 320 C ARG A 23 3.384 -7.431 -1.768 1.00 0.00 C ATOM 321 O ARG A 23 3.174 -8.642 -1.849 1.00 0.00 O ATOM 322 CB ARG A 23 3.833 -6.571 0.524 1.00 0.00 C ATOM 323 CG ARG A 23 3.438 -7.880 1.211 1.00 0.00 C ATOM 324 CD ARG A 23 4.698 -8.653 1.600 1.00 0.00 C ATOM 325 NE ARG A 23 4.397 -9.647 2.633 1.00 0.00 N ATOM 326 CZ ARG A 23 4.138 -9.298 3.903 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.142 -8.042 4.277 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.877 -10.228 4.781 1.00 0.00 N ATOM 0 H ARG A 23 4.830 -4.811 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 23 5.249 -7.621 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.539 -6.020 1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.957 -5.935 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.839 -7.671 2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.821 -8.482 0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.113 -9.148 0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.457 -7.961 1.964 1.00 0.00 H new ATOM 0 HE ARG A 23 4.384 -10.635 2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.345 -7.308 3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.943 -7.798 5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.871 -11.208 4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.679 -9.974 5.749 1.00 0.00 H new ATOM 342 N ARG A 24 2.703 -6.526 -2.467 1.00 0.00 N ATOM 343 CA ARG A 24 1.647 -6.929 -3.391 1.00 0.00 C ATOM 344 C ARG A 24 2.236 -7.695 -4.572 1.00 0.00 C ATOM 345 O ARG A 24 1.737 -8.753 -4.958 1.00 0.00 O ATOM 346 CB ARG A 24 0.900 -5.702 -3.917 1.00 0.00 C ATOM 347 CG ARG A 24 -0.563 -6.066 -4.176 1.00 0.00 C ATOM 348 CD ARG A 24 -1.327 -4.819 -4.625 1.00 0.00 C ATOM 349 NE ARG A 24 -2.717 -5.151 -4.945 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.547 -4.266 -5.518 1.00 0.00 C ATOM 351 NH1 ARG A 24 -3.148 -3.053 -5.816 1.00 0.00 N ATOM 352 NH2 ARG A 24 -4.775 -4.620 -5.782 1.00 0.00 N ATOM 0 H ARG A 24 2.861 -5.520 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 24 0.953 -7.572 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.961 -4.889 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.365 -5.346 -4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.626 -6.840 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.013 -6.475 -3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.300 -4.066 -3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.841 -4.384 -5.498 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.065 -6.084 -4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.190 -2.767 -5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.795 -2.396 -6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.095 -5.561 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.415 -3.956 -6.217 1.00 0.00 H new ATOM 366 N GLU A 25 3.306 -7.148 -5.142 1.00 0.00 N ATOM 367 CA GLU A 25 3.962 -7.784 -6.281 1.00 0.00 C ATOM 368 C GLU A 25 4.502 -9.156 -5.886 1.00 0.00 C ATOM 369 O GLU A 25 4.383 -10.126 -6.635 1.00 0.00 O ATOM 370 CB GLU A 25 5.118 -6.919 -6.785 1.00 0.00 C ATOM 371 CG GLU A 25 5.606 -7.453 -8.134 1.00 0.00 C ATOM 372 CD GLU A 25 6.918 -6.774 -8.507 1.00 0.00 C ATOM 373 OE1 GLU A 25 7.825 -6.793 -7.690 1.00 0.00 O ATOM 374 OE2 GLU A 25 6.998 -6.246 -9.603 1.00 0.00 O ATOM 0 H GLU A 25 3.734 -6.274 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 25 3.223 -7.899 -7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.793 -5.884 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.934 -6.927 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.746 -8.533 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.857 -7.267 -8.903 1.00 0.00 H new ATOM 381 N GLN A 26 5.095 -9.224 -4.698 1.00 0.00 N ATOM 382 CA GLN A 26 5.653 -10.480 -4.207 1.00 0.00 C ATOM 383 C GLN A 26 4.545 -11.507 -3.999 1.00 0.00 C ATOM 384 O GLN A 26 4.681 -12.673 -4.370 1.00 0.00 O ATOM 385 CB GLN A 26 6.383 -10.261 -2.881 1.00 0.00 C ATOM 386 CG GLN A 26 7.541 -11.255 -2.764 1.00 0.00 C ATOM 387 CD GLN A 26 7.041 -12.546 -2.128 1.00 0.00 C ATOM 388 OE1 GLN A 26 6.379 -12.519 -1.090 1.00 0.00 O ATOM 389 NE2 GLN A 26 7.322 -13.689 -2.693 1.00 0.00 N ATOM 0 H GLN A 26 5.201 -8.433 -4.063 1.00 0.00 H new ATOM 0 HA GLN A 26 6.358 -10.849 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.760 -9.240 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.692 -10.392 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.958 -11.461 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.342 -10.827 -2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.870 -13.712 -3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.993 -14.559 -2.275 1.00 0.00 H new ATOM 398 N LEU A 27 3.444 -11.060 -3.399 1.00 0.00 N ATOM 399 CA LEU A 27 2.313 -11.947 -3.144 1.00 0.00 C ATOM 400 C LEU A 27 1.729 -12.457 -4.458 1.00 0.00 C ATOM 401 O LEU A 27 1.296 -13.605 -4.559 1.00 0.00 O ATOM 402 CB LEU A 27 1.220 -11.213 -2.365 1.00 0.00 C ATOM 403 CG LEU A 27 1.605 -11.147 -0.885 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.599 -10.273 -0.133 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.595 -12.557 -0.293 1.00 0.00 C ATOM 0 H LEU A 27 3.312 -10.099 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 27 2.674 -12.790 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.088 -10.207 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.267 -11.729 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 27 2.602 -10.718 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.874 -10.226 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.604 -9.268 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.399 -10.701 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.869 -12.511 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.597 -12.985 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.311 -13.181 -0.827 1.00 0.00 H new ATOM 417 N LYS A 28 1.723 -11.587 -5.464 1.00 0.00 N ATOM 418 CA LYS A 28 1.189 -11.956 -6.772 1.00 0.00 C ATOM 419 C LYS A 28 2.022 -13.075 -7.390 1.00 0.00 C ATOM 420 O LYS A 28 1.492 -13.983 -8.030 1.00 0.00 O ATOM 421 CB LYS A 28 1.200 -10.750 -7.715 1.00 0.00 C ATOM 422 CG LYS A 28 0.028 -10.857 -8.693 1.00 0.00 C ATOM 423 CD LYS A 28 0.094 -9.704 -9.697 1.00 0.00 C ATOM 424 CE LYS A 28 1.103 -10.043 -10.798 1.00 0.00 C ATOM 425 NZ LYS A 28 0.762 -9.285 -12.034 1.00 0.00 N ATOM 0 H LYS A 28 2.077 -10.633 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 28 0.164 -12.299 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.126 -9.826 -7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.142 -10.711 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.064 -11.812 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.917 -10.827 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.890 -9.530 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.387 -8.784 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.112 -9.792 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.091 -11.114 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.447 -9.515 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.195 -9.546 -12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.795 -8.265 -11.836 1.00 0.00 H new ATOM 439 N HIS A 29 3.335 -12.998 -7.189 1.00 0.00 N ATOM 440 CA HIS A 29 4.239 -14.010 -7.729 1.00 0.00 C ATOM 441 C HIS A 29 3.938 -15.374 -7.116 1.00 0.00 C ATOM 442 O HIS A 29 4.078 -16.409 -7.768 1.00 0.00 O ATOM 443 CB HIS A 29 5.695 -13.640 -7.434 1.00 0.00 C ATOM 444 CG HIS A 29 6.115 -12.508 -8.329 1.00 0.00 C ATOM 445 ND1 HIS A 29 6.177 -12.638 -9.708 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.500 -11.218 -8.057 1.00 0.00 C ATOM 447 CE1 HIS A 29 6.584 -11.458 -10.208 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.795 -10.556 -9.245 1.00 0.00 N ATOM 0 H HIS A 29 3.793 -12.254 -6.662 1.00 0.00 H new ATOM 0 HA HIS A 29 4.088 -14.055 -8.808 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.803 -13.351 -6.389 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.341 -14.503 -7.594 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.954 -13.476 -10.245 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.564 -10.783 -7.070 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.724 -11.263 -11.261 1.00 0.00 H new ATOM 647 N LYS B 9 -4.229 14.542 -2.811 1.00 0.00 N ATOM 648 CA LYS B 9 -3.163 13.549 -2.914 1.00 0.00 C ATOM 649 C LYS B 9 -3.026 12.776 -1.607 1.00 0.00 C ATOM 650 O LYS B 9 -2.989 11.546 -1.598 1.00 0.00 O ATOM 651 CB LYS B 9 -1.828 14.225 -3.236 1.00 0.00 C ATOM 652 CG LYS B 9 -1.864 14.772 -4.663 1.00 0.00 C ATOM 653 CD LYS B 9 -0.441 15.098 -5.122 1.00 0.00 C ATOM 654 CE LYS B 9 -0.471 15.595 -6.568 1.00 0.00 C ATOM 655 