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= 0.451 K(o=-1.9,f=-12!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -0.318 K(o=-1.9,f=-12!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.4: A 29 THR OG1B: rot 180:sc= -2.02 USER MOD Set 2.1: A 16 SER OG B: rot 180:sc= 0 USER MOD Set 2.2: A 19 SER OG B: rot 180:sc= 0.00667 USER MOD Set 3.1: A 13 LYS NZ A:NH3+ 157:sc= -0.108 (180deg=-0.44) USER MOD Set 3.2: A 24 TYR OH 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 -29:sc= 0.445 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ -166:sc= -0.0477 (180deg=-0.272) USER MOD Single : A 13 LYS NZ B: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=-0.00696 USER MOD Single : A 18 ASN A: amide:sc= -0.352 X(o=-0.35,f=-0.41) USER MOD Single : A 18 ASN B: amide:sc= -0.794 K(o=-0.79,f=-0.028) USER MOD Single : A 19 SER OG A: rot 58:sc= 0.295 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 165:sc= -0.624 USER MOD Single : A 27 HIS A: no HD1:sc= -1.56 K(o=-1.6,f=-0.36) USER MOD Single : A 27 HIS B: no HD1:sc= -2.4 X(o=-2.4,f=-2.6) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.682 K(o=0.68,f=-0.036) USER MOD Single : A 32 SER OG A: rot 6:sc= -0.0566 USER MOD Single : A 32 SER OG B: rot -129:sc= 0.382 USER MOD Single : A 33 GLN A: amide:sc= -1.22 K(o=-1.2,f=-6.2!) USER MOD Single : A 33 GLN B: amide:sc= -0.0736 K(o=-0.074,f=0.75) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0474 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.174 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -11.266 -4.969 -2.778 0.20 0.00 N ATOM 2 N BSER A 5 -11.763 -5.769 -2.917 0.80 0.00 N ATOM 3 CA ASER A 5 -12.346 -5.223 -3.723 0.20 0.00 C ATOM 4 CA BSER A 5 -12.976 -5.878 -3.719 0.80 0.00 C ATOM 5 C ASER A 5 -13.694 -4.831 -3.126 0.20 0.00 C ATOM 6 C BSER A 5 -14.156 -5.217 -3.014 0.80 0.00 C ATOM 7 O ASER A 5 -14.556 -4.286 -3.814 0.20 0.00 O ATOM 8 O BSER A 5 -14.591 -4.130 -3.392 0.80 0.00 O ATOM 9 CB ASER A 5 -12.365 -6.698 -4.127 0.20 0.00 C ATOM 10 CB BSER A 5 -13.295 -7.348 -4.002 0.80 0.00 C ATOM 11 OG ASER A 5 -13.692 -7.169 -4.281 0.20 0.00 O ATOM 12 OG BSER A 5 -13.258 -8.117 -2.813 0.80 0.00 O ATOM 0 HA ASER A 5 -12.169 -4.614 -4.609 0.20 0.00 H new ATOM 0 HA BSER A 5 -12.804 -5.362 -4.663 0.80 0.00 H new ATOM 0 HB2ASER A 5 -11.819 -6.829 -5.061 0.20 0.00 H new ATOM 0 HB2BSER A 5 -14.281 -7.428 -4.459 0.80 0.00 H new ATOM 0 HB3ASER A 5 -11.851 -7.292 -3.371 0.20 0.00 H new ATOM 0 HB3BSER A 5 -12.578 -7.747 -4.719 0.80 0.00 H new ATOM 0 HG ASER A 5 -13.676 -8.114 -4.541 0.20 0.00 H new ATOM 0 HG BSER A 5 -12.623 -7.716 -2.183 0.80 0.00 H new ATOM 23 N ALYS A 6 -13.870 -5.114 -1.839 0.20 0.00 N ATOM 24 N BLYS A 6 -14.673 -5.884 -1.988 0.80 0.00 N ATOM 25 CA ALYS A 6 -15.110 -4.791 -1.146 0.20 0.00 C ATOM 26 CA BLYS A 6 -15.801 -5.363 -1.226 0.80 0.00 C ATOM 27 C ALYS A 6 -14.870 -3.749 -0.059 0.20 0.00 C ATOM 28 C BLYS A 6 -15.346 -4.297 -0.235 0.80 0.00 C ATOM 29 O ALYS A 6 -14.361 -4.064 1.017 0.20 0.00 O ATOM 30 O BLYS A 6 -15.409 -4.496 0.979 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.717 -6.054 -0.530 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.508 -6.498 -0.483 0.80 0.00 C ATOM 33 CG ALYS A 6 -17.015 -5.802 0.218 0.20 0.00 C ATOM 34 CG BLYS A 6 -17.753 -6.053 0.268 0.80 0.00 C ATOM 35 CD ALYS A 6 -17.427 -7.012 1.041 0.20 0.00 C ATOM 36 CD BLYS A 6 -17.866 -6.741 1.617 0.80 0.00 C ATOM 37 CE ALYS A 6 -18.764 -6.787 1.729 0.20 0.00 C ATOM 38 CE BLYS A 6 -17.976 -8.251 1.464 0.80 0.00 C ATOM 39 NZ ALYS A 6 -19.545 -8.049 1.851 0.20 0.00 N ATOM 40 NZ BLYS A 6 -19.099 -8.638 0.567 0.80 0.00 N ATOM 0 H ALYS A 6 -13.167 -5.567 -1.255 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.328 -6.788 -1.665 0.80 0.00 H new ATOM 0 HA ALYS A 6 -15.807 -4.377 -1.875 0.20 0.00 H new ATOM 0 HA BLYS A 6 -16.499 -4.905 -1.927 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -15.898 -6.783 -1.320 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -16.783 -7.273 -1.198 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -14.994 -6.499 0.154 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -15.810 -6.949 0.223 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -16.897 -4.938 0.872 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -17.726 -4.973 0.411 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -17.804 -5.558 -0.493 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -18.638 -6.274 -0.329 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -17.491 -7.888 0.395 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -16.994 -6.498 2.225 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -16.662 -7.223 1.789 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -18.740 -6.363 2.148 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -18.596 -6.367 2.721 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -17.041 -8.644 1.065 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -19.343 -6.055 1.166 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -18.121 -8.706 2.444 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -20.450 -7.853 2.325 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -19.293 -9.654 0.672 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -19.728 -8.437 0.904 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -19.949 -8.096 0.821 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -19.004 -8.740 2.409 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -18.841 -8.435 -0.420 0.80 0.00 H new ATOM 67 N ALEU A 7 -15.243 -2.506 -0.345 0.20 0.00 N ATOM 68 N BLEU A 7 -14.887 -3.166 -0.760 0.80 0.00 N ATOM 69 CA ALEU A 7 -15.069 -1.416 0.610 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.421 -2.067 0.080 0.80 0.00 C ATOM 71 C ALEU A 7 -16.388 -0.685 0.845 0.20 0.00 C ATOM 72 C BLEU A 7 -15.596 -1.265 0.628 0.80 0.00 C ATOM 73 O ALEU A 7 -17.265 -0.644 -0.017 0.20 0.00 O ATOM 74 O BLEU A 7 -16.658 -1.175 0.014 0.80 0.00 O ATOM 75 CB ALEU A 7 -14.011 -0.434 0.106 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.491 -1.150 -0.715 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.925 -1.021 -0.795 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.001 -1.492 -0.655 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.111 0.088 -1.443 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.774 -2.958 -0.993 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.021 -1.954 -0.001 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.211 -0.598 -1.599 0.80 0.00 C ATOM 0 H ALEU A 7 -15.668 -2.228 -1.230 0.20 0.00 H new ATOM 0 H BLEU A 7 -14.827 -2.986 -1.762 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.737 -1.843 1.556 0.20 0.00 H new ATOM 0 HA BLEU A 7 -13.871 -2.492 0.920 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.515 0.364 -0.439 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.805 -1.163 -1.759 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.530 0.025 0.970 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.624 -0.130 -0.355 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.407 -1.598 -1.584 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.649 -1.316 0.362 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.343 -0.350 -2.081 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.708 -3.182 -0.945 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.767 0.717 -2.045 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.309 -3.583 -0.278 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.639 0.693 -0.669 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.142 -3.161 -1.999 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.253 -2.363 -0.658 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.153 -0.855 -1.543 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.547 -1.399 0.809 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.566 -0.742 -2.619 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.614 -2.768 0.415 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.347 0.445 -1.311 0.80 0.00 H new ATOM 105 N APRO A 8 -16.530 -0.091 2.040 0.20 0.00 N ATOM 106 N BPRO A 8 -15.403 -0.665 1.812 0.80 0.00 N ATOM 107 CA APRO A 8 -17.737 0.652 2.415 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.435 0.143 2.468 0.80 0.00 C ATOM 109 C APRO A 8 -17.878 1.957 1.641 0.20 0.00 C ATOM 110 C BPRO A 8 -16.696 1.454 1.736 0.80 0.00 C ATOM 111 O APRO A 8 -16.989 2.361 0.890 0.20 0.00 O ATOM 112 O BPRO A 8 -15.907 1.896 0.902 0.80 0.00 O ATOM 113 CB APRO A 8 -17.528 0.934 3.906 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.846 0.412 3.855 0.80 0.00 C ATOM 115 CG APRO A 8 -16.051 0.914 4.093 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.372 0.310 3.667 0.80 0.00 C ATOM 117 CD APRO A 8 -15.523 -0.099 3.114 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.161 -0.729 2.603 0.80 0.00 C ATOM 0 HA APRO A 8 -18.646 0.092 2.195 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.399 -0.366 2.491 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.950 1.898 4.189 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.131 