USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 542 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 B: amide:sc= -1.73 K(o=-2.6,f=-16!) USER MOD Set 1.2: A 27 HIS A:FLIP no HE2:sc= -0.916 F(o=-3.6,f=-2.6) USER MOD Set 2.1: A 26 ASN A: amide:sc= 0.0228 K(o=0.16,f=-12!) USER MOD Set 2.2: A 29 THR OG1A: rot -52:sc= 0.964 USER MOD Set 2.3: A 29 THR OG1B: rot 180:sc= -0.822 USER MOD Set 3.1: A 16 SER OG B: rot 154:sc= 0.818 USER MOD Set 3.2: A 19 SER OG B: rot -120:sc= 0.906 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+ -136:sc= -0.476 (180deg=-2.62!) 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 85:sc= 1.61 USER MOD Single : A 18 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.253 K(o=-0.25,f=-2.7!) 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= -0.0825 USER MOD Single : A 27 HIS B: no HD1:sc= -0.341 X(o=-0.34,f=-0.44) USER MOD Single : A 30 ASN A: amide:sc= -0.164 X(o=-0.16,f=-0.02) USER MOD Single : A 30 ASN B: amide:sc= -0.109 X(o=-0.11,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= 0.024 USER MOD Single : A 33 GLN A: amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 33 GLN B: amide:sc= 1.12 K(o=1.1,f=-0.03) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.228 USER MOD Single : A 38 SER OG B: rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -12.995 -3.370 -5.044 0.50 0.00 N ATOM 24 N BLYS A 6 -12.513 -4.694 -4.446 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.646 -4.152 -4.001 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.146 -4.916 -3.151 0.50 0.00 C ATOM 27 C ALYS A 6 -13.569 -3.434 -2.656 0.50 0.00 C ATOM 28 C BLYS A 6 -12.682 -3.881 -2.133 0.50 0.00 C ATOM 29 O ALYS A 6 -13.099 -3.998 -1.667 0.50 0.00 O ATOM 30 O BLYS A 6 -11.498 -3.812 -1.798 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.998 -5.534 -3.891 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.831 -6.325 -2.643 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.782 -6.212 -5.234 0.50 0.00 C ATOM 34 CG BLYS A 6 -13.220 -7.424 -3.617 0.50 0.00 C ATOM 35 CD ALYS A 6 -12.208 -7.608 -5.066 0.50 0.00 C ATOM 36 CD BLYS A 6 -12.386 -8.677 -3.403 0.50 0.00 C ATOM 37 CE ALYS A 6 -13.309 -8.655 -4.976 0.50 0.00 C ATOM 38 CE BLYS A 6 -13.182 -9.935 -3.715 0.50 0.00 C ATOM 39 NZ ALYS A 6 -12.757 -10.029 -4.833 0.50 0.00 N ATOM 40 NZ BLYS A 6 -12.363 -10.944 -4.443 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.695 -4.270 -4.271 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.224 -4.814 -3.279 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -12.038 -5.437 -3.384 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -11.764 -6.397 -2.435 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -13.625 -6.172 -3.268 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.352 -6.487 -1.699 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -13.729 -6.269 -5.771 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -14.276 -7.663 -3.495 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.107 -5.610 -5.842 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -13.090 -7.069 -4.639 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -11.554 -7.837 -5.907 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -11.500 -8.639 -4.037 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -11.595 -7.645 -4.166 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -12.038 -8.712 -2.371 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -13.953 -8.432 -4.126 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -13.553 -10.370 -2.787 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -13.932 -8.605 -5.869 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -14.054 -9.674 -4.315 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -13.538 -10.713 -4.775 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -12.942 -11.786 -4.637 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -12.162 -10.252 -5.657 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -12.030 -10.538 -5.341 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -12.184 -10.084 -3.967 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -11.545 -11.213 -3.860 0.50 0.00 H new ATOM 67 N ALEU A 7 -14.036 -2.192 -2.626 0.50 0.00 N ATOM 68 N BLEU A 7 -13.619 -3.078 -1.642 0.50 0.00 N ATOM 69 CA ALEU A 7 -14.023 -1.397 -1.402 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.307 -2.047 -0.659 0.50 0.00 C ATOM 71 C ALEU A 7 -15.434 -0.975 -1.012 0.50 0.00 C ATOM 72 C BLEU A 7 -14.578 -1.375 -0.152 0.50 0.00 C ATOM 73 O ALEU A 7 -16.352 -0.952 -1.832 0.50 0.00 O ATOM 74 O BLEU A 7 -15.612 -1.365 -0.818 0.50 0.00 O ATOM 75 CB ALEU A 7 -13.137 -0.163 -1.582 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.373 -1.001 -1.269 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.648 -0.357 -1.300 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.009 -0.033 -2.268 0.50 0.00 C ATOM 79 CD1ALEU A 7 -11.128 -1.598 -2.006 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.976 1.388 -1.729 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.860 0.873 -1.727 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.301 -0.113 -3.612 0.50 0.00 C ATOM 0 H ALEU A 7 -14.429 -1.712 -3.436 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.602 -3.121 -1.909 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.616 -2.014 -0.601 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.809 -2.523 0.185 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.249 0.193 -2.606 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -11.934 -0.419 -0.459 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.510 0.625 -0.928 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.555 -1.521 -1.768 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.516 -0.494 -0.227 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.051 -0.321 -2.411 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -10.066 -1.719 -1.793 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.433 2.063 -2.453 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.672 -2.473 -1.651 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.529 1.434 -0.791 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.273 -1.493 -3.081 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.942 1.688 -1.556 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.801 0.717 -1.519 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.767 0.582 -4.310 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.999 1.041 -2.795 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.250 0.148 -3.486 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.215 1.742 -1.173 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.378 -1.127 -4.004 0.50 0.00 H new ATOM 105 N APRO A 8 -15.613 -0.628 0.272 0.50 0.00 N ATOM 106 N BPRO A 8 -14.501 -0.798 1.057 0.50 0.00 N ATOM 107 CA APRO A 8 -16.912 -0.195 0.800 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.636 -0.112 1.682 0.50 0.00 C ATOM 109 C APRO A 8 -17.327 1.173 0.271 0.50 0.00 C ATOM 110 C BPRO A 8 -15.984 1.192 0.972 0.50 0.00 C ATOM 111 O APRO A 8 -16.557 1.867 -0.395 0.50 0.00 O ATOM 112 O BPRO A 8 -15.177 1.762 0.236 0.50 0.00 O ATOM 113 CB APRO A 8 -16.676 -0.135 2.311 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.143 0.165 3.104 0.50 0.00 C ATOM 115 CG APRO A 8 -15.211 0.087 2.458 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.658 0.207 2.990 0.50 0.00 C ATOM 117 CD APRO A 8 -14.565 -0.631 1.305 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.299 -0.773 1.908 0.50 0.00 C ATOM 0 HA APRO A 8 -17.717 -0.868 0.506 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.547 -0.709 1.643 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.247 0.673 2.769 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.538 1.108 3.483 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.987 -1.060 2.797 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.465 -0.615 3.793 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.974 1.151 2.438 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.314 1.210 2.738 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.851 -0.302 3.411 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.186 -0.064 3.934 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.665 -0.118 0.966 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.419 -0.452 1.351 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.271 -1.645 1.577 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.075 -1.758 2.317 0.50 0.00 H new ATOM 133 N APRO A 9 -18.572 1.572 0.571 0.50 0.00 N ATOM 134 N BPRO A 9 -17.212 1.681 1.199 0.50 0.00 N ATOM 135 CA APRO A 9 -19.116 2.860 0.136 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.694 2.925 0.592 0.50 0.00 C ATOM 137 C APRO A 9 -18.460 4.039 0.851 0.50 0.00 C ATOM 138 C BPRO A 9 -16.994 4.154 1.160 0.50 0.00 C ATOM 139 O APRO A 9 -18.522 4.145 2.075 0.50 0.00 O ATOM 140 O BPRO A 9 -16.615 4.181 2.331 0.50 0.00 O ATOM 141 CB APRO A 9 -20.597 2.765 0.510 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.182 2.943 0.952 0.50 0.00 C ATOM 143 CG APRO A 9 -20.641 1.785 1.632 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.283 2.117 2.189 0.50 0.00 C ATOM 145 CD APRO A 9 -19.543 0.795 1.359 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.226 1.055 2.065 0.50 0.00 C ATOM 0 HA APRO A 9 -18.941 3.038 -0.925 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.501 2.957 -0.480 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.991 3.734 0.815 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.535 3.960 1.125 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.198 2.428 -0.334 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.789 2.527 0.148 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.489 2.282 2.590 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.122 2.726 3.079 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.611 1.289 1.680 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.274 1.672 2.282 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.102 0.419 2.282 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.813 0.784 3.037 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.910 -0.070 0.806 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.624 0.142 1.622 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.835 4.919 0.077 0.50 0.00 N ATOM 162 N BGLY A 10 -16.828 5.174 0.323 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.176 6.078 0.656 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.175 6.394 0.760 0.50 0.00 C ATOM 165 C AGLY A 10 -15.676 6.051 0.456 0.50 0.00 C ATOM 166 C BGLY A 10 -14.692 6.405 0.439 0.50 0.00 C ATOM 167 O AGLY A 10 -15.005 7.075 0.593 0.50 0.00 O ATOM 168 O BGLY A 10 -14.144 7.436 0.049 0.50 0.00 O ATOM 0 H AGLY A 10 -17.772 4.852 -0.939 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.134 5.177 -0.650 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.583 6.985 0.208 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.653 7.249 0.283 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.397 6.122 1.723 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.312 6.511 1.835 0.50 0.00 H new ATOM 175 N ATRP A 11 -15.143 4.878 0.133 0.50 0.00 N ATOM 176 N BTRP A 11 -14.045 5.259 0.606 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.710 4.723 -0.083 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.616 5.141 0.333 0.50 0.00 C ATOM 179 C ATRP A 11 -13.389 4.637 -1.572 0.50 0.00 C ATOM 180 C BTRP A 11 -12.364 4.932 -1.155 0.50 0.00 C ATOM 181 O ATRP A 11 -14.219 4.200 -2.370 0.50 0.00 O ATOM 182 O BTRP A 11 -13.140 4.265 -1.838 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.198 3.470 0.633 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.017 3.985 1.134 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.920 3.692 2.089 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.296 4.072 2.604 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.794 3.526 3.125 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.416 3.635 3.253 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.684 4.122 2.669 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.440 4.632 3.606 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.176 3.827 4.315 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.307 3.890 4.599 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.881 4.195 4.063 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.106 4.500 4.841 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.430 4.452 2.149 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.179 5.229 3.582 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.871 4.583 4.938 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.548 4.946 6.038 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.428 4.837 3.020 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.627 5.672 4.769 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.651 4.900 4.402 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.311 5.528 5.984 0.50 0.00 C ATOM 0 H ATRP A 11 -15.682 4.020 0.015 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.485 4.398 0.929 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.210 5.600 0.328 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.134 6.070 0.637 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.934 2.673 0.528 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.413 3.044 0.752 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.286 3.127 0.144 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.939 3.964 0.977 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.820 3.205 3.024 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.262 3.160 2.779 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.611 3.783 5.236 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.008 3.662 5.304 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.247 4.407 1.086 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.643 5.343 2.651 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -11.043 4.632 6.003 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.074 4.836 6.975 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.455 5.094 2.628 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.652 6.137 4.760 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.847 5.204 5.056 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.853 5.883 6.895 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.184 5.058 -1.939 0.50 0.00 N ATOM 224 N BGLU A 12 -11.272 5.507 -1.652 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.757 5.030 -3.332 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.918 5.382 -3.061 0.50 0.00 C ATOM 227 C AGLU A 12 -10.385 4.374 -3.469 0.50 0.00 C ATOM 228 C BGLU A 12 -9.594 4.642 -3.226 0.50 0.00 C ATOM 229 O AGLU A 12 -9.398 4.851 -2.910 0.50 0.00 O ATOM 230 O BGLU A 12 -8.672 4.809 -2.426 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.714 6.449 -3.905 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.828 6.764 -3.711 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.413 6.494 -5.394 0.50 0.00 C ATOM 234 CG BGLU A 12 -12.180 7.405 -3.970 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.235 7.910 -5.908 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.855 6.862 -5.214 0.50 0.00 C ATOM 237 OE1AGLU A 12 -11.286 8.102 -7.142 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.548 5.716 -5.602 0.50 0.00 O ATOM 239 OE2AGLU A 12 -11.045 8.824 -5.080 0.50 0.00 O ATOM 240 OE2BGLU A 12 -13.690 7.585 -5.800 0.50 0.00 O ATOM 0 H AGLU A 12 -11.486 5.423 -1.291 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.619 6.063 -1.100 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.481 4.440 -3.894 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.700 4.806 -3.556 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.672 6.935 -3.721 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -10.241 7.421 -3.068 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.957 7.024 -3.372 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.290 6.678 -4.655 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.508 5.921 -5.596 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.827 7.240 -3.109 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.224 6.012 -5.940 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -12.053 8.483 -4.071 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.333 3.274 -4.214 0.50 0.00 N ATOM 254 N BLYS A 13 -9.505 3.824 -4.269 0.50 0.00 N ATOM 255 CA ALYS A 13 -9.085 2.552 -4.425 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.295 3.059 -4.542 0.50 0.00 C ATOM 257 C ALYS A 13 -8.220 3.251 -5.467 0.50 0.00 C ATOM 258 C BLYS A 13 -7.471 3.717 -5.644 0.50 0.00 C ATOM 259 O ALYS A 13 -8.584 3.326 -6.641 0.50 0.00 O ATOM 260 O BLYS A 13 -7.962 3.936 -6.751 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.371 1.114 -4.866 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.653 1.626 -4.944 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.131 0.241 -4.937 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.455 0.802 -5.384 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.666 0.050 -6.371 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.885 -0.529 -5.981 0.50 0.00 C ATOM 267 CE ALYS A 13 -6.789 -1.184 -6.513 0.50 0.00 C ATOM 268 CE BLYS A 13 -6.911 -0.999 -7.050 0.50 0.00 C ATOM 269 NZ ALYS A 13 -5.666 -0.960 -7.465 0.50 0.00 N ATOM 270 NZ BLYS A 13 -6.167 -2.218 -6.625 0.50 0.00 N ATOM 0 H ALYS A 13 -11.142 2.864 -4.681 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.258 3.674 -4.940 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.542 2.535 -3.480 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.697 