NZ LYS B 9 0.867 16.138 -6.935 1.00 0.00 N ATOM 0 HA LYS B 9 -3.423 12.860 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.638 15.034 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.012 13.511 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -2.315 14.040 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.485 15.667 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.004 15.858 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.189 14.212 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.740 14.779 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.232 16.367 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.847 16.476 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.107 16.928 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.583 15.390 -6.841 1.00 0.00 H new ATOM 669 N ASN B 10 -2.954 13.514 -0.502 1.00 0.00 N ATOM 670 CA ASN B 10 -2.820 12.889 0.813 1.00 0.00 C ATOM 671 C ASN B 10 -4.025 12.000 1.106 1.00 0.00 C ATOM 672 O ASN B 10 -3.887 10.896 1.633 1.00 0.00 O ATOM 673 CB ASN B 10 -2.714 13.956 1.904 1.00 0.00 C ATOM 674 CG ASN B 10 -1.302 14.535 1.914 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.323 13.801 1.783 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.140 15.821 2.061 1.00 0.00 N ATOM 0 H ASN B 10 -2.986 14.533 -0.489 1.00 0.00 H new ATOM 0 HA ASN B 10 -1.914 12.284 0.806 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.442 14.748 1.725 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.947 13.522 2.876 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.201 16.219 2.067 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.952 16.428 2.169 1.00 0.00 H new ATOM 683 N ASP B 11 -5.209 12.492 0.754 1.00 0.00 N ATOM 684 CA ASP B 11 -6.437 11.733 0.982 1.00 0.00 C ATOM 685 C ASP B 11 -6.407 10.429 0.192 1.00 0.00 C ATOM 686 O ASP B 11 -6.680 9.354 0.729 1.00 0.00 O ATOM 687 CB ASP B 11 -7.659 12.549 0.551 1.00 0.00 C ATOM 688 CG ASP B 11 -8.857 12.157 1.408 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.695 12.061 2.613 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.922 11.956 0.845 1.00 0.00 O ATOM 0 H ASP B 11 -5.345 13.402 0.315 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.506 11.513 2.047 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.455 13.614 0.657 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.877 12.370 -0.502 1.00 0.00 H new ATOM 695 N THR B 12 -6.068 10.535 -1.089 1.00 0.00 N ATOM 696 CA THR B 12 -5.999 9.358 -1.949 1.00 0.00 C ATOM 697 C THR B 12 -4.919 8.400 -1.453 1.00 0.00 C ATOM 698 O THR B 12 -5.039 7.183 -1.587 1.00 0.00 O ATOM 699 CB THR B 12 -5.683 9.764 -3.390 1.00 0.00 C ATOM 700 OG1 THR B 12 -6.511 10.856 -3.765 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.942 8.580 -4.324 1.00 0.00 C ATOM 0 H THR B 12 -5.839 11.415 -1.551 1.00 0.00 H new ATOM 0 HA THR B 12 -6.969 8.861 -1.918 1.00 0.00 H new ATOM 0 HB THR B 12 -4.636 10.059 -3.464 1.00 0.00 H new ATOM 0 HG1 THR B 12 -6.309 11.118 -4.687 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.717 8.870 -5.350 1.00 0.00 H new ATOM 0 HG22 THR B 12 -5.306 7.743 -4.035 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.988 8.282 -4.253 1.00 0.00 H new ATOM 709 N HIS B 13 -3.863 8.968 -0.876 1.00 0.00 N ATOM 710 CA HIS B 13 -2.761 8.159 -0.360 1.00 0.00 C ATOM 711 C HIS B 13 -3.255 7.231 0.745 1.00 0.00 C ATOM 712 O HIS B 13 -2.966 6.034 0.746 1.00 0.00 O ATOM 713 CB HIS B 13 -1.656 9.057 0.202 1.00 0.00 C ATOM 714 CG HIS B 13 -0.673 9.389 -0.887 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.118 8.423 -1.489 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.338 10.576 -1.491 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.881 9.040 -2.410 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.642 10.353 -2.452 1.00 0.00 N ATOM 0 H HIS B 13 -3.747 9.974 -0.754 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.364 7.566 -1.184 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.088 9.972 0.607 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.147 8.554 1.024 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.770 11.537 -1.255 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.599 8.535 -3.039 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.083 11.044 -3.059 1.00 0.00 H new ATOM 726 N GLN B 14 -4.002 7.800 1.684 1.00 0.00 N ATOM 