USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 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= 0.439 K(o=-2.1,f=-16!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -0.458 K(o=-2.1,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= -2.09 USER MOD Set 2.1: A 13 LYS NZ A:NH3+ 155:sc= -0.114 (180deg=-0.543) USER MOD Set 2.2: 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 -36:sc= 0.407 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 B:NH3+ -120:sc= -0.544 (180deg=-3.54!) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.0454 K(o=-0.045,f=-1.5) USER MOD Single : A 18 ASN B: amide:sc= -0.481 X(o=-0.48,f=0) USER MOD Single : A 19 SER OG A: rot 58:sc= 0.00474 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.147 USER MOD Single : A 23 TYR OH A: rot -115:sc= 1.14 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 27 HIS A:FLIP no HD1:sc= -0.305 F(o=-1.6,f=-0.3) USER MOD Single : A 27 HIS B: no HD1:sc= -2.19 X(o=-2.2,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= 0.564 K(o=0.56,f=-0.044) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.62 USER MOD Single : A 32 SER OG B: rot 0:sc= 0.24 USER MOD Single : A 33 GLN A: amide:sc= -0.113 K(o=-0.11,f=-0.82) USER MOD Single : A 33 GLN B: amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0904 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.227 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -12.051 -4.050 -3.882 0.20 0.00 N ATOM 2 N BSER A 5 -12.795 -4.340 -4.249 0.80 0.00 N ATOM 3 CA ASER A 5 -13.190 -4.785 -4.422 0.20 0.00 C ATOM 4 CA BSER A 5 -13.989 -5.103 -4.595 0.80 0.00 C ATOM 5 C ASER A 5 -14.396 -4.672 -3.494 0.20 0.00 C ATOM 6 C BSER A 5 -15.106 -4.849 -3.586 0.80 0.00 C ATOM 7 O ASER A 5 -15.526 -4.481 -3.946 0.20 0.00 O ATOM 8 O BSER A 5 -16.107 -4.203 -3.898 0.80 0.00 O ATOM 9 CB ASER A 5 -12.824 -6.256 -4.625 0.20 0.00 C ATOM 10 CB BSER A 5 -13.669 -6.597 -4.650 0.80 0.00 C ATOM 11 OG ASER A 5 -13.740 -6.892 -5.501 0.20 0.00 O ATOM 12 OG BSER A 5 -12.906 -6.997 -3.525 0.80 0.00 O ATOM 0 HA ASER A 5 -13.452 -4.347 -5.385 0.20 0.00 H new ATOM 0 HA BSER A 5 -14.327 -4.775 -5.578 0.80 0.00 H new ATOM 0 HB2ASER A 5 -11.815 -6.331 -5.031 0.20 0.00 H new ATOM 0 HB2BSER A 5 -14.596 -7.169 -4.687 0.80 0.00 H new ATOM 0 HB3ASER A 5 -12.819 -6.769 -3.663 0.20 0.00 H new ATOM 0 HB3BSER A 5 -13.119 -6.821 -5.564 0.80 0.00 H new ATOM 0 HG ASER A 5 -13.484 -7.831 -5.616 0.20 0.00 H new ATOM 0 HG BSER A 5 -12.287 -6.279 -3.277 0.80 0.00 H new ATOM 23 N ALYS A 6 -14.149 -4.792 -2.194 0.20 0.00 N ATOM 24 N BLYS A 6 -14.927 -5.363 -2.373 0.80 0.00 N ATOM 25 CA ALYS A 6 -15.213 -4.702 -1.202 0.20 0.00 C ATOM 26 CA BLYS A 6 -15.918 -5.193 -1.316 0.80 0.00 C ATOM 27 C ALYS A 6 -14.857 -3.696 -0.111 0.20 0.00 C ATOM 28 C BLYS A 6 -15.436 -4.186 -0.276 0.80 0.00 C ATOM 29 O ALYS A 6 -14.155 -4.025 0.846 0.20 0.00 O ATOM 30 O BLYS A 6 -15.504 -4.441 0.926 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.472 -6.076 -0.577 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.210 -6.535 -0.644 0.80 0.00 C ATOM 33 CG ALYS A 6 -16.330 -6.984 -1.441 0.20 0.00 C ATOM 34 CG BLYS A 6 -16.434 -7.673 -1.626 0.80 0.00 C ATOM 35 CD ALYS A 6 -16.453 -8.374 -0.838 0.20 0.00 C ATOM 36 CD BLYS A 6 -16.648 -8.995 -0.909 0.80 0.00 C ATOM 37 CE ALYS A 6 -15.710 -9.410 -1.669 0.20 0.00 C ATOM 38 CE BLYS A 6 -15.394 -9.436 -0.168 0.80 0.00 C ATOM 39 NZ ALYS A 6 -16.559 -9.958 -2.762 0.20 0.00 N ATOM 40 NZ BLYS A 6 -15.517 -10.828 0.349 0.80 0.00 N ATOM 0 H ALYS A 6 -13.221 -4.952 -1.803 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.105 -5.901 -2.098 0.80 0.00 H new ATOM 0 HA ALYS A 6 -16.117 -4.361 -1.706 0.20 0.00 H new ATOM 0 HA BLYS A 6 -16.834 -4.812 -1.768 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -14.517 -6.565 -0.387 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -15.378 -6.791 0.012 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -15.959 -5.941 0.389 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -17.093 -6.431 -0.014 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -17.322 -6.547 -1.556 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -17.301 -7.452 -2.249 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -15.896 -7.056 -2.438 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -15.575 -7.754 -2.292 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -16.056 -8.368 0.177 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -17.474 -8.898 -0.204 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -17.505 -8.649 -0.767 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -16.933 -9.760 -1.631 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -14.815 -8.958 -2.096 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -14.535 -9.371 -0.836 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -15.379 -10.224 -1.024 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -15.204 -8.756 0.662 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -16.016 -10.660 -3.304 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -14.643 -11.092 0.847 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -17.401 -10.412 -2.353 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -16.321 -10.884 1.006 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -16.854 -9.186 -3.393 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -15.673 -11.481 -0.445 0.80 0.00 H new ATOM 67 N ALEU A 7 -15.347 -2.472 -0.262 0.20 0.00 N ATOM 68 N BLEU A 7 -14.952 -3.042 -0.748 0.80 0.00 N ATOM 69 CA ALEU A 7 -15.083 -1.417 0.712 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.461 -1.994 0.142 0.80 0.00 C ATOM 71 C ALEU A 7 -16.361 -0.657 1.052 0.20 0.00 C ATOM 72 C BLEU A 7 -15.615 -1.169 0.700 0.80 0.00 C ATOM 73 O ALEU A 7 -17.290 -0.565 0.250 0.20 0.00 O ATOM 74 O BLEU A 7 -16.684 -1.063 0.098 0.80 0.00 O ATOM 75 CB ALEU A 7 -14.029 -0.449 0.169 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.481 -1.086 -0.602 0.80 0.00 C ATOM 77 CG ALEU A 7 -13.069 -1.018 -0.875 0.20 0.00 C ATOM 78 CG BLEU A 7 -11.997 -1.393 -0.402 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.208 0.087 -1.467 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.712 -2.861 -0.685 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.198 -2.104 -0.263 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.143 -0.502 -1.292 0.80 0.00 C ATOM 0 H ALEU A 7 -15.929 -2.184 -1.049 0.20 0.00 H new ATOM 0 H BLEU A 7 -14.889 -2.816 -1.741 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.707 -1.882 1.623 0.20 0.00 H new ATOM 0 HA BLEU A 7 -13.944 -2.470 0.975 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.542 0.408 -0.268 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.703 -1.142 -1.668 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.442 -0.075 1.008 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.663 -0.057 -0.292 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.658 -1.462 -1.678 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.741 -1.188 0.637 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.531 -0.337 -2.208 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.651 -3.061 -0.537 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.847 0.831 -1.943 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.296 -3.482 -0.006 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.628 0.560 -0.675 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -11.985 -3.093 -1.714 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.521 -2.498 -1.021 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.090 -0.735 -1.136 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.618 -1.685 0.559 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.402 -0.675 -2.336 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.830 -2.909 0.112 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.325 0.543 -1.042 0.80 0.00 H new ATOM 105 N APRO A 8 -16.410 -0.098 2.270 0.20 0.00 N ATOM 106 N BPRO A 8 -15.397 -0.568 1.878 0.80 0.00 N ATOM 107 CA APRO A 8 -17.567 0.667 2.744 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.406 0.263 2.543 0.80 0.00 C ATOM 109 C APRO A 8 -17.719 2.000 2.019 0.20 0.00 C ATOM 110 C BPRO A 8 -16.653 1.576 1.808 0.80 0.00 C ATOM 111 O APRO A 8 -16.875 2.394 1.214 0.20 0.00 O ATOM 112 O BPRO A 8 -15.858 2.005 0.971 0.80 0.00 O ATOM 113 CB APRO A 8 -17.258 0.897 4.225 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.796 0.528 3.921 0.80 0.00 C ATOM 115 CG APRO A 8 -15.773 0.829 4.317 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.325 0.397 3.716 0.80 0.00 C ATOM 117 CD APRO A 8 -15.338 -0.168 3.279 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.147 -0.651 2.653 0.80 0.00 C ATOM 0 HA APRO A 8 -18.504 0.139 2.566 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.378 -0.229 2.580 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.632 1.864 4.562 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.058 1.521 4.286 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.729 0.138 4.850 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.158 -0.188 4.659 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.326 