USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=7 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= -0.644 K(o=-0.64,f=-4!) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00677) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.149) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.121) USER MOD Single : A 29 HIS : no HD1:sc= -4.87 K(o=-4.9,f=-6!) USER MOD Single : B 9 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.114) USER MOD Single : B 10 ASN : amide:sc= -0.635 K(o=-0.64,f=-3.6) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HE2:sc= -1.03 K(o=-1,f=-4.5!) USER MOD Single : B 14 GLN : amide:sc= -0.0358 K(o=-0.036,f=-0.86) USER MOD Single : B 15 GLN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.59) USER MOD Single : B 24 ASN : amide:sc= -5.36! C(o=-5.4!,f=-13!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= -3.83! C(o=-3.8!,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 3.821 18.219 2.819 1.00 0.00 N ATOM 48 CA GLN A 7 4.835 17.708 1.900 1.00 0.00 C ATOM 49 C GLN A 7 5.588 16.537 2.529 1.00 0.00 C ATOM 50 O GLN A 7 6.049 15.632 1.834 1.00 0.00 O ATOM 51 CB GLN A 7 5.836 18.808 1.536 1.00 0.00 C ATOM 52 CG GLN A 7 6.392 19.445 2.812 1.00 0.00 C ATOM 53 CD GLN A 7 7.614 20.290 2.470 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.743 19.799 2.499 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.456 21.543 2.143 1.00 0.00 N ATOM 0 HA GLN A 7 4.326 17.369 0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.649 18.390 0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.350 19.566 0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.629 20.064 3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.662 18.670 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.521 21.950 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.268 22.116 1.911 1.00 0.00 H new ATOM 64 N ALA A 8 5.706 16.564 3.855 1.00 0.00 N ATOM 65 CA ALA A 8 6.404 15.498 4.570 1.00 0.00 C ATOM 66 C ALA A 8 5.505 14.274 4.714 1.00 0.00 C ATOM 67 O ALA A 8 5.948 13.138 4.548 1.00 0.00 O ATOM 68 CB ALA A 8 6.824 15.974 5.962 1.00 0.00 C ATOM 0 H ALA A 8 5.332 17.303 4.450 1.00 0.00 H new ATOM 0 HA ALA A 8 7.290 15.231 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.343 15.168 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.490 16.832 5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.940 16.262 6.530 1.00 0.00 H new ATOM 74 N GLU A 9 4.235 14.520 5.026 1.00 0.00 N ATOM 75 CA GLU A 9 3.278 13.431 5.193 1.00 0.00 C ATOM 76 C GLU A 9 3.071 12.695 3.873 1.00 0.00 C ATOM 77 O GLU A 9 2.835 11.487 3.849 1.00 0.00 O ATOM 78 CB GLU A 9 1.930 13.972 5.676 1.00 0.00 C ATOM 79 CG GLU A 9 1.959 14.132 7.198 1.00 0.00 C ATOM 80 CD GLU A 9 1.745 12.774 7.857 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.595 12.402 8.041 1.00 0.00 O ATOM 82 OE2 GLU A 9 2.729 12.126 8.169 1.00 0.00 O ATOM 0 H GLU A 9 3.848 15.453 5.167 1.00 0.00 H new ATOM 0 HA GLU A 9 3.681 12.742 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.721 14.931 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.129 13.292 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.914 14.554 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.183 14.829 7.516 1.00 0.00 H new ATOM 89 N GLU A 10 3.163 13.438 2.774 1.00 0.00 N ATOM 90 CA GLU A 10 2.986 12.850 1.450 1.00 0.00 C ATOM 91 C GLU A 10 4.186 11.982 1.086 1.00 0.00 C ATOM 92 O GLU A 10 4.047 10.950 0.429 1.00 0.00 O ATOM 93 CB GLU A 10 2.823 13.945 0.394 1.00 0.00 C ATOM 94 CG GLU A 10 1.938 13.432 -0.743 1.00 0.00 C ATOM 95 CD GLU A 10 1.832 14.499 -1.826 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.830 14.750 -2.481 1.00 0.00 O ATOM 97 OE2 GLU A 10 0.755 15.051 -1.985 1.00 0.00 O ATOM 0 H GLU A 10 3.357 14.439 2.773 1.00 0.00 H new ATOM 0 HA GLU A 10 2.087 12.234 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.378 14.833 0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.798 14.238 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.357 12.516 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.947 13.185 -0.363 1.00 0.00 H new ATOM 104 N GLN A 11 5.366 12.412 1.520 1.00 0.00 N ATOM 105 CA GLN A 11 6.590 11.668 1.234 1.00 0.00 C ATOM 106 C GLN A 11 6.561 10.308 1.924 1.00 0.00 C ATOM 107 O GLN A 11 6.961 9.294 1.349 1.00 0.00 O ATOM 108 CB GLN A 11 7.816 12.447 1.713 1.00 0.00 C ATOM 109 CG GLN A 11 8.109 13.588 0.737 1.00 0.00 C ATOM 110 CD GLN A 11 9.090 14.565 1.375 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.068 14.773 2.588 1.00 0.00 O ATOM 112 NE2 GLN A 11 9.957 15.185 0.624 1.00 0.00 N ATOM 0 H GLN A 11 5.502 13.263 2.066 1.00 0.00 H new ATOM 0 HA GLN A 11 6.652 11.525 0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.639 12.845 2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.678 11.783 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.525 13.191 -0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.185 14.103 0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.976 15.013 -0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.616 15.842 1.042 1.00 0.00 H new ATOM 121 N LYS A 12 6.085 10.297 3.165 1.00 0.00 N ATOM 122 CA LYS A 12 6.009 9.055 3.932 1.00 0.00 C ATOM 123 C LYS A 12 4.869 8.181 3.417 1.00 0.00 C ATOM 124 O LYS A 12 4.948 6.953 3.443 1.00 0.00 O ATOM 125 CB LYS A 12 5.776 9.354 5.414 1.00 0.00 C ATOM 126 CG LYS A 12 6.179 8.137 6.249 1.00 0.00 C ATOM 127 CD LYS A 12 6.567 8.589 7.659 1.00 0.00 C ATOM 128 CE LYS A 12 8.058 8.928 7.694 1.00 0.00 C ATOM 129 NZ LYS A 12 8.849 7.672 7.832 1.00 0.00 N ATOM 0 H LYS A 12 5.749 11.124 3.658 1.00 0.00 H new ATOM 0 HA LYS A 12 6.955 8.527 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.358 10.225 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.727 9.596 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.353 7.427 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.016 7.621 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.978 9.460 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.345 7.801 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.344 9.453 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.270 9.598 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.858 7.906 7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.535 7.155 8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.707 7.078 6.990 1.00 0.00 H new ATOM 143 N LEU A 13 3.806 8.830 2.950 1.00 0.00 N ATOM 144 CA LEU A 13 2.648 8.106 2.431 1.00 0.00 C ATOM 145 C LEU A 13 