727 CA GLN B 14 -4.539 7.022 2.799 1.00 0.00 C ATOM 728 C GLN B 14 -5.430 5.893 2.291 1.00 0.00 C ATOM 729 O GLN B 14 -5.519 4.828 2.904 1.00 0.00 O ATOM 730 CB GLN B 14 -5.356 7.920 3.731 1.00 0.00 C ATOM 731 CG GLN B 14 -4.415 8.845 4.505 1.00 0.00 C ATOM 732 CD GLN B 14 -3.936 8.142 5.771 1.00 0.00 C ATOM 733 OE1 GLN B 14 -4.584 8.217 6.815 1.00 0.00 O ATOM 734 NE2 GLN B 14 -2.828 7.453 5.738 1.00 0.00 N ATOM 0 H GLN B 14 -4.249 8.789 1.698 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.697 6.597 3.345 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.068 8.509 3.153 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -5.935 7.311 4.425 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.562 9.117 3.883 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.929 9.771 4.763 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -2.291 7.391 4.873 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -2.499 6.976 6.577 1.00 0.00 H new ATOM 743 N GLN B 15 -6.092 6.137 1.162 1.00 0.00 N ATOM 744 CA GLN B 15 -6.976 5.132 0.577 1.00 0.00 C ATOM 745 C GLN B 15 -6.162 3.986 -0.016 1.00 0.00 C ATOM 746 O GLN B 15 -6.523 2.818 0.117 1.00 0.00 O ATOM 747 CB GLN B 15 -7.838 5.754 -0.524 1.00 0.00 C ATOM 748 CG GLN B 15 -9.159 4.990 -0.631 1.00 0.00 C ATOM 749 CD GLN B 15 -10.231 5.905 -1.212 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.091 6.406 -2.328 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.306 6.156 -0.515 1.00 0.00 N ATOM 0 H GLN B 15 -6.035 7.011 0.639 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.620 4.748 1.368 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.030 6.804 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.309 5.722 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.033 4.112 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.465 4.632 0.352 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -11.423 5.741 0.410 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -12.029 6.767 -0.895 1.00 0.00 H new ATOM 760 N ASP B 16 -5.059 4.335 -0.674 1.00 0.00 N ATOM 761 CA ASP B 16 -4.199 3.326 -1.288 1.00 0.00 C ATOM 762 C ASP B 16 -3.641 2.382 -0.227 1.00 0.00 C ATOM 763 O ASP B 16 -3.648 1.163 -0.393 1.00 0.00 O ATOM 764 CB ASP B 16 -3.035 3.990 -2.025 1.00 0.00 C ATOM 765 CG ASP B 16 -2.620 3.121 -3.208 1.00 0.00 C ATOM 766 OD1 ASP B 16 -1.826 2.217 -3.004 1.00 0.00 O ATOM 767 OD2 ASP B 16 -3.102 3.372 -4.300 1.00 0.00 O ATOM 0 H ASP B 16 -4.742 5.297 -0.795 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.802 2.759 -1.998 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.329 4.980 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.192 4.127 -1.347 1.00 0.00 H new ATOM 772 N ILE B 17 -3.159 2.961 0.870 1.00 0.00 N ATOM 773 CA ILE B 17 -2.596 2.169 1.962 1.00 0.00 C ATOM 774 C ILE B 17 -3.644 1.192 2.503 1.00 0.00 C ATOM 775 O ILE B 17 -3.562 -0.018 2.288 1.00 0.00 O ATOM 776 CB ILE B 17 -2.102 3.110 3.093 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.691 3.597 2.749 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.061 2.393 4.460 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.781 4.898 1.951 1.00 0.00 C ATOM 0 H ILE B 17 -3.146 3.969 1.027 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.750 1.594 1.585 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.800 3.944 3.168 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.117 3.757 3.662 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.164 2.839 2.170 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.710 3.086 5.224 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.061 2.044 4.718 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.383 1.541 4.404 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.223 5.245 1.706 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.339 4.723 1.031 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.291 5.655 2.546 1.00 0.00 H new ATOM 791 N ASP B 18 -4.608 1.741 3.239 1.00 0.00 N ATOM 792 CA ASP B 18 -5.662 0.933 3.853 1.00 0.00 C ATOM 793 C ASP B 18 -6.245 -0.088 2.870 1.00 0.00 C ATOM 794 O ASP B 18 -6.701 -1.161 3.267 1.00 0.00 O ATOM 795 CB ASP B 18 -6.788 1.838 4.360 1.00 0.00 C ATOM 796 CG ASP B 18 -6.535 2.204 5.819 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.817 3.163 6.052 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.061 1.521 