USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 Set 1.1: A 26 ASN A: amide:sc= 0.549 K(o=-0.28,f=-9.9!) USER MOD Set 1.2: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.3: A 29 THR OG1B: rot 180:sc= -0.826 USER MOD Set 2.1: A 13 LYS NZ B:NH3+ -169:sc= -0.452 (180deg=-0.621) USER MOD Set 2.2: A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.731 K(o=-0.73,f=-2.8) USER MOD Single : A 18 ASN B: amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 19 SER OG A: rot 59:sc= 0.184 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.0289 USER MOD Single : A 23 TYR OH A: rot 30:sc= -0.0151 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 26 ASN B: amide:sc= 0.727 K(o=0.73,f=-9.4!) USER MOD Single : A 27 HIS A:FLIP no HD1:sc= -0.296 F(o=-1.6,f=-0.3) USER MOD Single : A 27 HIS B: no HD1:sc= -2.15 K(o=-2.1,f=-2.7) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.653 K(o=0.65,f=-0.05) USER MOD Single : A 32 SER OG A: rot -10:sc= 0.726 USER MOD Single : A 32 SER OG B: rot 11:sc= 0.16 USER MOD Single : A 33 GLN A: amide:sc= 0.615 K(o=0.62,f=-0.011) USER MOD Single : A 33 GLN B: amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc=-0.000467 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.0489 USER MOD ----------------------------------------------------------------- ATOM 67 N ALEU A 7 -14.984 -2.739 0.012 0.20 0.00 N ATOM 68 N BLEU A 7 -15.237 -2.991 -0.859 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.829 -1.642 0.962 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.695 -1.862 -0.110 0.80 0.00 C ATOM 71 C ALEU A 7 -16.174 -1.002 1.281 0.20 0.00 C ATOM 72 C BLEU A 7 -15.818 -1.000 0.463 0.80 0.00 C ATOM 73 O ALEU A 7 -17.109 -1.032 0.480 0.20 0.00 O ATOM 74 O BLEU A 7 -16.895 -0.873 -0.121 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.869 -0.589 0.402 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.793 -1.014 -1.007 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.554 -1.118 -0.174 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.289 -1.148 -0.766 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.281 -0.499 -1.535 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.864 -2.606 -0.850 0.80 0.00 C ATOM 81 CD2ALEU A 7 -11.403 -0.834 0.783 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.511 -0.303 -1.762 0.80 0.00 C ATOM 0 HA ALEU A 7 -14.415 -2.049 1.885 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.105 -2.256 0.717 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.387 -0.033 -0.379 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.999 -1.274 -2.045 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.635 0.120 1.196 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -14.069 0.033 -0.880 0.80 0.00 H new ATOM 0 HG ALEU A 7 -12.641 -2.197 -0.299 0.20 0.00 H new ATOM 0 HG BLEU A 7 -12.067 -0.784 0.237 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.342 -0.887 -1.929 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.791 -2.683 -0.676 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -13.092 -0.750 -2.218 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.396 -3.184 -0.095 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -12.213 0.584 -1.435 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.100 -2.997 -1.840 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -10.475 -1.216 0.359 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.443 -0.411 -1.575 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.315 0.241 0.938 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.737 -0.635 -2.775 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -11.594 -1.324 1.738 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.795 0.744 -1.651 0.80 0.00 H new ATOM 105 N APRO A 8 -16.277 -0.403 2.477 0.20 0.00 N ATOM 106 N BPRO A 8 -15.562 -0.393 1.630 0.80 0.00 N ATOM 107 CA APRO A 8 -17.505 0.258 2.928 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.536 0.469 2.306 0.80 0.00 C ATOM 109 C APRO A 8 -17.789 1.541 2.155 0.20 0.00 C ATOM 110 C BPRO A 8 -16.762 1.781 1.562 0.80 0.00 C ATOM 111 O APRO A 8 -16.998 1.981 1.321 0.20 0.00 O ATOM 112 O BPRO A 8 -15.945 2.210 0.748 0.80 0.00 O ATOM 113 CB APRO A 8 -17.217 0.575 4.399 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.892 0.732 3.669 0.80 0.00 C ATOM 115 CG APRO A 8 -15.731 0.659 4.484 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.431 0.562 3.437 0.80 0.00 C ATOM 117 CD APRO A 8 -15.202 -0.328 3.481 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.299 -0.501 2.382 0.80 0.00 C ATOM 0 HA APRO A 8 -18.384 -0.368 2.776 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.519 0.003 2.367 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.685 1.512 4.701 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.122 1.735 4.028 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.608 -0.202 5.056 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.257 0.033 4.421 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.384 1.668 4.259 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.977 1.497 3.108 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.383 0.419 5.489 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.922 0.266 4.354 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.264 0.010 3.041 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.434 -0.327 1.742 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.009 -1.299 3.936 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.176 -1.491 2.822 0.80 0.00 H new ATOM 133 N APRO A 9 -18.948 2.156 2.434 0.20 0.00 N ATOM 134 N BPRO A 9 -17.901 2.433 1.845 0.80 0.00 N ATOM 135 CA APRO A 9 -19.365 3.398 1.775 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.260 3.706 1.213 0.80 0.00 C ATOM 137 C APRO A 9 -18.515 4.592 2.197 0.20 0.00 C ATOM 138 C BPRO A 9 -17.371 4.854 1.677 0.80 0.00 C ATOM 139 O APRO A 9 -18.841 5.290 3.156 0.20 0.00 O ATOM 140 O BPRO A 9 -16.958 4.905 2.835 0.80 0.00 O ATOM 141 CB APRO A 9 -20.812 3.579 2.240 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.705 3.931 1.669 0.80 0.00 C ATOM 143 CG APRO A 9 -20.885 2.853 3.539 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.822 3.175 2.946 0.80 0.00 C ATOM 145 CD APRO A 9 -19.941 1.688 3.415 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.922 1.979 2.804 0.80 0.00 C ATOM 0 HA APRO A 9 -19.256 3.341 0.692 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.139 3.673 0.130 0.80 0.00 H new ATOM 0 HB2APRO A 9 -21.060 4.633 2.361 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.913 4.991 1.816 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.515 3.167 1.516 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.415 3.567 0.927 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.597 3.502 4.366 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.521 3.791 3.793 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.901 2.513 3.740 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.853 2.869 3.125 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.477 1.443 4.371 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.479 1.694 3.758 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.454 0.790 3.070 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.464 1.110 2.432 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.423 4.822 1.475 0.20 0.00 N ATOM 162 N BGLY A 10 -17.080 5.777 0.763 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.545 5.932 1.790 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.241 6.913 1.098 0.80 0.00 C ATOM 165 C AGLY A 10 -15.079 5.565 1.661 0.20 0.00 C ATOM 166 C BGLY A 10 -14.780 6.670 0.773 0.80 0.00 C ATOM 167 O AGLY A 10 -14.232 6.113 2.366 0.20 0.00 O ATOM 168 O BGLY A 10 -14.045 7.606 0.459 0.80 0.00 O ATOM 0 H AGLY A 10 -17.131 4.258 0.677 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.410 5.758 -0.202 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.767 6.767 1.126 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.590 7.791 0.555 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.744 6.271 2.807 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.342 7.135 2.160 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.780 4.639 0.759 0.20 0.00 N ATOM 176 N BTRP A 11 -14.360 5.415 0.849 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.406 4.198 0.541 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.976 5.052 0.562 0.80 0.00 C ATOM 179 C ATRP A 11 -13.183 3.810 -0.915 0.20 0.00 C ATOM 180 C