USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN A: amide:sc= -0.709 K(o=-1.3,f=-13!) USER MOD Set 1.2: A 29 THR OG1A: rot -170:sc= 0.202 USER MOD Set 1.3: A 29 THR OG1B: rot 180:sc= -0.842 USER MOD Set 2.1: A 16 SER OG A: rot -132:sc= 1.31 USER MOD Set 2.2: A 16 SER OG B: rot 180:sc= 0 USER MOD Set 2.3: A 19 SER OG A: rot 180:sc= 1.1 USER MOD Set 3.1: A 13 LYS NZ B:NH3+ -179:sc=-0.00126 (180deg=-0.00263) USER MOD Set 3.2: A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 5 SER OG A: rot 40:sc= 1.09 USER MOD Single : A 5 SER OG B: rot 180:sc= 0 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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 18 ASN A: amide:sc= -0.254 X(o=-0.25,f=-0.19) USER MOD Single : A 18 ASN B: amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 19 SER OG B: rot -100:sc= -0.899 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 26 ASN B: amide:sc= 1.04 K(o=1,f=-9.5!) USER MOD Single : A 27 HIS A: no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 27 HIS B: no HD1:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.64 K(o=0.64,f=-0.04) USER MOD Single : A 32 SER OG A: rot 6:sc= -0.0328 USER MOD Single : A 32 SER OG B: rot 180:sc= 0 USER MOD Single : A 33 GLN A: amide:sc= -1.46 K(o=-1.5,f=-4.5!) USER MOD Single : A 33 GLN B:FLIP amide:sc= 0.538 F(o=-0.017,f=0.54) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.013 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -12.107 -7.192 -3.761 0.20 0.00 N ATOM 2 N BSER A 5 -12.981 -6.864 -4.278 0.80 0.00 N ATOM 3 CA ASER A 5 -12.140 -5.773 -3.428 0.20 0.00 C ATOM 4 CA BSER A 5 -12.952 -5.408 -4.201 0.80 0.00 C ATOM 5 C ASER A 5 -13.483 -5.390 -2.814 0.20 0.00 C ATOM 6 C BSER A 5 -14.209 -4.875 -3.518 0.80 0.00 C ATOM 7 O ASER A 5 -14.477 -5.224 -3.522 0.20 0.00 O ATOM 8 O BSER A 5 -14.851 -3.948 -4.010 0.80 0.00 O ATOM 9 CB ASER A 5 -11.878 -4.928 -4.676 0.20 0.00 C ATOM 10 CB BSER A 5 -12.825 -4.804 -5.600 0.80 0.00 C ATOM 11 OG ASER A 5 -12.903 -5.107 -5.639 0.20 0.00 O ATOM 12 OG BSER A 5 -11.474 -4.787 -6.029 0.80 0.00 O ATOM 0 HA ASER A 5 -11.356 -5.579 -2.695 0.20 0.00 H new ATOM 0 HA BSER A 5 -12.085 -5.118 -3.608 0.80 0.00 H new ATOM 0 HB2ASER A 5 -11.815 -3.876 -4.399 0.20 0.00 H new ATOM 0 HB2BSER A 5 -13.426 -5.380 -6.304 0.80 0.00 H new ATOM 0 HB3ASER A 5 -10.916 -5.202 -5.109 0.20 0.00 H new ATOM 0 HB3BSER A 5 -13.222 -3.789 -5.598 0.80 0.00 H new ATOM 0 HG ASER A 5 -13.771 -5.156 -5.187 0.20 0.00 H new ATOM 0 HG BSER A 5 -11.421 -4.398 -6.927 0.80 0.00 H new ATOM 23 N ALYS A 6 -13.506 -5.252 -1.494 0.20 0.00 N ATOM 24 N BLYS A 6 -14.551 -5.468 -2.380 0.80 0.00 N ATOM 25 CA ALYS A 6 -14.726 -4.888 -0.782 0.20 0.00 C ATOM 26 CA BLYS A 6 -15.728 -5.056 -1.626 0.80 0.00 C ATOM 27 C ALYS A 6 -14.449 -3.792 0.244 0.20 0.00 C ATOM 28 C BLYS A 6 -15.355 -4.057 -0.536 0.80 0.00 C ATOM 29 O ALYS A 6 -13.795 -4.029 1.259 0.20 0.00 O ATOM 30 O BLYS A 6 -15.522 -4.330 0.654 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.320 -6.114 -0.086 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.415 -6.275 -1.003 0.80 0.00 C ATOM 33 CG ALYS A 6 -16.135 -7.003 -1.012 0.20 0.00 C ATOM 34 CG BLYS A 6 -16.541 -7.452 -1.952 0.80 0.00 C ATOM 35 CD ALYS A 6 -16.689 -8.212 -0.279 0.20 0.00 C ATOM 36 CD BLYS A 6 -17.150 -8.662 -1.263 0.80 0.00 C ATOM 37 CE ALYS A 6 -16.339 -9.506 -0.996 0.20 0.00 C ATOM 38 CE BLYS A 6 -16.246 -9.187 -0.159 0.80 0.00 C ATOM 39 NZ ALYS A 6 -16.421 -10.684 -0.088 0.20 0.00 N ATOM 40 NZ BLYS A 6 -15.868 -10.610 -0.381 0.80 0.00 N ATOM 0 H ALYS A 6 -12.693 -5.387 -0.894 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.029 -6.237 -1.959 0.80 0.00 H new ATOM 0 HA ALYS A 6 -15.443 -4.509 -1.510 0.20 0.00 H new ATOM 0 HA BLYS A 6 -16.418 -4.572 -2.317 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -14.512 -6.701 0.350 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -15.854 -6.587 -0.122 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -15.953 -5.783 0.737 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -17.409 -5.986 -0.661 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -16.956 -6.428 -1.440 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -17.158 -7.169 -2.804 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -15.511 -7.334 -1.842 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -15.557 -7.712 -2.343 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -16.291 -8.238 0.735 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -18.120 -8.394 -0.844 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -17.772 -8.123 -0.194 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -17.326 -9.449 -1.996 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -17.016 -9.649 -1.838 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -15.345 -8.576 -0.106 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -15.332 -9.433 -1.406 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -16.753 -9.091 0.801 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -16.175 -11.546 -0.615 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -15.252 -10.930 0.393 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -15.757 -10.560 0.702 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -16.726 -11.197 -0.406 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -17.389 -10.769 0.283 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -15.362 -10.698 -1.285 0.80 0.00 H new ATOM 67 N ALEU A 7 -14.956 -2.594 -0.028 0.20 0.00 N ATOM 68 N BLEU A 7 -14.849 -2.900 -0.948 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.766 -1.461 0.873 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.452 -1.859 -0.006 0.80 0.00 C ATOM 71 C ALEU A 7 -16.070 -0.693 1.063 0.20 0.00 C ATOM 72 C BLEU A 7 -15.668 -1.079 0.487 0.80 0.00 C ATOM 73 O ALEU A 7 -16.914 -0.623 0.169 0.20 0.00 O ATOM 74 O BLEU A 7 -16.699 -1.004 -0.178 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.683 -0.528 0.328 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.453 -0.906 -0.661 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.669 -1.160 -0.624 0.20 0.00 C ATOM 78 CG BLEU A 7 -11.973 -1.248 -0.469 0.80 0.00 C ATOM 79 CD1ALEU A 7 -11.793 -0.089 -1.258 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.702 -2.689 -0.871 0.80 0.00 C ATOM 81 CD2ALEU A 7 -11.816 -2.186 0.107 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.097 -0.294 -1.267 0.80 0.00 C ATOM 0 H ALEU A 7 -15.501 -2.382 -0.864 0.20 0.00 H new ATOM 0 H BLEU A 7 -14.704 -2.659 -1.928 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.449 -1.846 1.842 0.20 0.00 H new ATOM 0 HA BLEU A 7 -13.979 -2.339 0.851 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.170 0.298 -0.189 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.662 -0.872 -1.730 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.141 -0.101 1.172 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.627 0.096 -0.270 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.214 -1.671 -1.417 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.728 -1.136 0.587 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.077 -0.557 -1.933 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.645 -2.914 -0.728 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.417 0.607 -1.818 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.302 -3.358 -0.254 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.257 0.451 -0.478 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -11.964 -2.830 -1.920 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.100 -2.625 -0.588 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.049 -0.552 -1.118 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.280 -1.699 0.922 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.344 -0.373 -2.326 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.456 -2.970 0.512 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.270 0.728 -0.929 0.80 0.00 H new ATOM 105 N APRO A 8 -16.238 -0.100 2.253 0.20 0.00 N ATOM 106 N BPRO A 8 -15.542 -0.483 1.682 0.80 0.00 N ATOM 107 CA APRO A 8 -17.435 0.678 