6.681 1.00 0.00 O ATOM 0 H ASP B 18 -4.682 2.741 3.425 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.212 0.390 4.684 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.843 2.741 3.753 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.748 1.330 4.263 1.00 0.00 H new ATOM 803 N ASP B 19 -6.219 0.256 1.586 1.00 0.00 N ATOM 804 CA ASP B 19 -6.744 -0.641 0.557 1.00 0.00 C ATOM 805 C ASP B 19 -5.735 -1.744 0.252 1.00 0.00 C ATOM 806 O ASP B 19 -6.106 -2.892 0.005 1.00 0.00 O ATOM 807 CB ASP B 19 -7.046 0.134 -0.728 1.00 0.00 C ATOM 808 CG ASP B 19 -7.782 -0.772 -1.710 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.218 -1.785 -2.089 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.901 -0.439 -2.066 1.00 0.00 O ATOM 0 H ASP B 19 -5.845 1.138 1.234 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.666 -1.085 0.933 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.652 1.011 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.119 0.494 -1.174 1.00 0.00 H new ATOM 815 N LEU B 20 -4.455 -1.384 0.272 1.00 0.00 N ATOM 816 CA LEU B 20 -3.395 -2.350 -0.004 1.00 0.00 C ATOM 817 C LEU B 20 -3.346 -3.411 1.091 1.00 0.00 C ATOM 818 O LEU B 20 -3.222 -4.604 0.815 1.00 0.00 O ATOM 819 CB LEU B 20 -2.037 -1.649 -0.076 1.00 0.00 C ATOM 820 CG LEU B 20 -1.890 -0.952 -1.428 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.773 0.091 -1.347 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.543 -1.987 -2.501 1.00 0.00 C ATOM 0 H LEU B 20 -4.128 -0.439 0.474 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.611 -2.823 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.949 -0.921 0.731 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.235 -2.374 0.060 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.828 -0.461 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.668 0.588 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.019 0.829 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.165 -0.400 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.438 -1.490 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.605 -2.479 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.338 -2.730 -2.560 1.00 0.00 H new ATOM 834 N LYS B 21 -3.444 -2.960 2.338 1.00 0.00 N ATOM 835 CA LYS B 21 -3.406 -3.877 3.475 1.00 0.00 C ATOM 836 C LYS B 21 -4.583 -4.847 3.420 1.00 0.00 C ATOM 837 O LYS B 21 -4.414 -6.058 3.558 1.00 0.00 O ATOM 838 CB LYS B 21 -3.462 -3.099 4.791 1.00 0.00 C ATOM 839 CG LYS B 21 -2.072 -2.546 5.117 1.00 0.00 C ATOM 840 CD LYS B 21 -1.984 -2.231 6.611 1.00 0.00 C ATOM 841 CE LYS B 21 -0.526 -1.972 6.992 1.00 0.00 C ATOM 842 NZ LYS B 21 0.179 -3.272 7.176 1.00 0.00 N ATOM 0 H LYS B 21 -3.549 -1.976 2.587 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.473 -4.437 3.423 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.181 -2.283 4.713 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.804 -3.749 5.596 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.307 -3.272 4.842 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.881 -1.646 4.533 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.593 -1.358 6.846 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.381 -3.063 7.193 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.035 -1.387 6.215 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.478 -1.387 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.805 -3.213 8.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.520 -4.028 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.744 -3.483 6.329 1.00 0.00 H new ATOM 856 N ARG B 22 -5.779 -4.299 3.218 1.00 0.00 N ATOM 857 CA ARG B 22 -6.981 -5.126 3.150 1.00 0.00 C ATOM 858 C ARG B 22 -6.897 -6.096 1.975 1.00 0.00 C ATOM 859 O ARG B 22 -7.383 -7.225 2.048 1.00 0.00 O ATOM 860 CB ARG B 22 -8.225 -4.252 2.983 1.00 0.00 C ATOM 861 CG ARG B 22 -9.456 -5.019 3.473 1.00 0.00 C ATOM 862 CD ARG B 22 -10.663 -4.081 3.505 1.00 0.00 C ATOM 863 NE ARG B 22 -11.189 -3.868 2.154 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.349 -3.233 1.932 1.00 0.00 C ATOM 865 NH1 ARG B 22 -13.070 -2.769 2.924 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.767 -3.074 0.707 1.00 0.00 N ATOM 0 H ARG B 22 -5.941 -3.299 3.100 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.053 -5.688 4.081 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.111 -3.327 