BTRP A 11 -12.782 4.783 -0.926 0.80 0.00 C ATOM 181 O ATRP A 11 -13.991 3.096 -1.507 0.20 0.00 O ATOM 182 O BTRP A 11 -13.673 4.255 -1.592 0.80 0.00 O ATOM 183 CB ATRP A 11 -13.077 3.016 1.454 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.570 3.821 1.373 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.870 3.409 2.886 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.484 4.083 2.846 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.835 3.591 3.834 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.477 3.907 3.770 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.618 3.671 3.529 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.346 4.569 3.567 0.80 0.00 C ATOM 191 NE1ATRP A 11 -13.259 3.950 5.028 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.022 4.255 5.019 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.900 4.005 4.868 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.719 4.665 4.921 0.80 0.00 C ATOM 195 CE3ATRP A 11 -10.286 3.653 3.106 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.048 4.932 3.198 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.899 4.319 5.783 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -10.840 5.107 5.906 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -9.294 3.964 4.015 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.177 5.373 4.176 0.80 0.00 C ATOM 201 CH2ATRP A 11 -9.604 4.294 5.342 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.574 5.456 5.517 0.80 0.00 C ATOM 0 H ATRP A 11 -15.470 4.178 0.166 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.957 4.629 1.107 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.742 5.028 0.781 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.340 5.890 0.847 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.886 2.287 1.398 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.291 3.023 1.194 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -12.177 2.522 1.087 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.604 3.463 1.018 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.896 3.470 3.669 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.472 3.548 3.550 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -13.762 4.144 5.894 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.567 4.214 5.880 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -10.037 3.400 2.086 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.731 4.869 2.167 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -11.136 4.573 6.805 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.145 5.172 6.940 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -8.262 3.953 3.698 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.172 5.659 3.902 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.806 4.533 6.029 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -8.868 5.802 6.258 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.081 4.286 -1.488 0.20 0.00 N ATOM 224 N BGLU A 12 -11.611 5.146 -1.441 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.753 3.987 -2.878 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.301 4.942 -2.852 0.80 0.00 C ATOM 227 C AGLU A 12 -10.340 3.423 -2.995 0.20 0.00 C ATOM 228 C BGLU A 12 -9.928 4.300 -3.021 0.80 0.00 C ATOM 229 O AGLU A 12 -9.501 3.633 -2.119 0.20 0.00 O ATOM 230 O BGLU A 12 -8.964 4.688 -2.360 0.80 0.00 O ATOM 231 CB AGLU A 12 -11.884 5.246 -3.738 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.351 6.273 -3.605 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.717 6.206 -3.592 0.20 0.00 C ATOM 234 CG BGLU A 12 -11.181 6.128 -5.108 0.80 0.00 C ATOM 235 CD AGLU A 12 -9.911 6.344 -4.871 0.20 0.00 C ATOM 236 CD BGLU A 12 -11.883 4.902 -5.660 0.80 0.00 C ATOM 237 OE1AGLU A 12 -9.488 5.305 -5.418 0.20 0.00 O ATOM 238 OE1BGLU A 12 -13.101 4.760 -5.421 0.80 0.00 O ATOM 239 OE2AGLU A 12 -9.706 7.490 -5.322 0.20 0.00 O ATOM 240 OE2BGLU A 12 -11.215 4.085 -6.328 0.80 0.00 O ATOM 0 H AGLU A 12 -11.401 4.879 -1.012 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.862 5.582 -0.903 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.456 3.235 -3.237 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.050 4.269 -3.268 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -11.974 4.953 -4.784 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -12.304 6.761 -3.401 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.805 5.764 -3.471 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.569 6.928 -3.221 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.092 7.186 -3.296 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -11.571 7.018 -5.601 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.064 5.859 -2.791 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -10.119 6.071 -5.346 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.084 2.703 -4.082 0.20 0.00 N ATOM 254 N BLYS A 13 -9.846 3.317 -3.908 0.80 0.00 N ATOM 255 CA ALYS A 13 -8.775 2.109 -4.317 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.590 2.620 -4.167 0.80 0.00 C ATOM 257 C ALYS A 13 -7.940 2.979 -5.252 0.20 0.00 C ATOM 258 C BLYS A 13 -7.714 3.415 -5.128 0.80 0.00 C ATOM 259 O ALYS A 13 -8.311 3.198 -6.405 0.20 0.00 O ATOM 260 O BLYS A 13 -8.154 3.793 -6.215 0.80 0.00 O ATOM 261 CB ALYS A 13 -8.927 0.706 -4.909 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.864 1.228 -4.741 0.80 0.00 C ATOM 263 CG ALYS A 13 -7.608 0.067 -5.305 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.610 0.392 -4.934 0.80 0.00 C ATOM 265 CD ALYS A 13 -7.823 -1.225 -6.076 0.20 0.00 C ATOM 266 CD BLYS A 13 -7.904 -0.883 -5.708 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.864 -2.428 -5.146 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.177 -2.050 -4.774 0.80 0.00 C ATOM 269 NZ ALYS A 13 -9.124 -3.206 -5.299 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.925 -2.586 -4.172 0.80 0.00 N ATOM 0 H ALYS A 13 -10.768 2.517 -4.815 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.635 2.983 -4.462 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.260 2.039 -3.359 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.059 2.518 -3.221 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -9.427 0.066 -4.182 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.545 0.698 -4.076 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.573 0.759 -5.785 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.372 1.333 -5.700 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.034 0.764 -5.915 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -6.860 0.977 -5.466 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.018 -0.136 -4.411 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.187 0.139 -3.962 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -8.756 -1.165 -6.636 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.765 -0.726 -6.357 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -7.022 -1.353 -6.804 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.058 -1.122 -6.353 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -7.011 -3.075 -5.351 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.853 -1.729 -3.981 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -7.768 -2.092 -4.114 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.684 -2.843 -5.323 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -9.112 -4.017 -4.648 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.128 -3.487 -3.694 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -9.937 -2.597 -5.078 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.219 -2.742 -4.920 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -9.204 -3.549 -6.278 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.552 -1.904 -3.481 0.80 0.00 H new ATOM 297 N AARG A 14 -6.815 3.472 -4.747 0.20 0.00 N ATOM 298 N BARG A 14 -6.475 3.665 -4.724 0.80 0.00 N ATOM 299 CA AARG A 14 -5.929 4.319 -5.539 0.20 0.00 C ATOM 300 CA BARG A 14 -5.537 4.415 -5.550 0.80 0.00 C ATOM 301 C AARG A 14 -4.559 3.665 -5.707 0.20 0.00 C ATOM 302 C BARG A 14 -4.260 3.614 -5.790 0.80 0.00 C ATOM 303 O AARG A 14 -4.167 2.811 -4.910 0.20 0.00 O ATOM 304 O BARG A 14 -4.014 2.607 -5.126 0.80 0.00 O ATOM 305 CB AARG A 14 -5.774 5.689 -4.877 0.20 0.00 C ATOM 306 CB BARG A 14 -5.195 5.750 -4.887 0.80 0.00 C ATOM 307 CG AARG A 14 -6.497 6.805 -5.614 0.20 0.00 C ATOM 308 CG BARG A 14 -6.413 6.597 -4.558 0.80 0.00 C ATOM 309 CD AARG A 14 -5.765 8.129 -5.476 0.20 0.00 C ATOM 310 CD BARG