3.036 -3.631 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -10.082 0.665 -4.172 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.135 1.130 -4.101 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.849 1.132 -5.845 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.381 1.656 -5.755 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.331 0.695 -4.351 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.877 1.362 -6.119 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -8.342 -0.730 -4.489 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.800 0.625 -4.531 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.532 -0.041 -7.026 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.951 -1.279 -5.192 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -7.112 0.931 -6.695 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -8.881 -0.431 -6.412 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -6.388 -1.459 -5.537 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -7.456 -1.208 -7.971 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -7.395 -2.022 -6.857 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -6.203 -0.201 -7.273 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -5.092 -1.824 -7.534 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -5.162 -2.114 -6.869 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -6.048 -0.722 -8.403 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -6.262 -2.342 -5.597 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -5.073 -0.177 -7.124 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -6.557 -3.050 -7.112 0.50 0.00 H new ATOM 297 N AARG A 14 -7.073 3.764 -5.033 0.50 0.00 N ATOM 298 N BARG A 14 -6.218 4.028 -5.333 0.50 0.00 N ATOM 299 CA AARG A 14 -6.157 4.457 -5.929 0.50 0.00 C ATOM 300 CA BARG A 14 -5.326 4.661 -6.296 0.50 0.00 C ATOM 301 C AARG A 14 -4.888 3.636 -6.152 0.50 0.00 C ATOM 302 C BARG A 14 -3.970 3.961 -6.326 0.50 0.00 C ATOM 303 O AARG A 14 -4.615 2.687 -5.418 0.50 0.00 O ATOM 304 O BARG A 14 -3.520 3.417 -5.317 0.50 0.00 O ATOM 305 CB AARG A 14 -5.795 5.830 -5.361 0.50 0.00 C ATOM 306 CB BARG A 14 -5.139 6.140 -5.957 0.50 0.00 C ATOM 307 CG AARG A 14 -7.004 6.694 -5.041 0.50 0.00 C ATOM 308 CG BARG A 14 -6.404 6.813 -5.449 0.50 0.00 C ATOM 309 CD AARG A 14 -7.235 7.748 -6.110 0.50 0.00 C ATOM 310 CD BARG A 14 -6.589 8.191 -6.066 0.50 0.00 C ATOM 311 NE AARG A 14 -7.684 7.161 -7.370 0.50 0.00 N ATOM 312 NE BARG A 14 -7.965 8.665 -5.945 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.343 7.839 -8.303 0.50 0.00 C ATOM 314 CZ BARG A 14 -8.939 8.310 -6.776 0.50 0.00 C ATOM 315 NH1AARG A 14 -8.629 9.122 -8.120 0.50 0.00 N ATOM 316 NH1BARG A 14 -8.690 7.483 -7.782 0.50 0.00 N ATOM 317 NH2AARG A 14 -8.719 7.236 -9.423 0.50 0.00 N ATOM 318 NH2BARG A 14 -10.165 8.783 -6.602 0.50 0.00 N ATOM 0 H AARG A 14 -6.756 3.712 -4.065 0.50 0.00 H new ATOM 0 H BARG A 14 -5.797 3.852 -4.421 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.658 4.589 -6.888 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.782 4.576 -7.282 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.205 5.695 -4.454 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.359 6.235 -5.202 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.163 6.355 -6.077 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.789 6.666 -6.845 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.889 6.064 -4.953 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.267 6.190 -5.682 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.860 7.179 -4.076 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.359 6.902 -4.364 0.50 0.00 H new ATOM 0 HD2AARG A 14 -7.978 8.464 -5.759 0.50 0.00 H new ATOM 0 HD2BARG A 14 -5.918 8.899 -5.580 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.312 8.303 -6.277 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.309 8.157 -7.119 0.50 0.00 H new ATOM 0 HE AARG A 14 -7.480 6.177 -7.543 0.50 0.00 H new ATOM 0 HE BARG A 14 -8.190 9.303 -5.182 0.50 0.00 H new ATOM 0 HH11AARG A 14 -8.343 9.591 -7.261 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.748 7.117 -7.920 0.50 0.00 H new ATOM 0 HH12AARG A 14 -9.135 9.639 -8.839 0.50 0.00 H new ATOM 0 HH12BARG A 14 -9.440 7.213 -8.418 0.50 0.00 H new ATOM 0 HH21AARG A 14 -8.502 6.250 -9.569 0.50 0.00 H new ATOM 0 HH21BARG A 14 -10.361 9.420 -5.830 0.50 0.00 H new ATOM 0 HH22AARG A 14 -9.225 7.758 -10.138 0.50 0.00 H new ATOM 0 HH22BARG A 14 -10.912 8.510 -7.240 0.50 0.00 H new ATOM 345 N AMET A 15 -4.118 4.011 -7.167 0.50 0.00 N ATOM 346 N BMET A 15 -3.326 3.976 -7.488 0.50 0.00 N ATOM 347 CA AMET A 15 -2.879 3.312 -7.486 0.50 0.00 C ATOM 348 CA BMET A 15 -2.022 3.343 -7.647 0.50 0.00 C ATOM 349 C AMET A 15 -1.759 4.300 -7.790 0.50 0.00 C ATOM 350 C BMET A 15 -0.973 4.360 -8.080 0.50 0.00 C ATOM 351 O AMET A 15 -1.874 5.123 -8.700 0.50 0.00 O ATOM 352 O BMET A 15 -1.257 5.260 -8.871 0.50 0.00 O ATOM 353 CB AMET A 15 -3.088 2.377 -8.678 0.50 0.00 C ATOM 354 CB BMET A 15 -2.104 2.211 -8.674 0.50 0.00 C ATOM 355 CG AMET A 15 -2.404 1.028 -8.521 0.50 0.00 C ATOM 356 CG BMET A 15 -1.310 0.975 -8.280 0.50 0.00 C ATOM 357 SD AMET A 15 -1.350 0.615 -9.924 0.50 0.00 S ATOM 358 SD BMET A 15 -2.362 -0.450 -7.947 0.50 0.00 S ATOM 359 CE AMET A 15 -1.679 -1.137 -10.091 0.50 0.00 C ATOM 360 CE BMET A 15 -2.494 -1.164 -9.584 0.50 0.00 C ATOM 0 H AMET A 15 -4.330 4.796 -7.783 0.50 0.00 H new ATOM 0 H BMET A 15 -3.686 4.419 -8.333 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.591 2.721 -6.616 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.726 2.930 -6.682 0.50 0.00 H new ATOM 0 HB2AMET A 15 -4.157 2.218 -8.822 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.149 1.933 -8.813 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.714 2.862 -9.580 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.740 2.576 -9.635 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.805 1.033 -7.611 0.50 0.00 H new ATOM 0 HG2BMET A 15 -0.611 0.727 -9.079 0.50 0.00 H new ATOM 0 HG3AMET A 15 -3.161 0.253 -8.400 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.715 1.197 -7.394 0.50 0.00 H new ATOM 0 HE1AMET A 15 -1.098 -1.539 -10.921 0.50 0.00 H new ATOM 0 HE1BMET A 15 -3.117 -2.057 -9.542 0.50 0.00 H new ATOM 0 HE2AMET A 15 -1.399 -1.649 -9.170 0.50 0.00 H new ATOM 0 HE2BMET A 15 -2.944 -0.439 -10.262 0.50 0.00 H new ATOM 0 HE3AMET A 15 -2.741 -1.291 -10.284 0.50 0.00 H new ATOM 0 HE3BMET A 15 -1.501 -1.431 -9.946 0.50 0.00 H new ATOM 379 N ASER A 16 -0.676 4.215 -7.024 0.50 0.00 N ATOM 380 N BSER A 16 0.241 4.213 -7.558 0.50 0.00 N ATOM 381 CA ASER A 16 0.464 5.107 -7.209 0.50 0.00 C ATOM 382 CA BSER A 16 1.332 5.123 -7.886 0.50 0.00 C ATOM 383 C ASER A 16 1.392 4.583 -8.304 0.50 0.00 C ATOM 384 C BSER A 16 2.050 4.673 -9.154 0.50 0.00 C ATOM 385 O ASER A 16 1.518 3.374 -8.497 0.50 0.00 O ATOM 386 O BSER A 16 2.190 3.477 -9.410 0.50 0.00 O ATOM 387 CB ASER A 16 1.238 5.259 -5.899 0.50 0.00 C ATOM 388 CB BSER A 16 2.324 5.204 -6.724 0.50 0.00 C ATOM 389 OG ASER A 16 0.862 6.444 -5.220 0.50 0.00 O ATOM 390 OG BSER A 16 2.510 3.933 -6.122 0.50 0.00 O ATOM 0 H ASER A 16 -0.564 3.538 -6.269 0.50 0.00 H new ATOM 0 H BSER A 16 0.494 3.471 -6.905 0.50 0.00 H new ATOM 0 HA ASER A 16 0.085 6.082 -7.514 0.50 0.00 H new ATOM 0 HA BSER A 16 0.908 6.112 -8.061 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.052 4.395 -5.260 0.50 0.00 H new ATOM 0 HB2BSER A 16 3.281 5.583 -7.084 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.308 5.278 -6.105 0.50 0.00 H new ATOM 0 HB3BSER A 16 1.960 5.913 -5.980 0.50 0.00 H new ATOM 0 HG ASER A 16 0.059 6.273 -4.684 0.50 0.00 H new ATOM 0 HG BSER A 16 3.392 3.898 -5.697 0.50 0.00 H new ATOM 401 N AARG A 17 2.036 5.502 -9.015 0.50 0.00 N ATOM 402 N BARG A 17 2.503 5.639 -9.945 0.50 0.00 N ATOM 403 CA AARG A 17 2.950 5.134 -10.089 0.50 0.00 C ATOM 404 CA BARG A 17 3.206 5.345 -11.189 0.50 0.00 C ATOM 405 C AARG A 17 4.392 5.122 -9.595 0.50 0.00 C ATOM 406 C BARG A 17 4.715 5.311 -10.964 0.50 0.00 C ATOM 407 O AARG A 17 4.656 5.350 -8.415 0.50 0.00 O ATOM 408 O BARG A 17 5.490 5.734 -11.821 0.50 0.00 O ATOM 409 CB AARG A 17 2.809 6.106 -11.261 0.50 0.00 C ATOM 410 CB BARG A 17 2.862 6.387 -12.252 0.50 0.00 C ATOM 411 CG AARG A 17 3.235 7.526 -10.929 0.50 0.00 C ATOM 412 CG BARG A 17 3.246 5.967 -13.662 0.50 0.00 C ATOM 413 CD AARG A 17 3.953 8.180 -12.099 0.50 0.00 C ATOM 414 CD BARG A 17 3.479 7.174 -14.559 0.50 0.00 C ATOM 415 NE AARG A 17 5.141 7.433 -12.500 0.50 0.00 N ATOM 416 NE BARG A 17 4.535 8.043 -14.044 0.50 0.00 N ATOM 417 CZ AARG A 17 5.708 7.538 -13.697 0.50 0.00 C ATOM 418 CZ BARG A 17 5.830 7.769 -14.154 0.50 0.00 C ATOM 419 NH1AARG A 17 5.197 8.357 -14.605 0.50 0.00 N ATOM 420 NH1BARG A 17 6.228 6.658 -14.757 0.50 0.00 N ATOM 421 NH2AARG A 17 6.789 6.824 -13.986 0.50 0.00 N ATOM 422 NH2BARG A 17 6.732 8.611 -13.660 0.50 0.00 N ATOM 0 H AARG A 17 1.942 6.507 -8.867 0.50 0.00 H new ATOM 0 H BARG A 17 2.396 6.634 -9.747 0.50 0.00 H new ATOM 0 HA AARG A 17 2.691 4.130 -10.425 0.50 0.00 H new ATOM 0 HA BARG A 17 2.885 4.363 -11.536 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.406 5.743 -12.097 0.50 0.00 H new ATOM 0 HB2BARG A 17 1.791 6.586 -12.220 0.50 0.00 H new ATOM 0 HB3AARG A 17 1.770 6.115 -11.591 0.50 0.00 H new ATOM 0 HB3BARG A 17 3.368 7.322 -12.010 0.50 0.00 H new ATOM 0 HG2AARG A 17 2.359 8.117 -10.662 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.149 5.358 -13.628 0.50 0.00 H new ATOM 0 HG3AARG A 17 3.890 7.516 -10.058 0.50 0.00 H new ATOM 0 HG3BARG A 17 2.457 5.345 -14.085 0.50 0.00 H new ATOM 0 HD2AARG A 17 3.271 8.257 -12.946 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.744 6.836 -15.561 0.50 0.00 H new ATOM 0 HD3AARG A 17 4.239 9.196 -11.827 0.50 0.00 H new ATOM 0 HD3BARG A 17 2.553 7.743 -14.649 0.50 0.00 H new ATOM 0 HE AARG A 17 5.559 6.795 -11.823 0.50 0.00 H new ATOM 0 HE BARG A 17 4.263 8.907 -13.575 0.50 0.00 H new ATOM 0 HH11AARG A 17 4.367 8.908 -14.385 0.50 0.00 H new ATOM 0 HH11BARG A 17 5.539 6.010 -15.139 0.50 0.00 H new ATOM 0 HH12AARG A 17 5.634 8.436 -15.523 0.50 0.00 H new ATOM 0 HH12BARG A 17 7.223 6.451 -14.840 0.50 0.00 H new ATOM 0 HH21AARG A 17 7.185 6.194 -13.289 0.50 0.00 H new ATOM 0 HH21BARG A 17 6.430 9.468 -13.196 0.50 0.00 H new ATOM 0 HH22AARG A 17 7.223 6.906 -14.905 0.50 0.00 H new ATOM 0 HH22BARG A 17 7.726 8.400 -13.745 0.50 0.00 H new ATOM 449 N AASN A 18 5.322 4.851 -10.505 0.50 0.00 N ATOM 450 N BASN A 18 5.125 4.804 -9.805 0.50 0.00 N ATOM 451 CA AASN A 18 6.738 4.808 -10.161 0.50 0.00 C ATOM 452 CA BASN A 18 6.540 4.717 -9.467 0.50 0.00 C ATOM 453 C AASN A 18 7.048 3.603 -9.278 0.50 0.00 C ATOM 454 C BASN A 18 6.804 3.544 -8.530 0.50 0.00 C ATOM 455 O AASN A 18 7.621 2.616 -9.736 0.50 0.00 O ATOM 456 O BASN A 18 7.781 2.812 -8.692 0.50 0.00 O ATOM 457 CB AASN A 18 7.152 6.098 -9.449 0.50 0.00 C ATOM 458 CB BASN A 18 7.013 6.019 -8.817 0.50 0.00 C ATOM 459 CG AASN A 18 8.149 6.908 -10.253 0.50 0.00 C ATOM 460 CG BASN A 18 7.560 7.005 -9.832 0.50 0.00 C ATOM 461 OD1AASN A 18 9.265 6.458 -10.517 0.50 0.00 O ATOM 462 OD1BASN A 18 7.944 6.626 -10.938 0.50 0.00 O ATOM 463 ND2AASN A 18 7.753 8.114 -10.646 0.50 0.00 N ATOM 464 ND2BASN A 18 7.600 8.278 -9.456 0.50 0.00 N ATOM 0 H AASN A 18 5.120 4.658 -11.486 0.50 0.00 H new ATOM 0 H BASN A 18 4.497 4.448 -9.085 0.50 0.00 H new ATOM 0 HA AASN A 18 7.307 4.714 -11.086 0.50 0.00 H new ATOM 0 HA BASN A 18 7.098 4.556 -10.389 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.267 6.704 -9.257 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.182 6.477 -8.280 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.586 5.852 -8.480 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.784 5.795 -8.080 0.50 0.00 H new ATOM 0 HD21AASN A 18 8.382 8.706 -11.188 0.50 0.00 H new ATOM 0 HD21BASN A 18 7.960 8.987 -10.095 0.50 0.00 H new ATOM 0 HD22AASN A 18 6.820 8.448 -10.405 0.50 0.00 H new ATOM 0 HD22BASN A 18 7.271 8.546 -8.529 0.50 0.00 H new ATOM 477 N ASER A 19 6.661 3.692 -8.009 0.50 0.00 N ATOM 478 N BSER A 19 5.925 3.366 -7.548 0.50 0.00 N ATOM 479 CA ASER A 19 6.899 2.611 -7.061 0.50 0.00 C ATOM 480 CA BSER A 19 6.063 2.284 -6.583 0.50 0.00 C ATOM 481 C ASER A 19 5.907 1.473 -7.274 0.50 0.00 C ATOM 482 C BSER A 19 4.896 1.306 -6.690 0.50 0.00 C ATOM 483 O ASER A 19 6.211 0.311 -7.006 0.50 0.00 O ATOM 484 O BSER A 19 4.999 0.150 -6.282 0.50 0.00 O ATOM 485 CB ASER A 19 6.794 3.132 -5.625 0.50 0.00 C ATOM 486 CB BSER A 19 6.142 2.845 -5.162 0.50 0.00 C ATOM 487 OG ASER A 19 8.044 3.055 -4.963 0.50 0.00 O ATOM 488 OG BSER A 19 4.947 3.523 -4.815 0.50 0.00 O ATOM 0 H ASER A 19 6.182 4.501 -7.615 0.50 0.00 H new ATOM 0 H BSER A 19 5.109 3.959 -7.401 0.50 0.00 H new ATOM 0 HA ASER A 19 7.906 2.228 -7.229 0.50 0.00 H new ATOM 0 HA BSER A 19 6.986 1.748 -6.807 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.447 4.165 -5.634 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.322 2.034 -4.457 0.50 0.00 H new ATOM 0 HB3ASER A 19 6.052 2.551 -5.077 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.988 3.528 -5.084 0.50 0.00 H new ATOM 0 HG ASER A 19 7.951 3.395 -4.049 0.50 0.00 H new ATOM 0 HG BSER A 19 5.151 4.458 -4.603 0.50 0.00 H new ATOM 499 N AGLY A 20 4.717 1.816 -7.759 0.50 0.00 N ATOM 500 N BGLY A 20 3.784 1.781 -7.245 0.50 0.00 N ATOM 501 CA AGLY A 20 3.698 0.812 -8.000 0.50 0.00 C ATOM 502 CA BGLY A 20 2.613 0.937 -7.398 0.50 0.00 C ATOM 503 C AGLY A 20 3.133 0.237 -6.716 0.50 0.00 C ATOM 504 C BGLY A 20 2.023 0.518 -6.065 0.50 0.00 C ATOM 505 O AGLY A 20 3.132 -0.977 -6.519 0.50 0.00 O ATOM 506 O BGLY A 20 1.233 -0.424 -5.998 0.50 0.00 O ATOM 0 H AGLY A 20 4.441 2.771 -7.989 0.50 0.00 H new ATOM 0 H BGLY A 20 3.674 2.734 -7.591 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.890 1.253 -8.583 0.50 0.00 H new ATOM 0 HA2BGLY A 20 1.857 1.470 -7.975 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.121 0.006 -8.600 0.50 0.00 H new ATOM 0 HA3BGLY A 20 2.881 0.048 -7.969 0.50 0.00 H new ATOM 513 N AARG A 21 2.654 1.113 -5.838 0.50 0.00 N ATOM 514 N BARG A 21 2.408 1.217 -5.004 0.50 0.00 N ATOM 515 CA AARG A 21 2.088 0.686 -4.566 0.50 0.00 C ATOM 516 CA BARG A 21 1.915 0.909 -3.667 0.50 0.00 C ATOM 517 C AARG A 21 0.607 1.044 -4.482 0.50 0.00 C ATOM 518 C BARG A 21 0.447 1.307 -3.525 0.50 0.00 C ATOM 519 O AARG A 21 0.119 1.893 -5.228 0.50 0.00 O ATOM 520 O BARG A 21 0.131 2.402 -3.063 0.50 0.00 O ATOM 521 CB AARG A 21 2.846 1.333 -3.403 0.50 0.00 C ATOM 522 CB BARG A 21 2.753 1.634 -2.611 0.50 0.00 C ATOM 523 CG AARG A 21 3.630 0.340 -2.561 0.50 0.00 C ATOM 524 CG BARG A 21 3.999 0.869 -2.194 0.50 0.00 C ATOM 525 CD AARG A 21 4.962 0.919 -2.114 0.50 0.00 C ATOM 526 CD BARG A 21 5.152 1.810 -1.883 0.50 0.00 C ATOM 527 NE AARG A 21 4.792 1.992 -1.136 0.50 0.00 N ATOM 528 NE BARG A 21 4.881 2.639 -0.713 0.50 0.00 N ATOM 529 CZ AARG A 21 4.838 3.283 -1.447 0.50 0.00 C ATOM 530 CZ BARG A 21 4.453 3.894 -0.784 0.50 0.00 C ATOM 531 NH1AARG A 21 5.047 3.659 -2.700 0.50 0.00 N ATOM 532 NH1BARG A 21 4.246 4.461 -1.965 0.50 0.00 N ATOM 533 NH2AARG A 21 4.674 4.201 -0.502 0.50 0.00 N ATOM 534 NH2BARG A 21 4.229 4.584 0.326 0.50 0.00 N ATOM 0 H AARG A 21 2.647 2.122 -5.985 0.50 0.00 H new ATOM 0 H BARG A 21 3.060 2.001 -5.043 0.50 0.00 H new ATOM 0 HA AARG A 21 2.187 -0.397 -4.499 0.50 0.00 H new ATOM 0 HA BARG A 21 2.001 -0.167 -3.514 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.532 2.082 -3.799 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.048 2.609 -2.999 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.136 1.857 -2.764 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.136 1.815 -1.731 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.043 0.059 -1.687 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.777 0.261 -1.317 0.50 0.00 H new ATOM 0 HG3AARG A 21 3.802 -0.570 -3.136 0.50 0.00 H new ATOM 0 HG3BARG A 21 4.291 0.185 -2.991 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.574 0.128 -1.681 0.50 0.00 H new ATOM 0 HD2BARG A 21 6.058 1.229 -1.713 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.501 1.301 -2.981 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.340 2.450 -2.745 0.50 0.00 H new ATOM 0 HE AARG A 21 4.629 1.736 -0.162 0.50 0.00 H new ATOM 0 HE BARG A 21 5.029 2.232 0.211 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.173 2.957 -3.429 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.416 3.933 -2.821 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.082 4.651 -2.936 0.50 0.00 H new ATOM 0 HH12BARG A 21 3.917 5.425 -2.017 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.513 3.915 0.464 0.50 0.00 H new ATOM 0 HH21BARG A 21 4.385 4.151 1.236 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.710 5.192 -0.742 0.50 0.00 H new ATOM 0 HH22BARG A 21 3.900 5.548 0.270 0.50 0.00 H new ATOM 561 N AVAL A 22 -0.105 0.391 -3.568 0.50 0.00 N ATOM 562 N BVAL A 22 -0.445 0.407 -3.930 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.530 0.639 -3.387 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.879 0.663 -3.847 0.50 0.00 C ATOM 565 C AVAL A 22 -1.784 1.502 -2.156 0.50 0.00 C ATOM 566 C BVAL A 22 -2.293 1.016 -2.423 0.50 0.00 C ATOM 567 O AVAL A 22 -1.154 1.318 -1.114 0.50 0.00 O ATOM 568 O BVAL A 22 -1.785 0.444 -1.458 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.317 -0.678 -3.249 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.694 -0.556 -4.322 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.793 -0.396 -3.011 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.718 -1.631 -3.246 0.50 0.00 C ATOM 573 CG2AVAL A 22 -2.124 -1.545 -4.484 0.50 0.00 C ATOM 574 CG2BVAL A 22 -4.105 -0.137 -4.701 0.50 0.00 C ATOM 0 H AVAL A 22 0.283 -0.314 -2.941 