USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 552 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= 0.44 K(o=0.74,f=-6.3!) USER MOD Set 1.2: A 29 THR OG1A: rot -78:sc= 1.1 USER MOD Set 1.3: A 29 THR OG1B: rot -167:sc= -0.791 USER MOD Set 2.1: A 18 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 19 SER OG B: rot 180:sc= 0 USER MOD Single : A 5 SER OG A: rot 180:sc= 0 USER MOD Single : A 5 SER OG B: rot 180:sc= 0 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ 139:sc= -0.538 (180deg=-2.23!) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 172:sc= 0 (180deg=-0.0355) USER MOD Single : A 16 SER OG A: rot 61:sc= 0.453 USER MOD Single : A 16 SER OG B: rot 180:sc= 0.0851 USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: 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= -1.46 K(o=-1.5,f=-15!) USER MOD Single : A 27 HIS A: no HD1:sc= -0.925 K(o=-0.93,f=-2.1) USER MOD Single : A 27 HIS B: no HD1:sc= 0.425 K(o=0.43,f=-2.1!) USER MOD Single : A 30 ASN A: amide:sc= 0.662 K(o=0.66,f=-0.034) USER MOD Single : A 30 ASN B: amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= 0 USER MOD Single : A 32 SER OG B: rot 180:sc= 0.0246 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 33 GLN B: amide:sc= 0 X(o=0,f=0.046) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.105 USER MOD Single : A 38 SER OG B: rot 180:sc= 0.0479 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -10.903 -2.813 -6.991 0.50 0.00 N ATOM 2 N BSER A 5 -11.149 -3.677 -6.736 0.50 0.00 N ATOM 3 CA ASER A 5 -12.357 -2.769 -7.061 0.50 0.00 C ATOM 4 CA BSER A 5 -12.519 -3.188 -6.637 0.50 0.00 C ATOM 5 C ASER A 5 -12.980 -3.698 -6.023 0.50 0.00 C ATOM 6 C BSER A 5 -13.081 -3.423 -5.238 0.50 0.00 C ATOM 7 O ASER A 5 -13.708 -4.628 -6.362 0.50 0.00 O ATOM 8 O BSER A 5 -13.841 -2.607 -4.715 0.50 0.00 O ATOM 9 CB ASER A 5 -12.832 -3.163 -8.461 0.50 0.00 C ATOM 10 CB BSER A 5 -13.405 -3.876 -7.677 0.50 0.00 C ATOM 11 OG ASER A 5 -14.115 -2.623 -8.735 0.50 0.00 O ATOM 12 OG BSER A 5 -13.127 -3.398 -8.981 0.50 0.00 O ATOM 0 HA ASER A 5 -12.675 -1.748 -6.848 0.50 0.00 H new ATOM 0 HA BSER A 5 -12.510 -2.115 -6.830 0.50 0.00 H new ATOM 0 HB2ASER A 5 -12.118 -2.808 -9.204 0.50 0.00 H new ATOM 0 HB2BSER A 5 -13.245 -4.954 -7.640 0.50 0.00 H new ATOM 0 HB3ASER A 5 -12.866 -4.249 -8.545 0.50 0.00 H new ATOM 0 HB3BSER A 5 -14.454 -3.701 -7.438 0.50 0.00 H new ATOM 0 HG ASER A 5 -14.396 -2.888 -9.636 0.50 0.00 H new ATOM 0 HG BSER A 5 -13.705 -3.855 -9.627 0.50 0.00 H new ATOM 23 N ALYS A 6 -12.688 -3.434 -4.753 0.50 0.00 N ATOM 24 N BLYS A 6 -12.701 -4.545 -4.635 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.218 -4.241 -3.663 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.163 -4.890 -3.298 0.50 0.00 C ATOM 27 C ALYS A 6 -13.245 -3.447 -2.360 0.50 0.00 C ATOM 28 C BLYS A 6 -12.686 -3.862 -2.275 0.50 0.00 C ATOM 29 O ALYS A 6 -12.865 -3.953 -1.304 0.50 0.00 O ATOM 30 O BLYS A 6 -11.510 -3.829 -1.913 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.377 -5.508 -3.482 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.665 -6.283 -2.906 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.694 -6.596 -4.492 0.50 0.00 C ATOM 34 CG BLYS A 6 -12.909 -7.337 -3.971 0.50 0.00 C ATOM 35 CD ALYS A 6 -12.212 -7.957 -4.014 0.50 0.00 C ATOM 36 CD BLYS A 6 -12.473 -8.715 -3.500 0.50 0.00 C ATOM 37 CE ALYS A 6 -13.372 -8.914 -3.795 0.50 0.00 C ATOM 38 CE BLYS A 6 -13.666 -9.634 -3.287 0.50 0.00 C ATOM 39 NZ ALYS A 6 -13.565 -9.828 -4.955 0.50 0.00 N ATOM 40 NZ BLYS A 6 -13.248 -10.986 -2.822 0.50 0.00 N ATOM 0 H ALYS A 6 -12.086 -2.666 -4.455 0.50 0.00 H new ATOM 0 H BLYS A 6 -12.073 -5.231 -5.053 0.50 0.00 H new ATOM 0 HA ALYS A 6 -14.240 -4.523 -3.918 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.253 -4.890 -3.307 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -11.321 -5.248 -3.560 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -11.597 -6.232 -2.695 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -12.536 -5.899 -2.477 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.158 -6.590 -1.983 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -13.769 -6.630 -4.666 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -13.968 -7.357 -4.229 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.224 -6.357 -5.446 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -12.365 -7.072 -4.878 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -11.525 -8.379 -4.747 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -11.799 -9.156 -4.235 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -11.655 -7.841 -3.085 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -11.913 -8.622 -2.570 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -13.192 -9.502 -2.895 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -14.340 -9.190 -2.554 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -14.286 -8.344 -3.626 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -14.224 -9.727 -4.219 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -14.365 -10.465 -4.766 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -14.089 -11.583 -2.688 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -13.762 -9.268 -5.809 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -12.625 -11.420 -3.533 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -12.702 -10.390 -5.101 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -12.738 -10.900 -1.920 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.698 -2.201 -2.443 0.50 0.00 N ATOM 68 N BLEU A 7 -13.608 -3.026 -1.809 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.777 -1.337 -1.270 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.283 -1.998 -0.828 0.50 0.00 C ATOM 71 C ALEU A 7 -15.220 -0.927 -0.991 0.50 0.00 C ATOM 72 C BLEU A 7 -14.542 -1.278 -0.357 0.50 0.00 C ATOM 73 O ALEU A 7 -16.076 -0.937 -1.876 0.50 0.00 O ATOM 74 O BLEU A 7 -15.562 -1.241 -1.046 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.911 -0.091 -1.471 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.296 -0.991 -1.423 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.432 -0.239 -1.118 0.50 0.00 C ATOM 78 CG BLEU A 7 -12.869 -0.019 -2.453 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.860 -1.508 -1.731 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.828 1.406 -1.926 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.648 0.980 -1.583 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.106 -0.125 -3.767 0.50 0.00 C ATOM 0 H ALEU A 7 -14.016 -1.767 -3.309 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.587 -3.041 -2.095 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.405 -1.897 -0.412 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.822 -2.483 0.032 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -12.986 0.215 -2.515 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -11.863 -0.411 -0.608 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.328 0.718 -0.871 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.480 -1.544 -1.889 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.343 -0.312 -0.034 0.50 0.00 H new ATOM 0 HG BLEU A 7 -13.910 -0.286 -2.635 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.806 -1.596 -1.468 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.240 2.083 -2.674 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.402 -2.373 -1.349 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.418 1.473 -1.012 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -10.961 -1.466 -2.815 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.796 1.686 -1.713 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.597 0.857 -1.323 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.527 0.574 -4.490 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.745 1.084 -2.664 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.056 0.115 -3.599 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.040 1.873 -1.096 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.188 -1.141 -4.154 0.50 0.00 H new ATOM 105 N APRO A 8 -15.497 -0.557 0.268 0.50 0.00 N ATOM 106 N BPRO A 8 -14.471 -0.685 0.844 0.50 0.00 N ATOM 107 CA APRO A 8 -16.836 -0.135 0.692 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.594 0.049 1.433 0.50 0.00 C ATOM 109 C APRO A 8 -17.230 1.216 0.106 0.50 0.00 C ATOM 110 C BPRO A 8 -15.883 1.354 0.699 0.50 0.00 C ATOM 111 O APRO A 8 -16.426 1.906 -0.521 0.50 0.00 O ATOM 112 O BPRO A 8 -15.036 1.895 -0.013 0.50 0.00 O ATOM 113 CB APRO A 8 -16.711 -0.039 2.215 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.125 0.332 2.863 0.50 0.00 C ATOM 115 CG APRO A 8 -15.263 0.209 2.462 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.637 0.323 2.780 0.50 0.00 C ATOM 117 CD APRO A 8 -14.527 -0.522 1.374 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.287 -0.687 1.721 0.50 0.00 C ATOM 0 HA APRO A 8 -17.607 -0.828 0.356 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.523 -0.519 1.380 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.324 