A 14 -6.804 7.489 -5.727 0.80 0.00 C ATOM 311 NE AARG A 14 -5.742 8.877 -6.729 0.20 0.00 N ATOM 312 NE BARG A 14 -5.722 8.391 -6.114 0.80 0.00 N ATOM 313 CZ AARG A 14 -4.865 9.837 -6.998 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.665 9.005 -7.290 0.80 0.00 C ATOM 315 NH1AARG A 14 -3.942 10.164 -6.104 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.623 8.819 -8.188 0.80 0.00 N ATOM 317 NH2AARG A 14 -4.909 10.472 -8.163 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.648 9.810 -7.569 0.80 0.00 N ATOM 0 H AARG A 14 -6.494 3.300 -3.794 0.20 0.00 H new ATOM 0 H BARG A 14 -6.096 3.359 -3.828 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.375 4.448 -6.525 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.013 4.605 -6.512 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.151 5.635 -3.856 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.638 5.558 -3.970 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.714 5.934 -4.812 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.537 6.316 -5.547 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.588 6.547 -6.669 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.249 5.948 -4.298 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.509 6.905 -5.222 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.204 7.213 -3.683 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.246 8.730 -4.704 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.081 6.869 -6.579 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.743 7.945 -5.145 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.684 8.073 -5.459 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.439 8.649 -7.438 0.20 0.00 H new ATOM 0 HE BARG A 14 -4.970 8.558 -5.445 0.80 0.00 H new ATOM 0 HH11AARG A 14 -3.905 9.678 -5.208 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.408 8.202 -7.977 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.269 10.902 -6.312 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.575 9.293 -9.090 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.617 10.223 -8.853 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.910 9.957 -6.880 0.80 0.00 H new ATOM 0 HH22AARG A 14 -4.234 11.209 -8.368 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.604 10.282 -8.472 0.80 0.00 H new ATOM 345 N AMET A 15 -3.841 4.070 -6.748 0.20 0.00 N ATOM 346 N BMET A 15 -3.454 4.067 -6.744 0.80 0.00 N ATOM 347 CA AMET A 15 -2.515 3.525 -7.019 0.20 0.00 C ATOM 348 CA BMET A 15 -2.203 3.393 -7.071 0.80 0.00 C ATOM 349 C AMET A 15 -1.481 4.641 -7.132 0.20 0.00 C ATOM 350 C BMET A 15 -1.085 4.403 -7.311 0.80 0.00 C ATOM 351 O AMET A 15 -1.805 5.765 -7.516 0.20 0.00 O ATOM 352 O BMET A 15 -1.241 5.339 -8.094 0.80 0.00 O ATOM 353 CB AMET A 15 -2.534 2.700 -8.306 0.20 0.00 C ATOM 354 CB BMET A 15 -2.382 2.510 -8.308 0.80 0.00 C ATOM 355 CG AMET A 15 -2.222 1.228 -8.090 0.20 0.00 C ATOM 356 CG BMET A 15 -1.081 1.924 -8.830 0.80 0.00 C ATOM 357 SD AMET A 15 -1.721 0.394 -9.607 0.20 0.00 S ATOM 358 SD BMET A 15 -1.139 0.127 -8.978 0.80 0.00 S ATOM 359 CE AMET A 15 -0.186 -0.367 -9.085 0.20 0.00 C ATOM 360 CE BMET A 15 0.447 -0.200 -9.744 0.80 0.00 C ATOM 0 H AMET A 15 -4.154 4.773 -7.418 0.20 0.00 H new ATOM 0 H BMET A 15 -3.645 4.898 -7.304 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.237 2.880 -6.186 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.926 2.767 -6.223 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.516 2.790 -8.771 0.20 0.00 H new ATOM 0 HB2BMET A 15 -3.067 1.697 -8.068 0.80 0.00 H new ATOM 0 HB3AMET A 15 -1.810 3.117 -9.006 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.850 3.097 -9.099 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.428 1.134 -7.349 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.857 2.358 -9.804 0.80 0.00 H new ATOM 0 HG3AMET A 15 -3.101 0.731 -7.680 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.267 2.204 -8.161 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.247 -0.922 -9.918 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.561 -1.273 -9.901 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.512 0.406 -8.762 0.20 0.00 H new ATOM 0 HE2BMET A 15 0.501 0.315 -10.703 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.381 -1.049 -8.257 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.246 0.158 -9.094 0.80 0.00 H new ATOM 379 N ASER A 16 -0.235 4.323 -6.792 0.20 0.00 N ATOM 380 N BSER A 16 0.039 4.208 -6.631 0.80 0.00 N ATOM 381 CA ASER A 16 0.847 5.300 -6.850 0.20 0.00 C ATOM 382 CA BSER A 16 1.181 5.105 -6.766 0.80 0.00 C ATOM 383 C ASER A 16 1.714 5.076 -8.084 0.20 0.00 C ATOM 384 C BSER A 16 1.670 5.146 -8.210 0.80 0.00 C ATOM 385 O ASER A 16 2.093 3.945 -8.391 0.20 0.00 O ATOM 386 O BSER A 16 1.265 4.330 -9.039 0.80 0.00 O ATOM 387 CB ASER A 16 1.704 5.218 -5.586 0.20 0.00 C ATOM 388 CB BSER A 16 2.318 4.662 -5.843 0.80 0.00 C ATOM 389 OG ASER A 16 2.026 6.511 -5.105 0.20 0.00 O ATOM 390 OG BSER A 16 2.884 5.769 -5.165 0.80 0.00 O ATOM 0 H ASER A 16 0.050 3.397 -6.474 0.20 0.00 H new ATOM 0 H BSER A 16 0.184 3.436 -5.980 0.80 0.00 H new ATOM 0 HA ASER A 16 0.404 6.294 -6.915 0.20 0.00 H new ATOM 0 HA BSER A 16 0.861 6.107 -6.480 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.169 4.662 -4.816 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.942 3.941 -5.118 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.620 4.667 -5.799 0.20 0.00 H new ATOM 0 HB3BSER A 16 3.088 4.156 -6.426 0.80 0.00 H new ATOM 0 HG ASER A 16 2.573 6.432 -4.296 0.20 0.00 H new ATOM 0 HG BSER A 16 3.607 5.460 -4.580 0.80 0.00 H new ATOM 401 N AARG A 17 2.027 6.160 -8.786 0.20 0.00 N ATOM 402 N BARG A 17 2.544 6.101 -8.506 0.80 0.00 N ATOM 403 CA AARG A 17 2.849 6.083 -9.987 0.20 0.00 C ATOM 404 CA BARG A 17 3.089 6.251 -9.850 0.80 0.00 C ATOM 405 C AARG A 17 4.309 6.381 -9.665 0.20 0.00 C ATOM 406 C BARG A 17 4.605 6.085 -9.844 0.80 0.00 C ATOM 407 O AARG A 17 5.071 6.814 -10.530 0.20 0.00 O ATOM 408 O BARG A 17 5.200 5.684 -10.844 0.80 0.00 O ATOM 409 CB AARG A 17 2.339 7.063 -11.045 0.20 0.00 C ATOM 410 CB BARG A 17 2.717 7.621 -10.425 0.80 0.00 C ATOM 411 CG AARG A 17 2.718 8.508 -10.768 0.20 0.00 C ATOM 412 CG BARG A 17 3.440 7.954 -11.720 0.80 0.00 C ATOM 413 CD AARG A 17 1.743 9.474 -11.423 0.20 0.00 C ATOM 414 CD BARG A 17 2.961 9.275 -12.301 0.80 0.00 C ATOM 415 NE AARG A 17 1.445 9.103 -12.802 0.20 0.00 N ATOM 416 NE BARG A 17 1.513 9.297 -12.486 0.80 0.00 N ATOM 417 CZ AARG A 17 0.492 9.674 -13.529 0.20 0.00 C ATOM 418 CZ BARG A 17 0.847 10.351 -12.946 0.80 0.00 C ATOM 419 NH1AARG A 17 -0.251 10.644 -13.010 0.20 0.00 N ATOM 420 NH1BARG A 17 1.496 11.461 -13.266 0.80 0.00 N ATOM 421 NH2AARG A 17 0.280 9.280 -14.779 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.472 10.295 -13.087 0.80 0.00 N ATOM 0 H AARG A 17 1.723 7.103 -8.543 0.20 0.00 H new ATOM 0 H BARG A 17 2.891 6.784 -7.832 0.80 0.00 H new ATOM 0 HA AARG A 17 2.780 5.068 -10.379 0.20 0.00 H new ATOM 0 HA BARG A 17 2.658 5.471 -10.478 0.80 0.00 H new ATOM 0 HB2AARG A 17 2.735 6.772 -12.018 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.642 7.652 -10.601 0.80 0.00 H new ATOM 0 HB3AARG A 17 1.253 6.986 -11.106 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.942 8.389 -9.685 0.80 0.00 H new ATOM 0 HG2AARG A 17 2.736 8.681 -9.692 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.513 8.004 -11.536 0.80 0.00 H new ATOM 0 HG3AARG A 17 3.725 8.699 -11.138 0.20 0.00 H new ATOM 0 HG3BARG A 17 3.277 7.156 -12.445 0.80 0.00 H new ATOM 0 HD2AARG A 17 0.818 9.500 -10.847 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.255 10.090 -11.639 0.80 0.00 H new ATOM 0 HD3AARG A 17 2.161 10.480 -11.401 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.452 9.449 -13.259 0.80 0.00 H new ATOM 0 HE AARG A 17 2.000 8.363 -13.232 0.20 0.00 H new ATOM 0 HE BARG A 17 0.984 8.458 -12.249 0.80 0.00 H new ATOM 0 HH11AARG A 17 -0.090 10.952 -12.051 0.20 0.00 H new ATOM 0 HH11BARG A 17 2.509 11.508 -13.160 0.80 0.00 H new ATOM 0 HH12AARG A 17 -0.983 11.081 -13.570 0.20 0.00 H new ATOM 0 HH12BARG A 17 0.982 12.268 -13.619 0.80 0.00 H new ATOM 0 HH21AARG A 17 0.850 8.537 -15.183 0.20 0.00 H new ATOM 0 HH21BARG A 17 -0.975 9.442 -12.842 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.453 9.720 -15.335 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.982 11.105 -13.440 0.80 0.00 H new ATOM 449 N AASN A 18 4.696 6.144 -8.415 0.20 0.00 N ATOM 450 N BASN A 18 5.226 6.397 -8.710 0.80 0.00 N ATOM 