USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 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 B: amide:sc= -1.74 K(o=-3.9,f=-14!) USER MOD Set 1.2: A 29 THR OG1B: rot 180:sc= -2.2 USER MOD Set 2.1: A 16 SER OG B: rot 170:sc= 0 USER MOD Set 2.2: A 19 SER OG B: rot 180:sc= -1.03 USER MOD Single : A 5 SER OG A: rot 180:sc= 0 USER MOD Single : A 5 SER OG B: rot -3:sc= 0.78 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+ -156:sc=-0.00582 (180deg=-0.757) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 171:sc= 0 (180deg=-0.103) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.557 X(o=-0.56,f=-0.69) USER MOD Single : A 18 ASN B: amide:sc=-0.00708 K(o=-0.0071,f=-1.2) USER MOD Single : A 19 SER OG A: rot 180:sc= -0.239 USER MOD Single : A 23 TYR OH A: rot 43:sc= 0.0389 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 26 ASN A: amide:sc= -1.63 K(o=-1.6,f=-14!) USER MOD Single : A 27 HIS A:FLIP no HE2:sc= -0.727 F(o=-1.3,f=-0.73) USER MOD Single : A 27 HIS B: no HE2:sc= -1.72 K(o=-1.7,f=-2.3) USER MOD Single : A 29 THR OG1A: rot 180:sc= 0 USER MOD Single : A 30 ASN A: amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.702 K(o=0.7,f=-0.044) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.114 USER MOD Single : A 32 SER OG B: rot 147:sc= 0.757 USER MOD Single : A 33 GLN A: amide:sc= -0.454 X(o=-0.45,f=-0.67) USER MOD Single : A 33 GLN B: amide:sc= 0.396 X(o=0.4,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.283 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.0821 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -12.414 -4.494 -4.641 0.20 0.00 N ATOM 2 N BSER A 5 -13.411 -3.902 -4.522 0.80 0.00 N ATOM 3 CA ASER A 5 -13.768 -4.162 -5.070 0.20 0.00 C ATOM 4 CA BSER A 5 -14.704 -4.380 -4.997 0.80 0.00 C ATOM 5 C ASER A 5 -14.779 -4.491 -3.977 0.20 0.00 C ATOM 6 C BSER A 5 -15.714 -4.441 -3.856 0.80 0.00 C ATOM 7 O ASER A 5 -15.897 -4.921 -4.257 0.20 0.00 O ATOM 8 O BSER A 5 -16.898 -4.160 -4.044 0.80 0.00 O ATOM 9 CB ASER A 5 -14.122 -4.918 -6.352 0.20 0.00 C ATOM 10 CB BSER A 5 -14.555 -5.763 -5.635 0.80 0.00 C ATOM 11 OG ASER A 5 -13.602 -4.260 -7.494 0.20 0.00 O ATOM 12 OG BSER A 5 -13.239 -6.265 -5.466 0.80 0.00 O ATOM 0 HA ASER A 5 -13.807 -3.091 -5.268 0.20 0.00 H new ATOM 0 HA BSER A 5 -15.071 -3.678 -5.746 0.80 0.00 H new ATOM 0 HB2ASER A 5 -13.725 -5.932 -6.301 0.20 0.00 H new ATOM 0 HB2BSER A 5 -15.271 -6.452 -5.187 0.80 0.00 H new ATOM 0 HB3ASER A 5 -15.205 -5.004 -6.440 0.20 0.00 H new ATOM 0 HB3BSER A 5 -14.791 -5.704 -6.697 0.80 0.00 H new ATOM 0 HG ASER A 5 -13.841 -4.765 -8.299 0.20 0.00 H new ATOM 0 HG BSER A 5 -12.689 -5.595 -5.009 0.80 0.00 H new ATOM 23 N ALYS A 6 -14.378 -4.282 -2.727 0.20 0.00 N ATOM 24 N BLYS A 6 -15.238 -4.809 -2.670 0.80 0.00 N ATOM 25 CA ALYS A 6 -15.248 -4.553 -1.588 0.20 0.00 C ATOM 26 CA BLYS A 6 -16.098 -4.905 -1.497 0.80 0.00 C ATOM 27 C ALYS A 6 -14.928 -3.618 -0.426 0.20 0.00 C ATOM 28 C BLYS A 6 -15.601 -3.991 -0.383 0.80 0.00 C ATOM 29 O ALYS A 6 -14.304 -4.023 0.557 0.20 0.00 O ATOM 30 O BLYS A 6 -15.625 -4.359 0.794 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.098 -6.008 -1.141 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.155 -6.352 -0.999 0.80 0.00 C ATOM 33 CG ALYS A 6 -15.737 -7.006 -2.093 0.20 0.00 C ATOM 34 CG BLYS A 6 -16.352 -7.370 -2.109 0.80 0.00 C ATOM 35 CD ALYS A 6 -15.651 -8.424 -1.556 0.20 0.00 C ATOM 36 CD BLYS A 6 -16.435 -8.784 -1.559 0.80 0.00 C ATOM 37 CE ALYS A 6 -15.684 -9.448 -2.680 0.20 0.00 C ATOM 38 CE BLYS A 6 -15.061 -9.313 -1.176 0.80 0.00 C ATOM 39 NZ ALYS A 6 -16.852 -10.364 -2.562 0.20 0.00 N ATOM 40 NZ BLYS A 6 -15.146 -10.630 -0.486 0.80 0.00 N ATOM 0 H ALYS A 6 -13.456 -3.926 -2.477 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.261 -5.045 -2.497 0.80 0.00 H new ATOM 0 HA ALYS A 6 -16.278 -4.379 -1.899 0.20 0.00 H new ATOM 0 HA BLYS A 6 -17.100 -4.586 -1.784 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -14.038 -6.241 -1.041 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -15.232 -6.581 -0.467 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -15.544 -6.124 -0.153 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -16.969 -6.448 -0.280 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -16.782 -6.740 -2.253 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -17.264 -7.138 -2.659 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -15.242 -6.953 -3.063 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -15.526 -7.302 -2.817 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -14.732 -8.542 -0.982 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -17.088 -8.799 -0.687 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -16.480 -8.606 -0.872 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -16.884 -9.440 -2.305 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -15.722 -8.933 -3.640 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -14.447 -9.411 -2.071 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -14.763 -10.031 -2.668 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -14.563 -8.594 -0.526 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -16.838 -11.047 -3.346 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -14.189 -10.956 -0.242 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -16.803 -10.875 -1.657 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -15.710 -10.531 0.382 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -17.732 -9.811 -2.600 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -15.598 -11.323 -1.116 0.80 0.00 H new ATOM 67 N ALEU A 7 -15.362 -2.368 -0.540 0.20 0.00 N ATOM 68 N BLEU A 7 -15.153 -2.799 -0.757 0.80 0.00 N ATOM 69 CA ALEU A 7 -15.124 -1.376 0.503 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.651 -1.829 0.213 0.80 0.00 C ATOM 71 C ALEU A 7 -16.396 -0.592 0.809 0.20 0.00 C ATOM 72 C BLEU A 7 -15.801 -1.099 0.896 0.80 0.00 C ATOM 73 O ALEU A 7 -17.293 -0.465 -0.026 0.20 0.00 O ATOM 74 O BLEU A 7 -16.901 -0.978 0.355 0.80 0.00 O ATOM 75 CB ALEU A 7 -14.010 -0.417 0.078 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.727 -0.823 -0.475 0.80 0.00 C ATOM 77 CG ALEU A 7 -13.069 -0.924 -1.015 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.228 -1.117 -0.385 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.164 0.195 -1.503 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.937 -2.542 -0.826 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.243 -2.097 -0.505 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.439 -0.124 -1.226 0.80 0.00 C ATOM 0 H ALEU A 7 -15.881 -2.017 -1.345 0.20 0.00 H new ATOM 0 H BLEU A 7 -15.126 -2.479 -1.725 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.817 -1.902 1.407 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.087 -2.369 0.973 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.468 0.510 -0.266 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -14.003 -0.767 -1.528 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.414 -0.171 0.957 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.910 0.162 -0.045 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.672 -1.267 -1.856 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.917 -1.010 0.654 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.502 -0.186 -2.281 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.866 -2.733 -0.755 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.772 1.004 -1.908 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.473 -3.239 -0.182 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.568 0.570 -0.671 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.263 -2.677 -1.857 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.579 -2.445 -1.296 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.375 -0.348 -1.150 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.650 -1.779 0.353 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.753 -0.199 -2.267 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.908 -2.908 -0.206 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.624 0.887 -0.864 0.80 0.00 H new ATOM 105 N APRO A 8 -16.479 -0.051 2.033 0.20 0.00 N ATOM 106 N BPRO A 8 -15.544 -0.595 2.111 0.80 0.00 N ATOM 107 CA APRO A 8 -17.635 0.731 2.477 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.544 0.137 2.894 0.80 0.00 C ATOM 109 C APRO A 8 -17.730 2.079 1.769 0.20 0.00 C ATOM 110 C BPRO A 8 -16.868 1.499 2.292 0.80 0.00 C ATOM 111 O APRO A 8 -16.819 2.495 1.053 0.20 0.00 O ATOM 112 O BPRO A 8 -16.184 1.984 1.389 0.80 0.00 O ATOM 113 CB APRO A 8 -17.377 0.929 3.972 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.875 0.302 4.260 0.80 0.00 C ATOM 115 CG APRO A 8 -15.898 0.826 4.118 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.415 0.242 3.977 0.80 0.00 C ATOM 117 CD APRO A 8 -15.449 -0.163 3.079 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.255 -0.702 2.817 0.80 0.00 C ATOM 0 HA APRO A 8 -18.576 0.228 2.256 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.497 -0.391 2.932 