2.588 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.618 0.304 2.291 0.80 0.00 C ATOM 109 C APRO A 8 -17.508 1.991 1.814 0.20 0.00 C ATOM 110 C BPRO A 8 -16.866 1.616 1.552 0.80 0.00 C ATOM 111 O APRO A 8 -16.572 2.383 1.118 0.20 0.00 O ATOM 112 O BPRO A 8 -16.069 2.049 0.722 0.80 0.00 O ATOM 113 CB APRO A 8 -17.276 0.949 4.085 0.20 0.00 C ATOM 114 CB BPRO A 8 -16.102 0.577 3.706 0.80 0.00 C ATOM 115 CG APRO A 8 -15.807 0.885 4.328 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.619 0.502 3.589 0.80 0.00 C ATOM 117 CD APRO A 8 -15.272 -0.141 3.365 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.339 -0.530 2.531 0.80 0.00 C ATOM 0 HA APRO A 8 -18.351 0.145 2.333 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.572 -0.222 2.265 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.680 1.925 4.356 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.422 1.556 4.062 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.808 0.207 4.680 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.481 -0.159 4.415 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.341 1.856 4.162 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -14.200 1.469 3.311 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.594 0.601 5.359 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -14.166 0.219 4.539 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.264 0.107 3.032 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.438 -0.291 1.965 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.223 -1.131 3.819 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.191 -1.519 2.964 0.80 0.00 H new ATOM 133 N APRO A 9 -18.650 2.686 1.934 0.20 0.00 N ATOM 134 N BPRO A 9 -18.001 2.264 1.861 0.80 0.00 N ATOM 135 CA APRO A 9 -18.872 3.965 1.253 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.379 3.535 1.236 0.80 0.00 C ATOM 137 C APRO A 9 -18.012 5.085 1.828 0.20 0.00 C ATOM 138 C BPRO A 9 -17.484 4.686 1.680 0.80 0.00 C ATOM 139 O APRO A 9 -18.413 5.766 2.772 0.20 0.00 O ATOM 140 O BPRO A 9 -17.041 4.737 2.827 0.80 0.00 O ATOM 141 CB APRO A 9 -20.357 4.247 1.505 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.813 3.754 1.724 0.80 0.00 C ATOM 143 CG APRO A 9 -20.674 3.508 2.759 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.899 2.998 3.004 0.80 0.00 C ATOM 145 CD APRO A 9 -19.808 2.279 2.747 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.998 1.806 2.840 0.80 0.00 C ATOM 0 HA APRO A 9 -18.606 3.917 0.197 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.283 3.502 0.151 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.544 5.315 1.617 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -20.022 4.813 1.875 0.80 0.00 H new ATOM 0 HB3APRO A 9 -20.972 3.901 0.675 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.538 3.387 0.998 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.468 4.122 3.636 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.581 3.615 3.844 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.730 3.241 2.798 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.924 2.688 3.206 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.510 1.988 3.754 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.533 1.521 3.784 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.327 1.426 2.309 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.545 0.935 2.479 0.80 0.00 H new ATOM 161 N AGLY A 10 -16.829 5.270 1.253 0.20 0.00 N ATOM 162 N BGLY A 10 -17.221 5.613 0.763 0.80 0.00 N ATOM 163 CA AGLY A 10 -15.929 6.310 1.723 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.380 6.753 1.079 0.80 0.00 C ATOM 165 C AGLY A 10 -14.475 5.884 1.675 0.20 0.00 C ATOM 166 C BGLY A 10 -14.925 6.515 0.726 0.80 0.00 C ATOM 167 O AGLY A 10 -13.692 6.238 2.555 0.20 0.00 O ATOM 168 O BGLY A 10 -14.200 7.452 0.391 0.80 0.00 O ATOM 0 H AGLY A 10 -16.476 4.719 0.470 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.576 5.594 -0.193 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.063 7.204 1.114 