3.548 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.349 -3.974 1.937 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.657 -5.864 2.815 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.272 -5.426 4.467 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -11.441 -4.503 4.141 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.376 -3.125 3.944 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.655 -4.214 1.357 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.751 -2.888 3.886 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -13.950 -2.289 2.734 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.213 -3.431 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.648 -2.592 0.527 1.00 0.00 H new ATOM 880 N GLN B 23 -6.275 -5.643 0.891 1.00 0.00 N ATOM 881 CA GLN B 23 -6.132 -6.478 -0.299 1.00 0.00 C ATOM 882 C GLN B 23 -5.048 -7.529 -0.086 1.00 0.00 C ATOM 883 O GLN B 23 -5.263 -8.721 -0.306 1.00 0.00 O ATOM 884 CB GLN B 23 -5.768 -5.623 -1.514 1.00 0.00 C ATOM 885 CG GLN B 23 -5.864 -6.472 -2.784 1.00 0.00 C ATOM 886 CD GLN B 23 -7.321 -6.843 -3.039 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.154 -5.973 -3.296 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.682 -8.096 -2.983 1.00 0.00 N ATOM 0 H GLN B 23 -5.865 -4.712 0.811 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.086 -6.973 -0.478 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.440 -4.768 -1.584 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.758 -5.227 -1.404 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.464 -5.920 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.261 -7.374 -2.678 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.992 -8.816 -2.770 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -8.654 -8.355 -3.152 1.00 0.00 H new ATOM 897 N ASN B 24 -3.875 -7.070 0.344 1.00 0.00 N ATOM 898 CA ASN B 24 -2.755 -7.977 0.584 1.00 0.00 C ATOM 899 C ASN B 24 -3.102 -8.975 1.685 1.00 0.00 C ATOM 900 O ASN B 24 -2.678 -10.130 1.651 1.00 0.00 O ATOM 901 CB ASN B 24 -1.510 -7.189 0.998 1.00 0.00 C ATOM 902 CG ASN B 24 -1.137 -6.202 -0.104 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.967 -5.852 -0.944 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.076 -5.725 -0.151 1.00 0.00 N ATOM 0 H ASN B 24 -3.676 -6.087 0.532 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.553 -8.516 -0.342 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.699 -6.655 1.929 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.681 -7.872 1.184 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.336 -5.063 -0.882 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.765 -6.014 0.544 1.00 0.00 H new ATOM 911 N ALA B 25 -3.877 -8.513 2.662 1.00 0.00 N ATOM 912 CA ALA B 25 -4.277 -9.372 3.774 1.00 0.00 C ATOM 913 C ALA B 25 -5.259 -10.438 3.299 1.00 0.00 C ATOM 914 O ALA B 25 -5.139 -11.613 3.647 1.00 0.00 O ATOM 915 CB ALA B 25 -4.937 -8.544 4.878 1.00 0.00 C ATOM 0 H ALA B 25 -4.238 -7.560 2.708 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.381 -9.853 4.166 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.229 -9.199 5.699 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.232 -7.797 5.243 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.821 -8.045 4.480 1.00 0.00 H new ATOM 921 N LEU B 26 -6.233 -10.013 2.500 1.00 0.00 N ATOM 922 CA LEU B 26 -7.237 -10.939 1.979 1.00 0.00 C ATOM 923 C LEU B 26 -6.608 -11.900 0.976 1.00 0.00 C ATOM 924 O LEU B 26 -7.012 -13.058 0.864 1.00 0.00 O ATOM 925 CB LEU B 26 -8.369 -10.172 1.295 1.00 0.00 C ATOM 926 CG LEU B 26 -9.638 -11.026 1.295 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.867 -10.116 1.266 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.645 -11.928 0.059 1.00 0.00 C ATOM 0 H LEU B 26 -6.350 -9.045 2.201 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.640 -11.505 2.819 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.551 -9.231 1.815 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.087 -9.922 0.272 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.661 -11.640 2.195 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -11.771 -10.725 1.266 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -10.864 -9.472 2.145 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.844 -9.502 0.366 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.549 -12.537 0.058 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.621 -11.313 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.770 -12.578 0.078 1.00 0.00 H new ATOM 940 N LEU B 27 -5.614 -11.405 0.244 1.00 0.00 N ATOM 941 CA LEU B 27 -4.932 -12.228 -0.752 1.00 0.00 C ATOM 942 C LEU B 27 -4.249 -13.417 -0.086 1.00 0.00 C ATOM 943 O LEU B 27 -4.457 -14.567 -0.472 1.00 0.00 O ATOM 944 CB LEU B 27 -3.881 -11.404 -1.498 1.00 0.00 C ATOM 945 CG LEU B 27 -4.567 -10.546 -2.563 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.630 -9.414 -2.988 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.896 -11.414 -3.779 1.00 0.00 C ATOM 0 H LEU B 27 -5.265 -10.449 0.319 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.680 -12.588 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.338 -10.769 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -3.149 -12.064 -1.964 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.485 -10.125 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.119 -8.803 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.390 -8.796 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.712 -9.836 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.385 -10.805 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.976 -11.833 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.562 -12.223 -3.479 1.00 0.00 H new ATOM 959 N GLU B 28 -3.432 -13.127 0.924 1.00 0.00 N ATOM 960 CA GLU B 28 -2.715 -14.177 1.650 1.00 0.00 C ATOM 961 C GLU B 28 -3.693 -15.195 2.233 1.00 0.00 C ATOM 962 O GLU B 28 -3.478 -16.405 2.149 1.00 0.00 O ATOM 963 CB GLU B 28 -1.889 -13.566 2.786 1.00 0.00 C ATOM 964 CG GLU B 28 -1.033 -14.651 3.445 1.00 0.00 C ATOM 965 CD GLU B 28 0.307 -14.059 3.869 1.00 0.00 C ATOM 966 OE1 GLU B 28 0.928 -13.402 3.050 1.00 0.00 O ATOM 967 OE2 GLU B 28 0.693 -14.271 5.005 1.00 0.00 O ATOM 0 H GLU B 28 -3.249 -12.181 1.258 1.00 0.00 H new ATOM 0 HA GLU B 28 -2.053 -14.681 0.946 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.251 -12.772 2.398 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.549 -13.112 3.525 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.551 -15.061 4.312 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.874 -15.475 2.750 1.00 0.00 H new ATOM 974 N GLN B 29 -4.774 -14.690 2.824 1.00 0.00 N ATOM 975 CA GLN B 29 -5.791 -15.558 3.423 1.00 0.00 C ATOM 976 C GLN B 29 -6.307 -16.574 2.403 1.00 0.00 C ATOM 977 O GLN B 29 -6.670 -17.697 2.753 1.00 0.00 O ATOM 978 CB GLN B 29 -6.969 -14.728 3.937 1.00 0.00 C ATOM 979 CG GLN B 29 -7.600 -15.425 5.143 1.00 0.00 C ATOM 980 CD GLN B 29 -6.739 -15.187 6.378 1.00 0.00 C ATOM 981 OE1 GLN B 29 -6.138 -16.118 6.913 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.640 -13.981 6.866 1.00 0.00 N ATOM 0 H GLN B 29 -4.969 -13.692 2.902 1.00 0.00 H new ATOM 0 HA GLN B 29 -5.326 -16.087 4.255 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.630 -13.731 4.217 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.710 -14.602 3.148 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -8.607 -15.044 5.310 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -7.692 -16.494 4.951 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.138 -13.209 6.423 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -6.065 -13.810 7.691 1.00 0.00 H new ATOM 991 N GLN B 30 -6.326 -16.165 1.138 1.00 0.00 N ATOM 992 CA GLN B 30 -6.789 -17.046 0.069 1.00 0.00 C ATOM 993 C GLN B 30 -5.652 -17.949 -0.396 1.00 0.00 C ATOM 994 O GLN B 30 -5.866 -19.101 -0.773 1.00 0.00 O ATOM 995 CB GLN B 30 -7.296 -16.227 -1.119 1.00 0.00 C ATOM 996 CG GLN B 30 -8.289 -17.065 -1.928 1.00 0.00 C ATOM 997 CD GLN B 30 -8.913 -16.202 -3.020 1.00 0.00 C ATOM 998 OE1 GLN B 30 -9.950 -15.574 -2.805 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.337 -16.133 -4.188 1.00 0.00 N ATOM 0 H GLN B 30 -6.030 -15.239 0.829 1.00 0.00 H new ATOM 0 HA GLN B 30 -7.604 -17.655 0.459 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -7.776 -15.314 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.460 -15.925 -1.750 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.781 -17.921 -2.372 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -9.066 -17.460 -1.273 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.478 -16.654 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.746 -15.558 -4.925 1.00 0.00 H new ATOM 1008 N VAL B 31 -4.436 -17.409 -0.360 1.00 0.00 N ATOM 1009 CA VAL B 31 -3.259 -18.168 -0.775 1.00 0.00 C ATOM 1010 C VAL B 31 -3.052 -19.365 0.151 1.00 0.00 C ATOM 1011 O VAL B 31 -2.619 -20.435 -0.279 1.00 0.00 O ATOM 1012 CB VAL B 31 -2.012 -17.275 -0.739 1.00 0.00 C ATOM 1013 CG1 VAL B 31 -0.802 -18.045 -1.275 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -2.250 -16.029 -1.608 1.00 0.00 C ATOM 0 H VAL B 31 -4.241 -16.457 -0.051 1.00 0.00 H new ATOM 0 HA VAL B 31 -3.418 -18.522 -1.793 1.00 0.00 H new ATOM 0 HB VAL B 31 -1.818 -16.974 0.290 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.079 -17.404 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -0.630 -18.927 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -0.993 -18.353 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -1.365 -15.394 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -2.449 -16.334 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -3.105 -15.474 -1.222 1.00 0.00 H new ATOM 1024 N ARG B 32 -3.368 -19.172 1.428 1.00 0.00 N ATOM 1025 CA ARG B 32 -3.216 -20.242 2.411 1.00 0.00 C ATOM 1026 C ARG B 32 -4.185 -21.381 2.112 1.00 0.00 C ATOM 1027 O ARG B 32 -3.887 -22.550 2.351 1.00 0.00 O ATOM 1028 CB ARG B 32 -3.482 -19.716 3.824 1.00 0.00 C ATOM 1029 CG ARG B 32 -2.168 -19.247 4.451 1.00 0.00 C ATOM 1030 CD ARG B 32 -1.750 -17.916 3.824 1.00 0.00 C ATOM 1031 NE ARG B 32 -0.472 -17.462 4.380 1.00 0.00 N ATOM 1032 CZ ARG B 32 0.692 -18.047 4.060 1.00 0.00 C ATOM 1033 NH1 ARG B 32 0.738 -19.058 3.224 1.00 0.00 N ATOM 1034 NH2 ARG B 32 1.797 -17.599 4.586 1.00 0.00 N ATOM 0 H ARG B 32 -3.727 -18.295 1.805 1.00 0.00 H new ATOM 0 HA ARG B 32 -2.192 -20.611 2.350 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -4.194 -18.892 3.788 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -3.930 -20.499 4.436 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -2.287 -19.132 5.528 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.391 -19.995 4.294 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -1.663 -18.028 2.743 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -2.519 -17.165 4.005 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.468 -16.677 5.031 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -0.122 -19.413 2.805 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.633 -19.489 2.994 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.771 -16.811 5.234 1.00 0.00 H new ATOM 0 HH22 ARG B 32 2.688 -18.036 4.350 1.00 0.00 H new ATOM 1048 N ALA B 33 -5.352 -21.023 1.584 1.00 0.00 N ATOM 1049 CA ALA B 33 -6.365 -22.022 1.252 1.00 0.00 C ATOM 1050 C ALA B 33 -5.946 -22.816 0.018 1.00 0.00 C ATOM 1051 O ALA B 33 -5.856 -24.044 0.053 1.00 0.00 O ATOM 1052 CB ALA B 33 -7.711 -21.349 0.977 1.00 0.00 C ATOM 0 H ALA B 33 -5.619 -20.060 1.378 1.00 0.00 H new ATOM 0 HA ALA B 33 -6.463 -22.696 2.103 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -8.454 -22.108 0.731 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -8.032 -20.801 1.863 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -7.608 -20.658 0.140 1.00 0.00 H new ATOM 1058 N LEU B 34 -5.689 -22.099 -1.071 1.00 0.00 N ATOM 1059 CA LEU B 34 -5.277 -22.743 -2.315 1.00 0.00 C ATOM 1060 C LEU B 34 -3.900 -23.379 -2.154 1.00 0.00 C ATOM 1061 O LEU B 34 -2.876 -22.727 -2.352 1.00 0.00 O ATOM 1062 CB LEU B 34 -5.223 -21.718 -3.458 1.00 0.00 C ATOM 1063 CG LEU B 34 -6.633 -21.454 -4.013 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -7.218 -22.747 -4.585 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -7.544 -20.929 -2.897 1.00 0.00 C ATOM 0 H LEU B 34 -5.757 -21.082 -1.119 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.009 -23.515 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -4.787 -20.786 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.576 -22.086 -4.254 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.567 -20.707 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.217 -22.553 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.578 -23.112 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.277 -23.499 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -8.541 -20.744 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -7.605 -21.669 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -7.135 -20.000 -2.500 1.00 0.00 H new