1.398 4.222 0.80 0.00 H new ATOM 0 HB3APRO A 8 -18.015 0.179 4.524 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.203 -0.315 4.585 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.621 1.898 3.907 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.950 1.269 3.365 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.791 0.641 5.116 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.879 0.023 4.596 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.536 0.178 2.742 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.285 -0.508 1.994 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.427 -1.085 3.568 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.009 -1.719 3.033 0.80 0.00 H new ATOM 133 N APRO A 9 -19.021 2.635 1.824 0.20 0.00 N ATOM 134 N BPRO A 9 -17.832 2.094 2.055 0.80 0.00 N ATOM 135 CA APRO A 9 -19.304 3.906 1.152 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.222 3.366 1.437 0.80 0.00 C ATOM 137 C APRO A 9 -18.431 5.044 1.670 0.20 0.00 C ATOM 138 C BPRO A 9 -17.332 4.523 1.879 0.80 0.00 C ATOM 139 O APRO A 9 -18.851 5.821 2.527 0.20 0.00 O ATOM 140 O BPRO A 9 -16.882 4.572 3.023 0.80 0.00 O ATOM 141 CB APRO A 9 -20.774 4.164 1.487 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.655 3.575 1.934 0.80 0.00 C ATOM 143 CG APRO A 9 -21.008 3.428 2.762 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.728 2.814 3.213 0.80 0.00 C ATOM 145 CD APRO A 9 -20.123 2.213 2.705 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.822 1.628 3.040 0.80 0.00 C ATOM 0 HA APRO A 9 -19.099 3.856 0.083 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.131 3.337 0.351 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.972 5.230 1.603 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.870 4.632 2.090 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.430 3.802 0.695 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.382 3.205 1.211 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.762 4.050 3.623 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.408 3.431 4.053 0.80 0.00 H new ATOM 0 HG3APRO A 9 -22.056 3.144 2.862 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.750 2.497 3.421 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.762 1.932 3.694 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.350 1.343 3.980 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.652 1.349 2.302 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.367 0.755 2.680 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.214 5.137 1.143 0.20 0.00 N ATOM 162 N BGLY A 10 -17.079 5.453 0.963 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.302 6.184 1.563 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.243 6.595 1.277 0.80 0.00 C ATOM 165 C AGLY A 10 -14.863 5.881 1.196 0.20 0.00 C ATOM 166 C BGLY A 10 -14.790 6.370 0.910 0.80 0.00 C ATOM 167 O AGLY A 10 -14.038 6.790 1.095 0.20 0.00 O ATOM 168 O BGLY A 10 -14.075 7.312 0.568 0.80 0.00 O ATOM 0 H AGLY A 10 -16.844 4.506 0.433 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.439 5.435 0.009 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.600 7.127 1.104 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.617 7.471 0.747 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.378 6.317 2.642 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.316 6.812 2.343 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.561 4.605 0.997 0.20 0.00 N ATOM 176 N BTRP A 11 -14.351 5.118 0.983 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.211 4.184 0.640 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.972 4.772 0.656 0.80 0.00 C ATOM 179 C ATRP A 11 -13.138 3.777 -0.827 0.20 0.00 C ATOM 180 C BTRP A 11 -12.823 4.471 -0.832 0.80 0.00 C ATOM 181 O ATRP A 11 -13.956 2.990 -1.303 0.20 0.00 O ATOM 182 O BTRP A 11 -13.729 3.918 -1.454 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.765 3.022 1.528 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.519 3.566 1.481 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.309 3.455 2.889 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.540 3.816 2.958 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.006 3.347 4.058 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.617 3.713 3.791 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.058 4.066 3.221 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.434 4.210 3.776 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.263 3.854 5.097 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.247 4.021 5.078 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.064 4.301 4.609 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.912 4.328 5.096 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.933 4.436 2.479 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.085 4.473 3.523 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -9.988 4.889 5.268 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.089 4.699 6.156 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.866 5.021 3.135 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.269 4.842 4.577 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.898 5.243 4.517 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.773 4.952 5.880 0.80 0.00 C ATOM 0 H ATRP A 11 -15.233 3.842 1.077 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.929 4.327 1.265 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.540 5.029 0.797 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.342 5.628 0.898 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.591 2.319 1.636 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.164 2.717 1.254 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.954 2.487 1.034 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.509 3.288 1.181 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -13.996 2.925 4.152 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.613 3.431 3.484 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.557 3.891 6.073 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.866 4.021 5.889 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.898 4.268 1.413 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.687 4.390 2.523 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.012 5.060 6.334 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.476 4.784 7.161 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.992 5.312 2.571 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.225 5.049 4.393 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.048 5.702 5.000 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.110 5.242 6.682 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.153 4.314 -1.538 0.20 0.00 N ATOM 224 N BGLU A 12 -11.675 4.841 -1.393 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.975 4.006 -2.952 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.412 4.609 -2.808 0.80 0.00 C ATOM 227 C AGLU A 12 -10.563 3.495 -3.226 0.20 0.00 C ATOM 228 C BGLU A 12 -10.012 4.036 -3.014 0.80 0.00 C ATOM 229 O AGLU A 12 -9.642 3.734 -2.442 0.20 0.00 O ATOM 230 O BGLU A 12 -9.052 4.464 -2.369 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.255 5.244 -3.808 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.563 5.911 -3.598 0.80 0.00 C ATOM 233 CG AGLU A 12 -11.133 6.268 -3.783 0.20 0.00 C ATOM 234 CG BGLU A 12 -11.424 5.732 -5.100 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.529 6.505 -5.153 0.20 0.00 C ATOM 236 CD BGLU A 12 -12.041 4.437 -5.593 0.80 0.00 C ATOM 237 OE1AGLU A 12 -10.543 5.568 -5.977 0.20 0.00 O ATOM 238 OE1BGLU A 12 -11.327 3.656 -6.257 0.80 0.00 O ATOM 239 OE2AGLU A 12 -10.042 7.629 -5.401 0.20 0.00 O ATOM 240 OE2BGLU A 12 -13.236 4.206 -5.315 0.80 0.00 O ATOM 0 H AGLU A 12 -11.465 4.965 -1.158 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.915 5.301 -0.891 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.685 3.222 -3.217 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.140 3.885 -3.173 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.427 4.932 -4.838 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -12.539 6.346 -3.381 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -13.174 5.716 -3.460 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.813 6.623 -3.255 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.515 7.210 -3.391 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -11.898 6.572 -5.608 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.354 5.931 -3.100 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -10.368 5.752 -5.368 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.400 2.792 -4.340 0.20 0.00 N ATOM 254 N BLYS A 13 -9.902 3.066 -3.913 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.100 2.247 -4.718 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.620 2.435 -4.207 0.80 0.00 C ATOM 257 C ALYS A 13 -8.311 3.253 -5.552 0.20 0.00 C ATOM 258 C BLYS A 13 -7.823 3.259 -5.213 0.80 0.00 C ATOM 259 O ALYS A 13 -8.797 3.747 -6.569 0.20 0.00 O ATOM 260 O BLYS A 13 -8.324 3.600 -6.284 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.279 