3.040 7.281 1.209 1.00 0.00 C ATOM 146 O LEU A 13 2.679 6.111 1.091 1.00 0.00 O ATOM 147 CB LEU A 13 1.538 9.082 2.040 1.00 0.00 C ATOM 148 CG LEU A 13 0.643 9.351 3.250 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.071 10.691 3.070 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.395 8.232 3.372 1.00 0.00 C ATOM 0 H LEU A 13 3.722 9.846 2.920 1.00 0.00 H new ATOM 0 HA LEU A 13 2.286 7.442 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.971 10.015 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.947 8.668 1.223 1.00 0.00 H new ATOM 0 HG LEU A 13 1.252 9.384 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.709 10.882 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.668 11.488 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.681 10.660 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.035 8.421 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.004 8.200 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.113 7.276 3.500 1.00 0.00 H new ATOM 162 N ILE A 14 3.781 7.910 0.300 1.00 0.00 N ATOM 163 CA ILE A 14 4.217 7.231 -0.917 1.00 0.00 C ATOM 164 C ILE A 14 5.110 6.040 -0.573 1.00 0.00 C ATOM 165 O ILE A 14 4.875 4.919 -1.021 1.00 0.00 O ATOM 166 CB ILE A 14 4.992 8.198 -1.819 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.119 9.417 -2.126 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.368 7.502 -3.132 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.007 10.646 -2.325 1.00 0.00 C ATOM 0 H ILE A 14 4.089 8.879 0.381 1.00 0.00 H new ATOM 0 HA ILE A 14 3.331 6.877 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 14 5.901 8.514 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.525 9.236 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.418 9.590 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.918 8.196 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.991 6.634 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.462 7.181 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.384 11.513 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.581 10.831 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.690 10.471 -3.156 1.00 0.00 H new ATOM 181 N SER A 15 6.145 6.302 0.221 1.00 0.00 N ATOM 182 CA SER A 15 7.080 5.248 0.615 1.00 0.00 C ATOM 183 C SER A 15 6.347 4.097 1.305 1.00 0.00 C ATOM 184 O SER A 15 6.759 2.940 1.219 1.00 0.00 O ATOM 185 CB SER A 15 8.141 5.803 1.566 1.00 0.00 C ATOM 186 OG SER A 15 9.016 6.660 0.845 1.00 0.00 O ATOM 0 H SER A 15 6.358 7.224 0.602 1.00 0.00 H new ATOM 0 HA SER A 15 7.558 4.875 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.666 6.351 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.704 4.986 2.018 1.00 0.00 H new ATOM 0 HG SER A 15 9.696 7.019 1.452 1.00 0.00 H new ATOM 192 N GLU A 16 5.255 4.430 1.988 1.00 0.00 N ATOM 193 CA GLU A 16 4.471 3.416 2.687 1.00 0.00 C ATOM 194 C GLU A 16 3.756 2.515 1.685 1.00 0.00 C ATOM 195 O GLU A 16 3.931 1.296 1.685 1.00 0.00 O ATOM 196 CB GLU A 16 3.433 4.075 3.598 1.00 0.00 C ATOM 197 CG GLU A 16 4.061 4.361 4.963 1.00 0.00 C ATOM 198 CD GLU A 16 2.968 4.409 6.025 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.173 3.485 6.072 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.942 5.370 6.777 1.00 0.00 O ATOM 0 H GLU A 16 4.896 5.381 2.072 1.00 0.00 H new ATOM 0 HA GLU A 16 5.153 2.818 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.075 5.002 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.568 3.422 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.789 3.588 5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.599 5.309 4.936 1.00 0.00 H new ATOM 207 N GLU A 17 2.945 3.131 0.827 1.00 0.00 N ATOM 208 CA GLU A 17 2.205 2.377 -0.182 1.00 0.00 C ATOM 209 C GLU A 17 3.168 1.656 -1.121 1.00 0.00 C ATOM 210 O GLU A 17 2.871 0.574 -1.627 1.00 0.00 O ATOM 211 CB GLU A 17 1.310 3.312 -1.004 1.00 0.00 C ATOM 212 CG GLU A 17 2.158 4.413 -1.645 1.00 0.00 C ATOM 213 CD GLU A 17 1.281 5.267 -2.555 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.297 5.797 -2.068 1.00 0.00 O ATOM 215 OE2 GLU A 17 1.608 5.378 -3.725 1.00 0.00 O ATOM 0 H GLU A 17 2.785 4.138 0.810 1.00 0.00 H new ATOM 0 HA GLU A 17 1.584 1.645 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.789 2.746 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.547 3.755 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.611 5.034 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.973 3.971 -2.218 1.00 0.00 H new ATOM 222 N ASP A 18 4.326 2.271 -1.349 1.00 0.00 N ATOM 223 CA ASP A 18 5.332 1.685 -2.231 1.00 0.00 C ATOM 224 C ASP A 18 5.797 0.335 -1.692 1.00 0.00 C ATOM 225 O ASP A 18 6.089 -0.586 -2.455 1.00 0.00 O ATOM 226 CB ASP A 18 6.542 2.615 -2.354 1.00 0.00 C ATOM 227 CG ASP A 18 7.470 2.099 -3.447 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.227 2.411 -4.601 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.413 1.399 -3.115 1.00 0.00 O ATOM 0 H ASP A 18 4.590 3.167 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 18 4.877 1.546 -3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.214 3.627 -2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.074 2.665 -1.404 1.00 0.00 H new ATOM 234 N LEU A 19 5.864 0.231 -0.369 1.00 0.00 N ATOM 235 CA LEU A 19 6.297 -1.010 0.266 1.00 0.00 C ATOM 236 C LEU A 19 5.209 -2.076 0.171 1.00 0.00 C ATOM 237 O LEU A 19 5.497 -3.273 0.142 1.00 0.00 O ATOM 238 CB LEU A 19 6.626 -0.769 1.742 1.00 0.00 C ATOM 239 CG LEU A 19 8.081 -0.317 1.873 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.302 0.297 3.257 1.00 0.00 C ATOM 241 CD2 LEU A 19 9.008 -1.523 1.697 1.00 0.00 C ATOM 0 H LEU A 19 5.627 0.982 0.279 1.00 0.00 H new ATOM 0 HA LEU A 19 7.188 -1.357 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.960 -0.011 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.465 -1.682 2.315 1.00 0.00 H new ATOM 0 HG LEU A 19 8.301 0.426 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.339 0.619 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.642 1.155 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.082 -0.446 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.045 -1.201 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.788 -2.266 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.851 -1.962 0.711 1.00 0.00 H new ATOM 253 N LEU A 20 3.954 -1.633 0.129 1.00 0.00 N ATOM 254 CA LEU A 20 2.833 -2.564 0.045 1.00 0.00 C ATOM 255 C LEU A 20 2.608 -3.020 -1.393 1.00 0.00 C ATOM 256 O LEU A 20 2.407 -4.207 -1.654 1.00 0.00 O