1.805 4.132 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.888 1.346 3.405 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.458 0.518 5.313 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.827 0.104 4.640 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.368 0.091 2.854 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.275 -0.449 2.031 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.245 -1.170 3.698 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.007 -1.642 3.085 0.80 0.00 H new ATOM 133 N APRO A 9 -18.819 2.710 2.308 0.20 0.00 N ATOM 134 N BPRO A 9 -17.779 2.229 2.124 0.80 0.00 N ATOM 135 CA APRO A 9 -19.107 4.010 1.694 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.156 3.504 1.505 0.80 0.00 C ATOM 137 C APRO A 9 -18.156 5.101 2.176 0.20 0.00 C ATOM 138 C BPRO A 9 -17.252 4.651 1.944 0.80 0.00 C ATOM 139 O APRO A 9 -18.442 5.803 3.144 0.20 0.00 O ATOM 140 O BPRO A 9 -16.824 4.711 3.095 0.80 0.00 O ATOM 141 CB APRO A 9 -20.537 4.307 2.148 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.587 3.731 2.003 0.80 0.00 C ATOM 143 CG APRO A 9 -20.700 3.541 3.415 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.668 2.972 3.282 0.80 0.00 C ATOM 145 CD APRO A 9 -19.867 2.300 3.258 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.774 1.776 3.111 0.80 0.00 C ATOM 0 HA APRO A 9 -18.986 3.986 0.611 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.068 3.472 0.419 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.687 5.375 2.309 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.789 4.791 2.158 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.263 3.992 1.399 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.319 3.370 1.281 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.368 4.128 4.271 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.342 3.586 4.121 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.747 3.289 3.587 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.693 2.666 3.490 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.443 1.978 4.209 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.304 1.488 4.052 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.455 1.467 2.872 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.328 0.908 2.753 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.024 5.238 1.491 0.20 0.00 N ATOM 162 N BGLY A 10 -16.964 5.559 1.015 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.050 6.246 1.864 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.113 6.692 1.327 0.80 0.00 C ATOM 165 C AGLY A 10 -14.623 5.755 1.716 0.20 0.00 C ATOM 166 C BGLY A 10 -14.662 6.443 0.965 0.80 0.00 C ATOM 167 O AGLY A 10 -13.737 6.174 2.461 0.20 0.00 O ATOM 168 O BGLY A 10 -13.931 7.375 0.629 0.80 0.00 O ATOM 0 H AGLY A 10 -16.765 4.669 0.685 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.304 5.530 0.054 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.193 7.132 1.245 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.472 7.571 0.792 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.222 6.548 2.897 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.186 6.915 2.391 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.402 4.866 0.754 0.20 0.00 N ATOM 176 N BTRP A 11 -14.244 5.184 1.034 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.073 4.317 0.514 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.870 4.816 0.713 0.80 0.00 C ATOM 179 C ATRP A 11 -12.941 3.819 -0.921 0.20 0.00 C ATOM 180 C BTRP A 11 -12.726 4.487 -0.769 0.80 0.00 C ATOM 181 O ATRP A 11 -13.609 2.866 -1.319 0.20 0.00 O ATOM 182 O BTRP A 11 -13.649 3.958 -1.388 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.784 3.176 1.490 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.431 3.619 1.558 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.369 3.648 2.851 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.480 3.882 3.032 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.130 3.654 3.986 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.576 3.796 3.844 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.095 4.189 3.219 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.388 4.277 3.870 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.404 4.164 5.036 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.230 4.112 5.136 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.153 4.499 4.591 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.894 4.410 5.178 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.909 4.439 2.522 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.032 4.526 3.642 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.072 5.045 5.278 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.089 4.784 6.251 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.838 4.982 3.204 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.236 4.898 4.708 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.924 5.280 4.571 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.766 5.023 6.000 0.80 0.00 C ATOM 0 H ATRP A 11 -15.125 4.511 0.129 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.837 4.401 1.309 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.346 5.113 0.672 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.229 5.668 0.941 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.674 2.555 1.585 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.070 2.767 1.327 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.997 2.545 1.077 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.415 3.340 1.280 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.151 3.309 4.049 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.568 3.520 3.518 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.742 4.275 5.992 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.865 4.123 5.934 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.832 4.212 1.469 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.614 4.429 2.651 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.137 5.275 6.331 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.495 4.882 7.247 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.918 5.181 2.675 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.187 5.096 4.543 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.068 5.703 5.076 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.117 5.314 6.813 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.075 4.470 -1.692 0.20 0.00 N ATOM 224 N BGLU A 12 -11.566 4.808 -1.332 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.859 4.092 -3.083 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.305 4.548 -2.743 0.80 0.00 C ATOM 227 C AGLU A 12 -10.447 3.547 -3.286 0.20 0.00 C ATOM 228 C BGLU A 12 -9.940 3.891 -2.931 0.80 0.00 C ATOM 229 O AGLU A 12 -9.525 3.891 -2.546 0.20 0.00 O ATOM 230 O BGLU A 12 -8.984 4.202 -2.218 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.091 5.291 -4.003 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.371 5.848 -3.546 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.816 6.031 -4.375 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.239 5.751 -4.790 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.174 5.488 -5.638 0.20 0.00 C ATOM 236 CD BGLU A 12 -12.062 4.434 -5.523 0.80 0.00 C ATOM 237 OE1AGLU A 12 -10.756 4.566 -6.248 0.20 0.00 O ATOM 238 OE1BGLU A 12 -10.988 4.232 -6.126 0.80 0.00 O ATOM 239 OE2AGLU A 12 -9.092 5.985 -6.014 0.20 0.00 O ATOM 240 OE2BGLU A 12 -12.998 3.607 -5.493 0.80 0.00 O ATOM 0 H AGLU A 12 -11.513 5.260 -1.377 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.793 5.248 -0.834 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.573 3.307 -3.334 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.072 3.865 -3.108 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.581 4.949 -4.914 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -11.756 6.642 -2.906 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.775 5.986 -3.515 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.361 6.136 -3.839 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.041 7.089 -4.512 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.285 5.868 -4.509 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.106 5.960 -3.551 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -11.996 6.573 -5.463 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.286 2.695 -4.293 0.20 0.00 N ATOM 254 N BLYS A 13 -9.854 2.981 -3.894 0.80 0.00 N ATOM 255 CA ALYS A 13 -8.989 2.104 -4.595 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.607 2.281 -4.179 0.80 0.00 C ATOM 257 C ALYS A 13 -8.104 3.087 -5.354 0.20 0.00 C ATOM 258 C BLYS A 13 -7.788 3.032 -5.223 0.80 0.00 C ATOM 259 O ALYS A 13 -8.422 3.482 -6.476 0.20 0.00 O ATOM 260 O BLYS A 13 -8.242 3.244 -6.348 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.168 0.825 -5.415 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.896 0.859 -4.667 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.085 -0.211 -5.170 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.662 0.120 -5.152 