0.770 2.612 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.496 1.293 3.219 0.50 0.00 H new ATOM 0 HB3APRO A 8 -17.043 -0.958 2.698 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.488 -0.427 3.557 0.50 0.00 H new ATOM 0 HG2APRO A 8 -15.040 1.276 2.436 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.255 1.310 2.519 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.967 -0.155 3.446 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.194 0.053 3.739 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.612 -0.003 1.089 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.385 -0.405 1.179 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.239 -1.525 1.688 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.106 -1.673 2.150 0.50 0.00 H new ATOM 133 N APRO A 9 -18.499 1.602 0.311 0.50 0.00 N ATOM 134 N BPRO A 9 -17.106 1.874 0.873 0.50 0.00 N ATOM 135 CA APRO A 9 -19.029 2.873 -0.191 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.535 3.122 0.236 0.50 0.00 C ATOM 137 C APRO A 9 -18.440 4.076 0.539 0.50 0.00 C ATOM 138 C BPRO A 9 -16.827 4.343 0.817 0.50 0.00 C ATOM 139 O APRO A 9 -18.677 4.265 1.733 0.50 0.00 O ATOM 140 O BPRO A 9 -16.486 4.369 1.998 0.50 0.00 O ATOM 141 CB APRO A 9 -20.531 2.764 0.081 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.035 3.179 0.538 0.50 0.00 C ATOM 143 CG APRO A 9 -20.641 1.809 1.219 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.201 2.373 1.779 0.50 0.00 C ATOM 145 CD APRO A 9 -19.512 0.829 1.047 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.167 1.284 1.707 0.50 0.00 C ATOM 0 HA APRO A 9 -18.783 3.030 -1.241 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.301 3.137 -0.828 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.959 3.734 0.335 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.371 4.206 0.685 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.067 2.399 -0.795 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.620 2.766 -0.284 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.564 2.329 2.174 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.058 2.989 2.667 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.605 1.300 1.210 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.205 1.954 1.841 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.132 0.481 2.008 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.797 1.015 2.697 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.827 -0.053 0.490 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.571 0.376 1.260 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.672 4.886 -0.183 0.50 0.00 N ATOM 162 N BGLY A 10 -16.610 5.349 -0.023 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.064 6.059 0.415 0.50 0.00 C ATOM 164 CA BGLY A 10 -15.944 6.559 0.426 0.50 0.00 C ATOM 165 C AGLY A 10 -15.556 6.082 0.244 0.50 0.00 C ATOM 166 C BGLY A 10 -14.446 6.515 0.197 0.50 0.00 C ATOM 167 O AGLY A 10 -14.938 7.146 0.271 0.50 0.00 O ATOM 168 O BGLY A 10 -13.814 7.551 -0.013 0.50 0.00 O ATOM 0 H AGLY A 10 -17.460 4.750 -1.172 0.50 0.00 H new ATOM 0 H BGLY A 10 -16.883 5.349 -1.006 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.491 6.955 -0.035 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.364 7.417 -0.099 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.307 6.089 1.477 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.142 6.707 1.488 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.967 4.905 0.068 0.50 0.00 N ATOM 176 N BTRP A 11 -13.879 5.317 0.238 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.522 4.794 -0.108 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.444 5.142 0.034 0.50 0.00 C ATOM 179 C ATRP A 11 -13.157 4.725 -1.587 0.50 0.00 C ATOM 180 C BTRP A 11 -12.126 4.929 -1.441 0.50 0.00 C ATOM 181 O ATRP A 11 -13.961 4.299 -2.414 0.50 0.00 O ATOM 182 O BTRP A 11 -12.877 4.268 -2.158 0.50 0.00 O ATOM 183 CB ATRP A 11 -12.994 3.555 0.620 0.50 0.00 C ATOM 184 CB BTRP A 11 -11.932 3.958 0.856 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.723 3.791 2.074 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.252 4.065 2.317 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.603 3.638 3.106 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.440 3.765 2.919 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.490 4.226 2.655 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.370 4.504 3.356 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.990 3.951 4.297 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.351 3.992 4.272 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.693 4.312 4.047 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.092 4.446 4.565 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.232 4.547 2.139 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.043 4.941 3.385 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.686 4.710 4.924 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.530 4.806 5.785 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.234 4.942 3.009 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.486 5.300 4.596 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.465 5.020 4.389 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.228 5.230 5.784 0.50 0.00 C ATOM 0 H ATRP A 11 -15.465 4.015 0.043 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.389 4.451 0.411 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.059 5.683 0.319 0.50 0.00 H new ATOM 0 HA BTRP A 11 -11.941 6.050 0.367 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.719 2.747 0.519 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.365 3.038 0.463 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.076 3.222 0.136 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.852 3.880 0.733 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.629 3.318 3.003 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.320 3.403 2.408 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.430 3.919 5.217 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.101 3.846 4.948 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.043 4.487 1.077 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.463 4.997 2.476 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.863 4.772 5.988 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.100 4.753 6.701 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.259 5.195 2.619 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.462 5.640 4.629 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.664 5.331 5.043 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.764 5.516 6.716 0.50 0.00 H new ATOM 223 N AGLU A 12 -11.939 5.148 -1.911 0.50 0.00 N ATOM 224 N BGLU A 12 -11.008 5.492 -1.888 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.469 5.134 -3.291 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.592 5.364 -3.279 0.50 0.00 C ATOM 227 C AGLU A 12 -10.102 4.464 -3.393 0.50 0.00 C ATOM 228 C BGLU A 12 -9.286 4.582 -3.388 0.50 0.00 C ATOM 229 O AGLU A 12 -9.124 4.934 -2.811 0.50 0.00 O ATOM 230 O BGLU A 12 -8.360 4.786 -2.603 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.395 6.560 -3.840 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.426 6.746 -3.917 0.50 0.00 C ATOM 233 CG AGLU A 12 -12.696 7.332 -3.712 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.335 6.980 -5.112 0.50 0.00 C ATOM 235 CD AGLU A 12 -13.270 7.738 -5.056 0.50 0.00 C ATOM 236 CD BGLU A 12 -11.275 8.407 -5.619 0.50 0.00 C ATOM 237 OE1AGLU A 12 -14.496 7.593 -5.244 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.119 8.771 -6.466 0.50 0.00 O ATOM 239 OE2AGLU A 12 -12.494 8.200 -5.917 0.50 0.00 O ATOM 240 OE2BGLU A 12 -10.387 9.161 -5.170 0.50 0.00 O ATOM 0 H AGLU A 12 -11.261 5.504 -1.237 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.374 6.041 -1.307 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.179 4.560 -3.886 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.369 4.817 -3.813 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -10.608 7.102 -3.315 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -10.625 7.510 -3.165 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -11.108 6.521 -4.891 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -9.389 6.870 -4.230 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -13.425 6.721 -3.180 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -11.054 6.300 -5.916 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.527 8.224 -3.109 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -12.362 6.739 -4.836 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.042 3.365 -4.137 0.50 0.00 N ATOM 254 N BLYS A 13 -9.219 3.685 -4.365 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.796 2.630 -4.318 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.027 2.871 -4.577 0.50 0.00 C ATOM 257 C ALYS A 13 -7.919 3.296 -5.374 0.50 0.00 C ATOM 258 C BLYS A 13 -7.229 3.379 -5.774 0.50 0.00 C ATOM 259 O ALYS A 13 -8.315 3.422 -6.533 0.50 0.00 O