ATOM 257 CB LEU A 20 1.555 -1.903 0.558 1.00 0.00 C ATOM 258 CG LEU A 20 1.511 -1.990 2.085 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.719 -0.806 2.641 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.829 -3.298 2.500 1.00 0.00 C ATOM 0 H LEU A 20 3.691 -0.648 0.151 1.00 0.00 H new ATOM 0 HA LEU A 20 3.075 -3.430 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.520 -0.860 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.682 -2.395 0.130 1.00 0.00 H new ATOM 0 HG LEU A 20 2.527 -1.966 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.688 -0.868 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.201 0.126 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.297 -0.831 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.797 -3.362 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.187 -3.320 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.391 -4.143 2.103 1.00 0.00 H new ATOM 272 N ARG A 21 2.635 -2.068 -2.325 1.00 0.00 N ATOM 273 CA ARG A 21 2.422 -2.393 -3.735 1.00 0.00 C ATOM 274 C ARG A 21 3.472 -3.391 -4.222 1.00 0.00 C ATOM 275 O ARG A 21 3.201 -4.231 -5.083 1.00 0.00 O ATOM 276 CB ARG A 21 2.476 -1.128 -4.599 1.00 0.00 C ATOM 277 CG ARG A 21 3.833 -0.445 -4.449 1.00 0.00 C ATOM 278 CD ARG A 21 3.857 0.819 -5.314 1.00 0.00 C ATOM 279 NE ARG A 21 5.200 1.052 -5.851 1.00 0.00 N ATOM 280 CZ ARG A 21 5.468 2.068 -6.684 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.531 2.908 -7.056 1.00 0.00 N ATOM 282 NH2 ARG A 21 6.683 2.225 -7.131 1.00 0.00 N ATOM 0 H ARG A 21 2.800 -1.080 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 21 1.433 -2.842 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.304 -1.385 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.681 -0.443 -4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.012 -0.189 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.631 -1.123 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.145 0.719 -6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.543 1.678 -4.721 1.00 0.00 H new ATOM 0 HE ARG A 21 5.955 0.421 -5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.578 2.795 -6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.756 3.674 -7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.419 1.578 -6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.898 2.995 -7.765 1.00 0.00 H new ATOM 296 N LYS A 22 4.667 -3.300 -3.652 1.00 0.00 N ATOM 297 CA LYS A 22 5.745 -4.209 -4.022 1.00 0.00 C ATOM 298 C LYS A 22 5.509 -5.571 -3.375 1.00 0.00 C ATOM 299 O LYS A 22 5.816 -6.616 -3.949 1.00 0.00 O ATOM 300 CB LYS A 22 7.101 -3.651 -3.566 1.00 0.00 C ATOM 301 CG LYS A 22 8.114 -3.736 -4.713 1.00 0.00 C ATOM 302 CD LYS A 22 8.481 -5.200 -4.965 1.00 0.00 C ATOM 303 CE LYS A 22 9.285 -5.311 -6.261 1.00 0.00 C ATOM 304 NZ LYS A 22 10.592 -4.617 -6.095 1.00 0.00 N ATOM 0 H LYS A 22 4.913 -2.614 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 22 5.757 -4.314 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.988 -2.615 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.465 -4.213 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.693 -3.295 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.008 -3.164 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.063 -5.589 -4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.577 -5.806 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.447 -6.359 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.728 -4.868 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.212 -4.847 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.437 -3.589 -6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.041 -4.930 -5.211 1.00 0.00 H new ATOM 318 N ARG A 23 4.947 -5.542 -2.166 1.00 0.00 N ATOM 319 CA ARG A 23 4.659 -6.773 -1.436 1.00 0.00 C ATOM 320 C ARG A 23 3.692 -7.647 -2.230 1.00 0.00 C ATOM 321 O ARG A 23 3.972 -8.813 -2.505 1.00 0.00 O ATOM 322 CB ARG A 23 4.039 -6.456 -0.073 1.00 0.00 C ATOM 323 CG ARG A 23 4.478 -7.510 0.947 1.00 0.00 C ATOM 324 CD ARG A 23 3.516 -8.699 0.897 1.00 0.00 C ATOM 325 NE ARG A 23 4.019 -9.806 1.715 1.00 0.00 N ATOM 326 CZ ARG A 23 5.047 -10.572 1.322 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.655 -10.361 0.178 1.00 0.00 N ATOM 328 NH2 ARG A 23 5.450 -11.545 2.091 1.00 0.00 N ATOM 0 H ARG A 23 4.685 -4.686 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 23 5.598 -7.306 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.349 -5.464 0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.952 -6.441 -0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.494 -7.841 0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.490 -7.080 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.533 -8.393 1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.391 -9.029 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 23 3.573 -10.000 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.347 -9.603 -0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.435 -10.955 -0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.984 -11.717 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.231 -12.134 1.802 1.00 0.00 H new ATOM 342 N ARG A 24 2.549 -7.069 -2.600 1.00 0.00 N ATOM 343 CA ARG A 24 1.551 -7.814 -3.368 1.00 0.00 C ATOM 344 C ARG A 24 2.137 -8.285 -4.694 1.00 0.00 C ATOM 345 O ARG A 24 1.714 -9.303 -5.243 1.00 0.00 O ATOM 346 CB ARG A 24 0.307 -6.965 -3.635 1.00 0.00 C ATOM 347 CG ARG A 24 0.686 -5.678 -4.374 1.00 0.00 C ATOM 348 CD ARG A 24 -0.449 -4.652 -4.248 1.00 0.00 C ATOM 349 NE ARG A 24 -0.802 -4.434 -2.845 1.00 0.00 N ATOM 350 CZ ARG A 24 -1.837 -5.048 -2.256 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.567 -5.936 -2.889 1.00 0.00 N ATOM 352 NH2 ARG A 24 -2.102 -4.778 -1.013 1.00 0.00 N ATOM 0 H ARG A 24 2.294 -6.105 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 24 1.261 -8.680 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.409 -7.534 -4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.183 -6.720 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.607 -5.268 -3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.878 -5.894 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.144 -3.709 -4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.323 -5.002 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.237 -3.788 -2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.353 -6.176 -3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.349 -6.386 -2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.526 -4.109 -0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.886 -5.236 -0.548 1.00 0.00 H new ATOM 366 N GLU A 25 3.130 -7.550 -5.198 1.00 0.00 N ATOM 367 CA GLU A 25 3.778 -7.926 -6.452 1.00 0.00 C ATOM 368 C GLU A 25 4.394 -9.314 -6.313 1.00 0.00 C ATOM 369 O GLU A 25 4.406 -10.109 -7.257 1.00 0.00 O ATOM 370 CB GLU A 25 4.875 -6.921 -6.815 1.00 0.00 C ATOM 371 CG GLU A 25 4.942 -6.760 -8.335 1.00 0.00 C ATOM 372 CD GLU A 25 5.561 -8.009 -8.953 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.586 -8.446 -8.456 1.00 0.00 O ATOM 374 OE2 GLU A 25 5.001 -8.510 -9.915 1.00 0.00 O ATOM 0 H GLU A 25 3.498 -6.704 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 25 3.027 -7.930 -7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.670 -5.959 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.837 -7.263 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.942 -6.599 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.535 -5.882 -8.592 1.00 0.00 H new ATOM 381 N GLN A 26 4.890 -9.602 -5.111 1.00 0.00 N ATOM 382 CA GLN A 26 5.491 -10.901 -4.833 1.00 0.00 C ATOM 383 C GLN A 26 4.410 -11.897 -4.426 1.00 0.00 C ATOM 384 O GLN A 26 4.474 -13.080 -4.761 1.00 0.00 O ATOM 385 CB GLN A 26 6.517 -10.789 -3.703 1.00 0.00 C ATOM 386 CG GLN A 26 7.563 -11.897 -3.851 1.00 0.00 C ATOM 387 CD GLN A 26 8.479 -11.896 -2.631 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.464 -12.835 -1.836 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.285 -10.889 -2.436 1.00 0.00 N ATOM 0 H GLN A 26 4.887 -8.957 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 26 5.991 -11.246 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.000 -9.812 -3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.020 -10.871 -2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.072 -12.865 -3.950 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.147 -11.742 -4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.297 -10.111 -3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.903 -10.880 -1.624 1.00 0.00 H new ATOM 398 N LEU A 27 3.405 -11.397 -3.704 1.00 0.00 N ATOM 399 CA LEU A 27 2.298 -12.247 -3.260 1.00 0.00 C ATOM 400 C LEU A 27 1.574 -12.834 -4.467 1.00 0.00 C ATOM 401 O LEU A 27 1.192 -14.004 -4.477 1.00 0.00 O ATOM 402 CB LEU A 27 1.294 -11.444 -2.428 1.00 0.00 C ATOM 403 CG LEU A 27 1.972 -10.911 -1.164 1.00 0.00 C ATOM 404 CD1 LEU A 27 1.082 -9.845 -0.512 1.00 0.00 C ATOM 405 CD2 LEU A 27 2.189 -12.063 -0.181 1.00 0.00 C ATOM 0 H LEU A 27 3.334 -10.421 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 27 2.714 -13.047 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.901 -10.615 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.446 -12.074 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 27 2.933 -10.468 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.567 -9.467 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.925 -9.024 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.120 -10.285 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.672 -11.686 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.227 -12.505 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.823 -12.820 -0.642 1.00 0.00 H new ATOM 417 N LYS A 28 1.395 -12.000 -5.489 1.00 0.00 N ATOM 418 CA LYS A 28 0.718 -12.433 -6.707 1.00 0.00 C ATOM 419 C LYS A 28 1.632 -13.339 -7.526 1.00 0.00 C ATOM 420 O LYS A 28 1.172 -14.253 -8.209 1.00 0.00 O ATOM 421 CB LYS A 28 0.321 -11.226 -7.557 1.00 0.00 C ATOM 422 CG LYS A 28 -1.025 -10.682 -7.074 1.00 0.00 C ATOM 423 CD LYS A 28 -2.157 -11.529 -7.659 1.00 0.00 C ATOM 424 CE LYS A 28 -3.428 -11.323 -6.833 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.839 -9.893 -6.899 1.00 0.00 N ATOM 0 H LYS A 28 1.707 -11.029 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.178 -12.982 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.085 -10.451 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.254 -11.513 -8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.067 -10.701 -5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.140 -9.642 -7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.336 -11.249 -8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.876 -12.582 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.227 -11.960 -7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.252 -11.614 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.800 -9.790 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.178 -9.316 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.826 -9.573 -7.889 1.00 0.00 H new ATOM 439 N HIS A 29 2.935 -13.078 -7.447 1.00 0.00 N ATOM 440 CA HIS A 29 3.911 -13.880 -8.185 1.00 0.00 C ATOM 441 C HIS A 29 3.807 -15.355 -7.800 1.00 0.00 C ATOM 442 O HIS A 29 4.125 -16.240 -8.594 1.00 0.00 O ATOM 443 CB HIS A 29 5.335 -13.388 -7.898 1.00 0.00 C ATOM 444 CG HIS A 29 5.737 -12.374 -8.932 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.472 -12.549 -10.282 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.388 -11.169 -8.833 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.957 -11.476 -10.933 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.524 -10.604 -10.097 1.00 0.00 N ATOM 0 H HIS A 29 3.337 -12.327 -6.887 1.00 0.00 H new ATOM 0 HA HIS A 29 3.693 -13.771 -9.248 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.384 -12.946 -6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.030 -14.228 -7.909 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.741 -10.727 -7.913 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.895 -11.337 -12.002 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.963 -9.714 -10.334 1.00 0.00 H new ATOM 647 N LYS B 9 -3.933 14.901 -3.264 1.00 0.00 N ATOM 648 CA LYS B 9 -2.918 13.866 -3.440 1.00 0.00 C ATOM 649 C LYS B 9 -2.724 13.083 -2.144 1.00 0.00 C ATOM 650 O LYS B 9 -2.428 11.889 -2.163 1.00 0.00 O ATOM 651 CB LYS B 9 -1.582 14.490 -3.850 1.00 0.00 C ATOM 652 CG LYS B 9 -1.511 14.588 -5.374 1.00 0.00 C ATOM 653 CD LYS B 9 -0.065 14.393 -5.832 1.00 0.00 C ATOM 654 CE LYS B 9 -0.049 13.675 -7.183 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.691 14.541 -8.212 1.00 0.00 N ATOM 0 HA LYS B 9 -3.259 13.191 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.480 15.480 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.756 13.886 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -2.152 13.832 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.880 15.559 -5.704 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.434 