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.580 -1.618 -5.468 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.020 -1.233 -5.744 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.843 -2.656 -4.636 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.043 -2.319 -4.678 0.80 0.00 C ATOM 269 NZ ALYS A 13 -8.122 -2.502 -3.182 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.825 -3.174 -4.730 0.80 0.00 N ATOM 0 H ALYS A 13 -11.039 2.399 -4.914 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.635 2.710 -4.492 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.502 1.859 -3.651 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.028 2.231 -3.257 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.138 0.386 -5.181 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.354 0.292 -3.857 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.181 1.081 -6.474 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.625 0.903 -5.477 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.220 0.011 -5.795 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.147 0.722 -5.901 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.753 -0.153 -4.133 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -6.969 -0.017 -4.322 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.649 -1.679 -5.265 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.996 -1.174 -6.226 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.444 -1.836 -6.527 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.298 -1.496 -6.517 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -8.137 -3.655 -4.958 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.122 -1.859 -3.693 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -6.771 -2.567 -4.811 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.929 -2.940 -4.812 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -7.979 -3.414 -2.703 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.101 -4.161 -4.907 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -7.477 -1.793 -2.778 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.203 -2.846 -5.496 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -9.105 -2.191 -3.048 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.319 -3.114 -3.823 0.80 0.00 H new ATOM 297 N AARG A 14 -6.995 3.478 -4.736 0.20 0.00 N ATOM 298 N BARG A 14 -6.577 3.429 -4.845 0.80 0.00 N ATOM 299 CA AARG A 14 -6.066 4.415 -5.354 0.20 0.00 C ATOM 300 CA BARG A 14 -5.694 4.155 -5.749 0.80 0.00 C ATOM 301 C AARG A 14 -4.713 3.756 -5.603 0.20 0.00 C ATOM 302 C BARG A 14 -4.345 3.452 -5.873 0.80 0.00 C ATOM 303 O AARG A 14 -4.353 2.784 -4.936 0.20 0.00 O ATOM 304 O BARG A 14 -4.038 2.539 -5.108 0.80 0.00 O ATOM 305 CB AARG A 14 -5.889 5.650 -4.470 0.20 0.00 C ATOM 306 CB BARG A 14 -5.491 5.589 -5.256 0.80 0.00 C ATOM 307 CG AARG A 14 -6.556 6.899 -5.024 0.20 0.00 C ATOM 308 CG BARG A 14 -6.788 6.359 -5.069 0.80 0.00 C ATOM 309 CD AARG A 14 -5.695 8.133 -4.809 0.20 0.00 C ATOM 310 CD BARG A 14 -6.974 7.409 -6.152 0.80 0.00 C ATOM 311 NE AARG A 14 -5.599 8.951 -6.015 0.20 0.00 N ATOM 312 NE BARG A 14 -5.859 8.353 -6.195 0.80 0.00 N ATOM 313 CZ AARG A 14 -4.854 8.626 -7.066 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.587 9.121 -7.245 0.80 0.00 C ATOM 315 NH1AARG A 14 -4.144 7.508 -7.060 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.346 9.060 -8.330 0.80 0.00 N ATOM 317 NH2AARG A 14 -4.819 9.422 -8.127 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.556 9.954 -7.208 0.80 0.00 N ATOM 0 H AARG A 14 -6.718 3.160 -3.807 0.20 0.00 H new ATOM 0 H BARG A 14 -6.185 3.260 -3.919 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.483 4.721 -6.313 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.163 4.179 -6.733 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.296 5.439 -3.481 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.953 5.565 -4.308 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.824 5.844 -4.341 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.861 6.123 -5.967 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.747 6.769 -6.089 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.629 5.666 -5.085 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.523 7.040 -4.542 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.789 6.840 -4.091 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.113 8.730 -3.999 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.071 6.918 -7.120 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.696 7.828 -4.497 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.902 7.952 -5.975 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.133 9.819 -6.052 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.257 8.426 -5.375 0.80 0.00 H new ATOM 0 HH11AARG A 14 -4.168 6.893 -6.247 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.141 8.422 -8.361 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.573 7.262 -7.869 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.135 9.651 -9.134 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.364 10.284 -8.136 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.972 10.005 -6.374 0.80 0.00 H new ATOM 0 HH22AARG A 14 -4.247 9.172 -8.934 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.347 10.543 -8.014 0.80 0.00 H new ATOM 345 N AMET A 15 -3.967 4.290 -6.564 0.20 0.00 N ATOM 346 N BMET A 15 -3.544 3.886 -6.842 0.80 0.00 N ATOM 347 CA AMET A 15 -2.653 3.753 -6.899 0.20 0.00 C ATOM 348 CA BMET A 15 -2.229 3.298 -7.064 0.80 0.00 C ATOM 349 C AMET A 15 -1.561 4.787 -6.640 0.20 0.00 C ATOM 350 C BMET A 15 -1.167 4.383 -7.211 0.80 0.00 C ATOM 351 O AMET A 15 -1.843 5.909 -6.219 0.20 0.00 O ATOM 352 O BMET A 15 -1.352 5.350 -7.951 0.80 0.00 O ATOM 353 CB AMET A 15 -2.616 3.311 -8.363 0.20 0.00 C ATOM 354 CB BMET A 15 -2.246 2.413 -8.313 0.80 0.00 C ATOM 355 CG AMET A 15 -1.901 1.988 -8.582 0.20 0.00 C ATOM 356 CG BMET A 15 -0.866 1.939 -8.741 0.80 0.00 C ATOM 357 SD AMET A 15 -0.527 2.124 -9.740 0.20 0.00 S ATOM 358 SD BMET A 15 -0.926 0.430 -9.724 0.80 0.00 S ATOM 359 CE AMET A 15 -1.407 2.354 -11.283 0.20 0.00 C ATOM 360 CE BMET A 15 -1.176 1.105 -11.364 0.80 0.00 C ATOM 0 H AMET A 15 -4.250 5.094 -7.125 0.20 0.00 H new ATOM 0 H BMET A 15 -3.783 4.641 -7.484 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.469 2.888 -6.262 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.981 2.686 -6.197 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.637 3.228 -8.735 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.877 1.545 -8.124 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.123 4.083 -8.954 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.702 2.966 -9.134 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.530 1.617 -7.626 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.379 2.725 -9.318 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.613 1.252 -8.955 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.254 1.767 -7.856 0.80 0.00 H new ATOM 0 HE1AMET A 15 -0.691 2.454 -12.099 0.20 0.00 H new ATOM 0 HE1BMET A 15 -1.234 0.292 -12.087 0.80 0.00 H new ATOM 0 HE2AMET A 15 -2.049 1.493 -11.468 0.20 0.00 H new ATOM 0 HE2BMET A 15 -2.104 1.676 -11.385 0.80 0.00 H new ATOM 0 HE3AMET A 15 -2.017 3.255 -11.223 0.20 0.00 H new ATOM 0 HE3BMET A 15 -0.342 1.759 -11.619 0.80 0.00 H new ATOM 379 N ASER A 16 -0.314 4.401 -6.895 0.20 0.00 N ATOM 380 N BSER A 16 -0.055 4.218 -6.501 0.80 0.00 N ATOM 381 CA ASER A 16 0.819 5.293 -6.685 0.20 0.00 C ATOM 382 CA BSER A 16 1.034 5.185 -6.550 0.80 0.00 C ATOM 383 C ASER A 16 1.387 5.772 -8.017 0.20 0.00 C ATOM 384 C BSER A 16 1.543 5.360 -7.977 0.80 0.00 C ATOM 385 O ASER A 16 0.964 5.324 -9.083 0.20 0.00 O ATOM 386 O BSER A 16 1.167 4.610 -8.878 0.80 0.00 O ATOM 387 CB ASER A 16 1.910 4.586 -5.878 0.20 0.00 C ATOM 388 CB BSER A 16 2.180 4.741 -5.638 0.80 0.00 C ATOM 389 OG ASER A 16 2.389 5.415 -4.833 0.20 0.00 O ATOM 390 OG BSER A 16 2.784 5.852 -4.999 0.80 0.00 O ATOM 0 H ASER A 16 -0.064 3.477 -7.247 0.20 0.00 H new ATOM 0 H BSER A 16 0.115 3.423 -5.885 0.80 0.00 H new ATOM 0 HA ASER A 16 0.468 6.160 -6.126 0.20 0.00 H new ATOM 0 HA BSER A 16 0.651 6.144 -6.200 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.515 3.660 -5.460 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.803 4.047 -4.887 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.734 4.312 -6.537 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.927 4.204 -6.223 0.80 0.00 H new ATOM 0 HG ASER A 16 3.084 4.940 -4.331 0.20 0.00 H new ATOM 0 HG BSER A 16 3.512 5.541 -4.421 0.80 0.00 H new ATOM 401 N AARG A 17 2.348 6.688 -7.949 0.20 0.00 N ATOM 402 N BARG A 17 2.400 6.356 -8.175 0.80 0.00 N ATOM 403 CA AARG A 17 2.974 7.228 -9.149 0.20 0.00 C ATOM 404 CA BARG A 17 2.960 6.632 -9.492 0.80 0.00 C ATOM 405 C AARG A 17 4.477 6.964 -9.146 0.20 0.00 C ATOM 406 C BARG A 17 4.479 6.481 -9.479 0.80 0.00 C ATOM 407 O AARG A 17 5.081 6.737 -10.194 0.20 0.00 O ATOM 408 O BARG A 17 5.094 6.204 -10.509 0.80 0.00 O ATOM 409 CB AARG A 17 2.711 8.731 -9.254 0.20 0.00 C ATOM 410 CB BARG A 17 2.580 8.042 -9.947 0.80 0.00 C ATOM 411 CG AARG A 17 3.515 9.417 -10.348 0.20 