ATOM 260 O BLYS A 13 -7.657 3.240 -6.919 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.088 1.183 -4.720 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.417 1.407 -4.795 0.50 0.00 C ATOM 263 CG ALYS A 13 -7.852 0.301 -4.759 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.230 0.493 -5.048 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.323 0.144 -6.175 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.657 -0.801 -5.721 0.50 0.00 C ATOM 267 CE ALYS A 13 -6.857 -1.280 -6.441 0.50 0.00 C ATOM 268 CE BLYS A 13 -6.957 -2.004 -5.109 0.50 0.00 C ATOM 269 NZ ALYS A 13 -7.112 -1.694 -7.848 0.50 0.00 N ATOM 270 NZ BLYS A 13 -5.861 -2.512 -5.981 0.50 0.00 N ATOM 0 H ALYS A 13 -10.843 2.963 -4.625 0.50 0.00 H new ATOM 0 H BLYS A 13 -9.976 3.503 -5.023 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.259 2.636 -3.370 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.402 2.946 -3.687 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.806 0.758 -4.018 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -8.960 1.050 -3.920 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.560 1.176 -5.702 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.101 1.344 -5.642 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.076 0.732 -4.126 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.501 1.007 -5.675 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -8.091 -0.680 -4.348 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.736 0.267 -4.103 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.103 0.412 -6.888 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.736 -0.921 -5.629 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -6.495 0.835 -6.334 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -7.431 -0.750 -6.786 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -5.791 -1.359 -6.227 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.549 -1.731 -4.136 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -7.370 -1.962 -5.763 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -7.683 -2.799 -4.939 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -6.780 -2.670 -7.988 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -5.041 -2.768 -5.395 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -8.132 -1.643 -8.045 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -6.191 -3.351 -6.500 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -6.602 -1.059 -8.495 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -5.585 -1.772 -6.658 0.50 0.00 H new ATOM 297 N AARG A 14 -6.727 3.717 -4.966 0.50 0.00 N ATOM 298 N BARG A 14 -6.070 3.964 -5.499 0.50 0.00 N ATOM 299 CA AARG A 14 -5.795 4.370 -5.877 0.50 0.00 C ATOM 300 CA BARG A 14 -5.212 4.492 -6.553 0.50 0.00 C ATOM 301 C AARG A 14 -4.482 3.596 -5.958 0.50 0.00 C ATOM 302 C BARG A 14 -3.769 4.031 -6.362 0.50 0.00 C ATOM 303 O AARG A 14 -4.212 2.723 -5.133 0.50 0.00 O ATOM 304 O BARG A 14 -3.333 3.772 -5.240 0.50 0.00 O ATOM 305 CB AARG A 14 -5.524 5.806 -5.422 0.50 0.00 C ATOM 306 CB BARG A 14 -5.270 6.021 -6.570 0.50 0.00 C ATOM 307 CG AARG A 14 -6.773 6.669 -5.356 0.50 0.00 C ATOM 308 CG BARG A 14 -6.660 6.580 -6.313 0.50 0.00 C ATOM 309 CD AARG A 14 -6.850 7.631 -6.531 0.50 0.00 C ATOM 310 CD BARG A 14 -7.001 7.698 -7.287 0.50 0.00 C ATOM 311 NE AARG A 14 -7.016 6.931 -7.801 0.50 0.00 N ATOM 312 NE BARG A 14 -8.440 7.809 -7.510 0.50 0.00 N ATOM 313 CZ AARG A 14 -7.513 7.500 -8.894 0.50 0.00 C ATOM 314 CZ BARG A 14 -9.113 7.043 -8.362 0.50 0.00 C ATOM 315 NH1AARG A 14 -7.889 8.772 -8.871 0.50 0.00 N ATOM 316 NH1BARG A 14 -8.480 6.115 -9.066 0.50 0.00 N ATOM 317 NH2AARG A 14 -7.632 6.796 -10.014 0.50 0.00 N ATOM 318 NH2BARG A 14 -10.421 7.205 -8.509 0.50 0.00 N ATOM 0 H AARG A 14 -6.384 3.618 -4.011 0.50 0.00 H new ATOM 0 H BARG A 14 -5.702 4.085 -4.555 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.249 4.389 -6.868 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.575 4.110 -7.507 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.055 5.784 -4.438 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.586 6.411 -5.816 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.810 6.266 -6.105 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.917 6.379 -7.537 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.657 6.031 -5.348 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.396 5.781 -6.402 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.778 7.232 -4.423 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.719 6.956 -5.291 0.50 0.00 H new ATOM 0 HD2AARG A 14 -7.684 8.317 -6.384 0.50 0.00 H new ATOM 0 HD2BARG A 14 -6.620 8.644 -6.901 0.50 0.00 H new ATOM 0 HD3AARG A 14 -5.943 8.234 -6.566 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.500 7.516 -8.238 0.50 0.00 H new ATOM 0 HE AARG A 14 -6.735 5.952 -7.852 0.50 0.00 H new ATOM 0 HE BARG A 14 -8.957 8.513 -6.983 0.50 0.00 H new ATOM 0 HH11AARG A 14 -7.797 9.316 -8.013 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.474 5.988 -8.954 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.270 9.206 -9.711 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.999 5.528 -9.719 0.50 0.00 H new ATOM 0 HH21AARG A 14 -7.342 5.818 -10.035 0.50 0.00 H new ATOM 0 HH21BARG A 14 -10.911 7.918 -7.968 0.50 0.00 H new ATOM 0 HH22AARG A 14 -8.014 7.233 -10.853 0.50 0.00 H new ATOM 0 HH22BARG A 14 -10.937 6.617 -9.163 0.50 0.00 H new ATOM 345 N AMET A 15 -3.672 3.918 -6.962 0.50 0.00 N ATOM 346 N BMET A 15 -3.035 3.929 -7.465 0.50 0.00 N ATOM 347 CA AMET A 15 -2.388 3.253 -7.151 0.50 0.00 C ATOM 348 CA BMET A 15 -1.642 3.500 -7.419 0.50 0.00 C ATOM 349 C AMET A 15 -1.269 4.273 -7.334 0.50 0.00 C ATOM 350 C BMET A 15 -0.729 4.542 -8.057 0.50 0.00 C ATOM 351 O AMET A 15 -1.474 5.334 -7.921 0.50 0.00 O ATOM 352 O BMET A 15 -0.939 4.949 -9.200 0.50 0.00 O ATOM 353 CB AMET A 15 -2.448 2.321 -8.363 0.50 0.00 C ATOM 354 CB BMET A 15 -1.477 2.156 -8.131 0.50 0.00 C ATOM 355 CG AMET A 15 -1.550 1.101 -8.233 0.50 0.00 C ATOM 356 CG BMET A 15 -0.394 1.276 -7.528 0.50 0.00 C ATOM 357 SD AMET A 15 -0.132 1.160 -9.347 0.50 0.00 S ATOM 358 SD BMET A 15 -0.659 -0.476 -7.854 0.50 0.00 S ATOM 359 CE AMET A 15 -0.302 -0.407 -10.196 0.50 0.00 C ATOM 360 CE BMET A 15 -0.604 -0.498 -9.645 0.50 0.00 C ATOM 0 H AMET A 15 -3.882 4.635 -7.657 0.50 0.00 H new ATOM 0 H BMET A 15 -3.381 4.137 -8.401 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.176 2.665 -6.258 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.358 3.387 -6.373 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.477 1.992 -8.508 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.426 1.621 -8.103 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.163 2.879 -9.255 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.244 2.337 -9.180 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.196 1.023 -7.205 0.50 0.00 H new ATOM 0 HG2BMET A 15 0.575 1.573 -7.929 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.132 0.203 -8.439 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.357 1.439 -6.451 0.50 0.00 H new ATOM 0 HE1AMET A 15 0.505 -0.518 -10.921 0.50 0.00 H new ATOM 0 HE1BMET A 15 -0.610 -1.530 -9.997 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.253 -1.220 -9.472 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.473 0.026 -10.042 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.261 -0.438 -10.713 0.50 0.00 H new ATOM 0 HE3BMET A 15 0.305 -0.003 -9.987 0.50 0.00 H new ATOM 379 N ASER A 16 -0.085 3.944 -6.828 0.50 0.00 N ATOM 380 N BSER A 16 0.283 4.971 -7.311 0.50 0.00 N ATOM 381 CA ASER A 16 1.066 4.834 -6.932 0.50 0.00 C ATOM 382 CA BSER A 16 1.226 5.970 -7.802 0.50 0.00 C ATOM 383 C ASER A 16 1.946 4.445 -8.115 0.50 0.00 C ATOM 384 C BSER A 16 1.958 5.462 -9.039 0.50 0.00 C ATOM 385 O ASER A 16 2.566 3.381 -8.120 0.50 0.00 O ATOM 386 O BSER A 16 1.882 4.281 -9.378 0.50 0.00 O ATOM 387 CB ASER A 16 1.882 4.797 -5.639 0.50 0.00 C ATOM 388 CB BSER A 16 2.233 6.332 -6.709 0.50 0.00 C ATOM 389 OG ASER A 16 1.548 5.885 -4.794 0.50 0.00 O ATOM 390 OG BSER A 16 1.712 6.054 -5.422 0.50 0.00 O ATOM 0 H ASER A 16 0.103 3.067 -6.342 0.50 0.00 H new ATOM 0 H BSER A 16 0.472 4.643 -6.364 0.50 0.00 H new ATOM 0 HA ASER A 16 0.699 5.848 -7.093 0.50 0.00 H new ATOM 0 HA BSER A 16 0.664 6.863 -8.076 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.700 3.858 -5.117 0.50 0.00 H new ATOM 0 HB2BSER A 16 3.155 5.771 -6.860 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.946 4.829 -5.875 0.50 0.00 H new ATOM 0 HB3BSER A 16 2.488 7.389 -6.781 0.50 0.00 H new ATOM 0 HG ASER A 16 0.601 5.829 -4.547 0.50 0.00 H new ATOM 0 HG BSER A 16 2.376 6.293 -4.742 0.50 0.00 H new ATOM 401 N AARG A 17 1.999 5.315 -9.117 0.50 0.00 N ATOM 402 N BARG A 17 2.670 6.363 -9.710 0.50 0.00 N ATOM 403 CA AARG A 17 2.802 5.065 -10.307 0.50 0.00 C ATOM 404 CA BARG A 17 3.417 6.007 -10.911 0.50 0.00 C ATOM 405 C AARG A 17 4.221 4.649 -9.927 0.50 0.00 C ATOM 406 C BARG A 17 4.920 6.068 -10.654 0.50 0.00 C ATOM 407 O AARG