451 CA AASN A 18 6.065 6.388 -7.978 0.20 0.00 C ATOM 452 CA BASN A 18 6.673 6.284 -8.574 0.80 0.00 C ATOM 453 C AASN A 18 6.526 5.307 -7.004 0.20 0.00 C ATOM 454 C BASN A 18 7.081 4.840 -8.297 0.80 0.00 C ATOM 455 O AASN A 18 7.293 5.576 -6.080 0.20 0.00 O ATOM 456 O BASN A 18 7.953 4.290 -8.970 0.80 0.00 O ATOM 457 CB AASN A 18 6.175 7.765 -7.319 0.20 0.00 C ATOM 458 CB BASN A 18 7.174 7.193 -7.450 0.80 0.00 C ATOM 459 CG AASN A 18 7.613 8.179 -7.081 0.20 0.00 C ATOM 460 CG BASN A 18 8.672 7.417 -7.512 0.80 0.00 C ATOM 461 OD1AASN A 18 8.546 7.443 -7.411 0.20 0.00 O ATOM 462 OD1BASN A 18 9.409 7.005 -6.616 0.80 0.00 O ATOM 463 ND2AASN A 18 7.802 9.361 -6.507 0.20 0.00 N ATOM 464 ND2BASN A 18 9.129 8.074 -8.572 0.80 0.00 N ATOM 0 H AASN A 18 4.080 5.783 -7.687 0.20 0.00 H new ATOM 0 H BASN A 18 4.749 6.730 -7.872 0.80 0.00 H new ATOM 0 HA AASN A 18 6.710 6.361 -8.856 0.20 0.00 H new ATOM 0 HA BASN A 18 7.127 6.598 -9.514 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.686 8.507 -7.950 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.663 8.154 -7.509 0.80 0.00 H new ATOM 0 HB3AASN A 18 5.641 7.754 -6.369 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.915 6.752 -6.487 0.80 0.00 H new ATOM 0 HD21AASN A 18 8.749 9.693 -6.323 0.20 0.00 H new ATOM 0 HD21BASN A 18 10.128 8.256 -8.668 0.80 0.00 H new ATOM 0 HD22AASN A 18 7.001 9.937 -6.250 0.20 0.00 H new ATOM 0 HD22BASN A 18 8.481 8.397 -9.290 0.80 0.00 H new ATOM 477 N ASER A 19 6.053 4.084 -7.219 0.20 0.00 N ATOM 478 N BSER A 19 6.445 4.233 -7.302 0.80 0.00 N ATOM 479 CA ASER A 19 6.414 2.963 -6.359 0.20 0.00 C ATOM 480 CA BSER A 19 6.743 2.853 -6.933 0.80 0.00 C ATOM 481 C ASER A 19 5.804 1.664 -6.878 0.20 0.00 C ATOM 482 C BSER A 19 5.669 1.905 -7.459 0.80 0.00 C ATOM 483 O ASER A 19 6.517 0.767 -7.323 0.20 0.00 O ATOM 484 O BSER A 19 5.930 1.081 -8.335 0.80 0.00 O ATOM 485 CB ASER A 19 5.949 3.222 -4.926 0.20 0.00 C ATOM 486 CB BSER A 19 6.854 2.722 -5.411 0.80 0.00 C ATOM 487 OG ASER A 19 7.051 3.466 -4.068 0.20 0.00 O ATOM 488 OG BSER A 19 5.677 3.184 -4.773 0.80 0.00 O ATOM 0 H ASER A 19 5.419 3.844 -7.981 0.20 0.00 H new ATOM 0 H BSER A 19 5.720 4.674 -6.736 0.80 0.00 H new ATOM 0 HA ASER A 19 7.499 2.864 -6.368 0.20 0.00 H new ATOM 0 HA BSER A 19 7.697 2.580 -7.385 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.274 4.078 -4.908 0.20 0.00 H new ATOM 0 HB2BSER A 19 7.031 1.680 -5.144 0.80 0.00 H new ATOM 0 HB3ASER A 19 5.384 2.363 -4.563 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.712 3.292 -5.055 0.80 0.00 H new ATOM 0 HG ASER A 19 7.553 4.243 -4.393 0.20 0.00 H new ATOM 0 HG BSER A 19 5.772 3.088 -3.802 0.80 0.00 H new ATOM 499 N AGLY A 20 4.480 1.573 -6.814 0.20 0.00 N ATOM 500 N BGLY A 20 4.462 2.028 -6.916 0.80 0.00 N ATOM 501 CA AGLY A 20 3.795 0.380 -7.278 0.20 0.00 C ATOM 502 CA BGLY A 20 3.368 1.176 -7.343 0.80 0.00 C ATOM 503 C AGLY A 20 2.787 -0.139 -6.272 0.20 0.00 C ATOM 504 C BGLY A 20 2.690 0.476 -6.182 0.80 0.00 C ATOM 505 O AGLY A 20 1.788 -0.755 -6.645 0.20 0.00 O ATOM 506 O BGLY A 20 2.197 -0.641 -6.324 0.80 0.00 O ATOM 0 H AGLY A 20 3.869 2.304 -6.449 0.20 0.00 H new ATOM 0 H BGLY A 20 4.222 2.702 -6.189 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.287 0.599 -8.217 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.633 1.776 -7.881 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.529 -0.398 -7.487 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.745 0.430 -8.043 0.80 0.00 H new ATOM 513 N AARG A 21 3.048 0.110 -4.993 0.20 0.00 N ATOM 514 N BARG A 21 2.666 1.137 -5.028 0.80 0.00 N ATOM 515 CA AARG A 21 2.156 -0.339 -3.930 0.20 0.00 C ATOM 516 CA BARG A 21 2.048 0.570 -3.836 0.80 0.00 C ATOM 517 C AARG A 21 0.735 0.159 -4.167 0.20 0.00 C ATOM 518 C BARG A 21 0.574 0.960 -3.752 0.80 0.00 C ATOM 519 O AARG A 21 0.470 0.879 -5.129 0.20 0.00 O ATOM 520 O BARG A 21 0.234 2.142 -3.729 0.80 0.00 O ATOM 521 CB AARG A 21 2.660 0.150 -2.571 0.20 0.00 C ATOM 522 CB BARG A 21 2.783 1.042 -2.580 0.80 0.00 C ATOM 523 CG AARG A 21 4.098 -0.243 -2.277 0.20 0.00 C ATOM 524 CG BARG A 21 3.711 -0.006 -1.989 0.80 0.00 C ATOM 525 CD AARG A 21 4.637 0.485 -1.056 0.20 0.00 C ATOM 526 CD BARG A 21 4.926 0.631 -1.333 0.80 0.00 C ATOM 527 NE AARG A 21 3.680 0.484 0.048 0.20 0.00 N ATOM 528 NE BARG A 21 4.552 1.636 -0.344 0.80 0.00 N ATOM 529 CZ AARG A 21 3.735 1.335 1.068 0.20 0.00 C ATOM 530 CZ BARG A 21 5.359 2.048 0.627 0.80 0.00 C ATOM 531 NH1AARG A 21 4.694 2.250 1.122 0.20 0.00 N ATOM 532 NH1BARG A 21 6.581 1.543 0.738 0.80 0.00 N ATOM 533 NH2AARG A 21 2.829 1.270 2.035 0.20 0.00 N ATOM 534 NH2BARG A 21 4.945 2.967 1.490 0.80 0.00 N ATOM 0 H AARG A 21 3.869 0.620 -4.668 0.20 0.00 H new ATOM 0 H BARG A 21 3.067 2.065 -4.894 0.80 0.00 H new ATOM 0 HA AARG A 21 2.146 -1.429 -3.935 0.20 0.00 H new ATOM 0 HA BARG A 21 2.117 -0.516 -3.902 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.574 1.236 -2.530 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.362 1.933 -2.821 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.016 -0.251 -1.788 0.20 0.00 H new ATOM 0 HB3BARG A 21 2.050 1.332 -1.827 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.156 -1.319 -2.115 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.169 -0.600 -1.253 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.722 -0.017 -3.142 0.20 0.00 H new ATOM 0 HG3BARG A 21 4.036 -0.689 -2.773 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.564 0.013 -0.732 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.526 -0.143 -0.854 0.80 0.00 H new ATOM 0 HD3AARG A 21 4.880 1.513 -1.325 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.551 1.091 -2.098 0.80 0.00 H new ATOM 0 HE AARG A 21 2.929 -0.207 0.036 0.20 0.00 H new ATOM 0 HE BARG A 21 3.619 2.045 -0.401 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.392 2.302 0.380 0.20 0.00 H new ATOM 0 HH11BARG A 21 6.903 0.836 0.077 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.734 2.902 1.906 0.20 0.00 H new ATOM 0 HH12BARG A 21 7.199 1.861 1.485 0.80 0.00 H new ATOM 0 HH21AARG A 21 2.091 0.567 1.996 0.20 0.00 H new ATOM 0 HH21BARG A 21 4.006 3.358 1.408 0.80 0.00 H new ATOM 0 HH22AARG A 21 2.871 1.923 2.818 0.20 0.00 H new ATOM 0 HH22BARG A 21 5.565 3.283 2.235 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.179 -0.230 -3.281 0.20 0.00 N ATOM 562 N BVAL A 22 -0.296 -0.044 -3.706 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.575 0.176 -3.394 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.733 0.192 -3.623 0.80 0.00 C ATOM 565 C AVAL A 22 -2.112 0.670 -2.055 0.20 0.00 C ATOM 566 C BVAL A 22 -2.142 0.606 -2.215 0.80 0.00 C ATOM 567 O AVAL A 22 -2.425 -0.125 -1.170 0.20 0.00 O ATOM 568 O BVAL A 22 -1.616 0.087 -1.227 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.459 -0.980 -3.895 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.531 -1.059 -4.032 0.80 0.00 C ATOM 571 CG1AVAL A 22 -3.835 -0.468 -4.292 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.018 -0.845 -3.794 0.80 0.00 C ATOM 573 CG2AVAL A 22 -1.790 -1.694 -5.062 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.262 -1.411 -5.488 0.80 0.00 C ATOM 0 H AVAL A 22 0.023 -0.825 -2.478 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.031 -1.029 -3.725 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.610 0.989 -4.120 0.20 0.00 H new ATOM 0 HA BVAL A 22 -1.961 1.002 -4.316 0.80 0.00 H new ATOM 0 HB AVAL A 22 -2.585 -1.696 -3.083 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.204 -1.895 -3.413 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -4.445 -1.300 -4.644 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.566 -1.740 -4.089 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -4.314 -0.006 -3.429 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.192 -0.645 -2.737 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -3.733 0.269 -5.088 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.363 0.003 -4.386 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.428 -2.509 -5.404 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -2.834 -2.298 -5.760 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.633 -0.989 -5.878 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.560 -0.578 -6.125 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -0.829 -2.096 -4.740 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.199 -1.610 -5.624 0.80 0.00 H new ATOM 593 N ATYR A 23 -2.217 1.986 -1.915 0.20 0.00 N ATOM 594 N BTYR A 23 -3.081 1.540 -2.128 