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.743 7.629 0.541 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.192 6.579 2.746 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.461 6.977 2.143 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.116 5.126 0.646 0.20 0.00 N ATOM 176 N BTRP A 11 -14.497 5.260 0.801 0.80 0.00 N ATOM 177 CA ATRP A 11 -12.746 4.651 0.490 0.20 0.00 C ATOM 178 CA BTRP A 11 -13.118 4.905 0.487 0.80 0.00 C ATOM 179 C ATRP A 11 -12.431 4.374 -0.977 0.20 0.00 C ATOM 180 C BTRP A 11 -12.961 4.588 -0.996 0.80 0.00 C ATOM 181 O ATRP A 11 -13.122 3.592 -1.632 0.20 0.00 O ATOM 182 O BTRP A 11 -13.900 4.126 -1.643 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.526 3.386 1.319 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.678 3.705 1.327 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.140 3.665 2.740 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.690 3.973 2.802 0.80 0.00 C ATOM 187 CD1ATRP A 11 -12.905 3.463 3.852 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.763 3.891 3.641 0.80 0.00 C ATOM 189 CD2ATRP A 11 -10.895 4.202 3.199 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.578 4.372 3.608 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.211 3.840 4.975 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.386 4.213 4.921 0.80 0.00 N ATOM 193 CE2ATRP A 11 -10.975 4.298 4.602 0.20 0.00 C ATOM 194 CE2BTRP A 11 -12.049 4.510 4.928 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.720 4.610 2.562 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.227 4.622 3.347 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -9.925 4.786 5.376 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.218 4.890 5.980 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.679 5.094 3.332 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.404 4.999 4.391 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.786 5.177 4.727 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.902 5.129 5.695 0.80 0.00 C ATOM 0 H ATRP A 11 -14.753 4.827 -0.092 0.20 0.00 H new ATOM 0 H BTRP A 11 -15.084 4.472 1.076 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.074 5.431 0.846 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.485 5.760 0.725 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.439 2.790 1.309 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.334 2.861 1.113 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.747 2.784 0.850 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.672 3.410 1.027 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -13.909 3.065 3.849 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.763 3.613 3.342 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.559 3.788 5.932 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -14.001 4.229 5.734 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.627 4.548 1.488 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.834 4.522 2.346 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.007 4.853 6.451 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.600 4.992 6.985 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.767 5.414 2.850 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.360 5.197 4.199 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -7.953 5.557 5.300 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.233 5.424 6.490 0.80 0.00 H new ATOM 223 N AGLU A 12 -11.385 5.017 -1.485 0.20 0.00 N ATOM 224 N BGLU A 12 -11.769 4.839 -1.527 0.80 0.00 N ATOM 225 CA AGLU A 12 -10.981 4.840 -2.876 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.491 4.580 -2.935 0.80 0.00 C ATOM 227 C AGLU A 12 -9.677 4.052 -2.965 0.20 0.00 C ATOM 228 C BGLU A 12 -10.096 3.987 -3.114 0.80 0.00 C ATOM 229 O AGLU A 12 -8.704 4.359 -2.275 0.20 0.00 O ATOM 230 O BGLU A 12 -9.180 4.282 -2.348 0.80 0.00 O ATOM 231 CB AGLU A 12 -10.820 6.198 -3.559 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.616 5.871 -3.748 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.975 6.141 -5.070 0.20 0.00 C ATOM 234 CG BGLU A 