A 17 4.864 3.879 -10.638 0.50 0.00 O ATOM 408 O BARG A 17 5.645 6.798 -11.327 0.50 0.00 O ATOM 409 CB AARG A 17 2.845 6.310 -11.192 0.50 0.00 C ATOM 410 CB BARG A 17 3.048 6.943 -12.062 0.50 0.00 C ATOM 411 CG AARG A 17 3.922 6.261 -12.262 0.50 0.00 C ATOM 412 CG BARG A 17 1.549 7.070 -12.288 0.50 0.00 C ATOM 413 CD AARG A 17 3.946 7.538 -13.088 0.50 0.00 C ATOM 414 CD BARG A 17 1.221 8.238 -13.205 0.50 0.00 C ATOM 415 NE AARG A 17 2.608 7.939 -13.516 0.50 0.00 N ATOM 416 NE BARG A 17 2.079 8.265 -14.386 0.50 0.00 N ATOM 417 CZ AARG A 17 2.321 9.144 -13.997 0.50 0.00 C ATOM 418 CZ BARG A 17 2.217 9.328 -15.170 0.50 0.00 C ATOM 419 NH1AARG A 17 3.272 10.059 -14.112 0.50 0.00 N ATOM 420 NH1BARG A 17 1.558 10.446 -14.898 0.50 0.00 N ATOM 421 NH2AARG A 17 1.079 9.432 -14.364 0.50 0.00 N ATOM 422 NH2BARG A 17 3.018 9.274 -16.227 0.50 0.00 N ATOM 0 H AARG A 17 1.494 6.201 -9.128 0.50 0.00 H new ATOM 0 H BARG A 17 2.745 7.344 -9.442 0.50 0.00 H new ATOM 0 HA AARG A 17 2.338 4.250 -10.862 0.50 0.00 H new ATOM 0 HA BARG A 17 3.153 4.985 -11.183 0.50 0.00 H new ATOM 0 HB2AARG A 17 1.874 6.438 -11.671 0.50 0.00 H new ATOM 0 HB2BARG A 17 3.462 7.931 -11.862 0.50 0.00 H new ATOM 0 HB3AARG A 17 3.008 7.186 -10.564 0.50 0.00 H new ATOM 0 HB3BARG A 17 3.516 6.581 -12.978 0.50 0.00 H new ATOM 0 HG2AARG A 17 4.895 6.111 -11.794 0.50 0.00 H new ATOM 0 HG2BARG A 17 1.166 6.146 -12.722 0.50 0.00 H new ATOM 0 HG3AARG A 17 3.748 5.407 -12.916 0.50 0.00 H new ATOM 0 HG3BARG A 17 1.046 7.205 -11.331 0.50 0.00 H new ATOM 0 HD2AARG A 17 4.395 8.340 -12.502 0.50 0.00 H new ATOM 0 HD2BARG A 17 0.178 8.173 -13.516 0.50 0.00 H new ATOM 0 HD3AARG A 17 4.578 7.391 -13.964 0.50 0.00 H new ATOM 0 HD3BARG A 17 1.332 9.173 -12.655 0.50 0.00 H new ATOM 0 HE AARG A 17 1.853 7.257 -13.442 0.50 0.00 H new ATOM 0 HE BARG A 17 2.601 7.421 -14.622 0.50 0.00 H new ATOM 0 HH11AARG A 17 4.228 9.839 -13.831 0.50 0.00 H new ATOM 0 HH11BARG A 17 0.943 10.491 -14.085 0.50 0.00 H new ATOM 0 HH12AARG A 17 3.049 10.983 -14.482 0.50 0.00 H new ATOM 0 HH12BARG A 17 1.666 11.261 -15.502 0.50 0.00 H new ATOM 0 HH21AARG A 17 0.345 8.729 -14.277 0.50 0.00 H new ATOM 0 HH21BARG A 17 3.528 8.416 -16.437 0.50 0.00 H new ATOM 0 HH22AARG A 17 0.858 10.357 -14.733 0.50 0.00 H new ATOM 0 HH22BARG A 17 3.124 10.091 -16.829 0.50 0.00 H new ATOM 449 N AASN A 18 4.701 5.166 -8.801 0.50 0.00 N ATOM 450 N BASN A 18 5.379 5.297 -9.673 0.50 0.00 N ATOM 451 CA AASN A 18 6.043 4.848 -8.327 0.50 0.00 C ATOM 452 CA BASN A 18 6.795 5.265 -9.327 0.50 0.00 C ATOM 453 C AASN A 18 6.028 3.610 -7.436 0.50 0.00 C ATOM 454 C BASN A 18 7.146 3.975 -8.591 0.50 0.00 C ATOM 455 O AASN A 18 5.347 3.579 -6.412 0.50 0.00 O ATOM 456 O BASN A 18 7.916 3.153 -9.089 0.50 0.00 O ATOM 457 CB AASN A 18 6.629 6.036 -7.559 0.50 0.00 C ATOM 458 CB BASN A 18 7.159 6.473 -8.462 0.50 0.00 C ATOM 459 CG AASN A 18 8.114 5.883 -7.302 0.50 0.00 C ATOM 460 CG BASN A 18 8.607 6.891 -8.631 0.50 0.00 C ATOM 461 OD1AASN A 18 8.931 6.025 -8.215 0.50 0.00 O ATOM 462 OD1BASN A 18 8.919 7.775 -9.429 0.50 0.00 O ATOM 463 ND2AASN A 18 8.475 5.591 -6.059 0.50 0.00 N ATOM 464 ND2BASN A 18 9.496 6.257 -7.878 0.50 0.00 N ATOM 0 H AASN A 18 4.182 5.806 -8.200 0.50 0.00 H new ATOM 0 H BASN A 18 4.791 4.687 -9.105 0.50 0.00 H new ATOM 0 HA AASN A 18 6.668 4.640 -9.195 0.50 0.00 H new ATOM 0 HA BASN A 18 7.370 5.303 -10.252 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.453 6.952 -8.123 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.510 7.310 -8.720 0.50 0.00 H new ATOM 0 HB3AASN A 18 6.108 6.143 -6.608 0.50 0.00 H new ATOM 0 HB3BASN A 18 6.972 6.236 -7.415 0.50 0.00 H new ATOM 0 HD21AASN A 18 9.462 5.475 -5.828 0.50 0.00 H new ATOM 0 HD21BASN A 18 10.485 6.496 -7.947 0.50 0.00 H new ATOM 0 HD22AASN A 18 7.766 5.482 -5.334 0.50 0.00 H new ATOM 0 HD22BASN A 18 9.190 5.531 -7.230 0.50 0.00 H new ATOM 477 N ASER A 19 6.785 2.592 -7.834 0.50 0.00 N ATOM 478 N BSER A 19 6.575 3.804 -7.402 0.50 0.00 N ATOM 479 CA ASER A 19 6.857 1.349 -7.073 0.50 0.00 C ATOM 480 CA BSER A 19 6.829 2.616 -6.596 0.50 0.00 C ATOM 481 C ASER A 19 5.520 0.613 -7.108 0.50 0.00 C ATOM 482 C BSER A 19 5.709 1.594 -6.765 0.50 0.00 C ATOM 483 O ASER A 19 5.309 -0.350 -6.375 0.50 0.00 O ATOM 484 O BSER A 19 5.921 0.393 -6.606 0.50 0.00 O ATOM 485 CB ASER A 19 7.254 1.636 -5.625 0.50 0.00 C ATOM 486 CB BSER A 19 6.969 2.996 -5.120 0.50 0.00 C ATOM 487 OG ASER A 19 8.506 1.048 -5.314 0.50 0.00 O ATOM 488 OG BSER A 19 8.272 2.714 -4.642 0.50 0.00 O ATOM 0 H ASER A 19 7.357 2.603 -8.679 0.50 0.00 H new ATOM 0 H BSER A 19 5.934 4.473 -6.976 0.50 0.00 H new ATOM 0 HA ASER A 19 7.615 0.714 -7.532 0.50 0.00 H new ATOM 0 HA BSER A 19 7.761 2.167 -6.939 0.50 0.00 H new ATOM 0 HB2ASER A 19 7.305 2.713 -5.465 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.753 4.057 -4.992 0.50 0.00 H new ATOM 0 HB3ASER A 19 6.489 1.249 -4.951 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.235 2.448 -4.529 0.50 0.00 H new ATOM 0 HG ASER A 19 8.739 1.247 -4.383 0.50 0.00 H new ATOM 0 HG BSER A 19 8.336 2.967 -3.697 0.50 0.00 H new ATOM 499 N AGLY A 20 4.619 1.078 -7.969 0.50 0.00 N ATOM 500 N BGLY A 20 4.516 2.083 -7.092 0.50 0.00 N ATOM 501 CA AGLY A 20 3.313 0.454 -8.085 0.50 0.00 C ATOM 502 CA BGLY A 20 3.379 1.199 -7.279 0.50 0.00 C ATOM 503 C AGLY A 20 2.697 0.141 -6.736 0.50 0.00 C ATOM 504 C BGLY A 20 2.844 0.659 -5.969 0.50 0.00 C ATOM 505 O AGLY A 20 1.970 -0.842 -6.591 0.50 0.00 O ATOM 506 O BGLY A 20 2.642 -0.546 -5.823 0.50 0.00 O ATOM 0 H AGLY A 20 4.770 1.875 -8.588 0.50 0.00 H new ATOM 0 H BGLY A 20 4.317 3.074 -7.231 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.647 1.114 -8.641 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.586 1.737 -7.798 0.50 0.00 H new ATOM 0 HA3AGLY A 20 3.404 -0.466 -8.662 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.671 0.367 -7.919 0.50 0.00 H new ATOM 513 N AARG A 21 2.990 0.978 -5.746 0.50 0.00 N ATOM 514 N BARG A 21 2.613 1.553 -5.013 0.50 0.00 N ATOM 515 CA AARG A 21 2.461 0.784 -4.400 0.50 0.00 C ATOM 516 CA BARG A 21 2.100 1.159 -3.705 0.50 0.00 C ATOM 517 C AARG A 21 0.962 1.064 -4.361 0.50 0.00 C ATOM 518 C BARG A 21 0.637 1.566 -3.551 0.50 0.00 C ATOM 519 O AARG A 21 0.430 1.783 -5.206 0.50 0.00 O ATOM 520 O BARG A 21 0.330 2.610 -2.975 0.50 0.00 O ATOM 521 CB AARG A 21 3.188 1.695 -3.410 0.50 0.00 C ATOM 522 CB BARG A 21 2.938 1.793 -2.594 0.50 0.00 C ATOM 523 CG AARG A 21 4.500 1.120 -2.901 0.50 0.00 C ATOM 524 CG BARG A 21 3.873 0.812 -1.903 0.50 0.00 C ATOM 525 CD AARG A 21 5.483 2.218 -2.530 0.50 0.00 C ATOM 526 CD BARG A 21 5.291 1.360 -1.823 0.50 0.00 C ATOM 527 NE AARG A 21 4.987 3.049 -1.435 0.50 0.00 N ATOM 528 NE BARG A 21 5.407 2.438 -0.845 0.50 0.00 N ATOM 529 CZ AARG A 21 4.387 4.220 -1.615 0.50 0.00 C ATOM 530 CZ BARG A 21 5.437 3.724 -1.172 0.50 0.00 C ATOM 531 NH1AARG A 21 4.208 4.696 -2.840 0.50 0.00 N ATOM 532 NH1BARG A 21 5.361 4.092 -2.443 0.50 0.00 N ATOM 533 NH2AARG A 21 3.964 4.917 -0.570 0.50 0.00 N ATOM 534 NH2BARG A 21 5.545 4.647 -0.226 0.50 0.00 N ATOM 0 H AARG A 21 3.590 1.796 -5.850 0.50 0.00 H new ATOM 0 H BARG A 21 2.773 2.555 -5.119 0.50 0.00 H new ATOM 0 HA AARG A 21 2.626 -0.255 -4.116 0.50 0.00 H new ATOM 0 HA BARG A 21 2.167 0.074 -3.626 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.383 2.655 -3.889 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.526 2.609 -3.014 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.533 1.890 -2.561 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.271 2.231 -1.852 0.50 0.00 H new ATOM 0 HG2AARG A 21 4.310 0.491 -2.031 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.505 0.602 -0.899 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.939 0.480 -3.666 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.877 -0.133 -2.445 0.50 0.00 H new ATOM 0 HD2AARG A 21 6.435 1.771 -2.243 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.976 0.555 -1.558 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.674 2.843 -3.402 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.594 1.726 -2.804 0.50 0.00 H new ATOM 0 HE AARG A 21 5.108 2.711 -0.480 0.50 0.00 H new ATOM 0 HE BARG A 21 5.468 2.189 0.142 0.50 0.00 H new ATOM 0 HH11AARG A 21 4.531 4.162 -3.647 0.50 0.00 H new ATOM 0 HH11BARG A 21 5.279 3.386 -3.174 0.50 0.00 H new ATOM 0 HH12AARG A 21 3.747 5.596 -2.975 0.50 0.00 H new ATOM 0 HH12BARG A 21 5.384 5.081 -2.690 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.099 4.554 0.374 0.50 0.00 H new ATOM 0 HH21BARG A 21 5.605 4.369 0.753 0.50 0.00 H new ATOM 0 HH22AARG A 21 3.503 5.816 -0.709 0.50 0.00 H new ATOM 0 HH22BARG A 21 5.568 5.635 -0.478 0.50 0.00 H new ATOM 561 N AVAL A 22 0.286 0.488 -3.371 0.50 0.00 N ATOM 562 N BVAL A 22 -0.260 0.735 -4.069 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.153 0.675 -3.220 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.691 1.007 -3.988 0.50 0.00 C ATOM 565 C AVAL A 22 -1.468 1.571 -2.027 0.50 0.00 C ATOM 566 C BVAL A 22 -2.113 1.299 -2.552 0.50 0.00 C ATOM 567 