0.80 0.00 N ATOM 595 CA ATYR A 23 -2.715 2.586 -0.683 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.559 2.024 -0.838 0.80 0.00 C ATOM 597 C ATYR A 23 -4.199 2.919 -0.800 0.20 0.00 C ATOM 598 C BTYR A 23 -5.000 2.518 -0.942 0.80 0.00 C ATOM 599 O ATYR A 23 -4.776 2.867 -1.888 0.20 0.00 O ATOM 600 O BTYR A 23 -5.611 2.461 -2.009 0.80 0.00 O ATOM 601 CB ATYR A 23 -1.923 3.852 -0.351 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.658 3.150 -0.326 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.041 4.934 -1.403 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.605 4.348 -1.247 0.80 0.00 C ATOM 605 CD1ATYR A 23 -1.032 5.132 -2.337 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.697 4.400 -2.298 0.80 0.00 C ATOM 607 CD2ATYR A 23 -3.157 5.757 -1.460 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.460 5.428 -1.065 0.80 0.00 C ATOM 609 CE1ATYR A 23 -1.134 6.118 -3.299 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.643 5.493 -3.140 0.80 0.00 C ATOM 611 CE2ATYR A 23 -3.269 6.745 -2.418 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.414 6.525 -1.905 0.80 0.00 C ATOM 613 CZ ATYR A 23 -2.254 6.922 -3.335 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.503 6.553 -2.942 0.80 0.00 C ATOM 615 OH ATYR A 23 -2.361 7.906 -4.291 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.455 7.643 -3.778 0.80 0.00 O ATOM 0 H ATYR A 23 -1.964 2.658 -2.639 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.527 1.977 -2.935 0.80 0.00 H new ATOM 0 HA ATYR A 23 -2.585 1.862 0.121 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.528 1.194 -0.133 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -2.269 4.247 0.604 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -3.012 3.471 0.654 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -0.872 3.591 -0.227 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.648 2.763 -0.189 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -0.153 4.505 -2.311 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -1.023 3.572 -2.459 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -3.952 5.622 -0.742 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.173 5.410 -0.254 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -0.341 6.259 -4.019 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -0.930 5.518 -3.951 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -4.146 7.375 -2.449 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.087 7.356 -1.751 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.878 7.632 -5.098 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.128 8.299 -3.500 0.80 0.00 H new ATOM 635 N ATYR A 24 -4.814 3.261 0.326 0.20 0.00 N ATOM 636 N BTYR A 24 -5.534 3.001 0.174 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.231 3.600 0.352 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.904 3.502 0.211 0.80 0.00 C ATOM 639 C ATYR A 24 -6.434 5.069 0.712 0.20 0.00 C ATOM 640 C BTYR A 24 -6.950 4.919 0.777 0.80 0.00 C ATOM 641 O ATYR A 24 -5.868 5.565 1.686 0.20 0.00 O ATOM 642 O BTYR A 24 -6.209 5.255 1.701 0.80 0.00 O ATOM 643 CB ATYR A 24 -6.972 2.712 1.354 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.787 2.577 1.050 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.288 1.333 0.821 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.524 1.108 0.809 0.80 0.00 C ATOM 647 CD1ATYR A 24 -8.104 1.168 -0.292 0.20 0.00 C ATOM 648 CD1BTYR A 24 -8.172 0.424 -0.212 0.80 0.00 C ATOM 649 CD2ATYR A 24 -6.773 0.197 1.431 0.20 0.00 C ATOM 650 CD2BTYR A 24 -6.628 0.403 1.604 0.80 0.00 C ATOM 651 CE1ATYR A 24 -8.397 -0.090 -0.783 0.20 0.00 C ATOM 652 CE1BTYR A 24 -7.937 -0.917 -0.436 0.80 0.00 C ATOM 653 CE2ATYR A 24 -7.059 -1.067 0.946 0.20 0.00 C ATOM 654 CE2BTYR A 24 -6.385 -0.940 1.386 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.873 -1.204 -0.161 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.041 -1.597 0.366 0.80 0.00 C ATOM 657 OH ATYR A 24 -8.161 -2.459 -0.644 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.803 -2.934 0.147 0.80 0.00 O ATOM 0 H ATYR A 24 -4.352 3.311 1.234 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.040 3.057 1.065 0.80 0.00 H new ATOM 0 HA ATYR A 24 -6.637 3.429 -0.645 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.283 3.525 -0.811 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -6.368 2.614 2.256 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.630 2.797 2.106 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -7.901 3.202 1.644 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.833 2.791 0.832 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -8.516 2.038 -0.782 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -8.873 0.952 -0.842 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -6.138 0.302 2.299 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -6.113 0.913 2.405 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -9.033 -0.200 -1.649 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -8.451 -1.432 -1.234 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -6.648 -1.941 1.430 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -5.684 -1.473 2.012 0.80 0.00 H new ATOM 0 HH ATYR A 24 -7.712 -3.133 -0.092 0.20 0.00 H new ATOM 0 HH BTYR A 24 -6.146 -3.260 0.797 0.80 0.00 H new ATOM 677 N APHE A 25 -7.245 5.760 -0.082 0.20 0.00 N ATOM 678 N BPHE A 25 -7.825 5.745 0.213 0.80 0.00 N ATOM 679 CA APHE A 25 -7.523 7.172 0.150 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.969 7.126 0.661 0.80 0.00 C ATOM 681 C APHE A 25 -8.955 7.372 0.641 0.20 0.00 C ATOM 682 C BPHE A 25 -9.440 7.525 0.723 0.80 0.00 C ATOM 683 O APHE A 25 -9.874 6.679 0.204 0.20 0.00 O ATOM 684 O BPHE A 25 -10.225 7.189 -0.160 0.80 0.00 O ATOM 685 CB APHE A 25 -7.295 7.976 -1.130 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.212 8.069 -0.276 0.80 0.00 C ATOM 687 CG APHE A 25 -7.332 9.463 -0.919 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.517 9.520 -0.043 0.80 0.00 C ATOM 689 CD1APHE A 25 -6.441 10.076 -0.053 0.20 0.00 C ATOM 690 CD1BPHE A 25 -6.790 10.254 0.881 0.80 0.00 C ATOM 691 CD2APHE A 25 -8.258 10.249 -1.587 0.20 0.00 C ATOM 692 CD2BPHE A 25 -8.533 10.151 -0.743 0.80 0.00 C ATOM 693 CE1APHE A 25 -6.472 11.443 0.144 0.20 0.00 C ATOM 694 CE1BPHE A 25 -7.068 11.591 1.099 0.80 0.00 C ATOM 695 CE2APHE A 25 -8.293 11.616 -1.395 0.20 0.00 C ATOM 696 CE2BPHE A 25 -8.816 11.486 -0.528 0.80 0.00 C ATOM 697 CZ APHE A 25 -7.400 12.216 -0.527 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.084 12.207 0.394 0.80 0.00 C ATOM 0 H APHE A 25 -7.722 5.364 -0.892 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.444 5.483 -0.554 0.80 0.00 H new ATOM 0 HA APHE A 25 -6.840 7.528 0.921 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.546 7.204 1.663 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.330 7.701 -1.555 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.141 7.907 -0.153 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.055 7.702 -1.862 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.456 7.816 -1.308 0.80 0.00 H new ATOM 0 HD1APHE A 25 -5.713 9.478 0.475 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -5.997 9.776 1.437 0.80 0.00 H new ATOM 0 HD2APHE A 25 -8.960 9.787 -2.265 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -9.110 9.593 -1.465 0.80 0.00 H new ATOM 0 HE1APHE A 25 -5.771 11.907 0.822 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -6.492 12.153 1.819 0.80 0.00 H new ATOM 0 HE2APHE A 25 -9.019 12.217 -1.923 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -9.610 11.966 -1.081 0.80 0.00 H new ATOM 0 HZ APHE A 25 -7.428 13.285 -0.374 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.305 13.250 0.564 0.80 0.00 H new ATOM 717 N AASN A 26 -9.133 8.322 1.553 0.20 0.00 N ATOM 718 N BASN A 26 -9.805 8.249 1.778 0.80 0.00 N ATOM 719 CA AASN A 26 -10.453 8.612 2.105 0.20 0.00 C ATOM 720 CA BASN A 26 -11.183 8.695 1.958 0.80 0.00 C ATOM 721 C AASN A 26 -10.885 10.033 1.763 0.20 0.00 C ATOM 722 C BASN A 26 -11.338 10.155 1.547 0.80 0.00 C ATOM 723 O AASN A 26 -10.306 11.004 2.251 0.20 0.00 O ATOM 724 O BASN A 26 -10.597 11.024 2.010 0.80 0.00 O ATOM 725 CB AASN A 26 -10.447 8.418 3.624 0.20 0.00 C ATOM 726 CB BASN A 26 -11.612 8.514 3.416 0.80 0.00 C ATOM 727 CG AASN A 26 -11.846 8.391 4.208 0.20 0.00 C ATOM 728 CG BASN A 26 -13.120 8.472 3.572 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.384 9.422 4.609 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.845 