0.946 -5.503 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.837 1.020 -4.748 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.203 -0.087 -5.218 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.562 0.352 -5.233 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.594 -1.459 -5.745 0.20 0.00 C ATOM 266 CD BLYS A 13 -7.852 -0.985 -5.896 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.925 -2.572 -4.954 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.071 -2.082 -4.865 0.80 0.00 C ATOM 269 NZ ALYS A 13 -8.431 -2.641 -3.554 0.20 0.00 N ATOM 270 NZ BLYS A 13 -9.190 -2.985 -5.246 0.80 0.00 N ATOM 0 H ALYS A 13 -11.151 2.585 -4.998 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.686 2.698 -4.452 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.541 2.039 -3.806 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.051 2.380 -3.279 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.253 0.519 -5.266 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.284 0.406 -3.966 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.281 1.172 -6.569 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.552 1.060 -5.570 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.265 0.227 -5.677 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.053 1.007 -5.940 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -8.028 -0.145 -4.144 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -6.885 0.203 -4.392 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.677 -1.575 -5.693 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.736 -0.895 -6.527 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.315 -1.539 -6.796 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.022 -1.257 -6.548 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -8.100 -3.526 -5.451 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -7.156 -2.664 -4.754 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -6.847 -2.412 -4.943 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.282 -1.632 -3.895 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -8.272 -3.596 -3.174 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -9.307 -3.719 -4.518 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -7.926 -1.946 -2.968 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -10.068 -2.434 -5.327 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -9.449 -2.429 -3.542 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -8.978 -3.434 -6.160 0.80 0.00 H new ATOM 297 N AARG A 14 -7.092 3.547 -5.116 0.20 0.00 N ATOM 298 N BARG A 14 -6.581 3.575 -4.860 0.80 0.00 N ATOM 299 CA AARG A 14 -6.234 4.493 -5.823 0.20 0.00 C ATOM 300 CA BARG A 14 -5.715 4.359 -5.733 0.80 0.00 C ATOM 301 C AARG A 14 -4.850 3.897 -6.061 0.20 0.00 C ATOM 302 C BARG A 14 -4.405 3.624 -6.000 0.80 0.00 C ATOM 303 O AARG A 14 -4.459 2.929 -5.412 0.20 0.00 O ATOM 304 O BARG A 14 -4.097 2.627 -5.350 0.80 0.00 O ATOM 305 CB AARG A 14 -6.113 5.794 -5.030 0.20 0.00 C ATOM 306 CB BARG A 14 -5.430 5.726 -5.108 0.80 0.00 C ATOM 307 CG AARG A 14 -6.817 6.974 -5.681 0.20 0.00 C ATOM 308 CG BARG A 14 -6.684 6.507 -4.754 0.80 0.00 C ATOM 309 CD AARG A 14 -6.121 8.286 -5.358 0.20 0.00 C ATOM 310 CD BARG A 14 -7.188 7.320 -5.938 0.80 0.00 C ATOM 311 NE AARG A 14 -6.094 9.189 -6.505 0.20 0.00 N ATOM 312 NE BARG A 14 -6.180 8.259 -6.424 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.305 9.014 -7.559 0.20 0.00 C ATOM 314 CZ BARG A 14 -6.221 8.822 -7.627 0.80 0.00 C ATOM 315 NH1AARG A 14 -4.482 7.976 -7.609 0.20 0.00 N ATOM 316 NH1BARG A 14 -7.211 8.541 -8.462 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.336 9.879 -8.565 0.20 0.00 N ATOM 318 NH2BARG A 14 -5.266 9.666 -7.998 0.80 0.00 N ATOM 0 H AARG A 14 -6.675 3.145 -4.277 0.20 0.00 H new ATOM 0 H BARG A 14 -6.152 3.300 -3.976 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.689 4.707 -6.790 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.230 4.503 -6.683 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.526 5.641 -4.033 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.833 5.587 -4.207 0.80 0.00 H new ATOM 0 HB3AARG A 14 -5.058 6.036 -4.905 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.829 6.315 -5.801 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.844 6.832 -6.761 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.463 5.818 -4.427 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.851 7.016 -5.339 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.475 7.173 -3.917 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.631 8.772 -4.526 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.475 6.646 -6.745 0.80 0.00 H new ATOM 0 HD3AARG A 14 -5.101 8.084 -5.032 0.20 0.00 H new ATOM 0 HD3BARG A 14 -8.084 7.868 -5.647 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.715 9.998 -6.496 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.403 8.495 -5.807 0.80 0.00 H new ATOM 0 HH11AARG A 14 -4.454 7.310 -6.837 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.945 7.891 -8.182 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.877 7.843 -8.419 0.20 0.00 H new ATOM 0 HH12BARG A 14 -7.239 8.975 -9.385 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.967 10.680 -8.530 0.20 0.00 H new ATOM 0 HH21BARG A 14 -4.500 9.882 -7.360 0.80 0.00 H new ATOM 0 HH22AARG A 14 -4.729 9.743 -9.374 0.20 0.00 H new ATOM 0 HH22BARG A 14 -5.298 10.098 -8.921 0.80 0.00 H new ATOM 345 N AMET A 15 -4.112 4.487 -6.997 0.20 0.00 N ATOM 346 N BMET A 15 -3.637 4.127 -6.962 0.80 0.00 N ATOM 347 CA AMET A 15 -2.771 4.015 -7.320 0.20 0.00 C ATOM 348 CA BMET A 15 -2.361 3.519 -7.315 0.80 0.00 C ATOM 349 C AMET A 15 -1.753 5.142 -7.188 0.20 0.00 C ATOM 350 C BMET A 15 -1.269 4.580 -7.440 0.80 0.00 C ATOM 351 O AMET A 15 -2.118 6.309 -7.054 0.20 0.00 O ATOM 352 O BMET A 15 -1.431 5.568 -8.156 0.80 0.00 O ATOM 353 CB AMET A 15 -2.736 3.445 -8.741 0.20 0.00 C ATOM 354 CB BMET A 15 -2.485 2.742 -8.628 0.80 0.00 C ATOM 355 CG AMET A 15 -2.172 2.035 -8.815 0.20 0.00 C ATOM 356 CG BMET A 15 -1.186 2.094 -9.076 0.80 0.00 C ATOM 357 SD AMET A 15 -1.969 1.459 -10.513 0.20 0.00 S ATOM 358 SD BMET A 15 -1.222 0.296 -8.937 0.80 0.00 S ATOM 359 CE AMET A 15 -0.514 0.428 -10.346 0.20 0.00 C ATOM 360 CE BMET A 15 0.130 -0.156 -10.022 0.80 0.00 C ATOM 0 H AMET A 15 -4.420 5.291 -7.544 0.20 0.00 H new ATOM 0 H BMET A 15 -3.877 4.953 -7.510 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.510 3.227 -6.613 0.20 0.00 H new ATOM 0 HA BMET A 15 -2.084 2.829 -6.518 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.747 3.445 -9.149 0.20 0.00 H new ATOM 0 HB2BMET A 15 -3.246 1.970 -8.513 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.137 4.101 -9.373 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.832 3.418 -9.409 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.208 2.006 -8.307 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.985 2.370 -10.111 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.834 1.354 -8.281 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.364 2.484 -8.476 0.80 0.00 H new ATOM 0 HE1AMET A 15 -0.260 -0.002 -11.315 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.234 -1.241 -10.041 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.320 1.031 -9.987 0.20 0.00 H new ATOM 0 HE2BMET A 15 -0.075 0.207 -11.029 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.715 -0.373 -9.635 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.055 0.290 -9.656 0.80 0.00 H new ATOM 379 N ASER A 16 -0.473 4.784 -7.225 0.20 0.00 N ATOM 380 N BSER A 16 -0.161 4.366 -6.739 0.80 0.00 N ATOM 381 CA ASER A 16 0.600 5.765 -7.103 0.20 0.00 C ATOM 382 CA BSER A 16 0.955 5.306 -6.770 0.80 0.00 C ATOM 383 C ASER A 16 1.503 5.736 -8.333 0.20 0.00 C ATOM 384 C BSER A 16 1.449 5.517 -8.196 0.80 0.00 C ATOM 385 O ASER A 16 1.858 4.668 -8.832 0.20 0.00 O ATOM 386 O BSER A 16 1.089 4.771 -9.107 0.80 0.00 O ATOM 387 CB ASER A 16 1.424 5.498 -5.843 0.20 0.00 C ATOM 388 CB BSER A 16 2.098 4.801 -5.889 0.80 0.00 C ATOM 389 OG ASER A 16 0.994 4.314 -5.194 0.20 0.00 O ATOM 390 OG BSER A 16 2.917 5.871 -5.453 0.80 0.00 O ATOM 0 H ASER A 16 -0.154 3.822 -7.338 0.20 0.00 H new ATOM 0 H BSER A 16 -0.011 3.552 -6.143 0.80 0.00 H new ATOM 0 HA ASER A 16 0.149 6.754 -7.028 0.20 0.00 H new ATOM 0 HA BSER A 16 0.604 6.262 -6.383 0.80 0.00 H new ATOM 0 HB2ASER A 16 2.478 5.410 -6.106 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.691 4.276 -5.025 0.80 0.00 H new ATOM 0 HB3ASER A 16 1.335 6.343 -5.161 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.699 4.082 -6.445 0.80 0.00 H new ATOM 0 HG ASER A 16 1.537 4.165 -4.392 0.20 0.00 H new ATOM 0 HG BSER A 16 3.639 5.522 -4.890 0.80 0.00 H new ATOM 401 N AARG A 17 1.872 6.917 -8.816 0.20 0.00 N ATOM 402 N BARG A 17 2.277 6.539 -8.384 0.80 0.00 N ATOM 403 CA AARG A 17 2.734 7.029 -9.987 0.20 0.00 C ATOM 404 CA BARG A 17 2.822 6.850 -9.700 0.80 0.00 C ATOM 405 C AARG A 17 4.175 7.314 -9.577 0.20 0.00 C ATOM 406 C BARG A 17 4.345 6.763 -9.693 0.80 0.00 C ATOM 407 O AARG A 17 4.954 7.872 -10.349 