O AVAL A 22 -0.840 1.464 -0.973 0.50 0.00 O ATOM 568 O BVAL A 22 -1.621 0.680 -1.609 0.50 0.00 O ATOM 569 CB AVAL A 22 -1.878 -0.671 -3.042 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.519 -0.176 -4.524 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.369 -0.454 -2.840 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.542 -1.312 -3.513 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.621 -1.577 -4.237 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.931 0.274 -4.865 0.50 0.00 C ATOM 0 H AVAL A 22 0.711 -0.111 -2.663 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.022 -0.133 -4.550 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.508 1.152 -4.133 0.50 0.00 H new ATOM 0 HA BVAL A 22 -1.882 1.884 -4.606 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.483 -1.160 -2.152 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.049 -0.543 -5.436 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -3.863 -1.417 -2.716 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.131 -2.139 -3.908 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.531 0.154 -1.950 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.523 -1.651 -3.323 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -3.783 0.057 -3.709 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -2.988 -0.962 -2.582 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.141 -2.524 -4.094 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.502 -0.574 -5.242 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -1.987 -1.095 -5.144 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.414 0.667 -3.970 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.551 -1.761 -4.330 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -3.891 1.052 -5.627 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.445 2.454 -2.199 0.50 0.00 N ATOM 594 N BTYR A 23 -3.029 2.250 -2.394 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.843 3.371 -1.137 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.517 2.626 -1.073 0.50 0.00 C ATOM 597 C ATYR A 23 -4.312 3.760 -1.276 0.50 0.00 C ATOM 598 C BTYR A 23 -4.994 3.009 -1.127 0.50 0.00 C ATOM 599 O ATYR A 23 -4.818 3.930 -2.385 0.50 0.00 O ATOM 600 O BTYR A 23 -5.606 3.019 -2.195 0.50 0.00 O ATOM 601 CB ATYR A 23 -1.967 4.624 -1.161 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.697 3.792 -0.517 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.261 5.547 -2.324 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.741 5.032 -1.383 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.194 6.569 -2.206 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.555 6.105 -1.049 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.606 5.393 -3.539 0.50 0.00 C ATOM 608 CD2BTYR A 23 -1.972 5.125 -2.536 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.466 7.413 -3.266 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.599 7.240 -1.837 0.50 0.00 C ATOM 611 CE2ATYR A 23 -1.870 6.233 -4.604 0.50 0.00 C ATOM 612 CE2BTYR A 23 -2.008 6.256 -3.328 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.800 7.241 -4.462 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.823 7.311 -2.975 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.068 8.080 -5.522 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.864 8.437 -3.765 0.50 0.00 O ATOM 0 H ATYR A 23 -2.976 2.554 -3.064 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.447 2.773 -3.163 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.709 2.862 -0.183 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.407 1.765 -0.414 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.106 5.172 -0.229 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.064 4.041 0.478 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -0.920 4.324 -1.202 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.660 3.475 -0.404 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.716 6.706 -1.270 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -4.164 6.053 -0.159 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -0.878 4.603 -3.653 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.335 4.299 -2.818 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -4.195 8.202 -3.159 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.238 8.067 -1.563 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.351 6.101 -5.542 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.401 6.314 -4.219 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.514 7.825 -6.289 0.50 0.00 H new ATOM 0 HH BTYR A 23 -2.257 8.325 -4.526 0.50 0.00 H new ATOM 635 N ATYR A 24 -4.988 3.901 -0.142 0.50 0.00 N ATOM 636 N BTYR A 24 -5.559 3.322 0.033 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.400 4.270 -0.135 0.50 0.00 C ATOM 638 CA BTYR A 24 -6.964 3.704 0.122 0.50 0.00 C ATOM 639 C ATYR A 24 -6.580 5.738 0.243 0.50 0.00 C ATOM 640 C BTYR A 24 -7.115 5.082 0.759 0.50 0.00 C ATOM 641 O ATYR A 24 -5.758 6.310 0.958 0.50 0.00 O ATOM 642 O BTYR A 24 -6.730 5.293 1.909 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.176 3.381 0.840 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.747 2.668 0.927 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.009 1.902 0.575 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.787 1.301 0.282 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.327 1.358 -0.661 0.50 0.00 C ATOM 648 CD1BTYR A 24 -8.862 0.918 -0.513 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.533 1.050 1.565 0.50 0.00 C ATOM 650 CD2BTYR A 24 -6.751 0.391 0.467 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.177 0.006 -0.908 0.50 0.00 C ATOM 652 CE1BTYR A 24 -8.903 -0.330 -1.104 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.378 -0.302 1.326 0.50 0.00 C ATOM 654 CE2BTYR A 24 -6.785 -0.857 -0.123 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.702 -0.820 0.090 0.50 0.00 C ATOM 656 CZ BTYR A 24 -7.863 -1.212 -0.907 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.552 -2.166 -0.150 0.50 0.00 O ATOM 658 OH BTYR A 24 -7.899 -2.456 -1.495 0.50 0.00 O ATOM 0 H ATYR A 24 -4.582 3.766 0.784 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.066 3.319 0.926 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.792 4.124 -1.141 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.367 3.746 -0.890 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -6.848 3.599 1.857 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.303 2.579 1.918 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.235 3.634 0.785 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.768 3.024 1.066 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.698 2.002 -1.444 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.678 1.608 -0.671 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.281 1.451 2.536 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -5.907 0.665 1.082 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.430 -0.401 -1.876 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.746 -0.613 -1.717 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -6.004 -0.951 2.105 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -5.972 -1.551 0.029 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.207 -2.605 0.655 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.089 -2.954 -1.257 0.50 0.00 H new ATOM 677 N APHE A 25 -7.660 6.338 -0.244 0.50 0.00 N ATOM 678 N BPHE A 25 -7.681 6.016 0.001 0.50 0.00 N ATOM 679 CA APHE A 25 -7.947 7.740 0.044 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.885 7.375 0.491 0.50 0.00 C ATOM 681 C APHE A 25 -9.427 7.937 0.359 0.50 0.00 C ATOM 682 C BPHE A 25 -9.366 7.740 0.481 0.50 0.00 C ATOM 683 O APHE A 25 -10.286 7.773 -0.508 0.50 0.00 O ATOM 684 O BPHE A 25 -10.039 7.622 -0.542 0.50 0.00 O ATOM 685 CB APHE A 25 -7.547 8.617 -1.144 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.098 8.372 -0.363 0.50 0.00 C ATOM 687 CG APHE A 25 -7.047 9.975 -0.744 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.419 9.807 -0.059 0.50 0.00 C ATOM 689 CD1APHE A 25 -7.890 10.886 -0.126 0.50 0.00 C ATOM 690 CD1BPHE A 25 -6.901 10.422 1.070 0.50 0.00 C ATOM 691 CD2APHE A 25 -5.733 10.344 -0.985 0.50 0.00 C ATOM 692 CD2BPHE A 25 -8.236 10.542 -0.902 0.50 0.00 C ATOM 693 CE1APHE A 25 -7.433 12.136 0.244 0.50 0.00 C ATOM 694 CE1BPHE A 25 -7.192 11.743 1.353 0.50 0.00 C ATOM 695 CE2APHE A 25 -5.271 11.592 -0.617 0.50 0.00 C ATOM 696 CE2BPHE A 25 -8.531 11.863 -0.623 0.50 0.00 C ATOM 697 CZ APHE A 25 -6.122 12.489 -0.002 0.50 0.00 C ATOM 698 CZ BPHE A 25 -8.011 12.463 0.506 0.50 0.00 C ATOM 0 H APHE A 25 -8.350 5.878 -0.838 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.006 5.857 -0.953 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.365 8.034 0.917 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.523 7.422 1.518 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.772 8.108 -1.717 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.032 8.206 -0.210 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.406 