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.200 -0.504 -4.318 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.875 1.167 -4.276 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.089 1.509 -4.502 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.932 -1.222 -2.387 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.214 -0.972 -5.208 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.333 -1.338 -2.916 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.298 -2.485 -3.597 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.910 0.183 -2.095 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.699 -1.950 -3.027 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.195 0.170 -3.851 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.175 -1.230 -2.341 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.687 -2.471 -4.370 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.667 -1.010 -5.034 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.481 -1.010 -5.364 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.599 0.303 -3.835 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -1.066 -1.776 -4.605 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -4.063 0.596 -5.506 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.712 2.443 -2.281 0.50 0.00 N ATOM 594 N BTYR A 23 -3.219 1.960 -2.300 0.50 0.00 N ATOM 595 CA ATYR A 23 -3.050 3.336 -1.179 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.702 2.390 -0.993 0.50 0.00 C ATOM 597 C ATYR A 23 -4.503 3.793 -1.273 0.50 0.00 C ATOM 598 C BTYR A 23 -5.163 2.820 -1.066 0.50 0.00 C ATOM 599 O ATYR A 23 -4.985 4.151 -2.347 0.50 0.00 O ATOM 600 O BTYR A 23 -5.776 2.797 -2.135 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.120 4.553 -1.179 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.846 3.544 -0.465 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.418 5.542 -2.282 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.873 4.771 -1.348 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.332 6.572 -2.088 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.664 5.866 -1.024 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.788 5.449 -3.517 0.50 0.00 C ATOM 608 CD2BTYR A 23 -2.108 4.836 -2.506 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.606 7.480 -3.093 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.693 6.988 -1.827 0.50 0.00 C ATOM 611 CE2ATYR A 23 -2.056 6.352 -4.526 0.50 0.00 C ATOM 612 CE2BTYR A 23 -2.128 5.956 -3.313 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.967 7.365 -4.309 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.922 7.029 -2.972 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.238 8.266 -5.314 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.948 8.146 -3.774 0.50 0.00 O ATOM 0 H ATYR A 23 -3.244 2.608 -3.135 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.650 2.442 -3.089 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.921 2.787 -0.246 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.625 1.545 -0.309 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.198 5.060 -0.217 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.193 3.816 0.532 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.089 4.212 -1.277 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.816 3.203 -0.362 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.836 6.664 -1.137 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -4.267 5.839 -0.128 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -1.076 4.656 -3.691 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.487 3.996 -2.780 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -4.317 8.276 -2.927 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.315 7.830 -1.561 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.556 6.266 -5.479 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.524 5.991 -4.208 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.703 8.045 -6.105 0.50 0.00 H new ATOM 0 HH BTYR A 23 -2.349 8.014 -4.538 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.193 3.776 -0.140 0.50 0.00 N ATOM 636 N BTYR A 24 -5.717 3.211 0.076 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.594 4.185 -0.091 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.107 3.643 0.143 0.50 0.00 C ATOM 639 C ATYR A 24 -6.729 5.596 0.476 0.50 0.00 C ATOM 640 C BTYR A 24 -7.218 5.025 0.782 0.50 0.00 C ATOM 641 O ATYR A 24 -5.888 6.048 1.253 0.50 0.00 O ATOM 642 O BTYR A 24 -6.763 5.240 1.906 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.406 3.203 0.753 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.938 2.634 0.937 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.130 1.753 0.428 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.984 1.260 0.308 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.445 1.229 -0.819 0.50 0.00 C ATOM 648 CD1BTYR A 24 -8.986 0.920 -0.593 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.556 0.907 1.367 0.50 0.00 C ATOM 650 CD2BTYR A 24 -7.028 0.301 0.616 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.195 -0.097 -1.121 0.50 0.00 C ATOM 652 CE1BTYR A 24 -9.033 -0.335 -1.170 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.301 -0.418 1.075 0.50 0.00 C ATOM 654 CE2BTYR A 24 -7.066 -0.955 0.044 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.623 -0.915 -0.171 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.070 -1.269 -0.849 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.372 -2.236 -0.467 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.112 -2.520 -1.420 0.50 0.00 O ATOM 0 H ATYR A 24 -4.807 3.484 0.758 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.224 3.238 0.969 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.983 4.183 -1.109 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.493 3.701 -0.875 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.190 3.378 1.807 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.528 2.550 1.943 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.468 3.403 0.608 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.955 3.013 1.038 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.893 1.868 -1.566 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.741 1.649 -0.847 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.304 1.292 2.344 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -6.241 0.542 1.315 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.446 -0.489 -2.095 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.819 -0.583 -1.868 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -5.852 -1.061 1.817 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.314 -1.688 0.294 0.50 0.00 H new ATOM 0 HH ATYR A 24 -5.966 -2.674 0.310 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.362 -3.056 -1.089 0.50 0.00 H new ATOM 677 N APHE A 25 -7.796 6.285 0.083 0.50 0.00 N ATOM 678 N BPHE A 25 -7.825 5.958 0.057 0.50 0.00 N ATOM 679 CA APHE A 25 -8.042 7.644 0.551 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.997 7.318 0.551 0.50 0.00 C ATOM 681 C APHE A 25 -9.508 7.830 0.929 0.50 0.00 C ATOM 682 C BPHE A 25 -9.459 7.746 0.474 0.50 0.00 C ATOM 683 O APHE A 25 -10.406 7.546 0.137 0.50 0.00 O ATOM 684 O BPHE A 25 -10.077 7.693 -0.589 0.50 0.00 O ATOM 685 CB APHE A 25 -7.650 8.656 -0.527 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.128 8.288 -0.253 0.50 0.00 C ATOM 687 CG APHE A 25 -6.937 9.863 0.015 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.313 9.726 0.140 0.50 0.00 C ATOM 689 CD1APHE A 25 -7.641 11.010 0.343 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.243 10.520 -0.513 0.50 0.00 C ATOM 691 CD2APHE A 25 -5.564 9.848 0.195 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.559 10.283 1.159 0.50 0.00 C ATOM 693 CE1APHE A 25 -6.988 12.120 0.842 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.417 11.844 -0.153 0.50 0.00 C ATOM 695 CE2APHE A 25 -4.905 10.957 0.694 0.50 0.00 C ATOM 696 CE2BPHE A 25 -6.728 11.605 1.523 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.617 12.094 1.018 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.657 12.388 0.863 0.50 0.00 C ATOM 0 H APHE A 25 -8.503 5.925 -0.558 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.206 5.797 -0.875 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.431 7.813 1.438 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.686 7.340 1.595 0.50 0.00 H new ATOM 0 HB2APHE A 25 -7.010 8.165 -1.260 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.080 8.017 -0.124 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.548 8.980 -1.054 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.358 8.177 -1.313 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.712 11.037 0.207 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -8.838 10.100 -1.311 0.50 0.00 H new ATOM 0 HD2APHE A 25 -5.002 8.961 -0.057 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -5.830 