9.212 2.909 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.442 7.205 4.258 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.598 7.601 4.454 0.80 0.00 N ATOM 0 H AASN A 26 -8.382 8.903 1.925 0.20 0.00 H new ATOM 0 H BASN A 26 -9.167 8.539 2.519 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.167 7.919 1.660 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.824 8.087 1.320 0.80 0.00 H new ATOM 0 HB2AASN A 26 -9.937 7.486 3.867 0.20 0.00 H new ATOM 0 HB2BASN A 26 -11.183 7.591 3.807 0.80 0.00 H new ATOM 0 HB3AASN A 26 -9.878 9.223 4.088 0.20 0.00 H new ATOM 0 HB3BASN A 26 -11.210 9.331 4.015 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.384 7.123 4.641 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.604 7.526 4.603 0.80 0.00 H new ATOM 0 HD22AASN A 26 -11.958 6.376 3.914 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.959 7.007 4.982 0.80 0.00 H new ATOM 745 N AHIS A 27 -11.906 10.149 0.919 0.20 0.00 N ATOM 746 N BHIS A 27 -12.308 10.420 0.679 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.417 11.453 0.511 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.564 11.778 0.209 0.80 0.00 C ATOM 749 C AHIS A 27 -13.572 11.889 1.410 0.20 0.00 C ATOM 750 C BHIS A 27 -13.399 12.556 1.219 0.80 0.00 C ATOM 751 O AHIS A 27 -14.496 12.567 0.962 0.20 0.00 O ATOM 752 O BHIS A 27 -13.459 13.785 1.174 0.80 0.00 O ATOM 753 CB AHIS A 27 -12.876 11.411 -0.946 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.280 11.743 -1.143 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.161 10.667 -1.147 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.504 10.881 -1.152 0.80 0.00 C ATOM 757 ND1AHIS A 27 -14.746 9.696 -0.411 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.734 11.316 -0.706 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.001 10.894 -2.218 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.683 9.601 -1.557 0.80 0.00 C ATOM 761 CE1AHIS A 27 -15.917 9.355 -1.039 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.616 10.341 -0.836 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.048 10.092 -2.127 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -16.003 9.291 -1.350 0.80 0.00 N ATOM 0 H AHIS A 27 -12.395 9.356 0.505 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.930 9.713 0.286 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.610 12.179 0.608 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.605 12.283 0.093 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -12.995 12.431 -1.311 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.559 12.759 -1.423 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.098 10.946 -1.551 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.586 11.382 -1.903 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.830 11.613 -3.006 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.928 8.947 -1.966 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.617 8.606 -0.699 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.661 10.394 -0.567 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.826 10.050 -2.786 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.440 8.394 -1.559 0.80 0.00 H new ATOM 779 N AILE A 28 -13.511 11.494 2.678 0.20 0.00 N ATOM 780 N BILE A 28 -14.042 11.833 2.130 0.80 0.00 N ATOM 781 CA AILE A 28 -14.550 11.843 3.637 0.20 0.00 C ATOM 782 CA BILE A 28 -14.873 12.457 3.153 0.80 0.00 C ATOM 783 C AILE A 28 -13.957 12.533 4.863 0.20 0.00 C ATOM 784 C BILE A 28 -14.033 12.912 4.341 0.80 0.00 C ATOM 785 O AILE A 28 -14.479 13.545 5.331 0.20 0.00 O ATOM 786 O BILE A 28 -14.188 14.028 4.836 0.80 0.00 O ATOM 787 CB AILE A 28 -15.338 10.601 4.091 0.20 0.00 C ATOM 788 CB BILE A 28 -15.969 11.497 3.651 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.088 9.987 2.909 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.911 11.124 2.505 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.306 10.967 5.206 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.745 12.128 4.798 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.105 10.918 2.286 0.20 0.00 C ATOM 794 CD1BILE A 28 -18.026 10.189 2.917 0.80 0.00 C ATOM 0 H AILE A 28 -12.752 10.932 3.064 0.20 0.00 H new ATOM 0 H BILE A 28 -14.004 10.815 2.181 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.230 12.528 3.131 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.344 13.324 2.691 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.634 9.862 4.475 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.494 10.586 4.017 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.367 9.689 2.148 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.346 12.034 2.092 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.594 9.081 3.242 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.333 10.657 1.708 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.856 10.079 5.517 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.516 11.437 5.139 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.750 11.365 6.055 0.20 0.00 H new ATOM 0 HG22BILE A 28 -16.064 12.347 5.621 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.007 11.720 4.847 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.211 13.052 4.457 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.598 10.415 1.454 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.654 9.968 2.054 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.848 11.197 3.033 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.600 9.263 3.302 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.603 11.814 1.922 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.629 10.661 3.693 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.865 11.977 5.377 0.20 0.00 N ATOM 818 N BTHR A 29 -13.139 12.038 4.796 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.201 12.537 6.546 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.274 12.349 5.926 0.80 0.00 C ATOM 821 C ATHR A 29 -10.762 12.929 6.227 0.20 0.00 C ATOM 822 C BTHR A 29 -10.936 12.909 5.457 0.80 0.00 C ATOM 823 O ATHR A 29 -9.915 12.989 7.116 0.20 0.00 O ATOM 824 O BTHR A 29 -10.231 13.575 6.213 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.201 11.542 7.722 0.20 0.00 C ATOM 826 CB BTHR A 29 -12.019 11.106 6.798 0.80 0.00 C ATOM 827 OG1ATHR A 29 -13.204 10.539 7.516 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.162 10.190 6.107 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.459 12.259 9.039 0.20 0.00 C ATOM 830 CG2BTHR A 29 -13.326 10.413 7.150 0.80 0.00 C ATOM 0 H ATHR A 29 -12.422 11.139 5.001 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.996 11.110 4.398 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.762 13.427 6.832 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.792 13.101 6.521 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.219 11.071 7.769 0.20 0.00 H new ATOM 0 HB BTHR A 29 -11.538 11.431 7.720 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -13.196 9.910 8.267 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.003 9.403 6.669 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.454 11.535 9.854 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -13.119 9.538 7.766 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.679 13.001 9.208 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -13.966 11.102 7.701 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.429 12.755 8.999 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.831 10.102 6.235 0.80 0.00 H new ATOM 845 N AASN A 30 -10.495 13.194 4.953 0.20 0.00 N ATOM 846 N BASN A 30 -10.592 12.635 4.202 0.80 0.00 N ATOM 847 CA AASN A 30 -9.158 13.582 4.517 0.20 0.00 C ATOM 848 CA BASN A 30 -9.338 13.111 3.631 0.80 0.00 C ATOM 849 C AASN A 30 -8.106 12.635 5.086 0.20 0.00 C ATOM 850 C BASN A 30 -8.142 12.500 4.356 0.80 0.00 C ATOM 851 O AASN A 30 -6.965 13.031 5.325 0.20 0.00 O ATOM 852 O BASN A 30 -7.369 13.205 5.001 0.80 0.00 O ATOM 853 CB AASN A 30 -8.855 15.019 4.947 0.20 0.00 C ATOM 854 CB BASN A 30 -9.267 14.638 3.706 0.80 0.00 C ATOM 855 CG AASN A 30 -8.442 15.894 3.781 0.20 0.00 C ATOM 856 CG BASN A 30 -8.281 15.222 2.712 0.80 0.00 C ATOM 857 OD1AASN A 30 -9.106 16.881 3.465 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.671 15.893 1.757 0.80 0.00 O ATOM 859 ND2AASN A 30 -7.339 15.537 3.133 0.20 0.00 N ATOM 860 ND2BASN A 30 -6.998 14.965 2.934 0.80 0.00 N ATOM 0 H AASN A 30 -11.186 13.147 4.204 0.20 0.00 H new ATOM 0 H BASN A 30 -11.165 12.086 3.562 