0.20 0.00 O ATOM 408 O BARG A 17 4.966 6.505 -10.722 0.80 0.00 O ATOM 409 CB AARG A 17 2.228 8.137 -10.914 0.20 0.00 C ATOM 410 CB BARG A 17 2.382 8.248 -10.140 0.80 0.00 C ATOM 411 CG AARG A 17 2.261 9.521 -10.287 0.20 0.00 C ATOM 412 CG BARG A 17 2.806 8.602 -11.556 0.80 0.00 C ATOM 413 CD AARG A 17 2.621 10.588 -11.308 0.20 0.00 C ATOM 414 CD BARG A 17 3.399 10.000 -11.626 0.80 0.00 C ATOM 415 NE AARG A 17 3.961 10.394 -11.853 0.20 0.00 N ATOM 416 NE BARG A 17 4.561 10.146 -10.754 0.80 0.00 N ATOM 417 CZ AARG A 17 5.073 10.710 -11.200 0.20 0.00 C ATOM 418 CZ BARG A 17 5.473 11.102 -10.897 0.80 0.00 C ATOM 419 NH1AARG A 17 5.006 11.233 -9.983 0.20 0.00 N ATOM 420 NH1BARG A 17 5.358 11.991 -11.874 0.80 0.00 N ATOM 421 NH2AARG A 17 6.256 10.505 -11.764 0.20 0.00 N ATOM 422 NH2BARG A 17 6.502 11.169 -10.062 0.80 0.00 N ATOM 0 H AARG A 17 1.588 7.811 -8.415 0.20 0.00 H new ATOM 0 H BARG A 17 2.585 7.166 -7.641 0.80 0.00 H new ATOM 0 HA AARG A 17 2.707 6.078 -10.519 0.20 0.00 H new ATOM 0 HA BARG A 17 2.437 6.116 -10.408 0.80 0.00 H new ATOM 0 HB2AARG A 17 2.833 8.144 -11.821 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.297 8.318 -10.066 0.80 0.00 H new ATOM 0 HB3AARG A 17 1.206 7.908 -11.215 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.796 8.984 -9.451 0.80 0.00 H new ATOM 0 HG2AARG A 17 1.288 9.747 -9.851 0.20 0.00 H new ATOM 0 HG2BARG A 17 3.539 7.877 -11.910 0.80 0.00 H new ATOM 0 HG3AARG A 17 2.986 9.536 -9.473 0.20 0.00 H new ATOM 0 HG3BARG A 17 1.945 8.537 -12.222 0.80 0.00 H new ATOM 0 HD2AARG A 17 1.894 10.573 -12.120 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.687 10.220 -12.654 0.80 0.00 H new ATOM 0 HD3AARG A 17 2.558 11.571 -10.842 0.20 0.00 H new ATOM 0 HD3BARG A 17 2.640 10.730 -11.344 0.80 0.00 H new ATOM 0 HE AARG A 17 4.048 9.994 -12.787 0.20 0.00 H new ATOM 0 HE BARG A 17 4.679 9.477 -9.993 0.80 0.00 H new ATOM 0 HH11AARG A 17 4.098 11.393 -9.546 0.20 0.00 H new ATOM 0 HH11BARG A 17 4.568 11.942 -12.518 0.80 0.00 H new ATOM 0 HH12AARG A 17 5.862 11.475 -9.484 0.20 0.00 H new ATOM 0 HH12BARG A 17 6.059 12.724 -11.982 0.80 0.00 H new ATOM 0 HH21AARG A 17 6.312 10.104 -12.700 0.20 0.00 H new ATOM 0 HH21BARG A 17 6.594 10.486 -9.310 0.80 0.00 H new ATOM 0 HH22AARG A 17 7.110 10.748 -11.261 0.20 0.00 H new ATOM 0 HH22BARG A 17 7.202 11.903 -10.173 0.80 0.00 H new ATOM 449 N AASN A 18 4.523 6.927 -8.354 0.20 0.00 N ATOM 450 N BASN A 18 4.939 6.984 -8.525 0.80 0.00 N ATOM 451 CA AASN A 18 5.871 7.142 -7.839 0.20 0.00 C ATOM 452 CA BASN A 18 6.391 6.931 -8.383 0.80 0.00 C ATOM 453 C AASN A 18 6.311 5.975 -6.961 0.20 0.00 C ATOM 454 C BASN A 18 6.874 5.489 -8.273 0.80 0.00 C ATOM 455 O AASN A 18 7.028 6.158 -5.977 0.20 0.00 O ATOM 456 O BASN A 18 7.767 5.066 -9.010 0.80 0.00 O ATOM 457 CB AASN A 18 5.935 8.446 -7.043 0.20 0.00 C ATOM 458 CB BASN A 18 6.831 7.724 -7.151 0.80 0.00 C ATOM 459 CG AASN A 18 7.356 8.853 -6.709 0.20 0.00 C ATOM 460 CG BASN A 18 8.308 8.068 -7.183 0.80 0.00 C ATOM 461 OD1AASN A 18 7.752 8.874 -5.542 0.20 0.00 O ATOM 462 OD1BASN A 18 8.683 9.230 -7.350 0.80 0.00 O ATOM 463 ND2AASN A 18 8.134 9.179 -7.735 0.20 0.00 N ATOM 464 ND2BASN A 18 9.155 7.058 -7.026 0.80 0.00 N ATOM 0 H AASN A 18 3.891 6.463 -7.701 0.20 0.00 H new ATOM 0 H BASN A 18 4.439 7.201 -7.663 0.80 0.00 H new ATOM 0 HA AASN A 18 6.550 7.210 -8.689 0.20 0.00 H new ATOM 0 HA BASN A 18 6.836 7.377 -9.273 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.458 9.241 -7.616 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.248 8.643 -7.086 0.80 0.00 H new ATOM 0 HB3AASN A 18 5.366 8.333 -6.120 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.615 7.145 -6.253 0.80 0.00 H new ATOM 0 HD21AASN A 18 9.101 9.461 -7.573 0.20 0.00 H new ATOM 0 HD21BASN A 18 10.161 7.229 -7.041 0.80 0.00 H new ATOM 0 HD22AASN A 18 7.765 9.148 -8.685 0.20 0.00 H new ATOM 0 HD22BASN A 18 8.800 6.111 -6.890 0.80 0.00 H new ATOM 477 N ASER A 19 5.876 4.771 -7.323 0.20 0.00 N ATOM 478 N BSER A 19 6.281 4.739 -7.350 0.80 0.00 N ATOM 479 CA ASER A 19 6.221 3.573 -6.566 0.20 0.00 C ATOM 480 CA BSER A 19 6.653 3.345 -7.143 0.80 0.00 C ATOM 481 C ASER A 19 5.640 2.327 -7.228 0.20 0.00 C ATOM 482 C BSER A 19 5.613 2.408 -7.747 0.80 0.00 C ATOM 483 O ASER A 19 6.374 1.426 -7.632 0.20 0.00 O ATOM 484 O BSER A 19 5.882 1.711 -8.725 0.80 0.00 O ATOM 485 CB ASER A 19 5.709 3.688 -5.129 0.20 0.00 C ATOM 486 CB BSER A 19 6.810 3.055 -5.649 0.80 0.00 C ATOM 487 OG ASER A 19 6.777 3.898 -4.223 0.20 0.00 O ATOM 488 OG BSER A 19 5.632 3.392 -4.937 0.80 0.00 O ATOM 0 H ASER A 19 5.284 4.600 -8.136 0.20 0.00 H new ATOM 0 H BSER A 19 5.541 5.074 -6.733 0.80 0.00 H new ATOM 0 HA ASER A 19 7.307 3.482 -6.551 0.20 0.00 H new ATOM 0 HA BSER A 19 7.606 3.171 -7.643 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.000 4.512 -5.057 0.20 0.00 H new ATOM 0 HB2BSER A 19 7.038 1.999 -5.502 0.80 0.00 H new ATOM 0 HB3ASER A 19 5.171 2.780 -4.858 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.653 3.621 -5.252 0.80 0.00 H new ATOM 0 HG ASER A 19 7.265 4.709 -4.475 0.20 0.00 H new ATOM 0 HG BSER A 19 5.758 3.196 -3.985 0.80 0.00 H new ATOM 499 N AGLY A 20 4.316 2.286 -7.336 0.20 0.00 N ATOM 500 N BGLY A 20 4.421 2.398 -7.160 0.80 0.00 N ATOM 501 CA AGLY A 20 3.657 1.145 -7.948 0.20 0.00 C ATOM 502 CA BGLY A 20 3.357 1.545 -7.653 0.80 0.00 C ATOM 503 C AGLY A 20 2.674 0.470 -7.010 0.20 0.00 C ATOM 504 C BGLY A 20 2.698 0.740 -6.549 0.80 0.00 C ATOM 505 O AGLY A 20 1.655 -0.061 -7.450 0.20 0.00 O ATOM 506 O BGLY A 20 2.262 -0.390 -6.770 0.80 0.00 O ATOM 0 H AGLY A 20 3.688 3.021 -7.011 0.20 0.00 H new ATOM 0 H BGLY A 20 4.173 2.967 -6.350 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.132 1.471 -8.846 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.605 2.158 -8.149 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.409 0.421 -8.263 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.760 0.865 -8.403 0.80 0.00 H new ATOM 513 N AARG A 21 2.984 0.491 -5.719 0.20 0.00 N ATOM 514 N BARG A 21 2.626 1.323 -5.357 0.80 0.00 N ATOM 515 CA AARG A 21 2.122 -0.127 -4.718 0.20 0.00 C ATOM 516 CA BARG A 21 2.020 0.653 -4.213 0.80 0.00 C ATOM 517 C AARG A 21 0.711 0.447 -4.788 0.20 0.00 C ATOM 518 C BARG A 21 0.544 1.018 -4.091 0.80 0.00 C ATOM 519 O AARG A 21 0.418 1.307 -5.618 0.20 0.00 O ATOM 520 O BARG A 21 0.189 2.194 -3.997 0.80 0.00 O ATOM 521 CB AARG A 21 2.699 0.083 -3.316 0.20 0.00 C ATOM 522 CB BARG A 21 2.757 1.025 -2.926 0.80 0.00 C ATOM 523 CG AARG A 21 4.159 -0.325 -3.193 0.20 0.00 C ATOM 524 CG BARG A 21 3.724 -0.043 -2.447 0.80 0.00 C ATOM 525 CD AARG A 21 4.992 0.775 -2.552 0.20 0.00 C ATOM 526 CD BARG A 21 4.907 0.564 -1.709 0.80 0.00 C ATOM 527 NE AARG A 21 4.361 1.306 -1.347 0.20 0.00 N ATOM 528 NE BARG A 21 4.486 1.569 -0.736 0.80 0.00 N ATOM 529 CZ AARG A 21 4.282 0.636 -0.202 0.20 0.00 C ATOM 530 CZ BARG A 21 3.855 1.278 0.395 0.80 0.00 C ATOM 531 NH1AARG A 21 4.791 -0.585 -0.108 0.20 0.00 N ATOM 532 NH1BARG A 21 3.573 0.017 0.695 0.80 0.00 N ATOM 533 NH2AARG A 21 3.693 1.186 0.852 0.20 0.00 N ATOM 534 NH2BARG A 21 3.504 2.248 1.229 0.80 0.00 N ATOM 0 H AARG A 21 3.824 0.928 -5.341 0.20 0.00 H new ATOM 0 H BARG A 21 2.980 2.259 -5.158 0.80 0.00 H new ATOM 0 HA AARG A 21 2.073 -1.196 -4.927 0.20 0.00 H new ATOM 0 HA BARG A 21 2.100 -0.423 -4.369 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.600 1.134 -3.045 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.305 1.953 -3.087 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.109 -0.488 -2.600 0.20 0.00 H new ATOM 0 HB3BARG A 21 2.025 1.219 -2.142 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.235 -1.235 -2.597 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.202 -0.739 -1.790 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.558 -0.557 -4.181 0.20 0.00 H new ATOM 0 HG3BARG A 21 4.083 -0.619 -3.300 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.979 0.384 -2.303 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.460 -0.225 -1.199 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.141 1.582 -3.269 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.589 1.018 -2.428 0.80 0.00 H new ATOM 0 HE AARG A 21 3.959 2.243 -1.386 0.20 0.00 H new ATOM 0 HE BARG A 21 4.688 2.548 -0.937 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.244 -1.012 -0.916 0.20 0.00 H new ATOM 0 HH11BARG A 21 3.841 -0.731 0.056 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.729 -1.097 0.772 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.088 -0.204 1.565 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.300 2.125 0.784 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.719 3.219 1.002 0.80 0.00 H new ATOM 0 HH22AARG A 21 3.633 0.670 1.730 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.019 2.023 2.098 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.164 -0.036 -3.910 0.20 0.00 N ATOM 562 N BVAL A 22 -0.315 0.003 -4.093 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.546 0.428 -3.871 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.752 0.216 -3.982 0.80 0.00 C ATOM 565 C AVAL