0.00 C ATOM 412 CG BARG A 17 3.303 8.492 -11.206 0.80 0.00 C ATOM 413 CD AARG A 17 3.208 10.904 -10.417 0.20 0.00 C ATOM 414 CD BARG A 17 2.928 9.915 -11.586 0.80 0.00 C ATOM 415 NE AARG A 17 1.770 11.166 -10.416 0.20 0.00 N ATOM 416 NE BARG A 17 1.484 10.131 -11.541 0.80 0.00 N ATOM 417 CZ AARG A 17 1.242 12.363 -10.187 0.20 0.00 C ATOM 418 CZ BARG A 17 0.920 11.334 -11.492 0.80 0.00 C ATOM 419 NH1AARG A 17 2.027 13.403 -9.943 0.20 0.00 N ATOM 420 NH1BARG A 17 1.677 12.422 -11.485 0.80 0.00 N ATOM 421 NH2AARG A 17 -0.076 12.522 -10.204 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.399 11.447 -11.454 0.80 0.00 N ATOM 0 H AARG A 17 2.709 7.071 -7.076 0.20 0.00 H new ATOM 0 H BARG A 17 2.722 6.985 -7.440 0.80 0.00 H new ATOM 0 HA AARG A 17 2.537 6.727 -10.013 0.20 0.00 H new ATOM 0 HA BARG A 17 2.546 5.908 -10.194 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.649 8.893 -9.440 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.505 8.080 -10.122 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.942 9.199 -8.297 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.797 8.745 -9.143 0.80 0.00 H new ATOM 0 HG2AARG A 17 4.579 9.273 -10.163 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.380 8.428 -11.051 0.80 0.00 H new ATOM 0 HG3AARG A 17 3.292 8.954 -11.309 0.20 0.00 H new ATOM 0 HG3BARG A 17 3.058 7.819 -12.027 0.80 0.00 H new ATOM 0 HD2AARG A 17 3.669 11.409 -9.569 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.420 10.613 -10.909 0.80 0.00 H new ATOM 0 HD3AARG A 17 3.653 11.325 -11.319 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.296 10.131 -12.589 0.80 0.00 H new ATOM 0 HE AARG A 17 1.138 10.387 -10.601 0.20 0.00 H new ATOM 0 HE BARG A 17 0.874 9.313 -11.548 0.80 0.00 H new ATOM 0 HH11AARG A 17 3.040 13.285 -9.931 0.20 0.00 H new ATOM 0 HH11BARG A 17 2.693 12.337 -11.517 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.618 14.321 -9.768 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.244 13.345 -11.447 0.80 0.00 H new ATOM 0 HH21AARG A 17 -0.683 11.725 -10.393 0.20 0.00 H new ATOM 0 HH21BARG A 17 -0.983 10.611 -11.462 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.481 13.441 -10.028 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.831 12.370 -11.416 0.80 0.00 H new ATOM 449 N AASN A 18 5.075 6.995 -7.960 0.20 0.00 N ATOM 450 N BASN A 18 5.078 6.669 -8.307 0.80 0.00 N ATOM 451 CA AASN A 18 6.507 6.761 -7.819 0.20 0.00 C ATOM 452 CA BASN A 18 6.524 6.556 -8.161 0.80 0.00 C ATOM 453 C AASN A 18 6.774 5.514 -6.982 0.20 0.00 C ATOM 454 C BASN A 18 6.948 5.093 -8.063 0.80 0.00 C ATOM 455 O AASN A 18 7.551 5.550 -6.026 0.20 0.00 O ATOM 456 O BASN A 18 7.828 4.642 -8.796 0.80 0.00 O ATOM 457 CB AASN A 18 7.184 7.973 -7.178 0.20 0.00 C ATOM 458 CB BASN A 18 6.993 7.319 -6.920 0.80 0.00 C ATOM 459 CG AASN A 18 8.681 7.997 -7.421 0.20 0.00 C ATOM 460 CG BASN A 18 8.345 7.976 -7.122 0.80 0.00 C ATOM 461 OD1AASN A 18 9.228 7.111 -8.079 0.20 0.00 O ATOM 462 OD1BASN A 18 8.539 9.140 -6.773 0.80 0.00 O ATOM 463 ND2AASN A 18 9.351 9.011 -6.890 0.20 0.00 N ATOM 464 ND2BASN A 18 9.286 7.231 -7.690 0.80 0.00 N ATOM 0 H AASN A 18 4.590 7.180 -7.082 0.20 0.00 H new ATOM 0 H BASN A 18 4.584 6.900 -7.445 0.80 0.00 H new ATOM 0 HA AASN A 18 6.923 6.606 -8.814 0.20 0.00 H new ATOM 0 HA BASN A 18 6.989 6.992 -9.045 0.80 0.00 H new ATOM 0 HB2AASN A 18 6.740 8.886 -7.575 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.256 8.081 -6.665 0.80 0.00 H new ATOM 0 HB3AASN A 18 6.993 7.967 -6.105 0.20 0.00 H new ATOM 0 HB3BASN A 18 7.048 6.633 -6.074 0.80 0.00 H new ATOM 0 HD21AASN A 18 10.360 9.079 -7.020 0.20 0.00 H new ATOM 0 HD21BASN A 18 10.215 7.620 -7.853 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.857 9.723 -6.352 0.20 0.00 H new ATOM 0 HD22BASN A 18 9.080 6.270 -7.963 0.80 0.00 H new ATOM 477 N ASER A 19 6.128 4.412 -7.347 0.20 0.00 N ATOM 478 N BSER A 19 6.315 4.360 -7.155 0.80 0.00 N ATOM 479 CA ASER A 19 6.293 3.154 -6.627 0.20 0.00 C ATOM 480 CA BSER A 19 6.628 2.948 -6.959 0.80 0.00 C ATOM 481 C ASER A 19 5.610 2.010 -7.371 0.20 0.00 C ATOM 482 C BSER A 19 5.566 2.062 -7.600 0.80 0.00 C ATOM 483 O ASER A 19 6.269 1.136 -7.931 0.20 0.00 O ATOM 484 O BSER A 19 5.846 1.315 -8.536 0.80 0.00 O ATOM 485 CB ASER A 19 5.720 3.271 -5.215 0.20 0.00 C ATOM 486 CB BSER A 19 6.741 2.631 -5.467 0.80 0.00 C ATOM 487 OG ASER A 19 6.742 3.157 -4.240 0.20 0.00 O ATOM 488 OG BSER A 19 5.544 2.960 -4.784 0.80 0.00 O ATOM 0 H ASER A 19 5.485 4.364 -8.137 0.20 0.00 H new ATOM 0 H BSER A 19 5.582 4.719 -6.543 0.80 0.00 H new ATOM 0 HA ASER A 19 7.359 2.938 -6.562 0.20 0.00 H new ATOM 0 HA BSER A 19 7.585 2.743 -7.440 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.212 4.229 -5.103 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.961 1.572 -5.333 0.80 0.00 H new ATOM 0 HB3ASER A 19 4.973 2.493 -5.056 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.574 3.187 -5.036 0.80 0.00 H new ATOM 0 HG ASER A 19 7.417 3.851 -4.391 0.20 0.00 H new ATOM 0 HG BSER A 19 5.641 2.746 -3.832 0.80 0.00 H new ATOM 499 N AGLY A 20 4.279 2.022 -7.372 0.20 0.00 N ATOM 500 N BGLY A 20 4.342 2.150 -7.087 0.80 0.00 N ATOM 501 CA AGLY A 20 3.528 0.982 -8.048 0.20 0.00 C ATOM 502 CA BGLY A 20 3.254 1.351 -7.620 0.80 0.00 C ATOM 503 C AGLY A 20 2.522 0.307 -7.136 0.20 0.00 C ATOM 504 C BGLY A 20 2.556 0.535 -6.550 0.80 0.00 C ATOM 505 O AGLY A 20 1.464 -0.134 -7.586 0.20 0.00 O ATOM 506 O BGLY A 20 2.043 -0.551 -6.824 0.80 0.00 O ATOM 0 H AGLY A 20 3.709 2.734 -6.916 0.20 0.00 H new ATOM 0 H BGLY A 20 4.085 2.761 -6.312 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.007 1.412 -8.903 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.529 2.006 -8.104 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.219 0.235 -8.438 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.641 0.682 -8.388 0.80 0.00 H new ATOM 513 N AARG A 21 2.852 0.226 -5.852 0.20 0.00 N ATOM 514 N BARG A 21 2.535 1.058 -5.329 0.80 0.00 N ATOM 515 CA AARG A 21 1.969 -0.402 -4.875 0.20 0.00 C ATOM 516 CA BARG A 21 1.897 0.369 -4.213 0.80 0.00 C ATOM 517 C AARG A 21 0.590 0.247 -4.892 0.20 0.00 C ATOM 518 C BARG A 21 0.435 0.789 -4.080 0.80 0.00 C ATOM 519 O AARG A 21 0.340 1.180 -5.656 0.20 0.00 O ATOM 520 O BARG A 21 0.126 1.977 -3.988 0.80 0.00 O ATOM 521 CB AARG A 21 2.574 -0.303 -3.472 0.20 0.00 C ATOM 522 CB BARG A 21 2.643 0.663 -2.911 0.80 0.00 C ATOM 523 CG AARG A 21 4.014 -0.781 -3.396 0.20 0.00 C ATOM 524 CG BARG A 21 3.566 -0.463 -2.471 0.80 0.00 C ATOM 525 CD AARG A 21 4.916 0.270 -2.767 0.20 0.00 C ATOM 526 CD BARG A 21 4.815 0.076 -1.791 0.80 0.00 C ATOM 527 NE AARG A 21 4.361 0.795 -1.523 0.20 0.00 N ATOM 528 NE BARG A 21 4.501 1.099 -0.797 0.80 0.00 N ATOM 529 CZ AARG A 21 4.305 0.101 -0.391 0.20 0.00 C ATOM 530 CZ BARG A 21 3.907 0.841 0.361 0.80 0.00 C ATOM 531 NH1AARG A 21 4.770 -1.139 -0.347 0.20 0.00 N ATOM 532 NH1BARG A 21 3.566 -0.402 0.673 0.80 0.00 N ATOM 533 NH2AARG A 21 3.784 0.647 0.699 0.20 0.00 N ATOM 534 NH2BARG A 21 3.653 1.826 1.213 0.80 0.00 N ATOM 0 H AARG A 21 3.723 0.587 -5.463 0.20 0.00 H new ATOM 0 H BARG A 21 2.952 1.957 -5.087 0.80 0.00 H new ATOM 0 HA AARG A 21 1.860 -1.453 -5.144 0.20 0.00 H new ATOM 0 HA BARG A 21 1.934 -0.702 -4.411 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.526 0.733 -3.137 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.228 1.574 -3.035 0.80 0.00 H new ATOM 0 HB3AARG A 21 1.968 -0.890 -2.782 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.917 0.856 -2.121 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.063 -1.701 -2.813 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.035 -1.125 -1.787 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.373 -1.019 -4.397 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.851 -1.061 -3.337 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.897 -0.164 -2.571 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.348 -0.744 -1.310 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.065 1.088 -3.471 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.484 0.495 -2.542 0.80 0.00 H new ATOM 0 HE AARG A 21 3.996 1.747 -1.523 0.20 0.00 H new ATOM 0 HE BARG A 21 4.752 2.066 -1.005 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.172 -1.563 -1.183 0.20 0.00 H new ATOM 0 HH11BARG A 21 3.760 -1.163 0.022 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.726 -1.670 0.523 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.109 -0.597 1.564 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.425 1.601 0.670 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.914 2.784 0.978 0.80 0.00 H new ATOM 0 HH22AARG A 21 3.742 0.113 1.567 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.196 1.626 2.103 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.306 -0.254 -4.047 0.20 0.00 N ATOM 562 N BVAL A 22 -0.459 -0.195 -4.073 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.661 0.277 -3.965 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.886 0.072 -3.951 0.80 0.00 C ATOM 565 C AVAL A 22 -2.059 0.545 -2.518 0.20 0.00 C ATOM 566 C BVAL A 22 -2.248 0.488 -2.530 0.80 0.00 C ATOM 567 O AVAL A 22 -1.395 0.090 -1.586 0.20 