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.125 13.522 3.429 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.304 12.802 2.586 0.80 0.00 H new ATOM 0 HB2AASN A 30 -9.737 15.446 5.424 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.257 15.054 3.519 0.80 0.00 H new ATOM 0 HB3AASN A 30 -8.060 15.013 5.693 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.981 14.936 4.715 0.80 0.00 H new ATOM 0 HD21AASN A 30 -7.012 16.089 2.340 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.288 15.329 2.299 0.80 0.00 H new ATOM 0 HD22AASN A 30 -6.819 14.711 3.429 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.722 14.403 3.740 0.80 0.00 H new ATOM 873 N AALA A 31 -8.497 11.384 5.303 0.20 0.00 N ATOM 874 N BALA A 31 -8.001 11.184 4.244 0.80 0.00 N ATOM 875 CA AALA A 31 -7.589 10.381 5.843 0.20 0.00 C ATOM 876 CA BALA A 31 -6.899 10.476 4.885 0.80 0.00 C ATOM 877 C AALA A 31 -7.078 9.454 4.742 0.20 0.00 C ATOM 878 C BALA A 31 -6.555 9.196 4.133 0.80 0.00 C ATOM 879 O AALA A 31 -7.658 9.384 3.659 0.20 0.00 O ATOM 880 O BALA A 31 -7.395 8.634 3.431 0.80 0.00 O ATOM 881 CB AALA A 31 -8.278 9.577 6.935 0.20 0.00 C ATOM 882 CB BALA A 31 -7.247 10.161 6.334 0.80 0.00 C ATOM 0 H AALA A 31 -9.438 11.041 5.113 0.20 0.00 H new ATOM 0 H BALA A 31 -8.636 10.586 3.715 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.732 10.898 6.275 0.20 0.00 H new ATOM 0 HA BALA A 31 -6.023 11.124 4.864 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.587 8.832 7.329 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.416 9.632 6.801 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.588 10.245 7.739 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.435 11.089 6.873 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.154 9.077 6.521 0.20 0.00 H new ATOM 0 HB3BALA A 31 -8.139 9.535 6.366 0.80 0.00 H new ATOM 893 N ASER A 32 -5.991 8.746 5.029 0.20 0.00 N ATOM 894 N BSER A 32 -5.315 8.742 4.282 0.80 0.00 N ATOM 895 CA ASER A 32 -5.400 7.828 4.062 0.20 0.00 C ATOM 896 CA BSER A 32 -4.858 7.533 3.610 0.80 0.00 C ATOM 897 C ASER A 32 -4.425 6.874 4.747 0.20 0.00 C ATOM 898 C BSER A 32 -4.513 6.446 4.625 0.80 0.00 C ATOM 899 O ASER A 32 -3.456 7.303 5.371 0.20 0.00 O ATOM 900 O BSER A 32 -4.057 6.738 5.730 0.80 0.00 O ATOM 901 CB ASER A 32 -4.681 8.607 2.960 0.20 0.00 C ATOM 902 CB BSER A 32 -3.639 7.834 2.737 0.80 0.00 C ATOM 903 OG ASER A 32 -4.665 7.876 1.745 0.20 0.00 O ATOM 904 OG BSER A 32 -3.516 6.893 1.686 0.80 0.00 O ATOM 0 H ASER A 32 -5.502 8.790 5.923 0.20 0.00 H new ATOM 0 H BSER A 32 -4.609 9.194 4.863 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.203 7.242 3.616 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.668 7.173 2.976 0.80 0.00 H new ATOM 0 HB2ASER A 32 -5.177 9.565 2.805 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.725 8.838 2.321 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.659 8.824 3.271 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.737 7.819 3.349 0.80 0.00 H new ATOM 0 HG ASER A 32 -4.975 6.961 1.910 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.328 6.347 1.639 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.690 5.577 4.621 0.20 0.00 N ATOM 916 N BGLN A 33 -4.735 5.193 4.241 0.80 0.00 N ATOM 917 CA AGLN A 33 -3.837 4.561 5.227 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.450 4.063 5.117 0.80 0.00 C ATOM 919 C AGLN A 33 -3.610 3.398 4.267 0.20 0.00 C ATOM 920 C BGLN A 33 -4.051 2.834 4.307 0.80 0.00 C ATOM 921 O AGLN A 33 -4.386 3.188 3.336 0.20 0.00 O ATOM 922 O BGLN A 33 -4.716 2.475 3.336 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.460 4.051 6.528 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.668 3.744 5.986 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.920 3.655 6.388 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.437 2.597 6.956 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.523 3.175 7.692 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.608 2.384 7.896 0.80 0.00 C ATOM 929 OE1AGLN A 33 -7.203 3.928 8.389 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.811 3.151 8.839 0.80 0.00 O ATOM 931 NE2AGLN A 33 -6.275 1.916 8.032 0.20 0.00 N ATOM 932 NE2BGLN A 33 -7.386 1.338 7.644 0.80 0.00 N ATOM 0 H AGLN A 33 -5.488 5.206 4.105 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.111 4.935 3.329 0.80 0.00 H new ATOM 0 HA AGLN A 33 -2.873 5.018 5.450 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.615 4.337 5.762 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -3.891 3.191 6.881 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.946 4.635 6.549 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.374 4.825 7.291 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.511 3.499 5.340 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.490 4.509 6.021 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -5.256 1.681 6.393 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.008 2.867 5.640 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.538 2.795 7.540 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -5.706 1.326 7.425 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -7.181 0.729 6.852 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -6.653 1.538 8.901 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -8.189 1.144 8.242 0.80 0.00 H new ATOM 949 N APHE A 34 -2.539 2.645 4.499 0.20 0.00 N ATOM 950 N BPHE A 34 -2.960 2.192 4.714 0.80 0.00 N ATOM 951 CA APHE A 34 -2.208 1.505 3.654 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.472 1.002 4.027 0.80 0.00 C ATOM 953 C APHE A 34 -2.964 0.257 4.106 0.20 0.00 C ATOM 954 C BPHE A 34 -3.263 -0.232 4.446 0.80 0.00 C ATOM 955 O APHE A 34 -3.300 -0.605 3.295 0.20 0.00 O ATOM 956 O BPHE A 34 -3.469 -1.149 3.650 0.80 0.00 O ATOM 957 CB APHE A 34 -0.701 1.240 3.682 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.985 0.793 4.317 0.80 0.00 C ATOM 959 CG APHE A 34 0.126 2.484 3.525 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.108 1.885 3.775 0.80 0.00 C ATOM 961 CD1APHE A 34 0.758 3.053 4.618 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.657 2.665 4.628 0.80 0.00 C ATOM 963 CD2APHE A 34 0.273 3.082 2.284 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.049 2.131 2.413 0.80 0.00 C ATOM 965 CE1APHE A 34 1.522 4.197 4.477 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.465 3.671 4.132 0.80 0.00 C ATOM 967 CE2APHE A 34 1.036 4.226 2.137 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.760 3.134 1.912 0.80 0.00 C ATOM 969 CZ APHE A 34 1.660 4.785 3.234 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.516 3.907 2.772 0.80 0.00 C ATOM 0 H APHE A 34 -1.886 2.805 5.266 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.398 2.476 5.516 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.508 1.742 2.633 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.608 1.151 2.956 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.442 0.757 4.624 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.840 0.723 5.395 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.448 0.541 2.885 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.671 -0.160 3.891 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.653 2.598 5.592 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.621 2.485 5.692 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.214 2.650 1.422 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.641 1.533 1.736 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.010 4.630 5.337 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.056 4.272 4.807 0.80 0.00 H new ATOM 0 HE2APHE A 34 1.144 4.682 1.164 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.801 3.313 0.848 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.255 5.680 3.121 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.145 4.694 2.382 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.224 0.169 5.407 0.20 0.00 N ATOM 990 N BGLU A 35 -3.704 -0.247 5.701 0.80 0.00 N ATOM 991 CA AGLU A 35 -3.937 -0.974 5.967 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.471 -1.370 6.226 0.80 0.00 C ATOM 993 C AGLU A 35 -5.431 -0.880 5.673 0.20 0.00 C ATOM 994 C BGLU A 35 -5.879 -1.390 5.638 0.80 0.00 C ATOM 995 O AGLU A 35 -6.058 0.153 5.907 0.20 0.00 O ATOM 996 O BGLU A 35 -6.541 -0.356 5.552 0.80 0.00 O ATOM 997 CB AGLU A 35 -3.709 -1.053 7.478 0.20 0.00 C ATOM 998 CB BGLU A 35 -4.545 -1.297 7.753 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.592 -2.078 8.173 0.20 0.00 C ATOM 