8.735 -1.804 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.303 8.177 -1.416 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.917 10.615 0.069 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -6.262 9.862 1.737 0.50 0.00 H new ATOM 0 HD2APHE A 25 -5.063 9.647 -1.466 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -8.647 10.078 -1.787 0.50 0.00 H new ATOM 0 HE1APHE A 25 -8.101 12.836 0.725 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -6.780 12.211 2.235 0.50 0.00 H new ATOM 0 HE2APHE A 25 -4.244 11.867 -0.810 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -9.169 12.426 -1.289 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.762 13.466 0.286 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -8.244 13.494 0.727 0.50 0.00 H new ATOM 717 N AASN A 26 -9.718 8.290 1.608 0.50 0.00 N ATOM 718 N BASN A 26 -9.867 8.184 1.630 0.50 0.00 N ATOM 719 CA AASN A 26 -11.093 8.508 2.040 0.50 0.00 C ATOM 720 CA BASN A 26 -11.270 8.565 1.755 0.50 0.00 C ATOM 721 C AASN A 26 -11.480 9.978 1.903 0.50 0.00 C ATOM 722 C BASN A 26 -11.404 10.051 2.072 0.50 0.00 C ATOM 723 O AASN A 26 -10.903 10.847 2.555 0.50 0.00 O ATOM 724 O BASN A 26 -10.858 10.538 3.064 0.50 0.00 O ATOM 725 CB AASN A 26 -11.273 8.055 3.490 0.50 0.00 C ATOM 726 CB BASN A 26 -11.950 7.737 2.847 0.50 0.00 C ATOM 727 CG AASN A 26 -12.730 8.013 3.907 0.50 0.00 C ATOM 728 CG BASN A 26 -13.428 8.046 2.972 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.118 8.610 4.912 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.970 8.860 2.223 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.548 7.307 3.134 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.090 7.398 3.924 0.50 0.00 N ATOM 0 H AASN A 26 -9.019 8.431 2.338 0.50 0.00 H new ATOM 0 H BASN A 26 -9.323 8.289 2.487 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.746 7.917 1.398 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.760 8.369 0.801 0.50 0.00 H new ATOM 0 HB2AASN A 26 -10.834 7.065 3.616 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.821 6.677 2.629 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.729 8.731 4.149 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.460 7.928 3.802 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.540 7.244 3.364 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.087 7.566 4.057 0.50 0.00 H new ATOM 0 HD22AASN A 26 -13.184 6.828 2.310 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.601 6.732 4.522 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.463 10.249 1.048 0.50 0.00 N ATOM 746 N BHIS A 27 -12.134 10.768 1.223 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.927 11.612 0.825 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.340 12.199 1.413 0.50 0.00 C ATOM 749 C AHIS A 27 -13.915 12.033 1.909 0.50 0.00 C ATOM 750 C BHIS A 27 -13.238 12.465 2.617 0.50 0.00 C ATOM 751 O AHIS A 27 -14.461 13.136 1.870 0.50 0.00 O ATOM 752 O BHIS A 27 -13.286 13.581 3.134 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.581 11.734 -0.552 0.50 0.00 C ATOM 754 CB BHIS A 27 -12.956 12.818 0.157 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.683 10.744 -0.781 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.173 12.096 -0.332 0.50 0.00 C ATOM 757 ND1AHIS A 27 -15.904 10.819 -0.145 0.50 0.00 N ATOM 758 ND1BHIS A 27 -14.114 10.913 -1.039 0.50 0.00 N ATOM 759 CD2AHIS A 27 -14.743 9.656 -1.581 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.487 12.395 -0.210 0.50 0.00 C ATOM 761 CE1AHIS A 27 -16.668 9.818 -0.544 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.339 10.518 -1.333 0.50 0.00 C ATOM 763 NE2AHIS A 27 -15.987 9.096 -1.415 0.50 0.00 N ATOM 764 NE2BHIS A 27 -16.191 11.399 -0.840 0.50 0.00 N ATOM 0 H AHIS A 27 -12.952 9.542 0.499 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.592 10.382 0.398 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.062 12.274 0.867 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.369 12.659 1.598 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.979 12.742 -0.668 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.218 13.855 0.365 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -12.819 11.602 -1.320 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.208 12.831 -0.636 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -13.959 9.294 -2.230 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -15.904 13.257 0.290 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -17.678 9.623 -0.214 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -15.600 9.626 -1.883 0.50 0.00 H new ATOM 0 HE2AHIS A 27 -16.329 8.259 -1.888 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -17.207 11.348 -0.915 0.50 0.00 H new ATOM 779 N AILE A 28 -14.139 11.149 2.874 0.50 0.00 N ATOM 780 N BILE A 28 -13.950 11.431 3.056 0.50 0.00 N ATOM 781 CA AILE A 28 -15.062 11.429 3.968 0.50 0.00 C ATOM 782 CA BILE A 28 -14.846 11.553 4.199 0.50 0.00 C ATOM 783 C AILE A 28 -14.314 11.906 5.208 0.50 0.00 C ATOM 784 C BILE A 28 -14.070 11.541 5.511 0.50 0.00 C ATOM 785 O AILE A 28 -14.751 12.828 5.894 0.50 0.00 O ATOM 786 O BILE A 28 -14.353 12.320 6.421 0.50 0.00 O ATOM 787 CB AILE A 28 -15.897 10.188 4.332 0.50 0.00 C ATOM 788 CB BILE A 28 -15.887 10.418 4.221 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.820 9.808 3.171 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.704 10.420 2.929 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.705 10.446 5.594 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.799 10.558 5.431 0.50 0.00 C ATOM 793 CD1AILE A 28 -17.825 8.734 3.523 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.004 9.654 3.034 0.50 0.00 C ATOM 0 H AILE A 28 -13.694 10.232 2.921 0.50 0.00 H new ATOM 0 H BILE A 28 -13.923 10.501 2.638 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.731 12.218 3.623 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.362 12.507 4.094 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.220 9.355 4.521 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.362 9.466 4.295 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.354 10.697 2.836 0.50 0.00 H new ATOM 0 HG12BILE A 28 -16.921 11.450 2.648 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.213 9.466 2.333 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.103 9.991 2.128 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.290 9.560 5.839 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.529 9.749 5.432 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.029 10.674 6.418 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.204 10.511 6.343 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.375 11.290 5.431 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.319 11.515 5.386 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.444 8.516 2.653 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.530 9.698 2.081 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.299 7.830 3.830 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.794 8.614 3.285 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.457 9.081 4.341 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.625 10.097 3.812 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.180 11.271 5.490 0.50 0.00 N ATOM 818 N BTHR A 29 -13.085 10.650 5.602 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.370 11.629 6.647 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.266 10.537 6.802 0.50 0.00 C ATOM 821 C ATHR A 29 -10.954 12.007 6.231 0.50 0.00 C ATOM 822 C BTHR A 29 -11.105 11.526 6.769 0.50 0.00 C ATOM 823 O ATHR A 29 -10.064 12.143 7.070 0.50 0.00 O ATOM 824 O BTHR A 29 -10.571 11.901 7.813 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.304 10.475 7.666 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.708 9.111 6.967 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.797 9.293 7.034 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.919 8.758 5.825 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.676 10.192 8.256 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.834 8.105 7.143 0.50 0.00 C ATOM 0 H ATHR A 29 -12.802 10.505 4.932 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.836 9.997 4.859 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.850 12.489 7.115 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.911 10.767 7.650 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.635 10.771 8.474 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.083 9.091 7.860 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -12.509 8.871 6.509 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.742 7.794 5.835 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.602 9.374 8.972 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.414 7.106 7.257 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.046 11.084 8.761 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.414 8.359 8.031 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.365 9.915 7.458 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.483 