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.742 1.898 4.312 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.150 1.250 4.723 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.887 0.170 4.566 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.178 -0.488 4.947 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.422 1.795 3.966 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -14.024 1.230 3.733 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.627 0.491 5.119 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.863 -0.113 4.848 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.458 0.080 2.695 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.421 -0.415 2.177 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.395 -1.174 3.483 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.063 -1.721 3.152 0.80 0.00 H new ATOM 133 N APRO A 9 -18.856 2.778 1.973 0.20 0.00 N ATOM 134 N BPRO A 9 -17.934 2.134 2.800 0.80 0.00 N ATOM 135 CA APRO A 9 -19.094 4.089 1.363 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.371 3.452 2.326 0.80 0.00 C ATOM 137 C APRO A 9 -18.199 5.174 1.951 0.20 0.00 C ATOM 138 C BPRO A 9 -17.402 4.561 2.718 0.80 0.00 C ATOM 139 O APRO A 9 -18.419 5.635 3.072 0.20 0.00 O ATOM 140 O BPRO A 9 -16.945 4.623 3.860 0.80 0.00 O ATOM 141 CB APRO A 9 -20.563 4.373 1.693 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.720 3.648 3.025 0.80 0.00 C ATOM 143 CG APRO A 9 -20.836 3.576 2.923 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.642 2.802 4.247 0.80 0.00 C ATOM 145 CD APRO A 9 -19.983 2.342 2.815 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.795 1.617 3.877 0.80 0.00 C ATOM 0 HA APRO A 9 -18.874 4.086 0.295 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.427 3.497 1.238 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.732 5.436 1.865 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.885 4.695 3.279 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.218 4.074 0.874 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.546 3.341 2.384 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.588 4.145 3.819 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.200 3.354 5.076 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.892 3.315 2.993 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.635 2.487 4.568 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.645 2.000 3.793 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.209 1.262 4.725 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.528 1.515 2.360 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.403 0.779 3.537 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.187 5.577 1.189 0.20 0.00 N ATOM 162 N BGLY A 10 -17.091 5.433 1.766 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.274 6.605 1.652 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.177 6.528 2.032 0.80 0.00 C ATOM 165 C AGLY A 10 -14.848 6.362 1.198 0.20 0.00 C ATOM 166 C BGLY A 10 -14.725 6.119 1.890 0.80 0.00 C ATOM 167 O AGLY A 10 -14.094 7.306 0.960 0.20 0.00 O ATOM 168 O BGLY A 10 -13.871 6.553 2.663 0.80 0.00 O ATOM 0 H AGLY A 10 -16.983 5.210 0.259 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.456 5.401 0.814 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.608 7.575 1.285 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.389 7.349 1.346 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.303 6.649 2.741 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.348 6.903 3.041 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.476 5.091 1.079 0.20 0.00 N ATOM 176 N BTRP A 11 -14.443 5.281 0.898 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.129 4.728 0.651 0.20 0.00 C ATOM 178 CA BTRP A 11 -13.084 4.811 0.658 0.80 0.00 C ATOM 179 C ATRP A 11 -13.106 4.375 -0.832 0.20 0.00 C ATOM 180 C BTRP A 11 -12.844 4.576 -0.830 0.80 0.00 C ATOM 181 O ATRP A 11 -14.121 3.970 -1.398 0.20 0.00 O ATOM 182 O BTRP A 11 -13.697 4.025 -1.524 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.612 3.547 1.477 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.821 3.522 1.439 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.324 3.903 2.905 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.702 3.737 2.916 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.143 3.708 3.979 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.711 3.682 3.837 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.133 4.515 3.411 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.510 4.045 3.646 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.534 4.163 5.124 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.216 3.934 5.093 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.300 4.662 4.802 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.867 4.160 5.003 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.942 4.953 2.826 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.172 4.231 3.284 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.321 5.228 5.613 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -10.936 4.454 5.996 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.971 5.515 3.632 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.250 4.524 4.271 0.80 0.00 C ATOM 201 CH2ATRP A 11 -9.164 5.648 5.014 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.635 4.633 5.613 0.80 0.00 C ATOM 0 H ATRP A 11 -15.086 4.297 1.272 0.20 0.00 H new ATOM 0 H BTRP A 11 -15.137 4.914 0.248 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.479 5.588 0.811 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.394 5.582 1.002 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.349 2.744 1.451 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.630 2.817 1.246 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.703 3.160 1.016 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.903 3.063 1.071 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.125 3.262 3.936 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.746 3.471 3.610 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.936 4.134 6.061 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.763 3.950 5.953 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.783 4.854 1.762 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.865 4.147 2.252 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.469 5.332 6.678 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.231 4.538 7.032 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -8.047 5.858 3.190 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.214 4.671 4.003 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.385 6.090 5.618 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -8.890 4.863 6.360 0.80 0.00 H new ATOM 223 N AGLU A 12 -11.942 4.532 -1.455 0.20 0.00 N ATOM 224 N BGLU A 12 -11.680 4.998 -1.312 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.788 4.231 -2.873 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.328 4.834 -2.717 0.80 0.00 C ATOM 227 C AGLU A 12 -10.412 3.637 -3.157 0.20 0.00 C ATOM 228 C BGLU A 12 -9.982 4.134 -2.864 0.80 0.00 C ATOM 229 O AGLU A 12 -9.442 3.925 -2.456 0.20 0.00 O ATOM 230 O BGLU A 12 -9.039 4.410 -2.120 0.80 0.00 O ATOM 231 CB AGLU A 12 -11.994 5.493 -3.711 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.290 6.195 -3.419 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.788 6.417 -3.726 0.20 0.00 C ATOM 234 CG BGLU A 12 -11.977 6.198 -4.773 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.092 6.443 -5.073 0.20 0.00 C ATOM 236 CD BGLU A 12 -11.752 4.915 -5.547 0.80 0.00 C ATOM 237 OE1AGLU A 12 -10.211 5.451 -5.822 0.20 0.00 O ATOM 238 OE1BGLU A 12 -12.691 4.095 -5.622 0.80 0.00 O ATOM 239 OE2AGLU A 12 -9.429 7.456 -5.378 0.20 0.00 O ATOM 240 OE2BGLU A 12 -10.638 4.730 -6.079 0.80 0.00 O ATOM 0 H AGLU A 12 -11.092 4.866 -1.000 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.964 5.457 -0.749 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.545 3.496 -3.146 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.092 4.213 -3.186 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.233 5.204 -4.735 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -11.764 6.939 -2.778 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.855 6.039 -3.325 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.251 6.500 -3.547 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.105 7.427 -3.465 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.047 6.349 -4.632 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.080 6.097 -2.961 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -11.610 7.040 -5.360 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.334 2.806 -4.192 0.20 0.00 N ATOM 254 N BLYS A 13 -9.895 3.223 -3.829 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.078 2.171 -4.572 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.665 2.483 -4.075 0.80 0.00 C ATOM 257 C ALYS A 13 -8.159 3.163 -5.275 0.20 0.00 C ATOM 258 C BLYS A 13 -7.799 3.196 -5.111 0.80 0.00 C ATOM 259 O ALYS A 13 -8.455 