0.00 O ATOM 568 O BVAL A 22 -1.751 -0.081 -1.559 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.682 -0.690 -4.597 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.723 -1.162 -4.341 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.608 -0.628 -6.115 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.203 -0.898 -4.111 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.449 -2.109 -4.100 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.460 -1.549 -5.789 0.80 0.00 C ATOM 0 H AVAL A 22 -0.117 -1.027 -3.409 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.220 -1.183 -4.150 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.668 1.215 -4.520 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.115 0.889 -4.635 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.683 -0.383 -4.294 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.425 -1.997 -3.707 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.336 -1.317 -6.543 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.778 -1.780 -4.392 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.828 0.386 -6.449 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.373 -0.674 -3.058 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.607 -0.908 -6.442 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.520 -0.050 -4.718 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.178 -2.779 -4.556 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.059 -2.422 -6.047 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.443 -2.429 -4.372 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.729 -0.719 -6.442 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.558 -2.137 -3.016 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.403 -1.784 -5.917 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.147 1.286 -2.338 0.20 0.00 N ATOM 594 N BTYR A 23 -3.118 1.487 -2.416 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.634 1.616 -1.004 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.546 1.982 -1.113 0.80 0.00 C ATOM 597 C ATYR A 23 -5.061 2.154 -1.062 0.20 0.00 C ATOM 598 C BTYR A 23 -5.000 2.442 -1.156 0.80 0.00 C ATOM 599 O ATYR A 23 -5.678 2.194 -2.127 0.20 0.00 O ATOM 600 O BTYR A 23 -5.636 2.429 -2.210 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.716 2.646 -0.344 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.648 3.136 -0.663 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.366 3.809 -1.243 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.710 4.342 -1.573 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.122 4.975 -1.229 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.662 5.335 -1.379 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.280 3.745 -2.108 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.818 4.487 -2.628 0.80 0.00 C ATOM 609 CE1ATYR A 23 -2.808 6.042 -2.049 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.723 6.439 -2.208 0.80 0.00 C ATOM 611 CE2ATYR A 23 -0.957 4.806 -2.930 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.870 5.588 -3.461 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.724 5.953 -2.897 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.824 6.561 -3.247 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.405 7.012 -3.716 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.881 7.659 -4.075 0.80 0.00 O ATOM 0 H ATYR A 23 -3.708 1.669 -3.099 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.540 1.969 -3.210 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.633 0.703 -0.409 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.463 1.165 -0.397 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.199 3.026 0.556 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.935 3.437 0.345 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.797 2.152 -0.029 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.618 2.784 -0.610 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -3.971 5.049 -0.565 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.367 5.243 -0.566 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.678 2.849 -2.138 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -1.071 3.726 -2.800 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.408 6.940 -2.026 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.470 7.202 -2.043 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -0.109 4.739 -3.595 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.167 5.686 -4.275 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.520 6.747 -4.653 0.20 0.00 H new ATOM 0 HH BTYR A 23 -2.178 7.593 -4.755 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.578 2.568 0.089 0.20 0.00 N ATOM 636 N BTYR A 24 -5.519 2.847 -0.003 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.932 3.104 0.171 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.899 3.309 0.094 0.80 0.00 C ATOM 639 C ATYR A 24 -6.909 4.597 0.482 0.20 0.00 C ATOM 640 C BTYR A 24 -6.961 4.722 0.665 0.80 0.00 C ATOM 641 O ATYR A 24 -6.012 5.088 1.168 0.20 0.00 O ATOM 642 O BTYR A 24 -6.325 5.025 1.676 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.731 2.360 1.242 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.718 2.357 0.969 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.546 0.859 1.204 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.464 0.895 0.674 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.488 0.254 1.873 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.824 0.082 1.601 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.425 0.049 0.500 0.20 0.00 C ATOM 650 CD2BTYR A 24 -7.864 0.330 -0.530 0.80 0.00 C ATOM 651 CE1ATYR A 24 -6.315 -1.116 1.841 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.589 -1.254 1.336 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.260 -1.323 0.463 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.635 -1.006 -0.802 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.202 -1.901 1.135 0.20 0.00 C ATOM 656 CZ BTYR A 24 -6.997 -1.793 0.134 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.033 -3.265 1.101 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.767 -3.123 -0.135 0.80 0.00 O ATOM 0 H ATYR A 24 -5.080 2.543 0.979 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.005 2.865 0.878 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.413 2.961 -0.797 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.322 3.323 -0.910 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.437 2.729 2.224 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.490 2.553 2.017 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.789 2.590 1.119 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.778 2.569 0.829 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -5.790 0.865 2.427 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.505 0.501 2.544 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -9.253 0.498 -0.029 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.362 0.944 -1.266 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -5.488 -1.571 2.367 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -6.089 -1.872 2.066 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -8.955 -1.939 -0.088 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -7.954 -1.431 -1.742 0.80 0.00 H new ATOM 0 HH ATYR A 24 -7.744 -3.669 0.561 0.20 0.00 H new ATOM 0 HH BTYR A 24 -7.117 -3.342 -1.024 0.80 0.00 H new ATOM 677 N APHE A 25 -7.905 5.315 -0.026 0.20 0.00 N ATOM 678 N BPHE A 25 -7.733 5.584 0.010 0.80 0.00 N ATOM 679 CA APHE A 25 -8.002 6.753 0.196 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.881 6.966 0.451 0.80 0.00 C ATOM 681 C APHE A 25 -9.419 7.146 0.605 0.20 0.00 C ATOM 682 C BPHE A 25 -9.352 7.332 0.612 0.80 0.00 C ATOM 683 O APHE A 25 -10.386 6.814 -0.075 0.20 0.00 O ATOM 684 O BPHE A 25 -10.204 6.867 -0.142 0.80 0.00 O ATOM 685 CB APHE A 25 -7.595 7.513 -1.067 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.212 7.915 -0.546 0.80 0.00 C ATOM 687 CG APHE A 25 -7.860 8.990 -0.990 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.521 9.364 -0.294 0.80 0.00 C ATOM 689 CD1APHE A 25 -7.219 9.775 -0.045 0.20 0.00 C ATOM 690 CD1BPHE A 25 -6.934 10.037 0.765 0.80 0.00 C ATOM 691 CD2APHE A 25 -8.754 9.593 -1.860 0.20 0.00 C ATOM 692 CD2BPHE A 25 -8.399 10.050 -1.116 0.80 0.00 C ATOM 693 CE1APHE A 25 -7.462 11.135 0.028 0.20 0.00 C ATOM 694 CE1BPHE A 25 -7.217 11.369 1.000 0.80 0.00 C ATOM 695 CE2APHE A 25 -9.002 10.951 -1.792 0.20 0.00 C ATOM 696 CE2BPHE A 25 -8.685 11.384 -0.887 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.355 11.723 -0.846 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.093 12.043 0.173 0.80 0.00 C ATOM 0 H APHE A 25 -8.657 4.925 -0.594 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.265 5.349 -0.828 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.322 7.017 1.006 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.394 7.066 1.421 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.533 7.352 -1.252 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.133 7.770 -0.506 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.133 7.099 -1.920 