8.128 6.267 0.50 0.00 H new ATOM 845 N AASN A 30 -10.751 12.178 4.928 0.50 0.00 N ATOM 846 N BASN A 30 -10.722 11.943 5.568 0.50 0.00 N ATOM 847 CA AASN A 30 -9.441 12.540 4.400 0.50 0.00 C ATOM 848 CA BASN A 30 -9.623 12.888 5.401 0.50 0.00 C ATOM 849 C AASN A 30 -8.339 11.718 5.062 0.50 0.00 C ATOM 850 C BASN A 30 -8.298 12.262 5.826 0.50 0.00 C ATOM 851 O AASN A 30 -7.217 12.191 5.238 0.50 0.00 O ATOM 852 O BASN A 30 -7.433 12.935 6.387 0.50 0.00 O ATOM 853 CB AASN A 30 -9.177 14.033 4.615 0.50 0.00 C ATOM 854 CB BASN A 30 -9.885 14.155 6.219 0.50 0.00 C ATOM 855 CG AASN A 30 -8.351 14.642 3.498 0.50 0.00 C ATOM 856 CG BASN A 30 -9.470 15.413 5.480 0.50 0.00 C ATOM 857 OD1AASN A 30 -8.725 15.663 2.923 0.50 0.00 O ATOM 858 OD1BASN A 30 -10.200 16.405 5.462 0.50 0.00 O ATOM 859 ND2AASN A 30 -7.224 14.014 3.186 0.50 0.00 N ATOM 860 ND2BASN A 30 -8.291 15.379 4.869 0.50 0.00 N ATOM 0 H AASN A 30 -11.477 12.072 4.219 0.50 0.00 H new ATOM 0 H BASN A 30 -11.156 11.642 4.695 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.437 12.325 3.331 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.559 13.150 4.345 0.50 0.00 H new ATOM 0 HB2AASN A 30 -10.128 14.560 4.689 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.945 14.214 6.465 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.660 14.175 5.564 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.342 14.095 7.162 0.50 0.00 H new ATOM 0 HD21AASN A 30 -6.628 14.376 2.442 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.957 16.197 4.358 0.50 0.00 H new ATOM 0 HD22AASN A 30 -6.954 13.170 3.691 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.719 14.535 4.910 0.50 0.00 H new ATOM 873 N AALA A 31 -8.668 10.483 5.425 0.50 0.00 N ATOM 874 N BALA A 31 -8.145 10.970 5.552 0.50 0.00 N ATOM 875 CA AALA A 31 -7.709 9.593 6.065 0.50 0.00 C ATOM 876 CA BALA A 31 -6.926 10.254 5.904 0.50 0.00 C ATOM 877 C AALA A 31 -6.994 8.724 5.036 0.50 0.00 C ATOM 878 C BALA A 31 -6.694 9.074 4.965 0.50 0.00 C ATOM 879 O AALA A 31 -7.584 8.322 4.032 0.50 0.00 O ATOM 880 O BALA A 31 -7.637 8.398 4.556 0.50 0.00 O ATOM 881 CB AALA A 31 -8.405 8.721 7.101 0.50 0.00 C ATOM 882 CB BALA A 31 -6.990 9.778 7.347 0.50 0.00 C ATOM 0 H AALA A 31 -9.593 10.076 5.286 0.50 0.00 H new ATOM 0 H BALA A 31 -8.851 10.399 5.087 0.50 0.00 H new ATOM 0 HA AALA A 31 -6.961 10.208 6.566 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.087 10.941 5.798 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.675 8.061 7.571 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.072 9.245 7.595 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.864 9.354 7.861 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.101 10.637 8.009 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.175 8.122 6.614 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.843 9.111 7.473 0.50 0.00 H new ATOM 893 N ASER A 32 -5.722 8.438 5.289 0.50 0.00 N ATOM 894 N BSER A 32 -5.431 8.832 4.629 0.50 0.00 N ATOM 895 CA ASER A 32 -4.925 7.622 4.380 0.50 0.00 C ATOM 896 CA BSER A 32 -5.075 7.737 3.734 0.50 0.00 C ATOM 897 C ASER A 32 -4.254 6.474 5.129 0.50 0.00 C ATOM 898 C BSER A 32 -4.585 6.527 4.527 0.50 0.00 C ATOM 899 O ASER A 32 -3.772 6.647 6.248 0.50 0.00 O ATOM 900 O BSER A 32 -4.164 6.655 5.676 0.50 0.00 O ATOM 901 CB ASER A 32 -3.866 8.480 3.685 0.50 0.00 C ATOM 902 CB BSER A 32 -3.996 8.184 2.747 0.50 0.00 C ATOM 903 OG ASER A 32 -2.589 8.282 4.267 0.50 0.00 O ATOM 904 OG BSER A 32 -3.285 9.307 3.243 0.50 0.00 O ATOM 0 H ASER A 32 -5.220 8.759 6.117 0.50 0.00 H new ATOM 0 H BSER A 32 -4.637 9.379 4.963 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.593 7.202 3.628 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.968 7.451 3.178 0.50 0.00 H new ATOM 0 HB2ASER A 32 -3.829 8.230 2.625 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.303 7.363 2.564 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.142 9.532 3.755 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.455 8.433 1.790 0.50 0.00 H new ATOM 0 HG ASER A 32 -1.929 8.840 3.805 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.600 9.573 2.595 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.230 5.303 4.502 0.50 0.00 N ATOM 916 N BGLN A 33 -4.643 5.355 3.901 0.50 0.00 N ATOM 917 CA AGLN A 33 -3.621 4.125 5.108 0.50 0.00 C ATOM 918 CA BGLN A 33 -4.204 4.123 4.547 0.50 0.00 C ATOM 919 C AGLN A 33 -3.333 3.059 4.056 0.50 0.00 C ATOM 920 C BGLN A 33 -3.808 3.077 3.511 0.50 0.00 C ATOM 921 O AGLN A 33 -3.860 3.109 2.945 0.50 0.00 O ATOM 922 O BGLN A 33 -4.496 2.890 2.507 0.50 0.00 O ATOM 923 CB AGLN A 33 -4.533 3.555 6.194 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.313 3.573 5.446 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.729 2.793 5.645 0.50 0.00 C ATOM 926 CG BGLN A 33 -4.850 3.260 6.860 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.970 2.959 6.502 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.619 2.114 7.487 0.50 0.00 C ATOM 929 OE1AGLN A 33 -7.461 4.071 6.694 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.044 1.083 7.837 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.483 1.850 7.022 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.928 2.289 7.629 0.50 0.00 N ATOM 0 H AGLN A 33 -4.625 5.144 3.575 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.989 5.233 2.949 0.50 0.00 H new ATOM 0 HA AGLN A 33 -2.676 4.427 5.560 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.330 4.352 5.157 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -3.952 2.891 6.833 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -6.126 4.298 5.491 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -4.890 4.371 6.823 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -5.718 2.667 4.996 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -5.942 3.138 4.633 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -3.788 3.014 6.844 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -5.479 1.734 5.575 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -4.962 4.150 7.480 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.043 0.949 6.836 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -7.362 3.160 7.325 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.317 1.899 7.607 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.499 1.552 8.043 0.50 0.00 H new ATOM 949 N APHE A 34 -2.493 2.093 4.415 0.50 0.00 N ATOM 950 N BPHE A 34 -2.693 2.397 3.761 0.50 0.00 N ATOM 951 CA APHE A 34 -2.134 1.014 3.502 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.205 1.370 2.848 0.50 0.00 C ATOM 953 C APHE A 34 -2.676 -0.323 3.999 0.50 0.00 C ATOM 954 C BPHE A 34 -3.057 0.108 2.943 0.50 0.00 C ATOM 955 O APHE A 34 -1.957 -1.322 4.033 0.50 0.00 O ATOM 956 O BPHE A 34 -3.308 -0.560 1.940 0.50 0.00 O ATOM 957 CB APHE A 34 -0.614 0.934 3.345 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.743 1.037 3.157 0.50 0.00 C ATOM 959 CG APHE A 34 0.067 2.271 3.416 0.50 0.00 C ATOM 960 CG BPHE A 34 0.209 2.147 2.822 0.50 0.00 C ATOM 961 CD1APHE A 34 0.038 3.136 2.333 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.347 2.590 1.516 0.50 0.00 C ATOM 963 CD2APHE A 34 0.735 2.664 4.564 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.967 2.751 3.811 0.50 0.00 C ATOM 965 CE1APHE A 34 0.663 4.366 2.394 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.221 3.612 1.203 0.50 0.00 C ATOM 967 CE2APHE A 34 1.361 3.894 4.632 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.845 3.774 3.504 0.50 0.00 C ATOM 969 CZ APHE A 34 1.326 4.747 3.544 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.973 4.205 2.198 0.50 0.00 C ATOM 0 H APHE A 34 -2.049 2.036 5.331 0.50 0.00 H new ATOM 0 H BPHE A 34 -2.112 2.539 4.587 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.582 1.229 2.532 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.276 1.759 1.832 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.210 0.287 4.124 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.650 0.797 4.216 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.380 0.466 2.389 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.457 0.144 2.601 0.50 0.00 H new ATOM 0 HD1APHE A 34 -0.479 2.845 1.431 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.237 2.130 0.733 0.50 0.00 H new ATOM 0 HD2APHE A 34 0.767 2.001 5.416 0.50 0.00 H new ATOM 0 HD2BPHE A 34 0.871 2.419 4.834 0.50 0.00 H new ATOM 0 HE1APHE A 34 0.633 5.030 1.543 0.50 0.00 H new ATOM 0 HE1BPHE A 34 1.316 3.947 0.181 0.50 0.00 H new ATOM 0 HE2APHE A 34 1.877 4.189 5.534 0.50 0.00 H new ATOM 0 HE2BPHE A 34 2.431 4.236 4.285 0.50 0.00 H new ATOM 0 HZ APHE A 34 1.816 5.708 3.594 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.659 5.003 1.956 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.948 -0.333 4.384 0.50 0.00 N ATOM 990 N BGLU A 35 -3.499 -0.212 4.156 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.586 -1.547 4.881 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.322 -1.395 4.382 0.50 0.00 C ATOM 993 C AGLU A 35 -6.067 -1.569 4.519 0.50 0.00 C ATOM 994 C BGLU A 35 -5.787 -1.104 4.074 0.50 0.00 C ATOM 995 O AGLU A 35 -6.714 -0.526 4.441 0.50 0.00 O ATOM 996 O BGLU A 35 -6.209 0.053 4.049 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.419 -1.652 6.398 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.177 -1.875 5.827 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.162 -2.390 6.823 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.740 -1.899 6.320 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.934 -1.500 6.825 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.326 -0.597 6.979 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -2.053 -0.330 7.246 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -2.679 -0.393 8.159 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -0.857 -1.974 6.409 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -1.654 0.218 6.313 0.50 0.00 O ATOM 0 H AGLU A 35 -4.557 0.485 4.362 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.301 0.331 4.996 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.101 -2.402 4.409 0.50 0.00 H new ATOM 0 HA BGLU A 35 -3.977 -2.181 3.710 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.402 -0.649 6.823 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.764 -1.226 6.477 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.288 -2.161 6.816 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.598 -2.877 5.912 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.308 -2.803 7.821 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.618 -2.716 7.031 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.995 -3.232 6.151 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.075 -2.104 5.481 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.598 -2.768 4.298 0.50 0.00 N ATOM 1020 N BARG A 36 -6.558 -2.161 3.841 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.003 -2.928 3.942 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.976 -2.021 3.533 0.50 0.00 C ATOM 1023 C AARG A 36 -8.900 -2.180 4.921 0.50 0.00 C ATOM 1024 C BARG A 36 -8.808 -1.968 4.811 0.50 0.00 C ATOM 1025 O AARG A 36 -9.057 -2.570 6.079 0.50 0.00 O ATOM 1026 O BARG A 36 -8.922 -2.949 5.547 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.378 -4.412 3.917 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.446 -3.181 2.653 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.697 -4.694 3.216 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.861 -3.009 2.126 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.533 -4.696 1.702 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.545 -4.353 1.921 0.50 0.00 C ATOM 1033 NE AARG A 36 -10.492 -5.582 1.049 0.50 0.00 N ATOM 1034 NE BARG A 36 -12.001 -4.238 1.967 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.798 -5.344 1.002 0.50 0.00 C ATOM 1036 CZ BARG A 36 -12.826 -5.140 1.446 0.50 0.00 C ATOM 1037 NH1AARG A 36 -12.298 -4.253 1.566 0.50 0.00 N ATOM 1038 NH1BARG A 36 -12.340 -6.217 0.846 0.50 0.00 N ATOM 1039 NH2AARG A 36 -12.608 -6.198 0.390 0.50 0.00 N ATOM 1040 NH2BARG A 36 -14.138 -4.966 1.529 0.50 0.00 N ATOM 0 H AARG A 36 -6.076 -3.642 4.359 0.50 0.00 H new ATOM 0 H BARG A 36 -6.224 -3.125 3.860 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.151 -2.507 2.948 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.113 -1.085 2.992 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.585 -4.970 3.420 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.763 -3.286 1.810 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.434 -4.781 4.941 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.390 -4.107 3.226 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.085 -5.659 3.543 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.441 -2.407 2.826 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.431 -3.941 3.503 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.836 -2.464 1.182 0.50 0.00 H new ATOM 0 HD2AARG A 36 -9.659 -3.682 1.322 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.244 -4.770 0.960 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.520 -5.008 1.448 0.50 0.00 H new ATOM 0 HD3BARG A 36 -10.212 -5.051 2.689 0.50 0.00 H new ATOM 0 HE AARG A 36 -10.140 -6.430 0.605 0.50 0.00 H new ATOM 0 HE BARG A 36 -12.406 -3.421 2.424 0.50 0.00 H new ATOM 0 HH11AARG A 36 -11.679 -3.593 2.038 0.50 0.00 H new ATOM 0 HH11BARG A 36 -11.331 -6.355 0.784 0.50 0.00 H new ATOM 0 HH12AARG A 36 -13.301 -4.073 1.528 0.50 0.00 H new ATOM 0 HH12BARG A 36 -12.975 -6.908 0.447 0.50 0.00 H new ATOM 0 HH21AARG A 36 -12.228 -7.039 -0.045 0.50 0.00 H new ATOM 0 HH21BARG A 36 -14.514 -4.139 1.993 0.50 0.00 H new ATOM 0 HH22AARG A 36 -13.611 -6.014 0.355 0.50 0.00 H new ATOM 0 HH22BARG A 36 -14.771 -5.659 1.129 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.506 -1.081 4.449 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.401 -0.797 5.084 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.398 -0.255 5.268 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.231 -0.588 6.273 0.50 0.00 C ATOM 1071 C APRO A 37 -11.713 -0.961 5.583 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.551 -1.350 6.200 0.50 0.00 C ATOM 1073 O APRO A 37 -12.242 -1.706 4.759 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.113 -1.535 5.123 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.649 0.974 4.390 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.487 0.922 6.267 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.435 0.494 2.995 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.351 1.323 4.838 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.366 -0.557 3.079 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.308 0.416 4.250 0.50 0.00 C ATOM 0 HA APRO A 37 -9.960 -0.021 6.238 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.743 -0.949 7.178 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.660 1.358 4.526 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.480 1.157 6.651 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.964 1.785 4.639 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.769 1.448 6.896 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.355 0.083 2.578 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.300 1.219 4.312 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.128 1.312 2.344 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.052 2.368 4.753 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.512 -1.339 2.333 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.509 0.199 3.201 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.375 -0.136 2.910 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.314 0.862 4.298 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.235 -0.720 6.781 0.50 0.00 N ATOM 1096 N BSER A 38 -12.038 -1.792 7.356 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.487 -1.336 7.208 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.288 -2.538 7.423 0.50 0.00 C ATOM 1099 C ASER A 38 -14.555 -0.275 7.459 0.50 0.00 C ATOM 1100 C BSER A 38 -14.478 -1.629 7.135 0.50 0.00 C ATOM 1101 O ASER A 38 -14.275 0.922 7.433 0.50 0.00 O ATOM 1102 O BSER A 38 -15.111 -1.729 6.084 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.267 -2.164 8.476 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.447 -3.185 8.801 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.407 -2.949 8.775 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.391 -2.214 9.831 0.50 0.00 O ATOM 0 H ASER A 38 -11.811 -0.103 7.474 0.50 0.00 H new ATOM 0 H BSER A 38 -11.585 -1.646 8.258 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.831 -1.993 6.409 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.258 -3.320 6.664 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.400 -2.811 8.346 0.50 0.00 H new ATOM 0 HB2BSER A 38 -14.398 -3.716 8.849 0.50 0.00 H new ATOM 0 HB3ASER A 38 -13.048 -1.502 9.313 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.661 -3.925 8.952 0.50 0.00 H new ATOM 0 HG ASER A 38 -14.241 -3.470 9.588 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.497 -2.653 10.701 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.782 -0.728 7.702 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.779 -0.741 8.078 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.875 0.193 7.954 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.893 0.173 7.909 0.50 0.00 C ATOM 1121 C AGLY A 39 -17.042 0.506 9.429 0.50 0.00 C ATOM 1122 C BGLY A 39 -17.038 -0.126 8.856 0.50 0.00 C ATOM 1123 O AGLY A 39 -18.150 0.443 9.962 0.50 0.00 O ATOM 1124 O BGLY A 39 -16.975 -1.120 9.578 0.50 0.00 O ATOM 0 H AGLY A 39 -16.038 -1.715 7.729 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.271 -0.639 8.956 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -16.699 1.119 7.407 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.549 1.194 8.072 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.801 -0.233 7.569 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.252 0.117 6.881 0.50 0.00 H new TER 1131 GLY A 39