3.628 -6.375 0.20 0.00 O ATOM 260 O BLYS A 13 -8.244 3.462 -6.228 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.344 0.971 -5.482 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.985 1.066 -4.553 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.279 -0.109 -5.392 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.758 0.264 -4.948 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.709 -1.375 -6.113 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.136 -1.056 -5.597 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.979 -2.598 -5.576 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.431 -2.125 -4.555 0.80 0.00 C ATOM 269 NZ ALYS A 13 -7.808 -3.646 -6.619 0.20 0.00 N ATOM 270 NZ BLYS A 13 -7.211 -2.896 -4.192 0.80 0.00 N ATOM 0 H ALYS A 13 -11.127 2.557 -4.783 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.664 2.980 -4.453 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.584 1.826 -3.663 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.110 2.428 -3.138 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.311 0.538 -5.225 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.515 0.536 -3.762 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.413 1.316 -6.514 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.661 1.124 -5.406 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.348 0.259 -5.824 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.148 0.847 -5.638 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -8.077 -0.336 -4.345 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.147 0.074 -4.065 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.784 -1.513 -5.999 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -9.011 -0.913 -6.231 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.512 -1.272 -7.180 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.325 -1.390 -6.243 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -7.001 -2.300 -5.198 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.844 -1.657 -3.661 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -8.534 -3.011 -4.734 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -9.191 -2.806 -4.938 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -7.307 -4.462 -6.213 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.487 -3.829 -3.825 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -8.742 -3.950 -6.963 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.614 -3.018 -5.035 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -7.256 -3.260 -7.412 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.679 -2.380 -3.462 0.80 0.00 H new ATOM 297 N AARG A 14 -7.040 3.483 -4.631 0.20 0.00 N ATOM 298 N BARG A 14 -6.563 3.500 -4.733 0.80 0.00 N ATOM 299 CA AARG A 14 -6.075 4.420 -5.197 0.20 0.00 C ATOM 300 CA BARG A 14 -5.635 4.181 -5.629 0.80 0.00 C ATOM 301 C AARG A 14 -4.727 3.743 -5.427 0.20 0.00 C ATOM 302 C BARG A 14 -4.302 3.446 -5.693 0.80 0.00 C ATOM 303 O AARG A 14 -4.355 2.819 -4.704 0.20 0.00 O ATOM 304 O BARG A 14 -4.022 2.574 -4.869 0.80 0.00 O ATOM 305 CB AARG A 14 -5.901 5.627 -4.272 0.20 0.00 C ATOM 306 CB BARG A 14 -5.412 5.624 -5.166 0.80 0.00 C ATOM 307 CG AARG A 14 -6.671 6.857 -4.723 0.20 0.00 C ATOM 308 CG BARG A 14 -6.697 6.421 -5.017 0.80 0.00 C ATOM 309 CD AARG A 14 -5.770 8.080 -4.799 0.20 0.00 C ATOM 310 CD BARG A 14 -6.767 7.558 -6.025 0.80 0.00 C ATOM 311 NE AARG A 14 -6.084 8.918 -5.952 0.20 0.00 N ATOM 312 NE BARG A 14 -5.599 8.432 -5.946 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.668 8.659 -7.186 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.376 9.438 -6.783 0.80 0.00 C ATOM 315 NH1AARG A 14 -4.924 7.589 -7.426 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.238 9.698 -7.757 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.996 9.472 -8.184 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.290 10.189 -6.645 0.80 0.00 N ATOM 0 H AARG A 14 -6.780 3.108 -3.719 0.20 0.00 H new ATOM 0 H BARG A 14 -6.180 3.286 -3.812 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.459 4.760 -6.159 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.074 4.189 -6.627 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.225 5.354 -3.268 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.888 5.613 -4.210 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.842 5.875 -4.208 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.762 6.129 -5.880 0.80 0.00 H new ATOM 0 HG2AARG A 14 -7.117 6.671 -5.700 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.554 5.761 -5.152 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.490 7.049 -4.030 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.761 6.825 -4.006 0.80 0.00 H new ATOM 0 HD2AARG A 14 -5.875 8.665 -3.886 0.20 0.00 H new ATOM 0 HD2BARG A 14 -6.844 7.146 -7.031 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.729 7.761 -4.855 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.670 8.143 -5.850 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.655 9.749 -5.801 0.20 0.00 H new ATOM 0 HE BARG A 14 -4.917 8.260 -5.207 0.80 0.00 H new ATOM 0 HH11AARG A 14 -4.670 6.963 -6.662 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.075 9.124 -7.864 0.80 0.00 H new ATOM 0 HH12AARG A 14 -4.605 7.392 -8.375 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.064 10.472 -8.399 0.80 0.00 H new ATOM 0 HH21AARG A 14 -6.568 10.297 -8.003 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.626 9.993 -5.896 0.80 0.00 H new ATOM 0 HH22AARG A 14 -5.676 9.272 -9.131 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.119 10.962 -7.288 0.80 0.00 H new ATOM 345 N AMET A 15 -4.001 4.208 -6.436 0.20 0.00 N ATOM 346 N BMET A 15 -3.483 3.798 -6.678 0.80 0.00 N ATOM 347 CA AMET A 15 -2.695 3.649 -6.762 0.20 0.00 C ATOM 348 CA BMET A 15 -2.177 3.171 -6.850 0.80 0.00 C ATOM 349 C AMET A 15 -1.615 4.724 -6.716 0.20 0.00 C ATOM 350 C BMET A 15 -1.107 4.215 -7.153 0.80 0.00 C ATOM 351 O AMET A 15 -1.915 5.913 -6.609 0.20 0.00 O ATOM 352 O BMET A 15 -1.233 4.986 -8.105 0.80 0.00 O ATOM 353 CB AMET A 15 -2.725 2.996 -8.145 0.20 0.00 C ATOM 354 CB BMET A 15 -2.231 2.136 -7.974 0.80 0.00 C ATOM 355 CG AMET A 15 -1.815 1.784 -8.265 0.20 0.00 C ATOM 356 CG BMET A 15 -0.864 1.598 -8.369 0.80 0.00 C ATOM 357 SD AMET A 15 -0.477 2.032 -9.448 0.20 0.00 S ATOM 358 SD BMET A 15 -0.869 -0.185 -8.636 0.80 0.00 S ATOM 359 CE AMET A 15 0.555 0.613 -9.097 0.20 0.00 C ATOM 360 CE BMET A 15 0.640 -0.392 -9.578 0.80 0.00 C ATOM 0 H AMET A 15 -4.295 4.972 -7.044 0.20 0.00 H new ATOM 0 H BMET A 15 -3.700 4.515 -7.370 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.457 2.890 -6.016 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.915 2.671 -5.917 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.748 2.696 -8.374 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.864 1.305 -7.662 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.434 3.734 -8.893 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.703 2.585 -8.848 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.392 1.554 -7.287 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.531 2.097 -9.279 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.406 0.920 -8.567 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.143 1.843 -7.589 0.80 0.00 H new ATOM 0 HE1AMET A 15 1.427 0.626 -9.751 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.861 -1.454 -9.683 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.881 0.648 -8.057 0.20 0.00 H new ATOM 0 HE2BMET A 15 0.516 0.052 -10.566 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.013 -0.301 -9.268 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.463 0.100 -9.060 0.80 0.00 H new ATOM 379 N ASER A 16 -0.359 4.300 -6.801 0.20 0.00 N ATOM 380 N BSER A 16 -0.056 4.234 -6.340 0.80 0.00 N ATOM 381 CA ASER A 16 0.767 5.228 -6.766 0.20 0.00 C ATOM 382 CA BSER A 16 1.032 5.186 -6.521 0.80 0.00 C ATOM 383 C ASER A 16 1.640 5.069 -8.007 0.20 0.00 C ATOM 384 C BSER A 16 1.661 5.038 -7.903 0.80 0.00 C ATOM 385 O ASER A 16 1.764 3.976 -8.557 0.20 0.00 O ATOM 386 O BSER A 16 1.592 3.974 -8.518 0.80 0.00 O ATOM 387 CB ASER A 16 1.603 5.000 -5.506 0.20 0.00 C ATOM 388 CB BSER A 16 2.097 4.985 -5.440 0.80 0.00 C ATOM 389 OG ASER A 16 1.821 6.215 -4.811 0.20 0.00 O ATOM 390 OG BSER A 16 2.069 6.039 -4.495 0.80 0.00 O ATOM 0 H ASER A 16 -0.094 3.319 -6.895 0.20 0.00 H new ATOM 0 H BSER A 16 0.065 3.601 -5.550 0.80 0.00 H new ATOM 0 HA ASER A 16 0.370 6.243 -6.751 0.20 0.00 H new ATOM 0 HA BSER A 16 0.620 6.191 -6.435 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.096 4.290 -4.853 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.931 4.034 -4.934 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.561 4.556 -5.777 0.20 0.00 H new ATOM 0 HB3BSER A 16 3.083 4.932 -5.902 0.80 0.00 H new ATOM 0 HG ASER A 16 2.356 6.041 -4.009 0.20 0.00 H new ATOM 0 HG BSER A 16 2.641 5.810 -3.733 0.80 0.00 H new ATOM 401 N AARG A 17 2.244 6.170 -8.443 0.20 0.00 N ATOM 402 N BARG A 17 2.273 6.114 -8.387 0.80 0.00 N ATOM 403 CA AARG