9.677 1.676 0.50 0.00 H new ATOM 0 HE1APHE A 25 -7.548 13.008 1.095 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -9.147 12.452 -0.666 0.50 0.00 H new ATOM 0 HE2APHE A 25 -3.834 10.933 0.830 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.135 12.026 2.322 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.105 12.961 1.408 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -7.788 13.423 1.142 0.50 0.00 H new ATOM 717 N AASN A 26 -9.742 8.306 2.148 0.50 0.00 N ATOM 718 N BASN A 26 -10.007 8.168 1.608 0.50 0.00 N ATOM 719 CA AASN A 26 -11.100 8.531 2.633 0.50 0.00 C ATOM 720 CA BASN A 26 -11.398 8.603 1.669 0.50 0.00 C ATOM 721 C AASN A 26 -11.536 9.971 2.386 0.50 0.00 C ATOM 722 C BASN A 26 -11.492 10.125 1.679 0.50 0.00 C ATOM 723 O AASN A 26 -11.010 10.903 2.992 0.50 0.00 O ATOM 724 O BASN A 26 -10.926 10.788 2.550 0.50 0.00 O ATOM 725 CB AASN A 26 -11.189 8.209 4.127 0.50 0.00 C ATOM 726 CB BASN A 26 -12.078 8.031 2.916 0.50 0.00 C ATOM 727 CG AASN A 26 -12.615 8.230 4.639 0.50 0.00 C ATOM 728 CG BASN A 26 -13.550 8.390 2.987 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.037 9.183 5.295 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.088 9.032 2.085 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.367 7.177 4.341 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.208 7.978 4.064 0.50 0.00 N ATOM 0 H AASN A 26 -9.010 8.543 2.818 0.50 0.00 H new ATOM 0 H BASN A 26 -9.510 8.218 2.497 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.769 7.869 2.083 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.909 8.231 0.781 0.50 0.00 H new ATOM 0 HB2AASN A 26 -10.755 7.226 4.311 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.971 6.946 2.920 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.594 8.930 4.687 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.572 8.405 3.806 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.336 7.136 4.658 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.200 8.191 4.168 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.976 6.409 3.795 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.722 7.448 4.787 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.503 10.144 1.489 0.50 0.00 N ATOM 746 N BHIS A 27 -12.209 10.675 0.705 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.013 11.470 1.161 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.380 12.120 0.602 0.50 0.00 C ATOM 749 C AHIS A 27 -14.050 11.923 2.185 0.50 0.00 C ATOM 750 C BHIS A 27 -13.297 12.640 1.704 0.50 0.00 C ATOM 751 O AHIS A 27 -14.619 13.009 2.068 0.50 0.00 O ATOM 752 O BHIS A 27 -13.425 13.848 1.900 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.626 11.472 -0.239 0.50 0.00 C ATOM 754 CB BHIS A 27 -12.946 12.491 -0.769 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.957 10.788 -0.311 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.058 11.596 -1.219 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.184 11.194 0.093 0.50 0.00 N flip ATOM 758 ND1BHIS A 27 -15.329 11.648 -0.686 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.129 9.529 -0.845 0.50 0.00 C flip ATOM 760 CD2BHIS A 27 -14.085 10.622 -2.159 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.066 10.182 -0.206 0.50 0.00 C flip ATOM 762 CE1BHIS A 27 -16.088 10.743 -1.278 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.403 9.190 -0.771 0.50 0.00 N flip ATOM 764 NE2BHIS A 27 -15.358 10.109 -2.176 0.50 0.00 N ATOM 0 H AHIS A 27 -12.948 9.382 0.977 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.681 10.142 -0.025 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.177 12.169 1.184 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.402 12.586 0.720 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.738 12.502 -0.576 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.308 13.519 -0.738 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -12.938 10.983 -0.929 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.143 12.458 -1.506 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -16.412 12.084 0.536 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.343 8.915 -1.260 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -13.259 10.307 -2.780 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.128 10.196 -0.010 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -17.129 10.554 -1.063 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -15.687 9.359 -2.784 0.50 0.00 H new ATOM 779 N AILE A 28 -14.290 11.085 3.187 0.50 0.00 N ATOM 780 N BILE A 28 -13.933 11.720 2.421 0.50 0.00 N ATOM 781 CA AILE A 28 -15.257 11.400 4.231 0.50 0.00 C ATOM 782 CA BILE A 28 -14.838 12.085 3.503 0.50 0.00 C ATOM 783 C AILE A 28 -14.589 12.113 5.402 0.50 0.00 C ATOM 784 C BILE A 28 -14.078 12.293 4.808 0.50 0.00 C ATOM 785 O AILE A 28 -15.194 12.971 6.046 0.50 0.00 O ATOM 786 O BILE A 28 -14.302 13.272 5.522 0.50 0.00 O ATOM 787 CB AILE A 28 -15.959 10.130 4.750 0.50 0.00 C ATOM 788 CB BILE A 28 -15.921 11.012 3.717 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.919 9.582 3.693 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.678 10.754 2.414 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.701 10.427 6.044 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.880 11.441 4.818 0.50 0.00 C ATOM 793 CD1AILE A 28 -17.777 8.440 4.189 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.013 10.068 2.616 0.50 0.00 C ATOM 0 H AILE A 28 -13.828 10.182 3.298 0.50 0.00 H new ATOM 0 H BILE A 28 -13.838 10.715 2.272 0.50 0.00 H new ATOM 0 HA AILE A 28 -16.001 12.059 3.784 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.318 13.020 3.212 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.202 9.372 4.953 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.438 10.084 4.024 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.566 10.389 3.349 0.50 0.00 H new ATOM 0 HG12BILE A 28 -16.840 11.703 1.903 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.343 9.245 2.831 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.059 10.141 1.759 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.192 9.521 6.398 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.640 10.673 4.958 0.50 0.00 H new ATOM 0 HG22AILE A 28 -15.994 10.775 6.797 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.328 11.579 5.748 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.450 11.199 5.865 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.360 12.379 4.538 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.433 8.102 3.386 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.494 9.917 1.650 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.138 7.616 4.506 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.857 9.103 3.099 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.380 8.777 5.032 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.650 10.690 3.245 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.339 11.755 5.671 0.50 0.00 N ATOM 818 N BTHR A 29 -13.175 11.365 5.116 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.589 12.360 6.764 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.381 11.447 6.336 0.50 0.00 C ATOM 821 C ATHR A 29 -11.138 12.605 6.365 0.50 0.00 C ATOM 822 C BTHR A 29 -11.088 12.218 6.099 0.50 0.00 C ATOM 823 O ATHR A 29 -10.262 12.729 7.220 0.50 0.00 O ATOM 824 O BTHR A 29 -10.500 12.765 7.032 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.621 11.477 8.024 0.50 0.00 C ATOM 826 CB BTHR A 29 -12.039 10.047 6.877 0.50 0.00 C ATOM 827 OG1ATHR A 29 -12.326 10.118 7.680 0.50 0.00 O ATOM 828 OG1BTHR A 29 -11.350 9.290 5.876 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.981 11.550 8.704 0.50 0.00 C ATOM 830 CG2BTHR A 29 -13.300 9.308 7.303 0.50 0.00 C ATOM 0 H ATHR A 29 -12.823 11.048 5.147 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.976 10.549 4.537 0.50 0.00 H new ATOM 0 HA ATHR A 29 -13.068 13.314 6.986 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.986 11.976 7.073 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.866 11.847 8.717 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.395 10.165 7.749 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -12.917 9.828 6.954 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -11.134 8.401 6.229 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.978 10.918 9.592 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -13.033 8.321 7.682 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.188 12.580 8.993 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.806 9.873 8.086 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.751 11.204 8.015 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.965 9.200 6.446 0.50 0.00 H new ATOM 845 N AASN A 30 -10.891 12.674 5.062 0.50 0.00 N ATOM 846 N BASN A 30 -10.649 12.259 4.845 0.50 0.00 N ATOM 847 CA AASN A 30 -9.544 12.904 4.549 0.50 