A 22 -1.988 0.718 -2.442 0.20 0.00 C ATOM 566 C BVAL A 22 -2.141 0.609 -2.560 0.80 0.00 C ATOM 567 O AVAL A 22 -1.323 0.324 -1.484 0.20 0.00 O ATOM 568 O BVAL A 22 -1.648 0.035 -1.589 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.503 -0.604 -4.496 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.541 -1.044 -4.387 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.400 -0.581 -6.012 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.032 -0.833 -4.174 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.211 -1.996 -3.954 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.246 -1.412 -5.834 0.80 0.00 C ATOM 0 H AVAL A 22 0.061 -0.749 -3.216 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.039 -0.976 -4.170 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.588 1.348 -4.454 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.004 1.028 -4.664 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.524 -0.338 -4.223 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.223 -1.871 -3.753 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.084 -1.317 -6.434 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.572 -1.734 -4.466 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.663 0.411 -6.380 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.223 -0.620 -3.122 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.380 -0.820 -6.311 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.371 0.006 -4.781 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.896 -2.713 -4.406 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -2.811 -2.304 -6.105 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.185 -2.273 -4.195 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.536 -0.587 -6.485 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.343 -2.000 -2.872 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.180 -1.609 -5.949 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.115 1.409 -2.307 0.20 0.00 N ATOM 594 N BTYR A 23 -3.029 1.591 -2.445 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.648 1.754 -0.994 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.482 2.061 -1.142 0.80 0.00 C ATOM 597 C ATYR A 23 -5.082 2.261 -1.103 0.20 0.00 C ATOM 598 C BTYR A 23 -4.940 2.511 -1.203 0.80 0.00 C ATOM 599 O ATYR A 23 -5.671 2.265 -2.184 0.20 0.00 O ATOM 600 O BTYR A 23 -5.557 2.515 -2.268 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.768 2.813 -0.326 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.601 3.215 -0.658 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.436 3.979 -1.229 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.642 4.428 -1.559 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.350 5.004 -1.439 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.550 5.456 -1.332 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.208 4.058 -1.873 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.774 4.547 -2.638 0.80 0.00 C ATOM 609 CE1ATYR A 23 -3.052 6.072 -2.262 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.592 6.565 -2.152 0.80 0.00 C ATOM 611 CE2ATYR A 23 -0.899 5.122 -2.697 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.808 5.654 -3.463 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.824 6.125 -2.889 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.719 6.661 -3.216 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.521 7.187 -3.712 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.755 7.766 -4.037 0.80 0.00 O ATOM 0 H ATYR A 23 -3.677 1.741 -3.091 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.449 2.076 -3.238 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.648 0.852 -0.381 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.404 1.233 -0.438 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.275 3.186 0.564 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.917 3.506 0.344 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.841 2.346 0.007 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.571 2.866 -0.579 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -4.312 4.965 -0.949 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.234 5.385 -0.499 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.481 3.273 -1.727 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -1.061 3.760 -2.835 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.775 6.860 -2.414 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.305 7.354 -1.962 0.80 0.00 H new ATOM 0 HE2ATYR A 23 0.062 5.168 -3.188 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.126 5.731 -4.297 0.80 0.00 H new ATOM 0 HH ATYR A 23 -0.618 7.073 -4.074 0.20 0.00 H new ATOM 0 HH BTYR A 23 -2.074 7.676 -4.736 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.637 2.689 0.024 0.20 0.00 N ATOM 636 N BTYR A 24 -5.480 2.893 -0.052 0.80 0.00 N ATOM 637 CA ATYR A 24 -7.004 3.198 0.058 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.866 3.344 0.027 0.80 0.00 C ATOM 639 C ATYR A 24 -7.023 4.687 0.391 0.20 0.00 C ATOM 640 C BTYR A 24 -6.950 4.743 0.629 0.80 0.00 C ATOM 641 O ATYR A 24 -6.154 5.186 1.107 0.20 0.00 O ATOM 642 O BTYR A 24 -6.267 5.054 1.605 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.834 2.424 1.084 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.695 2.367 0.862 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.621 0.928 1.029 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.421 0.915 0.544 0.80 0.00 C ATOM 647 CD1ATYR A 24 -8.446 0.118 0.262 0.20 0.00 C ATOM 648 CD1BTYR A 24 -7.868 0.345 -0.641 0.80 0.00 C ATOM 649 CD2ATYR A 24 -6.596 0.326 1.750 0.20 0.00 C ATOM 650 CD2BTYR A 24 -6.716 0.110 1.430 0.80 0.00 C ATOM 651 CE1ATYR A 24 -8.257 -1.251 0.210 0.20 0.00 C ATOM 652 CE1BTYR A 24 -7.621 -0.980 -0.937 0.80 0.00 C ATOM 653 CE2ATYR A 24 -6.397 -1.040 1.702 0.20 0.00 C ATOM 654 CE2BTYR A 24 -6.462 -1.216 1.144 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.230 -1.824 0.931 0.20 0.00 C ATOM 656 CZ BTYR A 24 -6.916 -1.759 -0.040 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.037 -3.186 0.882 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.668 -3.081 -0.330 0.80 0.00 O ATOM 0 H ATYR A 24 -5.162 2.694 0.927 0.20 0.00 H new ATOM 0 H BTYR A 24 -4.982 2.900 0.838 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.440 3.060 -0.931 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.268 3.379 -0.985 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.586 2.781 2.084 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.493 2.543 1.919 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.890 2.639 0.921 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.753 2.572 0.701 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -9.250 0.564 -0.304 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -8.420 0.951 -1.345 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -5.945 0.937 2.358 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -6.360 0.529 2.359 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -8.909 -1.867 -0.391 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -7.977 -1.405 -1.864 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -5.594 -1.492 2.265 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -5.910 -1.826 1.844 0.80 0.00 H new ATOM 0 HH ATYR A 24 -6.151 -3.404 1.240 0.20 0.00 H new ATOM 0 HH BTYR A 24 -6.160 -3.487 0.403 0.80 0.00 H new ATOM 677 N APHE A 25 -8.018 5.392 -0.133 0.20 0.00 N ATOM 678 N BPHE A 25 -7.791 5.586 0.039 0.80 0.00 N ATOM 679 CA APHE A 25 -8.153 6.823 0.106 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.966 6.953 0.516 0.80 0.00 C ATOM 681 C APHE A 25 -9.564 7.167 0.579 0.20 0.00 C ATOM 682 C BPHE A 25 -9.447 7.292 0.663 0.80 0.00 C ATOM 683 O APHE A 25 -10.550 6.814 -0.067 0.20 0.00 O ATOM 684 O BPHE A 25 -10.281 6.829 -0.112 0.80 0.00 O ATOM 685 CB APHE A 25 -7.825 7.607 -1.164 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.298 7.939 -0.444 0.80 0.00 C ATOM 687 CG APHE A 25 -7.723 9.091 -0.946 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.625 9.375 -0.152 0.80 0.00 C ATOM 689 CD1APHE A 25 -8.542 9.965 -1.643 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.616 10.032 -0.862 0.80 0.00 C ATOM 691 CD2APHE A 25 -6.811 9.609 -0.041 0.20 0.00 C ATOM 692 CD2BPHE A 25 -6.942 10.069 0.834 0.80 0.00 C ATOM 693 CE1APHE A 25 -8.452 11.330 -1.443 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.921 11.353 -0.597 0.80 0.00 C ATOM 695 CE2APHE A 25 -6.716 10.973 0.163 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.242 11.390 1.105 0.80 0.00 C ATOM 697 CZ APHE A 25 -7.536 11.834 -0.540 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.232 12.034 0.388 0.80 0.00 C ATOM 0 H APHE A 25 -8.745 4.994 -0.728 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.363 5.346 -0.771 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.448 7.102 0.889 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.494 7.034 1.495 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.882 7.243 -1.573 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.217 7.804 -0.397 