A 17 3.104 6.157 -9.618 0.20 0.00 C ATOM 404 CA BARG A 17 2.912 6.105 -9.698 0.80 0.00 C ATOM 405 C AARG A 17 4.490 6.698 -9.283 0.20 0.00 C ATOM 406 C BARG A 17 4.431 6.038 -9.560 0.80 0.00 C ATOM 407 O AARG A 17 5.182 7.238 -10.147 0.20 0.00 O ATOM 408 O BARG A 17 5.114 5.466 -10.407 0.80 0.00 O ATOM 409 CB AARG A 17 2.479 6.983 -10.744 0.20 0.00 C ATOM 410 CB BARG A 17 2.516 7.354 -10.490 0.80 0.00 C ATOM 411 CG AARG A 17 1.953 8.334 -10.288 0.20 0.00 C ATOM 412 CG BARG A 17 1.024 7.643 -10.461 0.80 0.00 C ATOM 413 CD AARG A 17 1.880 9.324 -11.440 0.20 0.00 C ATOM 414 CD BARG A 17 0.680 8.875 -11.286 0.80 0.00 C ATOM 415 NE AARG A 17 1.246 8.742 -12.620 0.20 0.00 N ATOM 416 NE BARG A 17 1.237 8.804 -12.633 0.80 0.00 N ATOM 417 CZ AARG A 17 1.283 9.302 -13.825 0.20 0.00 C ATOM 418 CZ BARG A 17 1.187 9.806 -13.503 0.80 0.00 C ATOM 419 NH1AARG A 17 1.919 10.450 -14.006 0.20 0.00 N ATOM 420 NH1BARG A 17 0.608 10.951 -13.167 0.80 0.00 N ATOM 421 NH2AARG A 17 0.682 8.712 -14.850 0.20 0.00 N ATOM 422 NH2BARG A 17 1.717 9.665 -14.711 0.80 0.00 N ATOM 0 H AARG A 17 2.153 7.083 -7.998 0.20 0.00 H new ATOM 0 H BARG A 17 2.340 7.003 -7.891 0.80 0.00 H new ATOM 0 HA AARG A 17 3.207 5.124 -9.950 0.20 0.00 H new ATOM 0 HA BARG A 17 2.573 5.219 -10.235 0.80 0.00 H new ATOM 0 HB2AARG A 17 3.223 7.137 -11.526 0.20 0.00 H new ATOM 0 HB2BARG A 17 3.052 8.214 -10.089 0.80 0.00 H new ATOM 0 HB3AARG A 17 1.662 6.416 -11.189 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.835 7.234 -11.525 0.80 0.00 H new ATOM 0 HG2AARG A 17 0.962 8.211 -9.850 0.20 0.00 H new ATOM 0 HG2BARG A 17 0.478 6.782 -10.846 0.80 0.00 H new ATOM 0 HG3AARG A 17 2.600 8.732 -9.506 0.20 0.00 H new ATOM 0 HG3BARG A 17 0.701 7.791 -9.431 0.80 0.00 H new ATOM 0 HD2AARG A 17 1.322 10.206 -11.126 0.20 0.00 H new ATOM 0 HD2BARG A 17 -0.403 8.980 -11.347 0.80 0.00 H new ATOM 0 HD3AARG A 17 2.886 9.658 -11.696 0.20 0.00 H new ATOM 0 HD3BARG A 17 1.059 9.765 -10.784 0.80 0.00 H new ATOM 0 HE AARG A 17 0.748 7.858 -12.514 0.20 0.00 H new ATOM 0 HE BARG A 17 1.690 7.937 -12.922 0.80 0.00 H new ATOM 0 HH11AARG A 17 2.382 10.906 -13.220 0.20 0.00 H new ATOM 0 HH11BARG A 17 0.200 11.063 -12.239 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.946 10.878 -14.932 0.20 0.00 H new ATOM 0 HH12BARG A 17 0.571 11.719 -13.837 0.80 0.00 H new ATOM 0 HH21AARG A 17 0.191 7.828 -14.714 0.20 0.00 H new ATOM 0 HH21BARG A 17 2.164 8.786 -14.973 0.80 0.00 H new ATOM 0 HH22AARG A 17 0.711 9.142 -15.774 0.20 0.00 H new ATOM 0 HH22BARG A 17 1.678 10.436 -15.378 0.80 0.00 H new ATOM 449 N AASN A 18 4.891 6.550 -8.025 0.20 0.00 N ATOM 450 N BASN A 18 4.950 6.627 -8.488 0.80 0.00 N ATOM 451 CA AASN A 18 6.193 7.025 -7.575 0.20 0.00 C ATOM 452 CA BASN A 18 6.387 6.635 -8.241 0.80 0.00 C ATOM 453 C AASN A 18 6.848 6.015 -6.639 0.20 0.00 C ATOM 454 C BASN A 18 6.836 5.324 -7.605 0.80 0.00 C ATOM 455 O AASN A 18 7.605 6.385 -5.741 0.20 0.00 O ATOM 456 O BASN A 18 7.935 4.836 -7.873 0.80 0.00 O ATOM 457 CB AASN A 18 6.051 8.375 -6.870 0.20 0.00 C ATOM 458 CB BASN A 18 6.763 7.809 -7.337 0.80 0.00 C ATOM 459 CG AASN A 18 7.393 9.032 -6.606 0.20 0.00 C ATOM 460 CG BASN A 18 8.252 8.100 -7.355 0.80 0.00 C ATOM 461 OD1AASN A 18 7.820 9.161 -5.458 0.20 0.00 O ATOM 462 OD1BASN A 18 9.022 7.415 -8.032 0.80 0.00 O ATOM 463 ND2AASN A 18 8.065 9.455 -7.671 0.20 0.00 N ATOM 464 ND2BASN A 18 8.667 9.119 -6.612 0.80 0.00 N ATOM 0 H AASN A 18 4.331 6.104 -7.298 0.20 0.00 H new ATOM 0 H BASN A 18 4.397 7.105 -7.777 0.80 0.00 H new ATOM 0 HA AASN A 18 6.830 7.146 -8.451 0.20 0.00 H new ATOM 0 HA BASN A 18 6.895 6.746 -9.199 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.438 9.038 -7.481 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.218 8.698 -7.655 0.80 0.00 H new ATOM 0 HB3AASN A 18 5.525 8.235 -5.925 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.450 7.592 -6.316 0.80 0.00 H new ATOM 0 HD21AASN A 18 8.972 9.907 -7.555 0.20 0.00 H new ATOM 0 HD21BASN A 18 9.657 9.361 -6.586 0.80 0.00 H new ATOM 0 HD22AASN A 18 7.674 9.328 -8.604 0.20 0.00 H new ATOM 0 HD22BASN A 18 7.995 9.660 -6.067 0.80 0.00 H new ATOM 477 N ASER A 19 6.552 4.736 -6.855 0.20 0.00 N ATOM 478 N BSER A 19 5.979 4.756 -6.761 0.80 0.00 N ATOM 479 CA ASER A 19 7.108 3.673 -6.027 0.20 0.00 C ATOM 480 CA BSER A 19 6.289 3.503 -6.084 0.80 0.00 C ATOM 481 C ASER A 19 6.659 2.304 -6.530 0.20 0.00 C ATOM 482 C BSER A 19 5.556 2.336 -6.737 0.80 0.00 C ATOM 483 O ASER A 19 7.481 1.466 -6.899 0.20 0.00 O ATOM 484 O BSER A 19 6.167 1.343 -7.129 0.80 0.00 O ATOM 485 CB ASER A 19 6.685 3.857 -4.570 0.20 0.00 C ATOM 486 CB BSER A 19 5.912 3.592 -4.604 0.80 0.00 C ATOM 487 OG ASER A 19 5.274 3.849 -4.442 0.20 0.00 O ATOM 488 OG BSER A 19 4.512 3.737 -4.442 0.80 0.00 O ATOM 0 H ASER A 19 5.931 4.412 -7.596 0.20 0.00 H new ATOM 0 H BSER A 19 5.065 5.145 -6.530 0.80 0.00 H new ATOM 0 HA ASER A 19 8.195 3.727 -6.091 0.20 0.00 H new ATOM 0 HA BSER A 19 7.362 3.329 -6.169 0.80 0.00 H new ATOM 0 HB2ASER A 19 7.113 3.061 -3.961 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.250 2.695 -4.085 0.80 0.00 H new ATOM 0 HB3ASER A 19 7.082 4.798 -4.189 0.20 0.00 H new ATOM 0 HB3BSER A 19 6.424 4.438 -4.145 0.80 0.00 H new ATOM 0 HG ASER A 19 5.030 3.967 -3.500 0.20 0.00 H new ATOM 0 HG BSER A 19 4.297 3.790 -3.487 0.80 0.00 H new ATOM 499 N AGLY A 20 5.348 2.085 -6.541 0.20 0.00 N ATOM 500 N BGLY A 20 4.237 2.465 -6.854 0.80 0.00 N ATOM 501 CA AGLY A 20 4.810 0.818 -6.999 0.20 0.00 C ATOM 502 CA BGLY A 20 3.439 1.415 -7.459 0.80 0.00 C ATOM 503 C AGLY A 20 4.054 0.081 -5.912 0.20 0.00 C ATOM 504 C BGLY A 20 2.720 0.565 -6.430 0.80 0.00 C ATOM 505 O AGLY A 20 4.610 -0.787 -5.238 0.20 0.00 O ATOM 506 O BGLY A 20 2.307 -0.557 -6.722 0.80 0.00 O ATOM 0 H AGLY A 20 4.648 2.763 -6.240 0.20 0.00 H new ATOM 0 H BGLY A 20 3.708 3.278 -6.540 0.80 0.00 H new ATOM 0 HA2AGLY A 20 4.145 0.994 -7.844 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.707 1.862 -8.132 0.80 0.00 H new ATOM 0 HA3AGLY A 20 5.625 0.190 -7.360 0.20 0.00 H new ATOM 0 HA3BGLY A 20 4.083 0.778 -8.066 0.80 0.00 H new ATOM 513 N AARG A 21 2.783 0.428 -5.740 0.20 0.00 N ATOM 514 N BARG A 21 2.572 1.101 -5.223 0.80 0.00 N ATOM 515 CA AARG A 21 1.950 -0.205 -4.723 0.20 0.00 C ATOM 516 CA BARG A 21 1.900 0.383 -4.147 0.80 0.00 C ATOM 517 C AARG A 21 0.548 0.399 -4.716 0.20 0.00 C ATOM 518 C BARG A 21 0.438 0.807 -4.040 0.80 0.00 C ATOM 519 O AARG A 21 0.175 1.139 -5.626 0.20 0.00 O ATOM 520 O BARG A 21 0.123 1.997 -4.057 0.80 0.00 O ATOM 521 CB AARG A 21 2.589 -0.051 -3.341 0.20 0.00 C ATOM 522 CB BARG A 21 2.613 0.632 -2.817 0.80 0.00 C ATOM 523 CG AARG A 21 2.818 -1.374 -2.627 0.20 0.00 C ATOM 524 CG BARG A 21 3.507 -0.518 -2.380 0.80 0.00 C ATOM 525 CD AARG A 21 3.890 -1.247 -1.555 0.20 0.00 C ATOM 526 CD BARG A 21 4.729 -0.017 -1.626 0.80 0.00 C ATOM 527 NE AARG A 21 3.699 -0.062 -0.724 0.20 0.00 N ATOM 528 NE BARG A 21 4.383 0.996 -0.633 0.80 0.00 N ATOM 529 CZ AARG A 21 4.584 0.359 0.172 0.20 0.00 C ATOM 530 CZ BARG A 21 3.864 0.713 0.557 0.80 0.00 C ATOM 531 NH1AARG A 21 5.718 -0.306 0.350 0.20 0.00 N ATOM 532 NH1BARG A 21 3.630 -0.547 0.899 0.80 0.00 N ATOM 533 NH2AARG A 21 4.338 1.448 0.889 0.20 0.00 N ATOM 534 NH2BARG A 21 3.575 1.691 1.405 0.80 0.00 N ATOM 0 H AARG A 21 2.307 1.143 -6.291 0.20 0.00 H new ATOM 0 H BARG A 21 2.908 2.029 -4.966 0.80 0.00 H new ATOM 0 HA AARG A 21 1.870 -1.265 -4.963 0.20 0.00 H new ATOM 0 HA BARG A 21 1.935 -0.682 -4.377 0.80 0.00 H new ATOM 0 HB2AARG A 21 3.543 0.466 -3.446 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.215 1.537 -2.901 0.80 0.00 H new ATOM 0 HB3AARG A 21 1.951 0.581 -2.723 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.867 0.815 -2.043 0.80 0.00 H new ATOM 0 HG2AARG A 21 1.886 -1.711 -2.174 0.20 0.00 H new ATOM 0 HG2BARG A 21 2.941 -1.200 -1.746 0.80 0.00 H new ATOM 0 HG3AARG A 21 3.113 -2.134 -3.351 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.825 -1.086 -3.254 0.80 0.00 H new ATOM 0 HD2AARG A 21 3.879 -2.136 -0.925 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.219 -0.856 -1.132 0.80 0.00 H new ATOM 0 HD3AARG A 21 4.871 -1.203 -2.028 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.446 0.399 -2.334 0.80 0.00 H new ATOM 0 HE AARG A 21 2.838 0.472 -0.838 0.20 0.00 H new ATOM 0 HE BARG A 21 4.549 1.975 -0.866 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.911 -1.142 -0.202 0.20 0.00 H new ATOM 0 HH11BARG A 21 3.849 -1.301 0.248 0.80 0.00 H new ATOM 0 HH12AARG A 21 6.397 0.019 1.039 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.232 -0.762 1.813 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.468 1.963 0.752 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.751 2.661 1.144 0.80 0.00 H new ATOM 0 HH22AARG A 21 5.019 1.770 1.577 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.177 1.473 2.318 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.224 0.077 -3.683 0.20 0.00 N ATOM 562 N BVAL A 22 -0.451 -0.176 -3.930 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.584 0.586 -3.557 