0.00 C ATOM 848 CA BASN A 30 -9.424 12.963 4.486 0.50 0.00 C ATOM 849 C AASN A 30 -8.538 11.985 5.234 0.50 0.00 C ATOM 850 C BASN A 30 -8.202 12.259 5.066 0.50 0.00 C ATOM 851 O AASN A 30 -7.355 12.311 5.340 0.50 0.00 O ATOM 852 O BASN A 30 -7.233 12.905 5.466 0.50 0.00 O ATOM 853 CB AASN A 30 -9.141 14.365 4.754 0.50 0.00 C ATOM 854 CB BASN A 30 -9.478 14.410 4.983 0.50 0.00 C ATOM 855 CG AASN A 30 -10.332 15.304 4.722 0.50 0.00 C ATOM 856 CG BASN A 30 -8.812 15.376 4.024 0.50 0.00 C ATOM 857 OD1AASN A 30 -10.525 16.112 5.631 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.347 16.444 3.728 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.138 15.199 3.673 0.50 0.00 N ATOM 860 ND2BASN A 30 -7.635 15.005 3.533 0.50 0.00 N ATOM 0 H AASN A 30 -11.605 12.574 4.341 0.50 0.00 H new ATOM 0 H BASN A 30 -11.124 11.813 4.060 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.544 12.681 3.482 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.339 12.962 3.399 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.627 14.467 5.710 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.518 14.703 5.126 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.432 14.656 3.979 0.50 0.00 H new ATOM 0 HB3BASN A 30 -8.992 14.475 5.956 0.50 0.00 H new ATOM 0 HD21AASN A 30 -11.957 15.803 3.596 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.138 15.615 2.883 0.50 0.00 H new ATOM 0 HD22AASN A 30 -10.939 14.515 2.943 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.228 14.110 3.806 0.50 0.00 H new ATOM 873 N AALA A 31 -9.015 10.835 5.700 0.50 0.00 N ATOM 874 N BALA A 31 -8.254 10.932 5.107 0.50 0.00 N ATOM 875 CA AALA A 31 -8.156 9.869 6.373 0.50 0.00 C ATOM 876 CA BALA A 31 -7.149 10.141 5.635 0.50 0.00 C ATOM 877 C AALA A 31 -7.365 9.042 5.365 0.50 0.00 C ATOM 878 C BALA A 31 -6.828 8.966 4.718 0.50 0.00 C ATOM 879 O AALA A 31 -7.824 8.799 4.249 0.50 0.00 O ATOM 880 O BALA A 31 -7.730 8.299 4.208 0.50 0.00 O ATOM 881 CB AALA A 31 -8.985 8.961 7.269 0.50 0.00 C ATOM 882 CB BALA A 31 -7.478 9.645 7.037 0.50 0.00 C ATOM 0 H AALA A 31 -9.991 10.550 5.624 0.50 0.00 H new ATOM 0 H BALA A 31 -9.049 10.382 4.781 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.445 10.419 6.989 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.268 10.780 5.685 0.50 0.00 H new ATOM 0 HB1AALA A 31 -8.331 8.244 7.766 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.645 9.056 7.419 0.50 0.00 H new ATOM 0 HB2AALA A 31 -9.501 9.562 8.018 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.651 10.498 7.693 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.718 8.426 6.666 0.50 0.00 H new ATOM 0 HB3BALA A 31 -8.374 9.026 7.003 0.50 0.00 H new ATOM 893 N ASER A 32 -6.173 8.609 5.766 0.50 0.00 N ATOM 894 N BSER A 32 -5.539 8.714 4.513 0.50 0.00 N ATOM 895 CA ASER A 32 -5.317 7.813 4.896 0.50 0.00 C ATOM 896 CA BSER A 32 -5.101 7.622 3.653 0.50 0.00 C ATOM 897 C ASER A 32 -4.773 6.595 5.636 0.50 0.00 C ATOM 898 C BSER A 32 -4.625 6.436 4.484 0.50 0.00 C ATOM 899 O ASER A 32 -4.336 6.697 6.781 0.50 0.00 O ATOM 900 O BSER A 32 -4.282 6.583 5.658 0.50 0.00 O ATOM 901 CB ASER A 32 -4.159 8.663 4.368 0.50 0.00 C ATOM 902 CB BSER A 32 -3.978 8.094 2.726 0.50 0.00 C ATOM 903 OG ASER A 32 -2.978 7.890 4.238 0.50 0.00 O ATOM 904 OG BSER A 32 -3.416 9.313 3.184 0.50 0.00 O ATOM 0 H ASER A 32 -5.779 8.797 6.688 0.50 0.00 H new ATOM 0 H BSER A 32 -4.780 9.252 4.931 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.917 7.467 4.055 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.951 7.303 3.049 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.427 9.089 3.401 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.202 7.330 2.671 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.978 9.498 5.045 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.367 8.226 1.716 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.253 8.455 3.898 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.700 9.592 2.576 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.804 5.445 4.972 0.50 0.00 N ATOM 916 N BGLN A 33 -4.605 5.260 3.866 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.315 4.206 5.568 0.50 0.00 C ATOM 918 CA BGLN A 33 -4.171 4.045 4.550 0.50 0.00 C ATOM 919 C AGLN A 33 -3.520 3.391 4.553 0.50 0.00 C ATOM 920 C BGLN A 33 -3.867 2.936 3.547 0.50 0.00 C ATOM 921 O AGLN A 33 -3.431 3.758 3.381 0.50 0.00 O ATOM 922 O BGLN A 33 -4.622 2.718 2.599 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.484 3.378 6.104 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.244 3.578 5.534 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.440 3.168 7.610 0.50 0.00 C ATOM 926 CG BGLN A 33 -4.866 2.317 6.293 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.812 3.242 8.250 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.810 2.023 7.443 0.50 0.00 C ATOM 929 OE1AGLN A 33 -6.992 3.881 9.285 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.622 2.514 8.557 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.789 2.585 7.635 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.831 1.217 7.180 0.50 0.00 N ATOM 0 H AGLN A 33 -5.162 5.344 4.022 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.883 5.121 2.895 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.654 4.465 6.395 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.258 4.273 5.100 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.419 3.872 5.841 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -5.442 4.377 6.249 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.487 2.406 5.610 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -6.172 3.400 4.990 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -4.995 2.196 7.825 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -4.862 1.471 5.606 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -4.793 3.921 8.059 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -3.851 2.419 6.678 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.595 2.067 6.778 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.949 0.832 6.243 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.734 2.598 8.020 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.498 0.982 7.915 0.50 0.00 H new ATOM 949 N APHE A 34 -2.948 2.283 5.010 0.50 0.00 N ATOM 950 N BPHE A 34 -2.757 2.238 3.763 0.50 0.00 N ATOM 951 CA APHE A 34 -2.160 1.415 4.141 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.353 1.152 2.879 0.50 0.00 C ATOM 953 C APHE A 34 -2.607 -0.039 4.276 0.50 0.00 C ATOM 954 C BPHE A 34 -3.211 -0.088 3.111 0.50 0.00 C ATOM 955 O APHE A 34 -1.801 -0.959 4.143 0.50 0.00 O ATOM 956 O BPHE A 34 -3.549 -0.806 2.172 0.50 0.00 O ATOM 957 CB APHE A 34 -0.673 1.537 4.478 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.876 0.813 3.094 0.50 0.00 C ATOM 959 CG APHE A 34 0.153 2.091 3.352 0.50 0.00 C ATOM 960 CG BPHE A 34 0.045 1.979 2.872 0.50 0.00 C ATOM 961 CD1APHE A 34 1.163 1.336 2.779 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.828 2.465 3.907 0.50 0.00 C ATOM 963 CD2APHE A 34 -0.080 3.368 2.868 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.127 2.585 1.630 0.50 0.00 C ATOM 965 CE1APHE A 34 1.925 1.843 1.743 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.678 3.537 3.706 0.50 0.00 C ATOM 967 CE2APHE A 34 0.677 3.880 1.833 0.50 0.00 C ATOM 968 CE2BPHE A 34 0.976 3.658 1.424 0.50 0.00 C ATOM 969 CZ APHE A 34 1.682 3.117 1.269 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.750 4.136 2.463 0.50 0.00 C ATOM 0 H APHE A 34 -3.015 1.964 5.977 0.50 0.00 H new ATOM 0 H BPHE A 34 -2.121 2.405 4.543 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.319 1.731 3.110 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.496 1.483 1.850 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.558 2.178 5.352 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.741 0.442 4.110 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.289 0.554 4.751 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.595 0.005 2.419 0.50 0.00 H new ATOM 0 HD1APHE A 34 1.358 0.339 3.146 0.50 0.00 H new ATOM 0 HD1BPHE A 34 0.774 2.002 4.881 0.50 0.00 H new ATOM 0 HD2APHE A 34 -0.863 3.970 3.305 0.50 0.00 H new ATOM 0 HD2BPHE A 34 -0.477 2.217 0.814 0.50 0.00 H new ATOM 0 HE1APHE A 34 2.709 1.244 1.305 0.50 0.00 H new ATOM 0 HE1BPHE A 34 2.285 3.906 4.520 0.50 0.00 H new ATOM 0 HE2APHE A 34 0.484 4.877 1.464 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.033 4.122 0.450 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.276 3.516 0.460 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.410 4.976 2.304 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.895 -0.233 4.539 0.50 0.00 N ATOM 990 N BGLU A 35 -3.557 -0.332 4.372 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.447 -1.573 4.691 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.374 -1.486 4.729 0.50 0.00 C ATOM 