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.531 7.654 -1.555 0.80 0.00 H new ATOM 0 HD1APHE A 25 -6.522 9.320 0.643 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -6.247 9.515 1.414 0.80 0.00 H new ATOM 0 HD2APHE A 25 -9.263 8.994 -2.601 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -8.866 9.538 -1.945 0.80 0.00 H new ATOM 0 HE1APHE A 25 -6.954 11.736 0.768 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -6.753 11.882 1.830 0.80 0.00 H new ATOM 0 HE2APHE A 25 -9.700 11.408 -2.477 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -9.370 11.909 -1.536 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.547 12.784 -0.790 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.315 13.084 0.354 0.80 0.00 H new ATOM 717 N AASN A 26 -9.529 7.856 1.724 0.20 0.00 N ATOM 718 N BASN A 26 -9.643 8.170 1.603 0.80 0.00 N ATOM 719 CA AASN A 26 -10.826 8.293 2.227 0.20 0.00 C ATOM 720 CA BASN A 26 -11.013 8.599 1.864 0.80 0.00 C ATOM 721 C AASN A 26 -11.131 9.719 1.776 0.20 0.00 C ATOM 722 C BASN A 26 -11.226 10.040 1.416 0.80 0.00 C ATOM 723 O AASN A 26 -10.462 10.668 2.188 0.20 0.00 O ATOM 724 O BASN A 26 -10.496 10.944 1.826 0.80 0.00 O ATOM 725 CB AASN A 26 -10.860 8.212 3.754 0.20 0.00 C ATOM 726 CB BASN A 26 -11.336 8.461 3.352 0.80 0.00 C ATOM 727 CG AASN A 26 -12.230 8.527 4.321 0.20 0.00 C ATOM 728 CG BASN A 26 -12.829 8.467 3.623 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.633 9.688 4.387 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.601 9.089 2.892 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.953 7.494 4.732 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.241 7.772 4.676 0.80 0.00 N ATOM 0 H AASN A 26 -8.736 8.140 2.299 0.20 0.00 H new ATOM 0 H BASN A 26 -8.949 8.565 2.238 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.588 7.629 1.818 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.684 7.958 1.293 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.561 7.212 4.068 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.905 7.534 3.730 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.130 8.908 4.168 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.867 9.278 3.900 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.883 7.645 5.122 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.234 7.738 4.908 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.579 6.548 4.658 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.565 7.272 5.253 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.144 9.862 0.929 0.20 0.00 N ATOM 746 N BHIS A 27 -12.232 10.251 0.573 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.538 11.173 0.423 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.543 11.584 0.070 0.80 0.00 C ATOM 749 C AHIS A 27 -13.636 11.781 1.290 0.20 0.00 C ATOM 750 C BHIS A 27 -13.348 12.378 1.095 0.80 0.00 C ATOM 751 O AHIS A 27 -14.531 12.462 0.788 0.20 0.00 O ATOM 752 O BHIS A 27 -13.427 13.604 1.022 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.018 11.061 -1.024 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.319 11.490 -1.243 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.352 10.392 -1.164 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.517 10.594 -1.166 0.80 0.00 C ATOM 757 ND1AHIS A 27 -14.997 9.527 -0.347 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.754 11.026 -0.735 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.181 10.586 -2.248 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.665 9.283 -1.471 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.193 9.218 -0.947 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.608 10.021 -0.775 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.279 9.869 -2.092 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -15.973 8.950 -1.218 0.80 0.00 N ATOM 0 H AHIS A 27 -12.707 9.087 0.578 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.846 9.515 0.224 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.667 11.827 0.459 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.603 12.105 -0.110 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.074 12.059 -1.458 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.641 12.489 -1.538 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.279 10.504 -1.601 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.652 11.126 -2.025 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.966 11.224 -3.092 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.897 8.622 -1.844 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.942 8.551 -0.547 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.650 10.066 -0.493 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -17.061 9.826 -2.746 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.387 8.027 -1.350 0.80 0.00 H new ATOM 779 N AILE A 28 -13.562 11.531 2.593 0.20 0.00 N ATOM 780 N BILE A 28 -13.944 11.669 2.048 0.80 0.00 N ATOM 781 CA AILE A 28 -14.549 12.055 3.529 0.20 0.00 C ATOM 782 CA BILE A 28 -14.743 12.308 3.086 0.80 0.00 C ATOM 783 C AILE A 28 -13.877 12.802 4.676 0.20 0.00 C ATOM 784 C BILE A 28 -13.865 12.787 4.239 0.80 0.00 C ATOM 785 O AILE A 28 -14.357 13.849 5.115 0.20 0.00 O ATOM 786 O BILE A 28 -13.983 13.926 4.693 0.80 0.00 O ATOM 787 CB AILE A 28 -15.426 10.930 4.108 0.20 0.00 C ATOM 788 CB BILE A 28 -15.817 11.353 3.638 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.138 10.176 2.984 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.792 10.952 2.529 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.436 11.500 5.094 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.561 12.004 4.795 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.079 11.043 2.178 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.902 10.039 3.001 0.80 0.00 C ATOM 0 H AILE A 28 -12.829 10.969 3.025 0.20 0.00 H new ATOM 0 H BILE A 28 -13.889 10.653 2.123 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.180 12.746 2.970 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.233 13.165 2.624 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.784 10.228 4.640 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.326 10.453 4.008 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.392 9.745 2.316 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.231 11.852 2.099 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.699 9.346 3.413 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.239 10.456 1.732 0.80 0.00 H new ATOM 0 HG21AILE A 28 -17.049 10.693 5.495 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.317 11.316 5.174 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.909 11.995 5.910 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.857 12.244 5.591 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.075 12.221 4.584 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.043 12.918 4.449 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.549 10.443 1.399 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.555 9.796 2.162 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.847 11.453 2.833 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.472 9.122 3.404 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.520 11.859 1.720 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.480 10.540 3.777 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.761 12.261 5.155 0.20 0.00 N ATOM 818 N BTHR A 29 -12.982 11.910 4.706 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.022 12.878 6.250 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.082 12.242 5.804 0.80 0.00 C ATOM 821 C ATHR A 29 -10.571 13.132 5.859 0.20 0.00 C ATOM 822 C BTHR A 29 -10.771 12.820 5.285 0.80 0.00 C ATOM 823 O ATHR A 29 -9.687 13.169 6.713 0.20 0.00 O ATOM 824 O BTHR A 29 -10.034 13.472 6.024 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.056 11.999 7.515 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.778 11.009 6.675 0.80 0.00 C ATOM 827 OG1ATHR A 29 -12.869 10.842 7.287 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.837 9.821 5.877 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.599 12.780 8.702 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.766 10.901 7.826 0.80 0.00 C ATOM 0 H ATHR A 29 -12.349 11.397 4.802 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.871 10.964 4.341 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.509 13.829 6.465 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.590 12.990 6.413 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.036 11.687 7.741 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.776 11.122 7.088 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -12.884 10.288 8.095 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.641 9.041 6.437 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.614 12.139 9.583 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.530 10.022 8.427 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.961 13.643 8.892 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.699 11.794 8.448 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.612 13.118 8.483 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.777 10.809 7.430 0.80 0.00 H new