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.879 0.096 -3.820 0.80 0.00 C ATOM 565 C AVAL A 22 -1.918 0.910 -2.105 0.20 0.00 C ATOM 566 C BVAL A 22 -2.250 0.526 -2.405 0.80 0.00 C ATOM 567 O AVAL A 22 -1.288 0.392 -1.183 0.20 0.00 O ATOM 568 O BVAL A 22 -1.732 -0.011 -1.426 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.614 -0.423 -4.097 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.716 -1.138 -4.205 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.660 -0.380 -5.616 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.197 -0.869 -3.990 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.293 -1.825 -3.604 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.443 -1.539 -5.647 0.80 0.00 C ATOM 0 H AVAL A 22 0.070 -0.534 -2.921 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.207 -1.166 -3.915 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.636 1.499 -4.151 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.101 0.908 -4.513 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.599 -0.147 -3.721 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.425 -1.967 -3.560 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.394 -1.100 -5.978 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.771 -1.753 -4.268 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.942 0.621 -5.943 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.376 -0.635 -2.940 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.678 -0.630 -6.017 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.507 -0.026 -4.607 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.031 -2.526 -3.995 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.043 -2.413 -5.902 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.300 -2.113 -3.949 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.704 -0.714 -6.310 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.318 -1.842 -2.514 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.386 -1.778 -5.764 0.80 0.00 H new ATOM 593 N ATYR A 23 -2.912 1.769 -1.911 0.20 0.00 N ATOM 594 N BTYR A 23 -3.151 1.497 -2.304 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.330 2.164 -0.570 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.589 2.000 -1.008 0.80 0.00 C ATOM 597 C ATYR A 23 -4.817 2.505 -0.540 0.20 0.00 C ATOM 598 C BTYR A 23 -5.031 2.499 -1.076 0.80 0.00 C ATOM 599 O ATYR A 23 -5.520 2.350 -1.539 0.20 0.00 O ATOM 600 O BTYR A 23 -5.650 2.495 -2.140 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.509 3.365 -0.091 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.670 3.128 -0.537 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.448 4.494 -1.093 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.747 4.370 -1.397 0.80 0.00 C ATOM 605 CD1ATYR A 23 -1.527 4.476 -2.134 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.847 4.578 -2.434 0.80 0.00 C ATOM 607 CD2ATYR A 23 -3.311 5.580 -1.001 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.719 5.336 -1.170 0.80 0.00 C ATOM 609 CE1ATYR A 23 -1.467 5.508 -3.051 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.911 5.712 -3.222 0.80 0.00 C ATOM 611 CE2ATYR A 23 -3.257 6.614 -1.915 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.794 6.471 -1.953 0.80 0.00 C ATOM 613 CZ ATYR A 23 -2.335 6.574 -2.938 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.888 6.654 -2.977 0.80 0.00 C ATOM 615 OH ATYR A 23 -2.277 7.603 -3.851 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.957 7.786 -3.757 0.80 0.00 O ATOM 0 H ATYR A 23 -3.444 2.205 -2.664 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.592 1.951 -3.104 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.156 1.322 0.100 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.540 1.178 -0.293 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -2.936 3.739 0.839 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.927 3.390 0.489 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.495 3.035 0.134 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.642 2.767 -0.526 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -0.847 3.642 -2.228 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -1.083 3.840 -2.628 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -4.036 5.616 -0.201 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.428 5.197 -0.367 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -0.744 5.480 -3.853 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -1.202 5.859 -4.023 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -3.935 7.450 -1.828 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.558 7.211 -1.765 0.80 0.00 H new ATOM 0 HH ATYR A 23 -2.165 7.235 -4.752 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.702 8.347 -3.454 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.286 2.971 0.612 0.20 0.00 N ATOM 636 N BTYR A 24 -5.556 2.927 0.065 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.689 3.333 0.775 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.924 3.426 0.136 0.80 0.00 C ATOM 639 C ATYR A 24 -6.834 4.812 1.116 0.20 0.00 C ATOM 640 C BTYR A 24 -6.958 4.842 0.706 0.80 0.00 C ATOM 641 O ATYR A 24 -6.157 5.323 2.010 0.20 0.00 O ATOM 642 O BTYR A 24 -6.241 5.160 1.656 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.334 2.478 1.866 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.784 2.499 0.997 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.357 1.001 1.546 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.571 1.031 0.704 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.383 0.146 2.047 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.893 0.216 1.601 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.354 0.461 0.742 0.20 0.00 C ATOM 650 CD2BTYR A 24 -8.044 0.460 -0.471 0.80 0.00 C ATOM 651 CE1ATYR A 24 -6.401 -1.204 1.757 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.695 -1.126 1.338 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.378 -0.890 0.447 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.852 -0.880 -0.743 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.398 -1.716 0.956 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.177 -1.669 0.166 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.420 -3.062 0.665 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.982 -3.005 -0.102 0.80 0.00 O ATOM 0 H ATYR A 24 -4.715 3.107 1.447 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.056 2.939 0.954 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.199 3.147 -0.170 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.328 3.450 -0.876 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -6.794 2.630 2.801 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.565 2.687 2.048 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.356 2.822 2.028 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.835 2.743 0.841 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -5.599 0.544 2.674 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.514 0.638 2.520 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -9.122 1.106 0.341 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.571 1.076 -1.185 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -5.637 -1.855 2.156 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -6.166 -1.746 2.046 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -9.160 -1.296 -0.178 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -8.228 -1.308 -1.661 0.80 0.00 H new ATOM 0 HH ATYR A 24 -8.188 -3.260 0.090 0.20 0.00 H new ATOM 0 HH BTYR A 24 -7.384 -3.227 -0.968 0.80 0.00 H new ATOM 677 N APHE A 25 -7.723 5.495 0.402 0.20 0.00 N ATOM 678 N BPHE A 25 -7.795 5.689 0.118 0.80 0.00 N ATOM 679 CA APHE A 25 -7.958 6.916 0.629 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.924 7.071 0.564 0.80 0.00 C ATOM 681 C APHE A 25 -9.451 7.213 0.711 0.20 0.00 C ATOM 682 C BPHE A 25 -9.380 7.416 0.854 0.80 0.00 C ATOM 683 O APHE A 25 -10.209 6.907 -0.208 0.20 0.00 O ATOM 684 O BPHE A 25 -10.291 6.917 0.193 0.80 0.00 O ATOM 685 CB APHE A 25 -7.323 7.743 -0.490 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.362 8.025 -0.492 0.80 0.00 C ATOM 687 CG APHE A 25 -7.544 9.222 -0.340 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.706 9.465 -0.243 0.80 0.00 C ATOM 689 CD1APHE A 25 -6.576 10.026 0.242 0.20 0.00 C ATOM 690 CD1BPHE A 25 -7.189 10.134 0.856 0.80 0.00 C ATOM 691 CD2APHE A 25 -8.719 9.809 -0.781 0.20 0.00 C ATOM 692 CD2BPHE A 25 -8.546 10.152 -1.105 0.80 0.00 C ATOM 693 CE1APHE A 25 -6.775 11.385 0.381 0.20 0.00 C ATOM 694 CE1BPHE A 25 -7.503 11.461 1.088 0.80 0.00 C ATOM 695 CE2APHE A 25 -8.925 11.169 -0.644 0.20 0.00 C ATOM 696 CE2BPHE A 25 -8.864 11.478 -0.878 0.80 0.00 C ATOM 697 CZ APHE A 25 -7.952 11.958 -0.062 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.341 12.133 0.220 0.80 0.00 C ATOM 0 H APHE A 25 -8.293 5.087 -0.339 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.395 5.443 -0.669 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.499 7.188 1.579 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.353 