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.594 7.410 -1.911 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.604 7.705 -1.464 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.259 9.575 -2.351 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -9.158 9.505 -1.633 0.80 0.00 H new ATOM 0 HD2APHE A 25 -6.167 8.940 0.511 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -6.166 9.571 1.397 0.80 0.00 H new ATOM 0 HE1APHE A 25 -9.096 12.001 -1.992 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.697 11.852 -1.159 0.80 0.00 H new ATOM 0 HE2APHE A 25 -6.001 11.365 0.871 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -6.703 11.919 1.877 0.80 0.00 H new ATOM 0 HZ APHE A 25 -7.461 12.900 -0.384 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.467 13.067 0.597 0.80 0.00 H new ATOM 717 N AASN A 26 -9.650 7.856 1.713 0.20 0.00 N ATOM 718 N BASN A 26 -9.764 8.106 1.666 0.80 0.00 N ATOM 719 CA AASN A 26 -10.938 8.247 2.273 0.20 0.00 C ATOM 720 CA BASN A 26 -11.143 8.507 1.917 0.80 0.00 C ATOM 721 C AASN A 26 -11.285 9.682 1.895 0.20 0.00 C ATOM 722 C BASN A 26 -11.366 9.964 1.519 0.80 0.00 C ATOM 723 O AASN A 26 -10.665 10.630 2.381 0.20 0.00 O ATOM 724 O BASN A 26 -10.648 10.858 1.965 0.80 0.00 O ATOM 725 CB AASN A 26 -10.921 8.099 3.796 0.20 0.00 C ATOM 726 CB BASN A 26 -11.492 8.312 3.394 0.80 0.00 C ATOM 727 CG AASN A 26 -12.289 8.309 4.413 0.20 0.00 C ATOM 728 CG BASN A 26 -12.990 8.286 3.634 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.661 9.431 4.759 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.757 8.931 2.919 0.80 0.00 O ATOM 731 ND2AASN A 26 -13.047 7.228 4.554 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.413 7.540 4.648 0.80 0.00 N ATOM 0 H AASN A 26 -8.843 8.155 2.261 0.20 0.00 H new ATOM 0 H BASN A 26 -9.085 8.500 2.317 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.700 7.588 1.858 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.795 7.878 1.310 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.556 7.106 4.058 0.20 0.00 H new ATOM 0 HB2BASN A 26 -11.053 7.379 3.748 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.220 8.818 4.220 0.20 0.00 H new ATOM 0 HB3BASN A 26 -11.047 9.116 3.979 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.978 7.308 4.963 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.409 7.485 4.860 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.698 6.318 4.253 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.742 7.022 5.215 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.275 9.837 1.023 0.20 0.00 N ATOM 746 N BHIS A 27 -12.367 10.193 0.674 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.706 11.159 0.579 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.685 11.541 0.216 0.80 0.00 C ATOM 749 C AHIS A 27 -13.824 11.693 1.469 0.20 0.00 C ATOM 750 C BHIS A 27 -13.510 12.290 1.260 0.80 0.00 C ATOM 751 O AHIS A 27 -14.756 12.341 0.989 0.20 0.00 O ATOM 752 O BHIS A 27 -13.598 13.517 1.231 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.176 11.103 -0.875 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.448 11.485 -1.108 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.472 10.372 -1.058 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.635 10.572 -1.077 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.268 10.521 -2.173 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.877 10.965 -0.627 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.104 9.482 -0.260 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.764 9.276 -1.449 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.336 9.754 -2.052 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.719 9.952 -0.718 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.262 9.113 -0.900 0.20 0.00 N ATOM 764 NE2BHIS A 27 -16.069 8.914 -1.216 0.80 0.00 N ATOM 0 H AHIS A 27 -12.795 9.063 0.609 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.971 9.464 0.293 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.855 11.836 0.651 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.748 12.077 0.066 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.285 12.120 -1.252 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.780 12.490 -1.370 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.407 10.620 -1.478 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.769 11.158 -1.896 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.762 9.127 0.701 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.986 8.645 -1.853 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -17.135 9.666 -2.773 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.761 9.969 -0.434 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.952 8.452 -0.544 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.471 7.994 -1.398 0.80 0.00 H new ATOM 779 N AILE A 28 -13.726 11.418 2.764 0.20 0.00 N ATOM 780 N BILE A 28 -14.110 11.541 2.180 0.80 0.00 N ATOM 781 CA AILE A 28 -14.729 11.872 3.720 0.20 0.00 C ATOM 782 CA BILE A 28 -14.926 12.134 3.232 0.80 0.00 C ATOM 783 C AILE A 28 -14.082 12.615 4.885 0.20 0.00 C ATOM 784 C BILE A 28 -14.065 12.575 4.411 0.80 0.00 C ATOM 785 O AILE A 28 -14.571 13.659 5.317 0.20 0.00 O ATOM 786 O BILE A 28 -14.200 13.695 4.908 0.80 0.00 O ATOM 787 CB AILE A 28 -15.553 10.694 4.272 0.20 0.00 C ATOM 788 CB BILE A 28 -16.000 11.151 3.733 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.313 9.999 3.140 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.948 10.770 2.595 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.518 11.181 5.344 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.774 11.757 4.894 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.281 10.907 2.416 0.20 0.00 C ATOM 794 CD1BILE A 28 -18.071 9.854 3.024 0.80 0.00 C ATOM 0 H AILE A 28 -12.962 10.883 3.177 0.20 0.00 H new ATOM 0 H BILE A 28 -14.046 10.524 2.218 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.393 12.550 3.183 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.418 13.005 2.798 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.872 9.972 4.723 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.505 10.246 4.085 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.596 9.600 2.423 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.374 11.678 2.169 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.860 9.150 3.549 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.376 10.284 1.804 0.80 0.00 H new ATOM 0 HG21AILE A 28 -17.094 10.338 5.725 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.529 11.050 5.236 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.956 11.635 6.160 0.20 0.00 H new ATOM 0 HG22BILE A 28 -16.088 11.980 5.712 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.196 11.919 4.915 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.260 12.676 4.567 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.784 10.348 1.627 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.703 9.626 2.166 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.021 11.286 3.121 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.654 8.929 3.423 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.737 11.743 1.977 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.667 10.345 3.793 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.978 12.071 5.387 0.20 0.00 N ATOM 818 N BTHR A 29 -13.179 11.690 4.855 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.264 12.681 6.500 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.296 11.988 5.975 0.80 0.00 C ATOM 821 C ATHR A 29 -10.812 12.970 6.130 0.20 0.00 C ATOM 822 C BTHR A 29 -10.985 12.599 5.494 0.80 0.00 C ATOM 823 O ATHR A 29 -9.938 13.011 6.995 0.20 0.00 O ATOM 824 O BTHR A 29 -10.266 13.236 6.262 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.294 11.781 7.749 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.988 10.724 6.799 0.80 0.00 C ATOM 827 OG1ATHR A 29 -13.107 10.629 7.502 0.20 0.00 O ATOM 828 OG1BTHR A 29 -12.039 9.566 5.959 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.837 12.542 8.950 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.981 10.569 7.943 0.80 0.00 C ATOM 0 H ATHR A 29 -12.559 11.208 5.040 0.20 0.00 H new ATOM 0 H BTHR A 29 -13.054 10.760 4.456 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.773 13.618 6.725 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.818 12.706 6.607 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.274 11.466 7.968 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.987 10.825 7.217 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -13.120 10.060 8.300 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.841 8.767 6.491 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.849 11.887 9.821 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.744 9.670 8.511 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -12.201 13.403 9.153 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.920 11.438 8.598 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.851 12.882 8.737 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.991 