ATOM 845 N AASN A 30 -10.333 13.305 4.563 0.20 0.00 N ATOM 846 N BASN A 30 -10.485 12.576 4.010 0.80 0.00 N ATOM 847 CA AASN A 30 -8.988 13.555 4.060 0.20 0.00 C ATOM 848 CA BASN A 30 -9.262 13.074 3.391 0.80 0.00 C ATOM 849 C AASN A 30 -7.994 12.556 4.642 0.20 0.00 C ATOM 850 C BASN A 30 -8.031 12.458 4.050 0.80 0.00 C ATOM 851 O AASN A 30 -6.842 12.894 4.910 0.20 0.00 O ATOM 852 O BASN A 30 -7.192 13.166 4.605 0.80 0.00 O ATOM 853 CB AASN A 30 -8.552 14.981 4.399 0.20 0.00 C ATOM 854 CB BASN A 30 -9.198 14.599 3.493 0.80 0.00 C ATOM 855 CG AASN A 30 -9.167 16.011 3.470 0.20 0.00 C ATOM 856 CG BASN A 30 -8.300 15.211 2.435 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.144 16.673 3.820 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.766 15.923 1.545 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.596 16.149 2.279 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.005 14.935 2.527 0.80 0.00 N ATOM 0 H AASN A 30 -11.054 13.277 3.842 0.20 0.00 H new ATOM 0 H BASN A 30 -11.084 12.036 3.385 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.004 13.434 2.977 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.273 12.787 2.339 0.80 0.00 H new ATOM 0 HB2AASN A 30 -8.833 15.209 5.427 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.203 15.010 3.395 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.466 15.049 4.343 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.834 14.880 4.481 0.80 0.00 H new ATOM 0 HD21AASN A 30 -8.966 16.826 1.611 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.352 15.318 1.843 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.787 15.578 2.032 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.663 14.340 3.281 0.80 0.00 H new ATOM 873 N AALA A 31 -8.450 11.321 4.836 0.20 0.00 N ATOM 874 N BALA A 31 -7.932 11.134 3.985 0.80 0.00 N ATOM 875 CA AALA A 31 -7.599 10.271 5.384 0.20 0.00 C ATOM 876 CA BALA A 31 -6.803 10.422 4.573 0.80 0.00 C ATOM 877 C AALA A 31 -7.072 9.361 4.280 0.20 0.00 C ATOM 878 C BALA A 31 -6.557 9.099 3.859 0.80 0.00 C ATOM 879 O AALA A 31 -7.681 9.239 3.217 0.20 0.00 O ATOM 880 O BALA A 31 -7.455 8.553 3.215 0.80 0.00 O ATOM 881 CB AALA A 31 -8.365 9.460 6.419 0.20 0.00 C ATOM 882 CB BALA A 31 -7.042 10.189 6.057 0.80 0.00 C ATOM 0 H AALA A 31 -9.402 11.024 4.622 0.20 0.00 H new ATOM 0 H BALA A 31 -8.620 10.533 3.531 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.744 10.744 5.868 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.913 11.039 4.453 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.719 8.679 6.821 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.192 9.657 6.483 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.688 10.115 7.228 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.160 11.148 6.562 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.237 9.004 5.951 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.946 9.595 6.191 0.80 0.00 H new ATOM 893 N ASER A 32 -5.934 8.723 4.539 0.20 0.00 N ATOM 894 N BSER A 32 -5.338 8.585 3.977 0.80 0.00 N ATOM 895 CA ASER A 32 -5.322 7.826 3.566 0.20 0.00 C ATOM 896 CA BSER A 32 -4.973 7.324 3.339 0.80 0.00 C ATOM 897 C ASER A 32 -4.368 6.851 4.250 0.20 0.00 C ATOM 898 C BSER A 32 -4.519 6.302 4.377 0.80 0.00 C ATOM 899 O ASER A 32 -3.206 7.174 4.495 0.20 0.00 O ATOM 900 O BSER A 32 -4.031 6.663 5.447 0.80 0.00 O ATOM 901 CB ASER A 32 -4.572 8.630 2.503 0.20 0.00 C ATOM 902 CB BSER A 32 -3.865 7.552 2.310 0.80 0.00 C ATOM 903 OG ASER A 32 -5.125 9.927 2.359 0.20 0.00 O ATOM 904 OG BSER A 32 -3.979 6.643 1.228 0.80 0.00 O ATOM 0 H ASER A 32 -5.418 8.811 5.414 0.20 0.00 H new ATOM 0 H BSER A 32 -4.585 9.022 4.509 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.116 7.253 3.086 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.854 6.932 2.831 0.80 0.00 H new ATOM 0 HB2ASER A 32 -3.520 8.708 2.777 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.916 8.575 1.937 0.80 0.00 H new ATOM 0 HB3ASER A 32 -4.615 8.105 1.549 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.892 7.435 2.787 0.80 0.00 H new ATOM 0 HG ASER A 32 -4.627 10.421 1.675 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.751 6.057 1.373 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.869 5.659 4.555 0.20 0.00 N ATOM 916 N BGLN A 33 -4.682 5.024 4.049 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.063 4.638 5.213 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.290 3.949 4.952 0.80 0.00 C ATOM 919 C AGLN A 33 -3.864 3.431 4.301 0.20 0.00 C ATOM 920 C BGLN A 33 -3.941 2.685 4.175 0.80 0.00 C ATOM 921 O AGLN A 33 -4.641 3.208 3.373 0.20 0.00 O ATOM 922 O BGLN A 33 -4.666 2.284 3.262 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.722 4.201 6.521 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.413 3.655 5.948 0.80 0.00 C ATOM 925 CG AGLN A 33 -6.157 3.729 6.352 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.011 2.688 7.049 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.612 2.825 7.480 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.053 2.588 8.146 0.80 0.00 C ATOM 929 OE1AGLN A 33 -5.957 2.733 8.520 0.20 0.00 O ATOM 930 OE1BGLN A 33 -5.737 2.704 9.332 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.737 2.148 7.282 0.20 0.00 N ATOM 932 NE2BGLN A 33 -7.305 2.373 7.759 0.80 0.00 N ATOM 0 H AGLN A 33 -5.829 5.376 4.357 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.082 4.708 3.166 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.086 5.069 5.434 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.405 4.274 5.499 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -4.134 3.397 6.963 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.741 4.591 6.400 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.703 5.034 7.224 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.267 3.245 5.409 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.816 4.595 6.298 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.847 1.700 6.618 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.251 3.197 5.405 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.063 3.009 7.481 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -8.248 2.254 6.406 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -7.524 2.283 6.767 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -8.090 1.522 8.006 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -8.048 2.298 8.454 0.80 0.00 H new ATOM 949 N APHE A 34 -2.820 2.655 4.573 0.20 0.00 N ATOM 950 N BPHE A 34 -2.825 2.060 4.539 0.80 0.00 N ATOM 951 CA APHE A 34 -2.520 1.472 3.776 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.380 0.841 3.873 0.80 0.00 C ATOM 953 C APHE A 34 -3.363 0.283 4.228 0.20 0.00 C ATOM 954 C BPHE A 34 -3.115 -0.377 4.421 0.80 0.00 C ATOM 955 O APHE A 34 -3.692 -0.594 3.431 0.20 0.00 O ATOM 956 O BPHE A 34 -3.393 -1.327 3.691 0.80 0.00 O ATOM 957 CB APHE A 34 -1.032 1.126 3.879 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.870 0.663 4.050 0.80 0.00 C ATOM 959 CG APHE A 34 -0.127 2.314 3.711 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.059 1.771 3.444 0.80 0.00 C ATOM 961 CD1APHE A 34 0.779 2.655 4.702 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.819 2.511 4.221 0.80 0.00 C ATOM 963 CD2APHE A 34 -0.184 3.088 2.565 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.175 2.076 2.097 0.80 0.00 C ATOM 965 CE1APHE A 34 1.613 3.746 4.552 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.566 3.534 3.666 0.80 0.00 C ATOM 967 CE2APHE A 34 0.648 4.181 2.409 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.570 3.096 1.537 0.80 0.00 C ATOM 969 CZ APHE A 34 1.546 4.510 3.404 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.441 3.827 2.322 0.80 0.00 C ATOM 0 H APHE A 34 -2.168 2.824 5.339 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.213 2.378 5.291 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.764 1.693 2.737 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.607 0.932 2.811 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.840 0.667 4.849 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.643 0.598 5.114 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.787 0.382 3.121 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.569 -0.284 3.601 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.834 2.061 5.602 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.921 2.286 5.272 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.886 2.835 1.784 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.855 1.510 1.478 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.316 4.001 5.331 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.246 4.103 4.283 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.595 4.777 1.510 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.472 3.322 0.486 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.196 5.364 3.285 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.023 4.626 1.886 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.706 0.263 5.513 0.20 0.00 N ATOM 990 N BGLU A 35 -3.427 -0.343 5.713 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.508 -0.818 6.071 