7.183 1.486 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.252 7.544 -0.515 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.278 7.919 -0.525 0.80 0.00 H new ATOM 0 HB3APHE A 25 -7.730 7.418 -1.447 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.741 7.734 -1.472 0.80 0.00 H new ATOM 0 HD1APHE A 25 -5.655 9.584 0.591 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -6.534 9.613 1.539 0.80 0.00 H new ATOM 0 HD2APHE A 25 -9.483 9.197 -1.237 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -8.957 9.645 -1.965 0.80 0.00 H new ATOM 0 HE1APHE A 25 -6.012 12.000 0.835 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -7.093 11.971 1.947 0.80 0.00 H new ATOM 0 HE2APHE A 25 -9.846 11.614 -0.992 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -9.520 12.001 -1.558 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.111 13.021 0.047 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.587 13.169 0.399 0.80 0.00 H new ATOM 717 N AASN A 26 -9.869 7.810 1.825 0.20 0.00 N ATOM 718 N BASN A 26 -9.596 8.274 1.846 0.80 0.00 N ATOM 719 CA AASN A 26 -11.273 8.148 2.030 0.20 0.00 C ATOM 720 CA BASN A 26 -10.942 8.685 2.226 0.80 0.00 C ATOM 721 C AASN A 26 -11.564 9.572 1.565 0.20 0.00 C ATOM 722 C BASN A 26 -11.210 10.126 1.799 0.80 0.00 C ATOM 723 O AASN A 26 -10.813 10.501 1.866 0.20 0.00 O ATOM 724 O BASN A 26 -10.480 11.043 2.177 0.80 0.00 O ATOM 725 CB AASN A 26 -11.644 7.996 3.507 0.20 0.00 C ATOM 726 CB BASN A 26 -11.133 8.544 3.738 0.80 0.00 C ATOM 727 CG AASN A 26 -13.145 7.997 3.727 0.20 0.00 C ATOM 728 CG BASN A 26 -12.597 8.536 4.134 0.80 0.00 C ATOM 729 OD1AASN A 26 -13.873 8.779 3.115 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.434 9.160 3.480 0.80 0.00 O ATOM 731 ND2AASN A 26 -13.614 7.118 4.608 0.20 0.00 N ATOM 732 ND2BASN A 26 -12.914 7.828 5.212 0.80 0.00 N ATOM 0 H AASN A 26 -9.256 8.069 2.598 0.20 0.00 H new ATOM 0 H BASN A 26 -8.854 8.699 2.402 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.877 7.461 1.437 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.653 8.035 1.716 0.80 0.00 H new ATOM 0 HB2AASN A 26 -11.223 7.067 3.891 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.662 7.621 4.077 0.80 0.00 H new ATOM 0 HB3AASN A 26 -11.195 8.809 4.078 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.626 9.366 4.244 0.80 0.00 H new ATOM 0 HD21AASN A 26 -14.615 7.073 4.800 0.20 0.00 H new ATOM 0 HD21BASN A 26 -13.883 7.786 5.528 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.973 6.489 5.092 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.189 7.326 5.724 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.657 9.738 0.828 0.20 0.00 N ATOM 746 N BHIS A 27 -12.263 10.318 1.011 0.80 0.00 N ATOM 747 CA AHIS A 27 -13.048 11.047 0.323 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.630 11.646 0.534 0.80 0.00 C ATOM 749 C AHIS A 27 -13.981 11.752 1.304 0.20 0.00 C ATOM 750 C BHIS A 27 -13.383 12.422 1.611 0.80 0.00 C ATOM 751 O AHIS A 27 -14.854 12.522 0.901 0.20 0.00 O ATOM 752 O BHIS A 27 -13.474 13.648 1.558 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.732 10.908 -1.038 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.486 11.540 -0.728 0.80 0.00 C ATOM 755 CG AHIS A 27 -15.017 10.140 -0.988 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.666 10.631 -0.576 0.80 0.00 C ATOM 757 ND1AHIS A 27 -16.268 10.529 -0.651 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.889 11.057 -0.105 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.106 8.801 -1.309 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.806 9.311 -0.838 0.80 0.00 C ATOM 761 CE1AHIS A 27 -17.082 9.430 -0.774 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.730 10.039 -0.081 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.356 8.401 -1.172 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -16.097 8.967 -0.522 0.80 0.00 N ATOM 0 H AHIS A 27 -13.288 8.980 0.567 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.877 9.570 0.689 0.80 0.00 H new ATOM 0 HA AHIS A 27 -12.147 11.649 0.209 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.713 12.186 0.297 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.928 11.902 -1.440 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.837 12.534 -1.004 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -13.050 10.414 -1.729 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.865 11.182 -1.549 0.80 0.00 H new ATOM 0 HD1AHIS A 27 -16.553 11.464 -0.360 0.20 0.00 H new ATOM 0 HD1BHIS A 27 -16.110 12.011 0.181 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.282 8.178 -1.623 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -14.044 8.651 -1.224 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -18.144 9.410 -0.577 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.759 10.077 0.244 0.80 0.00 H new ATOM 779 N AILE A 28 -13.788 11.485 2.591 0.20 0.00 N ATOM 780 N BILE A 28 -13.922 11.698 2.587 0.80 0.00 N ATOM 781 CA AILE A 28 -14.613 12.094 3.628 0.20 0.00 C ATOM 782 CA BILE A 28 -14.667 12.317 3.675 0.80 0.00 C ATOM 783 C AILE A 28 -13.760 12.904 4.598 0.20 0.00 C ATOM 784 C BILE A 28 -13.729 12.811 4.771 0.80 0.00 C ATOM 785 O AILE A 28 -14.163 13.979 5.048 0.20 0.00 O ATOM 786 O BILE A 28 -13.843 13.946 5.237 0.80 0.00 O ATOM 787 CB AILE A 28 -15.401 11.031 4.417 0.20 0.00 C ATOM 788 CB BILE A 28 -15.686 11.338 4.288 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.397 10.319 3.500 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.696 10.890 3.231 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.118 11.672 5.595 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.397 11.985 5.468 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.597 11.166 3.140 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.749 9.944 3.764 0.80 0.00 C ATOM 0 H AILE A 28 -13.069 10.852 2.941 0.20 0.00 H new ATOM 0 H BILE A 28 -13.856 10.682 2.646 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.318 12.756 3.126 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.203 13.165 3.249 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.701 10.291 4.803 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.152 10.458 4.648 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.886 10.019 2.585 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.187 11.769 2.814 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.739 9.406 3.988 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.163 10.404 2.414 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.671 10.909 6.143 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.114 11.281 5.891 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.387 12.137 6.257 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.665 12.259 6.228 0.80 0.00 H new ATOM 0 HG23AILE A 28 -16.811 12.430 5.230 0.20 0.00 H new ATOM 0 HG23BILE A 28 -16.922 12.879 5.131 0.80 0.00 H new ATOM 0 HD11AILE A 28 -18.261 10.598 2.488 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.431 9.668 2.960 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.131 11.444 4.048 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.268 9.048 4.156 0.80 0.00 H new ATOM 0 HD13AILE A 28 -17.265 12.067 2.624 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.308 10.434 4.561 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.580 12.385 4.921 0.20 0.00 N ATOM 818 N BTHR A 29 -12.801 11.952 5.180 0.80 0.00 N ATOM 819 CA ATHR A 29 -11.672 13.061 5.837 0.20 0.00 C ATOM 820 CA BTHR A 29 -11.843 12.299 6.221 0.80 0.00 C ATOM 821 C ATHR A 29 -10.268 13.154 5.250 0.20 0.00 C ATOM 822 C BTHR A 29 -10.559 12.862 5.623 0.80 0.00 C ATOM 823 O ATHR A 29 -9.286 13.266 5.982 0.20 0.00 O ATOM 824 O BTHR A 29 -9.705 13.385 6.337 0.80 0.00 O ATOM 825 CB ATHR A 29 -11.600 12.334 7.194 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.497 11.081 7.097 0.80 0.00 C ATOM 827 OG1ATHR A 29 -11.819 10.931 7.010 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.475 9.893 6.297 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.635 12.892 8.161 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.505 10.919 8.224 0.80 0.00 C ATOM 0 H ATHR A 29 -12.231 11.497 4.561 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.693 11.010 4.805 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.067 14.065 5.990 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.315 13.060 6.842 0.80 0.00 H new ATOM 0 HB ATHR A 29 -10.608 12.494 7.616 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.512 11.245 7.533 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -11.770 10.476 7.877 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.253 9.123 6.861 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.566 12.364 9.112 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.239 10.052 8.828 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -12.448 13.954 8.321 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.499 11.812 8.849 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.633 12.758 7.743 