993 C AGLU A 35 -5.909 -1.612 4.256 0.50 0.00 C ATOM 994 C BGLU A 35 -5.855 -1.195 4.503 0.50 0.00 C ATOM 995 O AGLU A 35 -6.535 -0.572 4.055 0.50 0.00 O ATOM 996 O BGLU A 35 -6.341 -0.111 4.826 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.326 -2.036 6.147 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.136 -1.875 6.189 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.012 -2.735 6.453 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.670 -1.874 6.588 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.905 -1.763 6.817 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.217 -0.541 7.149 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -0.733 -2.194 6.877 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -2.478 -0.279 8.343 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -2.209 -0.573 7.041 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -1.605 0.243 6.393 0.50 0.00 O ATOM 0 H AGLU A 35 -4.574 0.519 4.651 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.285 0.253 5.162 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.877 -2.247 4.052 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.083 -2.318 4.087 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.431 -1.173 6.804 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.680 -1.184 6.833 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.150 -2.712 6.375 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.551 -2.868 6.364 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.160 -3.436 7.275 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.500 -2.653 7.331 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.706 -3.321 5.586 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.061 -2.124 5.719 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.446 -2.819 4.112 0.50 0.00 N ATOM 1020 N BARG A 36 -6.564 -2.169 3.945 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.832 -2.995 3.698 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.990 -2.019 3.673 0.50 0.00 C ATOM 1023 C AARG A 36 -8.786 -2.371 4.712 0.50 0.00 C ATOM 1024 C BARG A 36 -8.770 -1.809 4.968 0.50 0.00 C ATOM 1025 O AARG A 36 -8.922 -2.837 5.844 0.50 0.00 O ATOM 1026 O BARG A 36 -8.883 -2.705 5.806 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.152 -4.481 3.529 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.524 -3.247 2.938 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.412 -4.745 2.720 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.940 -3.077 2.414 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.209 -4.419 1.249 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.667 -4.410 2.328 0.50 0.00 C ATOM 1033 NE AARG A 36 -8.675 -5.556 0.505 0.50 0.00 N ATOM 1034 NE BARG A 36 -9.766 -5.503 1.971 0.50 0.00 N ATOM 1035 CZ AARG A 36 -8.775 -5.684 -0.812 0.50 0.00 C ATOM 1036 CZ BARG A 36 -9.195 -5.625 0.778 0.50 0.00 C ATOM 1037 NH1AARG A 36 -9.385 -4.751 -1.529 0.50 0.00 N ATOM 1038 NH1BARG A 36 -9.430 -4.727 -0.169 0.50 0.00 N ATOM 1039 NH2AARG A 36 -8.261 -6.750 -1.418 0.50 0.00 N ATOM 1040 NH2BARG A 36 -8.387 -6.648 0.531 0.50 0.00 N ATOM 0 H AARG A 36 -5.941 -3.690 4.276 0.50 0.00 H new ATOM 0 H BARG A 36 -6.175 -3.072 3.672 0.50 0.00 H new ATOM 0 HA AARG A 36 -7.965 -2.491 2.741 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.123 -1.141 3.041 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.309 -4.972 3.043 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.862 -3.476 2.103 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.261 -4.935 4.514 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.496 -4.104 3.612 0.50 0.00 H new ATOM 0 HG2AARG A 36 -9.701 -5.791 2.825 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.492 -2.402 3.068 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.232 -4.146 3.116 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.911 -2.613 1.428 0.50 0.00 H new ATOM 0 HD2AARG A 36 -10.159 -4.113 0.811 0.50 0.00 H new ATOM 0 HD2BARG A 36 -11.139 -4.628 3.286 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.528 -3.573 1.156 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.464 -4.341 1.588 0.50 0.00 H new ATOM 0 HE AARG A 36 -8.199 -6.292 1.026 0.50 0.00 H new ATOM 0 HE BARG A 36 -9.564 -6.211 2.677 0.50 0.00 H new ATOM 0 HH11AARG A 36 -9.780 -3.931 -1.069 0.50 0.00 H new ATOM 0 HH11BARG A 36 -10.051 -3.940 0.018 0.50 0.00 H new ATOM 0 HH12AARG A 36 -9.460 -4.853 -2.541 0.50 0.00 H new ATOM 0 HH12BARG A 36 -8.990 -4.824 -1.084 0.50 0.00 H new ATOM 0 HH21AARG A 36 -7.790 -7.470 -0.871 0.50 0.00 H new ATOM 0 HH21BARG A 36 -8.204 -7.341 1.257 0.50 0.00 H new ATOM 0 HH22AARG A 36 -8.338 -6.848 -2.430 0.50 0.00 H new ATOM 0 HH22BARG A 36 -7.948 -6.742 -0.385 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.463 -1.287 4.300 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.322 -0.598 5.138 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.415 -0.576 5.156 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.101 -0.242 6.328 0.50 0.00 C ATOM 1071 C APRO A 37 -11.680 -1.388 5.418 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.440 -0.969 6.381 0.50 0.00 C ATOM 1073 O APRO A 37 -12.345 -1.836 4.485 0.50 0.00 O ATOM 1074 O BPRO A 37 -11.955 -1.417 5.357 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.746 0.682 4.352 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.315 1.265 6.174 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.493 0.303 2.933 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.223 1.514 4.707 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.351 -0.677 2.964 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.227 0.516 4.181 0.50 0.00 C ATOM 0 HA APRO A 37 -9.999 -0.371 6.143 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.590 -0.521 7.249 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.782 0.986 4.502 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.285 1.569 6.567 0.50 0.00 H new ATOM 0 HB3APRO A 37 -10.120 1.521 4.655 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.559 1.830 6.719 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.380 -0.145 2.485 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.194 1.387 4.228 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.240 1.178 2.334 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -9.898 2.534 4.504 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.439 -1.422 2.173 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.474 0.198 3.168 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.391 -0.180 2.828 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.220 0.932 4.148 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.003 -1.575 6.694 0.50 0.00 N ATOM 1096 N BSER A 38 -12.000 -1.080 7.582 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.187 -2.337 7.078 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.279 -1.755 7.769 0.50 0.00 C ATOM 1099 C ASER A 38 -14.462 -1.568 6.742 0.50 0.00 C ATOM 1100 C BSER A 38 -14.366 -0.760 8.159 0.50 0.00 C ATOM 1101 O ASER A 38 -15.181 -1.914 5.806 0.50 0.00 O ATOM 1102 O BSER A 38 -14.078 0.367 8.563 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.150 -2.656 8.572 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.156 -2.839 8.842 0.50 0.00 C ATOM 1105 OG ASER A 38 -13.053 -1.472 9.346 0.50 0.00 O ATOM 1106 OG BSER A 38 -14.287 -3.693 8.836 0.50 0.00 O ATOM 0 H ASER A 38 -11.463 -1.210 7.479 0.50 0.00 H new ATOM 0 H BSER A 38 -11.588 -0.711 8.439 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.187 -3.270 6.514 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.558 -2.220 6.823 0.50 0.00 H new ATOM 0 HB2ASER A 38 -14.050 -3.204 8.852 0.50 0.00 H new ATOM 0 HB2BSER A 38 -12.253 -3.425 8.670 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.301 -3.305 8.787 0.50 0.00 H new ATOM 0 HB3BSER A 38 -13.052 -2.374 9.823 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.033 -1.704 10.298 0.50 0.00 H new ATOM 0 HG BSER A 38 -14.183 -4.378 9.529 0.50 0.00 H new ATOM 1117 N AGLY A 39 -14.734 -0.520 7.514 0.50 0.00 N ATOM 1118 N BGLY A 39 -15.621 -1.183 8.036 0.50 0.00 N ATOM 1119 CA AGLY A 39 -15.920 0.283 7.282 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.733 -0.317 8.378 0.50 0.00 C ATOM 1121 C AGLY A 39 -16.564 0.751 8.573 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.657 1.029 7.684 0.50 0.00 C ATOM 1123 O AGLY A 39 -15.854 1.213 9.462 0.50 0.00 O ATOM 1124 O BGLY A 39 -17.502 1.353 6.849 0.50 0.00 O ATOM 0 H AGLY A 39 -14.154 -0.213 8.295 0.50 0.00 H new ATOM 0 H BGLY A 39 -15.887 -2.111 7.705 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -15.656 1.150 6.676 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -17.668 -0.808 8.109 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.642 -0.298 6.709 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.752 -0.165 9.457 0.50 0.00 H new