10.488 7.540 0.80 0.00 H new ATOM 845 N AASN A 30 -10.563 13.169 4.840 0.20 0.00 N ATOM 846 N BASN A 30 -10.679 12.399 4.215 0.80 0.00 N ATOM 847 CA AASN A 30 -9.217 13.452 4.357 0.20 0.00 C ATOM 848 CA BASN A 30 -9.451 12.930 3.632 0.80 0.00 C ATOM 849 C AASN A 30 -8.208 12.477 4.956 0.20 0.00 C ATOM 850 C BASN A 30 -8.222 12.312 4.292 0.80 0.00 C ATOM 851 O AASN A 30 -7.064 12.844 5.229 0.20 0.00 O ATOM 852 O BASN A 30 -7.410 13.013 4.893 0.80 0.00 O ATOM 853 CB AASN A 30 -8.821 14.889 4.701 0.20 0.00 C ATOM 854 CB BASN A 30 -9.411 14.452 3.777 0.80 0.00 C ATOM 855 CG AASN A 30 -9.405 15.898 3.731 0.20 0.00 C ATOM 856 CG BASN A 30 -8.498 15.107 2.758 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.394 16.568 4.032 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.956 15.816 1.862 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.794 16.012 2.557 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.198 14.870 2.890 0.80 0.00 N ATOM 0 H AASN A 30 -11.276 13.139 4.111 0.20 0.00 H new ATOM 0 H BASN A 30 -11.263 11.874 3.564 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.213 13.331 3.274 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.440 12.672 2.573 0.80 0.00 H new ATOM 0 HB2AASN A 30 -9.157 15.124 5.711 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.419 14.851 3.667 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.734 14.974 4.699 0.20 0.00 H new ATOM 0 HB3BASN A 30 -9.074 14.710 4.781 0.80 0.00 H new ATOM 0 HD21AASN A 30 -9.141 16.674 1.863 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.535 15.282 2.233 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.977 15.437 2.349 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.862 14.276 3.648 0.80 0.00 H new ATOM 873 N AALA A 31 -8.638 11.237 5.157 0.20 0.00 N ATOM 874 N BALA A 31 -8.095 10.995 4.174 0.80 0.00 N ATOM 875 CA AALA A 31 -7.772 10.210 5.720 0.20 0.00 C ATOM 876 CA BALA A 31 -6.964 10.282 4.757 0.80 0.00 C ATOM 877 C AALA A 31 -7.161 9.345 4.624 0.20 0.00 C ATOM 878 C BALA A 31 -6.663 9.004 3.983 0.80 0.00 C ATOM 879 O AALA A 31 -7.633 9.342 3.487 0.20 0.00 O ATOM 880 O BALA A 31 -7.541 8.440 3.332 0.80 0.00 O ATOM 881 CB AALA A 31 -8.548 9.347 6.704 0.20 0.00 C ATOM 882 CB BALA A 31 -7.238 9.963 6.220 0.80 0.00 C ATOM 0 H AALA A 31 -9.582 10.919 4.938 0.20 0.00 H new ATOM 0 H BALA A 31 -8.760 10.400 3.681 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.959 10.706 6.250 0.20 0.00 H new ATOM 0 HA BALA A 31 -6.088 10.928 4.695 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.889 8.584 7.117 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.386 9.431 6.642 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.931 9.971 7.511 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.396 10.890 6.771 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.381 8.867 6.189 0.20 0.00 H new ATOM 0 HB3BALA A 31 -8.129 9.339 6.296 0.80 0.00 H new ATOM 893 N ASER A 32 -6.106 8.614 4.972 0.20 0.00 N ATOM 894 N BSER A 32 -5.415 8.553 4.057 0.80 0.00 N ATOM 895 CA ASER A 32 -5.426 7.748 4.015 0.20 0.00 C ATOM 896 CA BSER A 32 -4.994 7.344 3.358 0.80 0.00 C ATOM 897 C ASER A 32 -4.501 6.768 4.729 0.20 0.00 C ATOM 898 C BSER A 32 -4.438 6.315 4.338 0.80 0.00 C ATOM 899 O ASER A 32 -3.409 7.135 5.161 0.20 0.00 O ATOM 900 O BSER A 32 -3.824 6.672 5.343 0.80 0.00 O ATOM 901 CB ASER A 32 -4.628 8.586 3.016 0.20 0.00 C ATOM 902 CB BSER A 32 -3.943 7.680 2.300 0.80 0.00 C ATOM 903 OG ASER A 32 -4.518 7.923 1.767 0.20 0.00 O ATOM 904 OG BSER A 32 -4.257 7.074 1.058 0.80 0.00 O ATOM 0 H ASER A 32 -5.704 8.604 5.909 0.20 0.00 H new ATOM 0 H BSER A 32 -4.677 9.007 4.595 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.183 7.177 3.477 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.868 6.916 2.867 0.80 0.00 H new ATOM 0 HB2ASER A 32 -5.114 9.552 2.877 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.881 8.761 2.175 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.633 8.784 3.415 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.963 7.341 2.636 0.80 0.00 H new ATOM 0 HG ASER A 32 -5.060 7.107 1.781 0.20 0.00 H new ATOM 0 HG BSER A 32 -3.473 6.592 0.722 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.949 5.523 4.850 0.20 0.00 N ATOM 916 N BGLN A 33 -4.658 5.040 4.036 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.161 4.490 5.513 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.178 3.960 4.891 0.80 0.00 C ATOM 919 C AGLN A 33 -3.669 3.452 4.511 0.20 0.00 C ATOM 920 C BGLN A 33 -3.948 2.688 4.081 0.80 0.00 C ATOM 921 O AGLN A 33 -4.224 3.315 3.421 0.20 0.00 O ATOM 922 O BGLN A 33 -4.750 2.335 3.217 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.988 3.809 6.606 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.180 3.687 6.015 0.80 0.00 C ATOM 925 CG AGLN A 33 -6.396 3.447 6.162 0.20 0.00 C ATOM 926 CG BGLN A 33 -4.855 2.448 6.833 0.80 0.00 C ATOM 927 CD AGLN A 33 -7.087 2.501 7.126 0.20 0.00 C ATOM 928 CD BGLN A 33 -5.830 2.228 7.971 0.80 0.00 C ATOM 929 OE1AGLN A 33 -6.510 1.498 7.550 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.692 1.351 7.906 0.80 0.00 O ATOM 931 NE2AGLN A 33 -8.327 2.816 7.478 0.20 0.00 N ATOM 932 NE2BGLN A 33 -5.702 3.027 9.024 0.80 0.00 N ATOM 0 H AGLN A 33 -5.852 5.205 4.498 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.165 4.729 3.207 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.294 4.968 5.968 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.228 4.270 5.327 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -4.473 2.904 6.930 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.214 4.551 6.678 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -5.047 4.469 7.471 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.175 3.577 5.584 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.988 4.357 6.065 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.861 1.575 6.181 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.355 2.987 5.175 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -3.846 2.538 7.236 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -8.766 3.657 7.102 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -4.974 3.741 9.037 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -8.841 2.218 8.124 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -6.332 2.927 9.820 0.80 0.00 H new ATOM 949 N APHE A 34 -2.621 2.724 4.885 0.20 0.00 N ATOM 950 N BPHE A 34 -2.845 2.004 4.366 0.80 0.00 N ATOM 951 CA APHE A 34 -2.052 1.701 4.017 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.507 0.771 3.665 0.80 0.00 C ATOM 953 C APHE A 34 -2.823 0.389 4.146 0.20 0.00 C ATOM 954 C BPHE A 34 -3.278 -0.412 4.241 0.80 0.00 C ATOM 955 O APHE A 34 -2.961 -0.358 3.178 0.20 0.00 O ATOM 956 O BPHE A 34 -3.622 -1.352 3.524 0.80 0.00 O ATOM 957 CB APHE A 34 -0.577 1.473 4.360 0.20 0.00 C ATOM 958 CB BPHE A 34 -1.003 0.504 3.751 0.80 0.00 C ATOM 959 CG APHE A 34 0.353 2.411 3.646 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.163 1.710 3.438 0.80 0.00 C ATOM 961 CD1APHE A 34 1.252 3.188 4.358 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.810 2.142 4.325 0.80 0.00 C ATOM 963 CD2APHE A 34 0.330 2.515 2.265 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.344 2.409 2.255 0.80 0.00 C ATOM 965 CE1APHE A 34 2.112 4.053 3.707 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.585 3.250 4.041 0.80 0.00 C ATOM 967 CE2APHE A 34 1.187 3.378 1.607 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.429 3.518 1.965 0.80 0.00 C ATOM 969 CZ APHE A 34 2.079 4.147 2.328 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.393 3.939 2.859 0.80 0.00 C ATOM 0 H APHE A 34 -2.149 2.824 5.784 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.170 2.283 5.078 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.129 2.050 2.987 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.788 0.891 2.619 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.440 1.586 5.435 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.761 0.152 4.754 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.308 0.447 4.111 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.744 -0.299 3.061 0.80 0.00 H new ATOM 0 HD1APHE A 34 1.282 3.117 5.435 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.964 1.606 5.250 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.365 1.915 1.696 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -1.097 2.084 1.552 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.808 4.654 4.274 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.339 3.577 4.741 0.80 0.00 H new ATOM 0 HE2APHE A 34 1.159 3.451 0.530 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.279 4.055 1.040 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.750 4.821 1.816 0.20 0.00 H new ATOM 0 HZ BPHE A 34 1.996 4.806 2.635 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.324 0.121 5.347 0.20 0.00 N ATOM 990 N BGLU A 35 -3.545 -0.359 5.544 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.081 -1.101 5.603 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.274 -1.428 6.216 0.80 0.00 C ATOM 993 C AGLU A 35 -5.559 -0.903 5.276 0.20 0.00 C ATOM 994 C BGLU A 35 -5.723 -1.479 5.743 0.80 0.00 C ATOM 995 O AGLU A 35 -6.067 0.218 5.301 0.20 0.00 O ATOM 996 O BGLU A 35 -6.399 -0.452 5.663 0.80 0.00 O ATOM 997 CB AGLU A 35 -3.922 -1.529 7.062 0.20 0.00 C ATOM 998 CB BGLU A 35 -4.229 -1.228 7.733 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.533 -0.551 8.053 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.898 -1.615 8.357 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.887 -0.631 9.423 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.822 -1.266 9.831 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -2.985 -1.474 9.606 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -1.758 -1.501 10.440 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -4.283 0.152 10.311 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -3.826 -0.759 10.374 0.80 0.00 O ATOM 0 H AGLU A 35 -3.220 0.731 6.158 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.268 0.411 6.153 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.686 -1.886 4.958 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.795 -2.374 5.965 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -4.384 -2.507 7.197 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.437 -0.182 7.960 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -2.861 -1.644 7.285 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -5.022 -1.818 8.193 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -4.432 0.463 7.666 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -2.740 -2.686 8.232 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -5.600 -0.752 8.146 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.091 -1.110 7.826 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.242 -2.001 4.968 0.20 0.00 N ATOM 1020 N BARG A 36 -6.197 -2.682 5.431 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.660 -1.950 4.635 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.564 -2.868 4.965 0.80 0.00 C ATOM 1023 C AARG A 36 -8.501 -1.662 5.876 0.20 0.00 C ATOM 1024 C BARG A 36 -8.557 -2.195 5.909 0.80 0.00 C ATOM 1025 O AARG A 36 -8.319 -2.269 6.932 0.20 0.00 O ATOM 1026 O BARG A 36 -8.788 -2.647 7.030 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.105 -3.268 3.999 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.888 -4.359 4.845 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.572 -3.289 3.604 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.298 -4.639 4.356 0.80 0.00 C ATOM 1031 CD AARG A 36 -10.207 -4.641 3.890 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.729 -6.060 4.683 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.183 -5.516 2.724 0.20 0.00 N ATOM 1034 NE BARG A 36 -9.501 -6.973 3.567 0.80 0.00 N ATOM 1035 CZ AARG A 36 -10.518 -6.801 2.760 0.20 0.00 C ATOM 1036 CZ BARG A 36 -10.119 -8.142 3.435 0.80 0.00 C ATOM 1037 NH1AARG A 36 -10.900 -7.357 3.901 0.20 0.00 N ATOM 1038 NH1BARG A 36 -10.996 -8.539 4.347 0.80 0.00 N ATOM 1039 NH2AARG A 36 -10.471 -7.532 1.654 0.20 0.00 N ATOM 1040 NH2BARG A 36 -9.858 -8.919 2.391 0.80 0.00 N ATOM 0 H AARG A 36 -5.836 -2.936 4.942 0.20 0.00 H new ATOM 0 H BARG A 36 -5.652 -3.542 5.493 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.810 -1.141 3.920 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.651 -2.405 3.982 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.497 -3.459 3.115 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.177 -4.823 4.161 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.914 -4.082 4.699 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.749 -4.831 5.817 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.108 -2.512 4.149 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.990 -3.933 4.815 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.668 -3.058 2.543 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.349 -4.481 3.279 0.80 0.00 H new ATOM 0 HD2AARG A 36 -9.680 -5.122 4.714 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.181 -6.413 5.557 0.80 0.00 H new ATOM 0 HD3AARG A 36 -11.238 -4.496 4.213 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.787 -6.066 4.946 0.80 0.00 H new ATOM 0 HE AARG A 36 -9.893 -5.119 1.830 0.20 0.00 H new ATOM 0 HE BARG A 36 -8.830 -6.699 2.849 0.80 0.00 H new ATOM 0 HH11AARG A 36 -10.937 -6.798 4.753 0.20 0.00 H new ATOM 0 HH11BARG A 36 -11.198 -7.947 5.152 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.157 -8.344 3.927 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.469 -9.437 4.243 0.80 0.00 H new ATOM 0 HH21AARG A 36 -10.177 -7.108 0.774 0.20 0.00 H new ATOM 0 HH21BARG A 36 -9.182 -8.619 1.688 0.80 0.00 H new ATOM 0 HH22AARG A 36 -10.729 -8.519 1.683 0.20 0.00 H new ATOM 0 HH22BARG A 36 -10.333 -9.816 2.291 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.441 -0.714 5.749 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.161 -1.092 5.443 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.327 -0.326 6.850 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.138 -0.332 6.230 0.80 0.00 C ATOM 1071 C APRO A 37 -11.334 -1.416 7.196 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.449 -1.089 6.412 0.80 0.00 C ATOM 1073 O APRO A 37 -11.395 -2.452 6.533 0.20 0.00 O ATOM 1074 O BPRO A 37 -12.128 -1.413 5.438 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.044 0.913 6.306 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.361 0.931 5.396 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.003 0.756 4.825 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.029 0.528 4.000 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.710 0.051 4.520 0.20 0.00 C ATOM 1080 CD BPRO A 37 -8.934 -0.496 4.115 0.80 0.00 C ATOM 0 HA APRO A 37 -9.776 -0.146 7.773 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.781 -0.133 7.241 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.070 0.968 6.670 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.391 1.279 5.473 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.545 1.829 6.621 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.722 1.747 5.735 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.856 0.178 4.470 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -10.901 0.112 3.496 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.046 1.725 4.328 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.701 1.386 3.413 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.803 -0.602 3.652 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -8.998 -1.243 3.323 0.80 0.00 H new ATOM 0 HD3APRO A 37 -8.909 0.757 4.303 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -7.947 -0.039 4.043 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.126 -1.177 8.237 0.20 0.00 N ATOM 1096 N BSER A 38 -11.797 -1.370 7.663 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.129 -2.140 8.672 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.026 -2.092 7.971 0.80 0.00 C ATOM 1099 C ASER A 38 -14.430 -1.961 7.894 0.20 0.00 C ATOM 1100 C BSER A 38 -14.180 -1.125 8.206 0.80 0.00 C ATOM 1101 O ASER A 38 -14.855 -2.852 7.160 0.20 0.00 O ATOM 1102 O BSER A 38 -13.983 0.086 8.292 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.395 -1.989 10.172 0.20 0.00 C ATOM 1104 CB BSER A 38 -12.827 -2.975 9.205 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.705 -0.647 10.502 0.20 0.00 O ATOM 1106 OG BSER A 38 -13.964 -3.790 9.435 0.80 0.00 O ATOM 0 H ASER A 38 -12.092 -0.324 8.795 0.20 0.00 H new ATOM 0 H BSER A 38 -11.245 -1.109 8.480 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.744 -3.141 8.476 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.272 -2.722 7.116 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.219 -2.639 10.466 0.20 0.00 H new ATOM 0 HB2BSER A 38 -11.946 -3.603 9.069 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.519 -2.312 10.734 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.641 -2.350 10.078 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.872 -0.577 11.465 0.20 0.00 H new ATOM 0 HG BSER A 38 -13.813 -4.346 10.227 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.055 -0.801 8.060 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.390 -1.669 8.307 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.300 -0.524 7.368 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.560 -0.841 8.530 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.514 -0.967 8.158 0.20 0.00 C ATOM 1122 C BGLY A 39 -17.852 -1.628 8.445 0.80 0.00 C ATOM 1123 O AGLY A 39 -18.620 -0.470 7.942 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.887 -1.129 8.887 0.80 0.00 O ATOM 0 H AGLY A 39 -14.722 -0.047 8.661 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.580 -2.669 8.238 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.371 0.545 7.168 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.488 -0.372 9.511 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.295 -1.029 6.402 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.578 -0.038 7.794 0.80 0.00 H new TER 1131 GLY A 39