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.501 10.776 7.804 0.80 0.00 H new ATOM 845 N AASN A 30 -10.181 13.109 3.925 0.20 0.00 N ATOM 846 N BASN A 30 -10.428 12.750 4.304 0.80 0.00 N ATOM 847 CA AASN A 30 -8.896 13.190 3.239 0.20 0.00 C ATOM 848 CA BASN A 30 -9.247 13.246 3.607 0.80 0.00 C ATOM 849 C AASN A 30 -7.854 12.318 3.933 0.20 0.00 C ATOM 850 C BASN A 30 -7.975 12.631 4.184 0.80 0.00 C ATOM 851 O AASN A 30 -6.708 12.727 4.117 0.20 0.00 O ATOM 852 O BASN A 30 -7.054 13.344 4.579 0.80 0.00 O ATOM 853 CB AASN A 30 -8.412 14.641 3.189 0.20 0.00 C ATOM 854 CB BASN A 30 -9.178 14.772 3.703 0.80 0.00 C ATOM 855 CG AASN A 30 -7.624 14.943 1.930 0.20 0.00 C ATOM 856 CG BASN A 30 -8.413 15.390 2.549 0.80 0.00 C ATOM 857 OD1AASN A 30 -7.998 15.815 1.145 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.975 16.135 1.746 0.80 0.00 O ATOM 859 ND2AASN A 30 -6.527 14.222 1.731 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.125 15.081 2.461 0.80 0.00 N ATOM 0 H AASN A 30 -10.985 13.017 3.304 0.20 0.00 H new ATOM 0 H BASN A 30 -11.126 12.320 3.697 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.031 12.824 2.221 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.325 12.956 2.559 0.80 0.00 H new ATOM 0 HB2AASN A 30 -9.271 15.310 3.246 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.189 15.178 3.724 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.791 14.844 4.061 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.702 15.053 4.643 0.80 0.00 H new ATOM 0 HD21AASN A 30 -5.956 14.381 0.901 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.559 15.466 1.705 0.80 0.00 H new ATOM 0 HD22AASN A 30 -6.255 13.510 2.408 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.702 14.459 3.150 0.80 0.00 H new ATOM 873 N AALA A 31 -8.261 11.112 4.317 0.20 0.00 N ATOM 874 N BALA A 31 -7.936 11.303 4.229 0.80 0.00 N ATOM 875 CA AALA A 31 -7.363 10.179 4.988 0.20 0.00 C ATOM 876 CA BALA A 31 -6.777 10.591 4.755 0.80 0.00 C ATOM 877 C AALA A 31 -6.669 9.267 3.982 0.20 0.00 C ATOM 878 C BALA A 31 -6.636 9.218 4.107 0.80 0.00 C ATOM 879 O AALA A 31 -7.184 9.023 2.891 0.20 0.00 O ATOM 880 O BALA A 31 -7.628 8.597 3.723 0.80 0.00 O ATOM 881 CB AALA A 31 -8.127 9.355 6.012 0.20 0.00 C ATOM 882 CB BALA A 31 -6.883 10.455 6.267 0.80 0.00 C ATOM 0 H AALA A 31 -9.207 10.758 4.175 0.20 0.00 H new ATOM 0 H BALA A 31 -8.693 10.699 3.908 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.596 10.757 5.504 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.885 11.170 4.515 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.444 8.663 6.505 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.011 9.922 6.646 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.571 10.018 6.755 0.20 0.00 H new ATOM 0 HB2BALA A 31 -6.927 11.446 6.719 0.80 0.00 H new ATOM 0 HB3AALA A 31 -8.915 8.792 5.511 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.786 9.900 6.520 0.80 0.00 H new ATOM 893 N ASER A 32 -5.496 8.766 4.357 0.20 0.00 N ATOM 894 N BSER A 32 -5.398 8.749 3.987 0.80 0.00 N ATOM 895 CA ASER A 32 -4.729 7.883 3.487 0.20 0.00 C ATOM 896 CA BSER A 32 -5.128 7.452 3.381 0.80 0.00 C ATOM 897 C ASER A 32 -3.934 6.868 4.304 0.20 0.00 C ATOM 898 C BSER A 32 -4.595 6.468 4.419 0.80 0.00 C ATOM 899 O ASER A 32 -2.866 7.181 4.830 0.20 0.00 O ATOM 900 O BSER A 32 -4.052 6.869 5.448 0.80 0.00 O ATOM 901 CB ASER A 32 -3.780 8.699 2.605 0.20 0.00 C ATOM 902 CB BSER A 32 -4.120 7.599 2.239 0.80 0.00 C ATOM 903 OG ASER A 32 -3.880 8.303 1.248 0.20 0.00 O ATOM 904 OG BSER A 32 -3.956 6.375 1.544 0.80 0.00 O ATOM 0 H ASER A 32 -5.057 8.957 5.257 0.20 0.00 H new ATOM 0 H BSER A 32 -4.566 9.249 4.302 0.80 0.00 H new ATOM 0 HA ASER A 32 -5.431 7.342 2.852 0.20 0.00 H new ATOM 0 HA BSER A 32 -6.065 7.063 2.983 0.80 0.00 H new ATOM 0 HB2ASER A 32 -4.015 9.759 2.696 0.20 0.00 H new ATOM 0 HB2BSER A 32 -4.459 8.371 1.548 0.80 0.00 H new ATOM 0 HB3ASER A 32 -2.755 8.569 2.951 0.20 0.00 H new ATOM 0 HB3BSER A 32 -3.160 7.926 2.637 0.80 0.00 H new ATOM 0 HG ASER A 32 -3.266 8.839 0.705 0.20 0.00 H new ATOM 0 HG BSER A 32 -3.785 6.557 0.596 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.464 5.654 4.405 0.20 0.00 N ATOM 916 N BGLN A 33 -4.755 5.178 4.140 0.80 0.00 N ATOM 917 CA AGLN A 33 -3.806 4.595 5.160 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.293 4.137 5.048 0.80 0.00 C ATOM 919 C AGLN A 33 -3.689 3.324 4.324 0.20 0.00 C ATOM 920 C BGLN A 33 -3.947 2.862 4.287 0.80 0.00 C ATOM 921 O AGLN A 33 -4.454 3.115 3.383 0.20 0.00 O ATOM 922 O BGLN A 33 -4.695 2.429 3.411 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.575 4.304 6.449 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.358 3.840 6.105 0.80 0.00 C ATOM 925 CG AGLN A 33 -6.021 3.898 6.217 0.20 0.00 C ATOM 926 CG BGLN A 33 -4.917 2.828 7.149 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.625 3.175 7.405 0.20 0.00 C ATOM 928 CD BGLN A 33 -5.934 2.652 8.259 0.80 0.00 C ATOM 929 OE1AGLN A 33 -6.067 3.191 8.502 0.20 0.00 O ATOM 930 OE1BGLN A 33 -5.797 3.227 9.340 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.771 2.539 7.192 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.965 1.857 7.998 0.80 0.00 N ATOM 0 H AGLN A 33 -5.347 5.379 3.974 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.201 4.830 3.292 0.80 0.00 H new ATOM 0 HA AGLN A 33 -2.802 4.934 5.415 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.392 4.499 5.543 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -4.066 3.509 6.994 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.630 4.770 6.605 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.553 5.190 7.083 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.256 3.470 5.610 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.613 4.787 5.999 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.742 1.867 6.666 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.077 3.255 5.339 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -3.967 3.146 7.579 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -8.197 2.553 6.266 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -7.040 1.400 7.089 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -8.225 2.037 7.955 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.682 1.703 8.706 0.80 0.00 H new ATOM 949 N APHE A 34 -2.727 2.476 4.675 0.20 0.00 N ATOM 950 N BPHE A 34 -2.809 2.266 4.625 0.80 0.00 N ATOM 951 CA APHE A 34 -2.509 1.225 3.959 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.364 1.040 3.971 0.80 0.00 C ATOM 953 C APHE A 34 -3.435 0.131 4.480 0.20 0.00 C ATOM 954 C BPHE A 34 -3.108 -0.172 4.523 0.80 0.00 C ATOM 955 O APHE A 34 -3.787 -0.797 3.753 0.20 0.00 O ATOM 956 O BPHE A 34 -3.380 -1.129 3.798 0.80 0.00 O ATOM 957 CB APHE A 34 -1.051 0.784 4.091 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.857 0.857 4.157 0.80 0.00 C ATOM 959 CG APHE A 34 -0.067 1.898 3.884 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.036 1.939 3.512 0.80 0.00 C ATOM 961 CD1APHE A 34 0.745 2.326 4.924 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.850 2.694 4.264 0.80 0.00 C ATOM 963 CD2APHE A 34 0.050 2.520 2.650 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.151 2.198 2.156 0.80 0.00 C ATOM 965 CE1APHE A 34 1.652 3.351 4.737 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.605 3.690 3.673 0.80 0.00 C ATOM 967 CE2APHE A 34 0.956 3.545 2.458 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.602 3.192 1.561 0.80 0.00 C ATOM 969 CZ APHE A 34 1.759 3.962 3.502 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.481 3.940 2.320 0.80 0.00 C ATOM 0 H APHE A 34 -2.085 2.633 5.452 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.178 2.611 5.348 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.735 1.394 2.906 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.584 1.124 2.907 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.898 0.354 5.081 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.632 0.828 5.223 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.852 -0.005 3.366 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.562 -0.107 3.743 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.667 1.852 5.891 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.952 2.502 5.322 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.575 2.199 1.829 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.837 1.617 1.557 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.277 3.675 5.556 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.292 4.273 4.269 0.80 0.00 H new ATOM 0 HE2APHE A 34 1.037 4.020 1.492 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.503 3.384 0.503 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.468 4.763 3.353 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.070 4.718 1.857 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.821 0.245 5.747 0.20 0.00 N ATOM 990 N BGLU A 35 -3.432 -0.124 5.810 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.704 -0.736 6.368 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.141 -1.220 6.461 0.80 0.00 C ATOM 993 C AGLU A 35 -6.116 -0.635 5.798 0.20 0.00 C ATOM 994 C BGLU A 35 -5.613 -1.231 6.053 0.80 0.00 C ATOM 995 O AGLU A 35 -6.713 0.441 5.778 0.20 0.00 O ATOM 996 O BGLU A 35 -6.272 -0.192 6.041 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.738 -0.536 7.884 0.20 0.00 C ATOM 998 CB BGLU A 35 -4.025 -1.103 7.981 0.80 0.00 C ATOM 999 CG AGLU A 35 -5.052 -1.805 8.659 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.590 -1.026 8.477 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.877 -2.762 8.711 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.170 -2.269 9.239 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -3.975 -3.853 8.113 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -1.829 -2.144 10.435 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -2.860 -2.419 9.350 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -2.181 -3.365 8.641 0.80 0.00 O ATOM 0 H AGLU A 35 -3.536 1.006 6.363 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.215 0.662 6.423 0.80 0.00 H new ATOM 0 HA AGLU A 35 -4.313 -1.730 6.149 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.683 -2.156 6.141 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.773 -0.149 8.213 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.563 -0.214 8.311 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.484 0.221 8.125 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.514 -1.961 8.442 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.347 -1.542 9.675 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.923 -0.882 7.627 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -5.904 -2.306 8.199 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.478 -0.154 9.121 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.642 -1.764 5.336 0.20 0.00 N ATOM 1020 N BARG A 36 -6.118 -2.415 5.720 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.983 -1.803 4.762 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.509 -2.563 5.309 0.80 0.00 C ATOM 1023 C AARG A 36 -9.016 -1.289 5.762 0.20 0.00 C ATOM 1024 C BARG A 36 -8.452 -2.018 6.378 0.80 0.00 C ATOM 1025 O AARG A 36 -8.993 -1.629 6.945 0.20 0.00 O ATOM 1026 O BARG A 36 -8.588 -2.578 7.466 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.337 -3.227 4.334 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.828 -4.032 5.035 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.726 -3.358 3.735 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.266 -4.274 4.602 0.80 0.00 C ATOM 1031 CD AARG A 36 -10.357 -4.699 4.074 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.610 -5.754 4.614 0.80 0.00 C ATOM 1033 NE AARG A 36 -9.576 -5.818 3.553 0.20 0.00 N ATOM 1034 NE BARG A 36 -9.208 -6.422 3.380 0.80 0.00 N ATOM 1035 CZ AARG A 36 -9.649 -6.244 2.297 0.20 0.00 C ATOM 1036 CZ BARG A 36 -9.716 -7.580 2.971 0.80 0.00 C ATOM 1037 NH1AARG A 36 -10.464 -5.650 1.438 0.20 0.00 N ATOM 1038 NH1BARG A 36 -10.640 -8.194 3.696 0.80 0.00 N ATOM 1039 NH2AARG A 36 -8.905 -7.269 1.898 0.20 0.00 N ATOM 1040 NH2BARG A 36 -9.298 -8.124 1.835 0.80 0.00 N ATOM 0 H AARG A 36 -6.161 -2.664 5.347 0.20 0.00 H new ATOM 0 H BARG A 36 -5.585 -3.285 5.727 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.995 -1.155 3.886 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.654 -1.990 4.393 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.603 -3.571 3.605 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.157 -4.402 4.260 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.260 -3.886 5.199 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.626 -4.613 5.935 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.360 -2.553 4.106 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.942 -3.737 5.267 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.668 -3.246 2.652 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.418 -3.872 3.600 0.80 0.00 H new ATOM 0 HD2AARG A 36 -10.449 -4.793 5.156 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.119 -6.233 5.461 0.80 0.00 H new ATOM 0 HD3AARG A 36 -11.366 -4.739 3.664 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.684 -5.875 4.758 0.80 0.00 H new ATOM 0 HE AARG A 36 -8.939 -6.299 4.189 0.20 0.00 H new ATOM 0 HE BARG A 36 -8.498 -5.975 2.800 0.80 0.00 H new ATOM 0 HH11AARG A 36 -11.038 -4.863 1.740 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.963 -7.778 4.570 0.80 0.00 H new ATOM 0 HH12AARG A 36 -10.518 -5.980 0.474 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.029 -9.083 3.380 0.80 0.00 H new ATOM 0 HH21AARG A 36 -8.277 -7.730 2.556 0.20 0.00 H new ATOM 0 HH21BARG A 36 -8.587 -7.653 1.276 0.80 0.00 H new ATOM 0 HH22AARG A 36 -8.962 -7.595 0.933 0.20 0.00 H new ATOM 0 HH22BARG A 36 -9.688 -9.013 1.521 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.942 -0.451 5.276 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.118 -0.896 6.064 0.80 0.00 N ATOM 1069 CA APRO A 37 -11.003 0.126 6.110 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.060 -0.252 6.983 0.80 0.00 C ATOM 1071 C APRO A 37 -12.029 -0.913 6.544 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.331 -1.069 7.180 0.80 0.00 C ATOM 1073 O APRO A 37 -12.497 -1.715 5.738 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.615 -1.988 6.412 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.649 1.165 5.189 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.379 1.075 6.290 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.370 0.677 3.810 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.135 0.815 4.843 0.80 0.00 C ATOM 1079 CD APRO A 37 -10.030 -0.004 3.875 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.006 -0.175 4.786 0.80 0.00 C ATOM 0 HA APRO A 37 -10.612 0.542 7.038 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.640 -0.138 7.982 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.721 1.243 5.372 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.411 1.377 6.469 0.80 0.00 H new ATOM 0 HB3APRO A 37 -11.225 2.156 5.351 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.742 1.878 6.661 0.80 0.00 H new ATOM 0 HG2APRO A 37 -12.144 -0.015 3.477 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.028 0.417 4.362 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.354 1.503 3.099 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.874 1.735 4.320 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.971 -0.843 3.181 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.105 -0.849 3.935 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.220 0.679 3.619 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.041 0.322 4.688 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.375 -0.894 7.828 0.20 0.00 N ATOM 1096 N BSER A 38 -12.094 -0.730 8.215 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.344 -1.838 8.374 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.335 -1.435 8.514 0.80 0.00 C ATOM 1099 C ASER A 38 -14.746 -1.539 7.851 0.20 0.00 C ATOM 1100 C BSER A 38 -14.455 -0.451 8.835 0.80 0.00 C ATOM 1101 O ASER A 38 -15.390 -2.396 7.246 0.20 0.00 O ATOM 1102 O BSER A 38 -14.215 0.737 9.035 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.335 -1.784 9.902 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.129 -2.394 9.689 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.693 -0.495 10.370 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.258 -3.233 9.865 0.80 0.00 O ATOM 0 H ASER A 38 -11.999 -0.235 8.510 0.20 0.00 H new ATOM 0 H BSER A 38 -11.874 0.029 8.860 0.80 0.00 H new ATOM 0 HA ASER A 38 -13.060 -2.840 8.052 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.622 -2.008 7.632 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.030 -2.524 10.299 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.242 -3.004 9.514 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.344 -2.046 10.272 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.949 -1.824 10.601 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.681 -0.488 11.350 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.102 -3.838 10.620 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.212 -0.317 8.088 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.684 -0.958 8.882 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.533 0.073 7.636 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.825 -0.113 9.179 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.604 -0.189 8.677 0.20 0.00 C ATOM 1122 C BGLY A 39 -17.953 -0.873 9.850 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.958 -1.338 8.933 0.20 0.00 O ATOM 1124 O BGLY A 39 -17.738 -2.003 10.282 0.80 0.00 O ATOM 0 H AGLY A 39 -14.697 0.410 8.585 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.909 -1.940 8.719 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.529 1.133 7.383 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.508 0.705 9.825 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.777 -0.471 6.724 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -17.192 0.334 8.255 0.80 0.00 H new TER 1131 GLY A 39