1000 CG BGLU A 35 -3.184 -1.317 8.429 0.80 0.00 C ATOM 1001 CD AGLU A 35 -4.294 -2.194 9.656 0.20 0.00 C ATOM 1002 CD BGLU A 35 -3.086 -2.375 9.510 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -5.125 -2.776 10.383 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -4.124 -2.687 10.130 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -3.229 -1.703 10.088 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -1.971 -2.892 9.736 0.80 0.00 O ATOM 0 H AGLU A 35 -2.952 0.874 6.092 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.543 0.505 6.371 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.548 -1.878 5.499 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.963 -2.290 5.938 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -2.664 -1.298 7.667 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -5.071 -0.386 8.040 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -3.891 -0.072 7.917 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -5.136 -2.136 8.120 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.638 -1.803 8.037 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -2.413 -1.496 7.680 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -4.454 -3.051 7.701 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.984 -0.338 8.865 0.80 0.00 H new ATOM 1019 N AARG A 36 -5.996 -1.966 5.154 0.20 0.00 N ATOM 1020 N BARG A 36 -6.329 -2.574 5.236 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.415 -2.008 4.823 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.658 -2.728 4.654 0.80 0.00 C ATOM 1023 C AARG A 36 -8.269 -1.949 6.086 0.20 0.00 C ATOM 1024 C BARG A 36 -8.730 -2.201 5.601 0.80 0.00 C ATOM 1025 O AARG A 36 -8.144 -2.779 6.988 0.20 0.00 O ATOM 1026 O BARG A 36 -8.995 -2.772 6.659 0.80 0.00 O ATOM 1027 CB AARG A 36 -7.740 -3.275 4.032 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.927 -4.199 4.329 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.194 -3.370 3.604 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.285 -4.443 3.691 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.706 -4.800 3.677 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.717 -5.893 3.835 0.80 0.00 C ATOM 1033 NE AARG A 36 -9.782 -5.286 5.052 0.20 0.00 N ATOM 1034 NE BARG A 36 -10.888 -6.032 4.696 0.80 0.00 N ATOM 1035 CZ AARG A 36 -10.541 -6.306 5.432 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.226 -7.167 5.300 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.286 -6.948 4.543 0.20 0.00 N ATOM 1038 NH1BARG A 36 -10.484 -8.255 5.138 0.80 0.00 N ATOM 1039 NH2AARG A 36 -10.555 -6.688 6.703 0.20 0.00 N ATOM 1040 NH2BARG A 36 -12.306 -7.215 6.068 0.80 0.00 N ATOM 0 H AARG A 36 -5.491 -2.829 4.954 0.20 0.00 H new ATOM 0 H BARG A 36 -5.794 -3.440 5.302 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.645 -1.138 4.209 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.694 -2.146 3.733 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.106 -3.312 3.146 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.149 -4.562 3.658 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.491 -4.146 4.639 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.855 -4.784 5.246 0.80 0.00 H new ATOM 0 HG2AARG A 36 -9.804 -2.731 4.242 0.20 0.00 H new ATOM 0 HG2BARG A 36 -10.028 -3.794 4.154 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.299 -2.997 2.585 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.245 -4.178 2.635 0.80 0.00 H new ATOM 0 HD2AARG A 36 -10.693 -4.855 3.218 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.940 -6.304 2.851 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.049 -5.450 3.099 0.20 0.00 H new ATOM 0 HD3BARG A 36 -8.894 -6.478 4.246 0.80 0.00 H new ATOM 0 HE AARG A 36 -9.220 -4.815 5.761 0.20 0.00 H new ATOM 0 HE BARG A 36 -11.479 -5.214 4.842 0.80 0.00 H new ATOM 0 HH11AARG A 36 -11.276 -6.658 3.565 0.20 0.00 H new ATOM 0 HH11BARG A 36 -9.652 -8.222 4.549 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.869 -7.732 4.837 0.20 0.00 H new ATOM 0 HH12BARG A 36 -10.746 -9.125 5.603 0.80 0.00 H new ATOM 0 HH21AARG A 36 -9.982 -6.197 7.389 0.20 0.00 H new ATOM 0 HH21BARG A 36 -12.878 -6.380 6.196 0.80 0.00 H new ATOM 0 HH22AARG A 36 -11.139 -7.472 6.993 0.20 0.00 H new ATOM 0 HH22BARG A 36 -12.564 -8.086 6.531 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.156 -0.946 6.155 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.363 -1.083 5.215 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.049 -0.756 7.304 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.416 -0.453 6.016 0.80 0.00 C ATOM 1071 C APRO A 37 -11.118 -1.839 7.393 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.695 -1.283 6.047 0.80 0.00 C ATOM 1073 O APRO A 37 -11.280 -2.642 6.474 0.20 0.00 O ATOM 1074 O BPRO A 37 -12.314 -1.526 5.011 0.80 0.00 O ATOM 1075 CB APRO A 37 -10.689 0.608 7.032 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.660 0.878 5.300 0.80 0.00 C ATOM 1077 CG APRO A 37 -10.621 0.770 5.554 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.235 0.633 3.894 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.358 0.079 5.118 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.098 -0.348 3.968 0.80 0.00 C ATOM 0 HA APRO A 37 -9.513 -0.810 8.251 0.20 0.00 H new ATOM 0 HA BPRO A 37 -10.122 -0.343 7.060 0.80 0.00 H new ATOM 0 HB2APRO A 37 -11.719 0.640 7.387 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.709 1.169 5.352 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.151 1.407 7.543 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -10.083 1.684 5.754 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.493 0.328 5.073 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.058 0.232 3.302 0.80 0.00 H new ATOM 0 HG3APRO A 37 -10.604 1.824 5.278 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.920 1.560 3.415 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.464 -0.366 4.128 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.084 -1.013 3.105 0.80 0.00 H new ATOM 0 HD3APRO A 37 -8.518 0.771 5.068 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.133 0.157 3.997 0.80 0.00 H new ATOM 1095 N ASER A 38 -11.845 -1.856 8.504 0.20 0.00 N ATOM 1096 N BSER A 38 -12.087 -1.715 7.242 0.80 0.00 N ATOM 1097 CA ASER A 38 -12.896 -2.844 8.715 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.292 -2.521 7.407 0.80 0.00 C ATOM 1099 C ASER A 38 -14.158 -2.465 7.945 0.20 0.00 C ATOM 1100 C BSER A 38 -14.493 -1.639 7.737 0.80 0.00 C ATOM 1101 O ASER A 38 -14.592 -3.188 7.049 0.20 0.00 O ATOM 1102 O BSER A 38 -14.345 -0.460 8.054 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.215 -2.970 10.207 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.088 -3.558 8.511 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.425 -1.698 10.792 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.145 -4.503 8.525 0.80 0.00 O ATOM 0 H ASER A 38 -11.726 -1.196 9.273 0.20 0.00 H new ATOM 0 H BSER A 38 -11.588 -1.520 8.110 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.538 -3.805 8.345 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.488 -3.036 6.466 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.104 -3.587 10.341 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.139 -4.072 8.361 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.395 -3.477 10.716 0.20 0.00 H new ATOM 0 HB3BSER A 38 -13.030 -3.058 9.478 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.629 -1.806 11.745 0.20 0.00 H new ATOM 0 HG BSER A 38 -13.990 -5.156 9.239 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.744 -1.327 8.301 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.686 -2.223 7.657 0.80 0.00 N ATOM 1119 CA AGLY A 39 -15.950 -0.871 7.635 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.897 -1.478 7.950 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.208 -1.256 8.387 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.065 -1.907 7.083 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.195 -1.376 9.612 0.20 0.00 O ATOM 1124 O BGLY A 39 -17.840 -2.434 5.994 0.80 0.00 O ATOM 0 H AGLY A 39 -14.405 -0.711 9.040 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.835 -3.197 7.395 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -15.913 0.213 7.525 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -17.158 -1.613 9.000 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -15.988 -1.292 6.630 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.710 -0.414 7.803 0.80 0.00 H new