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.129 -1.445 6.360 0.80 0.00 C ATOM 993 C AGLU A 35 -5.946 -0.747 5.563 0.20 0.00 C ATOM 994 C BGLU A 35 -5.610 -1.435 5.994 0.80 0.00 C ATOM 995 O AGLU A 35 -6.526 0.334 5.458 0.20 0.00 O ATOM 996 O BGLU A 35 -6.266 -0.394 6.046 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.493 -0.757 7.600 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.966 -1.363 7.878 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.649 -2.115 8.264 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.529 -1.153 8.327 0.80 0.00 C ATOM 1001 CD AGLU A 35 -4.018 -2.165 9.643 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.208 -1.883 9.617 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -2.802 -1.901 9.747 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -1.028 -2.236 9.820 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -4.740 -2.469 10.616 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -3.137 -2.100 10.423 0.80 0.00 O ATOM 0 H AGLU A 35 -3.441 0.983 6.185 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.204 0.436 6.332 0.80 0.00 H new ATOM 0 HA AGLU A 35 -4.072 -1.763 5.747 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.691 -2.378 6.006 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.556 -0.307 7.928 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.579 -0.545 8.257 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.297 -0.102 7.937 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.347 -2.281 8.326 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.709 -2.357 8.344 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.854 -1.495 7.543 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -4.195 -2.879 7.633 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.347 -0.087 8.462 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.514 -1.906 5.248 0.20 0.00 N ATOM 1020 N BARG A 36 -6.131 -2.601 5.626 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.881 -1.976 4.750 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.534 -2.727 5.250 0.80 0.00 C ATOM 1023 C AARG A 36 -8.863 -1.405 5.769 0.20 0.00 C ATOM 1024 C BARG A 36 -8.440 -2.132 6.323 0.80 0.00 C ATOM 1025 O AARG A 36 -8.802 -1.705 6.962 0.20 0.00 O ATOM 1026 O BARG A 36 -8.589 -2.678 7.417 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.255 -3.423 4.423 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.893 -4.196 5.020 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.647 -3.575 3.832 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.343 -4.413 4.621 0.80 0.00 C ATOM 1031 CD AARG A 36 -10.114 -5.021 3.869 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.780 -5.849 4.870 0.80 0.00 C ATOM 1033 NE AARG A 36 -11.349 -5.179 4.631 0.20 0.00 N ATOM 1034 NE BARG A 36 -11.056 -6.152 4.227 0.80 0.00 N ATOM 1035 CZ AARG A 36 -12.124 -6.257 4.562 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.839 -7.162 4.586 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.791 -7.266 3.769 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.478 -7.963 5.580 0.80 0.00 N ATOM 1039 NH2AARG A 36 -13.233 -6.324 5.287 0.20 0.00 N ATOM 1040 NH2BARG A 36 -12.985 -7.375 3.953 0.80 0.00 N ATOM 0 H AARG A 36 -6.048 -2.810 5.329 0.20 0.00 H new ATOM 0 H BARG A 36 -5.602 -3.472 5.580 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.939 -1.378 3.841 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.687 -2.174 4.323 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.526 -3.828 3.721 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.246 -4.602 4.242 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.189 -4.021 5.332 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.688 -4.758 5.931 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.348 -2.951 4.386 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.982 -3.734 5.185 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.647 -3.218 2.802 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.472 -4.170 3.566 0.80 0.00 H new ATOM 0 HD2AARG A 36 -10.268 -5.378 2.851 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.015 -6.530 4.497 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.334 -5.642 4.310 0.20 0.00 H new ATOM 0 HD3BARG A 36 -9.865 -6.021 5.943 0.80 0.00 H new ATOM 0 HE AARG A 36 -11.633 -4.420 5.251 0.20 0.00 H new ATOM 0 HE BARG A 36 -11.362 -5.554 3.459 0.80 0.00 H new ATOM 0 HH11AARG A 36 -10.939 -7.216 3.211 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.598 -7.803 6.070 0.80 0.00 H new ATOM 0 HH12AARG A 36 -12.387 -8.092 3.717 0.20 0.00 H new ATOM 0 HH12BARG A 36 -12.081 -8.739 5.855 0.80 0.00 H new ATOM 0 HH21AARG A 36 -13.491 -5.548 5.897 0.20 0.00 H new ATOM 0 HH21BARG A 36 -13.267 -6.762 3.188 0.80 0.00 H new ATOM 0 HH22AARG A 36 -13.828 -7.151 5.234 0.20 0.00 H new ATOM 0 HH22BARG A 36 -13.585 -8.152 4.231 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.789 -0.560 5.291 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.059 -0.986 6.008 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.800 0.071 6.145 0.20 0.00 C ATOM 1070 CA BPRO A 37 -9.961 -0.291 6.933 0.80 0.00 C ATOM 1071 C APRO A 37 -11.834 -0.927 6.656 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.265 -1.051 7.149 0.80 0.00 C ATOM 1073 O APRO A 37 -12.297 -1.790 5.911 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.587 -1.975 6.402 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.459 1.093 5.215 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.229 1.043 6.232 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.246 0.553 3.844 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.013 0.761 4.784 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.920 -0.158 3.881 0.20 0.00 C ATOM 1080 CD BPRO A 37 -8.928 -0.278 4.723 0.80 0.00 C ATOM 0 HA APRO A 37 -10.361 0.508 7.042 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.525 -0.185 7.926 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.521 1.202 5.436 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.244 1.392 6.420 0.80 0.00 H new ATOM 0 HB3APRO A 37 -11.007 2.079 5.327 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.553 1.820 6.589 0.80 0.00 H new ATOM 0 HG2APRO A 37 -12.048 -0.131 3.565 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -10.928 0.398 4.316 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.239 1.355 3.105 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.719 1.665 4.250 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.907 -1.020 3.214 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.065 -0.952 3.877 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.104 0.496 3.572 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -7.943 0.176 4.613 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.188 -0.803 7.931 0.20 0.00 N ATOM 1096 N BSER A 38 -12.012 -0.655 8.175 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.164 -1.698 8.542 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.280 -1.300 8.491 0.80 0.00 C ATOM 1099 C ASER A 38 -14.574 -1.383 8.049 0.20 0.00 C ATOM 1100 C BSER A 38 -14.349 -0.264 8.827 0.80 0.00 C ATOM 1101 O ASER A 38 -15.250 -2.238 7.480 0.20 0.00 O ATOM 1102 O BSER A 38 -14.054 0.921 8.984 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.107 -1.584 10.067 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.106 -2.267 9.665 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.275 -0.241 10.483 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.325 -2.918 9.974 0.80 0.00 O ATOM 0 H ASER A 38 -11.814 -0.093 8.560 0.20 0.00 H new ATOM 0 H BSER A 38 -11.760 0.110 8.801 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.916 -2.719 8.251 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.603 -1.859 7.613 0.80 0.00 H new ATOM 0 HB2ASER A 38 -13.885 -2.206 10.511 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.346 -3.009 9.420 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.151 -1.963 10.428 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.749 -1.722 10.539 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.237 -0.194 11.461 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.187 -3.531 10.726 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.010 -0.147 8.275 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.593 -0.720 8.932 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.337 0.260 7.848 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.688 0.180 9.249 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.382 0.052 8.926 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.035 -0.517 9.230 0.80 0.00 C ATOM 1123 O AGLY A 39 -18.573 0.247 8.690 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.271 -1.381 10.073 0.80 0.00 O ATOM 0 H AGLY A 39 -14.469 0.579 8.745 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.863 -1.695 8.804 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.317 1.312 7.564 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.522 0.617 10.234 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.619 -0.305 6.959 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.697 1.002 8.533 0.80 0.00 H new TER 1131 GLY A 39