15.358 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.486 13.812 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.976 13.446 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.579 12.726 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.489 14.162 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -1.719 14.559 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.313 15.507 -8.138 1.00 0.00 H new ATOM 669 N ASN B 10 -2.898 13.771 -1.019 1.00 0.00 N ATOM 670 CA ASN B 10 -2.741 13.132 0.284 1.00 0.00 C ATOM 671 C ASN B 10 -3.932 12.227 0.578 1.00 0.00 C ATOM 672 O ASN B 10 -3.787 11.158 1.174 1.00 0.00 O ATOM 673 CB ASN B 10 -2.630 14.185 1.389 1.00 0.00 C ATOM 674 CG ASN B 10 -1.196 14.697 1.462 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.509 14.791 0.445 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.697 15.037 2.620 1.00 0.00 N ATOM 0 H ASN B 10 -3.145 14.760 -0.982 1.00 0.00 H new ATOM 0 HA ASN B 10 -1.828 12.537 0.259 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.312 15.011 1.189 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.923 13.755 2.347 1.00 0.00 H new ATOM 0 HD21 ASN B 10 0.262 15.380 2.681 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.266 14.959 3.463 1.00 0.00 H new ATOM 683 N ASP B 11 -5.112 12.666 0.152 1.00 0.00 N ATOM 684 CA ASP B 11 -6.328 11.888 0.372 1.00 0.00 C ATOM 685 C ASP B 11 -6.239 10.549 -0.353 1.00 0.00 C ATOM 686 O ASP B 11 -6.495 9.493 0.228 1.00 0.00 O ATOM 687 CB ASP B 11 -7.552 12.651 -0.139 1.00 0.00 C ATOM 688 CG ASP B 11 -8.818 12.034 0.448 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.897 11.931 1.661 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.689 11.671 -0.327 1.00 0.00 O ATOM 0 H ASP B 11 -5.253 13.547 -0.343 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.430 11.717 1.444 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.482 13.702 0.143 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.588 12.615 -1.228 1.00 0.00 H new ATOM 695 N THR B 12 -5.871 10.605 -1.631 1.00 0.00 N ATOM 696 CA THR B 12 -5.749 9.391 -2.432 1.00 0.00 C ATOM 697 C THR B 12 -4.682 8.469 -1.846 1.00 0.00 C ATOM 698 O THR B 12 -4.788 7.245 -1.921 1.00 0.00 O ATOM 699 CB THR B 12 -5.375 9.735 -3.877 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.187 8.534 -4.614 1.00 0.00 O ATOM 701 CG2 THR B 12 -4.082 10.555 -3.900 1.00 0.00 C ATOM 0 H THR B 12 -5.654 11.468 -2.129 1.00 0.00 H new ATOM 0 HA THR B 12 -6.713 8.883 -2.420 1.00 0.00 H new ATOM 0 HB THR B 12 -6.178 10.320 -4.326 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.949 8.752 -5.539 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.822 10.796 -4.931 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.226 11.477 -3.337 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.276 9.976 -3.449 1.00 0.00 H new ATOM 709 N HIS B 13 -3.654 9.077 -1.258 1.00 0.00 N ATOM 710 CA HIS B 13 -2.569 8.306 -0.656 1.00 0.00 C ATOM 711 C HIS B 13 -3.099 7.429 0.474 1.00 0.00 C ATOM 712 O HIS B 13 -2.664 6.293 0.656 1.00 0.00 O ATOM 713 CB HIS B 13 -1.495 9.241 -0.098 1.00 0.00 C ATOM 714 CG HIS B 13 -0.474 9.530 -1.164 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.112 8.526 -1.919 1.00 0.00 N ATOM 716 CD2 HIS B 13 0.075 10.706 -1.614 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.970 9.110 -2.775 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.989 10.438 -2.630 1.00 0.00 N ATOM 0 H HIS B 13 -3.550 10.089 -1.186 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.135 7.675 -1.432 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.950 10.170 0.245 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.014 8.783 0.766 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.074 7.526 -1.840 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.166 11.689 -1.237 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.571 8.571 -3.492 1.00 0.00 H new ATOM 726 N GLN B 14 -4.048 7.974 1.229 1.00 0.00 N ATOM 727 CA GLN B 14 -4.639 7.236 2.342 1.00 0.00 C ATOM 728 C GLN B 14 -5.533 6.118 1.818 1.00 0.00 C ATOM 729 O GLN B 14 -5.487 4.987 2.305 1.00 0.00 O ATOM 730 CB GLN B 14 -5.471 8.171 3.223 1.00 0.00 C ATOM 731 CG GLN B 14 -4.582 8.766 4.317 1.00 0.00 C ATOM 732 CD GLN B 14 -5.066 10.170 4.658 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.237 10.496 4.461 1.00 0.00 O ATOM 734 NE2 GLN B 14 -4.226 11.031 5.164 1.00 0.00 N ATOM 0 H GLN B 14 -4.421 8.913 1.094 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.829 6.809 2.934 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.904 8.968 2.618 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.300 7.624 3.671 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.609 8.135 5.205 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -3.546 8.799 3.980 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -3.256 10.762 5.327 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.540 11.973 5.396 1.00 0.00 H new ATOM 743 N GLN B 15 -6.347 6.446 0.818 1.00 0.00 N ATOM 744 CA GLN B 15 -7.248 5.461 0.229 1.00 0.00 C ATOM 745 C GLN B 15 -6.453 4.323 -0.400 1.00 0.00 C ATOM 746 O GLN B 15 -6.817 3.152 -0.285 1.00 0.00 O ATOM 747 CB GLN B 15 -8.124 6.109 -0.844 1.00 0.00 C ATOM 748 CG GLN B 15 -9.455 5.363 -0.940 1.00 0.00 C ATOM 749 CD GLN B 15 -10.565 6.345 -1.302 1.00 0.00 C ATOM 750 OE1 GLN B 15 -11.647 6.311 -0.716 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.358 7.226 -2.242 1.00 0.00 N ATOM 0 H GLN B 15 -6.401 7.376 0.403 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.881 5.067 1.024 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.300 7.157 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.613 6.087 -1.807 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.390 4.578 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.681 4.877 0.009 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.461 7.253 -2.727 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.093 7.887 -2.492 1.00 0.00 H new ATOM 760 N ASP B 16 -5.356 4.680 -1.064 1.00 0.00 N ATOM 761 CA ASP B 16 -4.506 3.681 -1.705 1.00 0.00 C ATOM 762 C ASP B 16 -3.935 2.726 -0.662 1.00 0.00 C ATOM 763 O ASP B 16 -3.864 1.518 -0.875 1.00 0.00 O ATOM 764 CB ASP B 16 -3.350 4.355 -2.448 1.00 0.00 C ATOM 765 CG ASP B 16 -2.949 3.503 -3.647 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.762 3.356 -4.544 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.833 3.008 -3.650 1.00 0.00 O ATOM 0 H ASP B 16 -5.038 5.643 -1.172 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.117 3.125 -2.416 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.648 5.350 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.499 4.483 -1.779 1.00 0.00 H new ATOM 772 N ILE B 17 -3.537 3.289 0.476 1.00 0.00 N ATOM 773 CA ILE B 17 -2.975 2.489 1.565 1.00 0.00 C ATOM 774 C ILE B 17 -3.988 1.437 2.021 1.00 0.00 C ATOM 775 O ILE B 17 -3.804 0.239 1.816 1.00 0.00 O ATOM 776 CB ILE B 17 -2.598 3.413 2.754 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.224 4.052 2.489 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.554 2.641 4.091 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.141 2.971 2.384 1.00 0.00 C ATOM 0 H ILE B 17 -3.592 4.289 0.669 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.079 1.982 1.208 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.366 4.182 2.836 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.258 4.632 1.567 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.977 4.745 3.293 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.286 3.324 4.897 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.533 2.207 4.293 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.811 1.846 4.028 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.825 3.440 2.196 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -0.096 2.409 3.317 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.381 2.294 1.564 1.00 0.00 H new ATOM 791 N ASP B 18 -5.046 1.914 2.677 1.00 0.00 N ATOM 792 CA ASP B 18 -6.083 1.036 3.211 1.00 0.00 C ATOM 793 C ASP B 18 -6.503 -0.031 2.193 1.00 0.00 C ATOM 794 O ASP B 18 -6.873 -1.146 2.560 1.00 0.00 O ATOM 795 CB ASP B 18 -7.312 1.856 3.615 1.00 0.00 C ATOM 796 CG ASP B 18 -7.222 2.222 5.094 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.444 3.104 5.418 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.932 1.617 5.878 1.00 0.00 O ATOM 0 H ASP B 18 -5.206 2.906 2.851 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.666 0.534 4.084 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.373 2.760 3.010 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.221 1.284 3.426 1.00 0.00 H new ATOM 803 N ASP B 19 -6.432 0.324 0.913 1.00 0.00 N ATOM 804 CA ASP B 19 -6.798 -0.613 -0.146 1.00 0.00 C ATOM 805 C ASP B 19 -5.742 -1.706 -0.261 1.00 0.00 C ATOM 806 O ASP B 19 -6.057 -2.885 -0.425 1.00 0.00 O ATOM 807 CB ASP B 19 -6.918 0.111 -1.488 1.00 0.00 C ATOM 808 CG ASP B 19 -7.809 -0.697 -2.426 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.843 -1.162 -1.975 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.444 -0.839 -3.582 1.00 0.00 O ATOM 0 H ASP B 19 -6.129 1.241 0.586 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.761 -1.056 0.108 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.337 1.106 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.931 0.243 -1.931 1.00 0.00 H new ATOM 815 N LEU B 20 -4.481 -1.296 -0.160 1.00 0.00 N ATOM 816 CA LEU B 20 -3.367 -2.237 -0.241 1.00 0.00 C ATOM 817 C LEU B 20 -3.324 -3.110 1.014 1.00 0.00 C ATOM 818 O LEU B 20 -3.613 -4.305 0.970 1.00 0.00 O ATOM 819 CB LEU B 20 -2.044 -1.476 -0.370 1.00 0.00 C ATOM 820 CG LEU B 20 -2.006 -0.728 -1.706 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.904 0.333 -1.669 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.720 -1.716 -2.838 1.00 0.00 C ATOM 0 H LEU B 20 -4.205 -0.324 -0.023 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.510 -2.869 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.937 -0.772 0.455 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.206 -2.171 -0.307 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.969 -0.247 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.878 0.864 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.106 1.040 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.059 -0.148 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.693 -1.183 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.758 -2.199 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.505 -2.472 -2.868 1.00 0.00 H new ATOM 834 N LYS B 21 -2.959 -2.491 2.140 1.00 0.00 N ATOM 835 CA LYS B 21 -2.866 -3.201 3.427 1.00 0.00 C ATOM 836 C LYS B 21 -4.055 -4.140 3.660 1.00 0.00 C ATOM 837 O LYS B 21 -3.930 -5.164 4.332 1.00 0.00 O ATOM 838 CB LYS B 21 -2.805 -2.199 4.580 1.00 0.00 C ATOM 839 CG LYS B 21 -1.430 -1.527 4.603 1.00 0.00 C ATOM 840 CD LYS B 21 -1.055 -1.179 6.046 1.00 0.00 C ATOM 841 CE LYS B 21 0.454 -1.343 6.235 1.00 0.00 C ATOM 842 NZ LYS B 21 0.782 -1.256 7.687 1.00 0.00 N ATOM 0 H LYS B 21 -2.722 -1.500 2.191 1.00 0.00 H new ATOM 0 HA LYS B 21 -1.956 -3.799 3.390 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.586 -1.448 4.464 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -2.989 -2.707 5.527 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -0.681 -2.192 4.172 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.444 -0.624 3.992 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.351 -0.155 6.273 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.592 -1.827 6.739 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.780 -2.303 5.834 1.00 0.00 H new ATOM 0 HE3 LYS B 21 0.987 -0.569 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.808 -1.367 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.484 -0.330 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.283 -2.010 8.201 1.00 0.00 H new ATOM 856 N ARG B 22 -5.207 -3.782 3.101 1.00 0.00 N ATOM 857 CA ARG B 22 -6.403 -4.604 3.262 1.00 0.00 C ATOM 858 C ARG B 22 -6.455 -5.699 2.199 1.00 0.00 C ATOM 859 O ARG B 22 -6.916 -6.812 2.457 1.00 0.00 O ATOM 860 CB ARG B 22 -7.663 -3.745 3.151 1.00 0.00 C ATOM 861 CG ARG B 22 -8.882 -4.569 3.572 1.00 0.00 C ATOM 862 CD ARG B 22 -10.128 -3.683 3.558 1.00 0.00 C ATOM 863 NE ARG B 22 -10.561 -3.422 2.181 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.232 -4.332 1.460 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.534 -5.506 1.960 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.592 -4.044 0.240 1.00 0.00 N ATOM 0 H ARG B 22 -5.338 -2.940 2.540 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.359 -5.062 4.250 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.571 -2.863 3.784 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -7.786 -3.391 2.127 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.015 -5.412 2.895 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.728 -4.982 4.569 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.932 -4.168 4.112 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.916 -2.741 4.063 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.345 -2.519 1.758 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.258 -5.741 2.914 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.045 -6.185 1.395 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.363 -3.133 -0.158 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.103 -4.730 -0.316 1.00 0.00 H new ATOM 880 N GLN B 23 -5.981 -5.372 1.001 1.00 0.00 N ATOM 881 CA GLN B 23 -5.984 -6.335 -0.098 1.00 0.00 C ATOM 882 C GLN B 23 -4.949 -7.433 0.139 1.00 0.00 C ATOM 883 O GLN B 23 -5.166 -8.593 -0.215 1.00 0.00 O ATOM 884 CB GLN B 23 -5.681 -5.634 -1.426 1.00 0.00 C ATOM 885 CG GLN B 23 -5.865 -6.619 -2.585 1.00 0.00 C ATOM 886 CD GLN B 23 -7.331 -7.028 -2.681 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.222 -6.182 -2.635 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.635 -8.290 -2.813 1.00 0.00 N ATOM 0 H GLN B 23 -5.594 -4.458 0.766 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.976 -6.785 -0.144 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.343 -4.778 -1.555 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.661 -5.250 -1.421 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.543 -6.160 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.241 -7.499 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.895 -8.991 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -8.612 -8.575 -2.878 1.00 0.00 H new ATOM 897 N ASN B 24 -3.822 -7.063 0.743 1.00 0.00 N ATOM 898 CA ASN B 24 -2.767 -8.035 1.020 1.00 0.00 C ATOM 899 C ASN B 24 -3.118 -8.859 2.255 1.00 0.00 C ATOM 900 O ASN B 24 -2.773 -10.037 2.353 1.00 0.00 O ATOM 901 CB ASN B 24 -1.425 -7.332 1.253 1.00 0.00 C ATOM 902 CG ASN B 24 -0.659 -7.226 -0.063 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.927 -7.966 -1.009 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.295 -6.341 -0.175 1.00 0.00 N ATOM 0 H ASN B 24 -3.617 -6.111 1.046 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.681 -8.690 0.153 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.592 -6.338 1.668 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.836 -7.887 1.983 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.818 -6.263 -1.047 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.517 -5.728 0.610 1.00 0.00 H new ATOM 911 N ALA B 25 -3.812 -8.226 3.196 1.00 0.00 N ATOM 912 CA ALA B 25 -4.211 -8.908 4.424 1.00 0.00 C ATOM 913 C ALA B 25 -5.135 -10.078 4.106 1.00 0.00 C ATOM 914 O ALA B 25 -5.123 -11.102 4.790 1.00 0.00 O ATOM 915 CB ALA B 25 -4.935 -7.941 5.363 1.00 0.00 C ATOM 0 H ALA B 25 -4.108 -7.252 3.134 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.309 -9.279 4.912 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.225 -8.466 6.273 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.271 -7.115 5.617 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.825 -7.552 4.869 1.00 0.00 H new ATOM 921 N LEU B 26 -5.935 -9.916 3.056 1.00 0.00 N ATOM 922 CA LEU B 26 -6.864 -10.968 2.650 1.00 0.00 C ATOM 923 C LEU B 26 -6.147 -12.007 1.794 1.00 0.00 C ATOM 924 O LEU B 26 -6.445 -13.200 1.860 1.00 0.00 O ATOM 925 CB LEU B 26 -8.026 -10.377 1.849 1.00 0.00 C ATOM 926 CG LEU B 26 -9.145 -9.960 2.804 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.065 -8.958 2.107 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.954 -11.196 3.209 1.00 0.00 C ATOM 0 H LEU B 26 -5.960 -9.077 2.476 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.251 -11.443 3.551 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.685 -9.516 1.274 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.399 -11.110 1.134 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.712 -9.499 3.692 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.862 -8.661 2.788 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.491 -8.079 1.815 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.499 -9.419 1.219 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.752 -10.901 3.890 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.386 -11.655 2.320 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.300 -11.912 3.706 1.00 0.00 H new ATOM 940 N LEU B 27 -5.197 -11.539 0.990 1.00 0.00 N ATOM 941 CA LEU B 27 -4.438 -12.435 0.120 1.00 0.00 C ATOM 942 C LEU B 27 -3.482 -13.292 0.945 1.00 0.00 C ATOM 943 O LEU B 27 -3.479 -14.519 0.842 1.00 0.00 O ATOM 944 CB LEU B 27 -3.631 -11.633 -0.903 1.00 0.00 C ATOM 945 CG LEU B 27 -4.583 -10.998 -1.918 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.817 -9.991 -2.777 1.00 0.00 C ATOM 947 CD2 LEU B 27 -5.171 -12.089 -2.815 1.00 0.00 C ATOM 0 H LEU B 27 -4.935 -10.556 0.922 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.147 -13.078 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.051 -10.860 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.920 -12.284 -1.412 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.388 -10.486 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.496 -9.539 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.397 -9.214 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -3.012 -10.502 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.850 -11.638 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.365 -12.600 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.717 -12.807 -2.204 1.00 0.00 H new ATOM 959 N GLU B 28 -2.670 -12.630 1.768 1.00 0.00 N ATOM 960 CA GLU B 28 -1.707 -13.334 2.613 1.00 0.00 C ATOM 961 C GLU B 28 -2.417 -14.341 3.518 1.00 0.00 C ATOM 962 O GLU B 28 -1.975 -15.479 3.675 1.00 0.00 O ATOM 963 CB GLU B 28 -0.935 -12.336 3.483 1.00 0.00 C ATOM 964 CG GLU B 28 0.165 -13.066 4.256 1.00 0.00 C ATOM 965 CD GLU B 28 1.386 -12.160 4.388 1.00 0.00 C ATOM 966 OE1 GLU B 28 2.089 -12.000 3.404 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.600 -11.640 5.470 1.00 0.00 O ATOM 0 H GLU B 28 -2.659 -11.615 1.867 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.013 -13.865 1.961 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.498 -11.557 2.858 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.615 -11.843 4.178 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.198 -13.350 5.244 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.437 -13.987 3.739 1.00 0.00 H new ATOM 974 N GLN B 29 -3.528 -13.906 4.111 1.00 0.00 N ATOM 975 CA GLN B 29 -4.302 -14.774 5.002 1.00 0.00 C ATOM 976 C GLN B 29 -4.721 -16.052 4.279 1.00 0.00 C ATOM 977 O GLN B 29 -4.816 -17.121 4.883 1.00 0.00 O ATOM 978 CB GLN B 29 -5.556 -14.049 5.497 1.00 0.00 C ATOM 979 CG GLN B 29 -6.200 -14.859 6.625 1.00 0.00 C ATOM 980 CD GLN B 29 -7.452 -14.141 7.116 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.365 -13.172 7.870 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.625 -14.563 6.730 1.00 0.00 N ATOM 0 H GLN B 29 -3.911 -12.968 3.994 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.669 -15.031 5.851 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.296 -13.052 5.853 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.263 -13.921 4.677 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.456 -15.857 6.270 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.494 -14.984 7.446 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -8.698 -15.366 6.105 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.469 -14.090 7.053 1.00 0.00 H new ATOM 991 N GLN B 30 -4.963 -15.928 2.978 1.00 0.00 N ATOM 992 CA GLN B 30 -5.365 -17.080 2.175 1.00 0.00 C ATOM 993 C GLN B 30 -4.132 -17.848 1.710 1.00 0.00 C ATOM 994 O GLN B 30 -4.145 -19.075 1.607 1.00 0.00 O ATOM 995 CB GLN B 30 -6.165 -16.629 0.950 1.00 0.00 C ATOM 996 CG GLN B 30 -7.208 -17.693 0.601 1.00 0.00 C ATOM 997 CD GLN B 30 -6.538 -18.834 -0.157 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.288 -19.900 0.407 1.00 0.00 O ATOM 999 NE2 GLN B 30 -6.229 -18.674 -1.414 1.00 0.00 N ATOM 0 H GLN B 30 -4.889 -15.052 2.461 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.989 -17.725 2.793 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.655 -15.677 1.153 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.496 -16.469 0.104 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.675 -18.071 1.510 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -8.000 -17.255 -0.006 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -6.436 -17.791 -1.882 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -5.781 -19.431 -1.929 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.062 -17.106 1.438 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.813 -17.716 0.990 1.00 0.00 C ATOM 1010 C VAL B 31 -1.160 -18.482 2.139 1.00 0.00 C ATOM 1011 O VAL B 31 -0.508 -19.505 1.932 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.849 -16.635 0.480 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.427 -17.285 -0.064 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.527 -15.831 -0.638 1.00 0.00 C ATOM 0 H VAL B 31 -3.034 -16.090 1.519 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.036 -18.409 0.178 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.589 -15.971 1.305 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.105 -16.511 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.913 -17.853 0.729 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.172 -17.955 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.843 -15.063 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.790 -16.499 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.430 -15.359 -0.251 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.346 -17.974 3.355 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.774 -18.617 4.534 1.00 0.00 C ATOM 1026 C ARG B 32 -1.370 -20.009 4.722 1.00 0.00 C ATOM 1027 O ARG B 32 -0.668 -20.959 5.069 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.051 -17.782 5.787 1.00 0.00 C ATOM 1029 CG ARG B 32 0.113 -16.817 6.027 1.00 0.00 C ATOM 1030 CD ARG B 32 1.168 -17.499 6.900 1.00 0.00 C ATOM 1031 NE ARG B 32 2.484 -16.890 6.691 1.00 0.00 N ATOM 1032 CZ ARG B 32 2.804 -15.691 7.198 1.00 0.00 C ATOM 1033 NH1 ARG B 32 1.946 -15.003 7.911 1.00 0.00 N ATOM 1034 NH2 ARG B 32 3.993 -15.200 6.978 1.00 0.00 N ATOM 0 H ARG B 32 -1.882 -17.128 3.548 1.00 0.00 H new ATOM 0 HA ARG B 32 0.303 -18.699 4.384 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.980 -17.225 5.667 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -1.180 -18.435 6.650 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.552 -16.516 5.076 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.246 -15.910 6.514 1.00 0.00 H new ATOM 0 HD2 ARG B 32 0.887 -17.418 7.950 1.00 0.00 H new ATOM 0 HD3 ARG B 32 1.212 -18.562 6.663 1.00 0.00 H new ATOM 0 HE ARG B 32 3.180 -17.395 6.142 1.00 0.00 H new ATOM 0 HH11 ARG B 32 1.014 -15.378 8.089 1.00 0.00 H new ATOM 0 HH12 ARG B 32 2.210 -14.093 8.288 1.00 0.00 H new ATOM 0 HH21 ARG B 32 4.668 -15.728 6.425 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.247 -14.289 7.359 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.674 -20.117 4.489 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.362 -21.397 4.635 1.00 0.00 C ATOM 1050 C ALA B 33 -2.803 -22.417 3.648 1.00 0.00 C ATOM 1051 O ALA B 33 -2.722 -23.610 3.945 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.862 -21.231 4.383 1.00 0.00 C ATOM 0 H ALA B 33 -3.272 -19.342 4.201 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.202 -21.750 5.654 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.359 -22.195 4.496 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.275 -20.523 5.101 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.022 -20.857 3.372 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.418 -21.935 2.470 1.00 0.00 N ATOM 1059 CA LEU B 34 -1.867 -22.812 1.442 1.00 0.00 C ATOM 1060 C LEU B 34 -0.345 -22.709 1.413 1.00 0.00 C ATOM 1061 O LEU B 34 0.288 -22.994 0.397 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.419 -22.439 0.066 1.00 0.00 C ATOM 1063 CG LEU B 34 -3.788 -23.089 -0.131 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -4.843 -22.302 0.648 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.145 -23.086 -1.619 1.00 0.00 C ATOM 0 H LEU B 34 -2.476 -20.952 2.205 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.157 -23.835 1.683 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.504 -21.356 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.733 -22.769 -0.714 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.758 -24.116 0.233 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.820 -22.765 0.508 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.589 -22.304 1.708 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.873 -21.275 0.284 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.121 -23.550 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.175 -22.059 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.394 -23.647 -2.175 1.00 0.00 H new