12 -10.554 6.904 -3.415 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.533 7.423 -5.751 0.20 0.00 C ATOM 236 CD BGLU A 12 -10.211 7.789 -4.598 0.80 0.00 C ATOM 237 OE1AGLU A 12 -9.921 8.273 -5.072 0.20 0.00 O ATOM 238 OE1BGLU A 12 -10.396 9.020 -4.491 0.80 0.00 O ATOM 239 OE2AGLU A 12 -10.802 7.573 -6.962 0.20 0.00 O ATOM 240 OE2BGLU A 12 -9.757 7.253 -5.629 0.80 0.00 O ATOM 0 H AGLU A 12 -10.802 5.665 -0.955 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.981 5.221 -1.004 0.80 0.00 H new ATOM 0 HA AGLU A 12 -11.761 4.276 -3.388 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.223 3.858 -3.297 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -11.558 6.890 -3.152 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -11.556 5.630 -4.809 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -9.837 6.602 -3.318 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -12.601 6.306 -3.575 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -10.392 5.307 -5.460 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -10.903 7.525 -2.590 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -12.018 5.944 -5.317 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -9.653 6.396 -3.073 0.80 0.00 H new ATOM 253 N ALYS A 13 -9.663 3.037 -3.820 0.20 0.00 N ATOM 254 N BLYS A 13 -9.944 3.148 -4.134 0.80 0.00 N ATOM 255 CA ALYS A 13 -8.479 2.205 -4.003 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.663 2.511 -4.417 0.80 0.00 C ATOM 257 C ALYS A 13 -7.641 2.704 -5.176 0.20 0.00 C ATOM 258 C BLYS A 13 -7.781 3.419 -5.268 0.80 0.00 C ATOM 259 O ALYS A 13 -7.984 2.476 -6.337 0.20 0.00 O ATOM 260 O BLYS A 13 -8.227 3.964 -6.278 0.80 0.00 O ATOM 261 CB ALYS A 13 -8.885 0.748 -4.233 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.880 1.176 -5.133 0.80 0.00 C ATOM 263 CG ALYS A 13 -7.723 -0.155 -4.613 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.624 0.327 -5.230 0.80 0.00 C ATOM 265 CD ALYS A 13 -7.906 -0.745 -6.000 0.20 0.00 C ATOM 266 CD BLYS A 13 -7.907 -1.013 -5.886 0.80 0.00 C ATOM 267 CE ALYS A 13 -8.386 -2.186 -5.935 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.344 -2.050 -4.864 0.80 0.00 C ATOM 269 NZ ALYS A 13 -7.255 -3.141 -5.767 0.20 0.00 N ATOM 270 NZ BLYS A 13 -7.185 -2.621 -4.123 0.80 0.00 N ATOM 0 H ALYS A 13 -10.459 2.769 -4.399 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.693 2.894 -4.778 0.80 0.00 H new ATOM 0 HA ALYS A 13 -7.876 2.268 -3.097 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.159 2.329 -3.468 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -9.352 0.363 -3.327 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.650 0.612 -4.607 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.637 0.709 -5.021 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.257 1.369 -6.138 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -6.793 0.413 -4.578 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -6.866 0.861 -5.803 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.633 -0.960 -3.883 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.215 0.166 -4.233 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -8.625 -0.146 -6.559 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.685 -0.893 -6.640 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -6.962 -0.699 -6.543 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.013 -1.363 -6.402 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -9.083 -2.299 -5.105 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -9.038 -1.594 -4.158 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -8.933 -2.428 -6.846 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.884 -2.852 -5.368 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -7.624 -4.113 -5.727 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.523 -3.336 -3.448 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -6.602 -3.051 -6.572 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.527 -3.064 -4.796 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -6.748 -2.927 -4.885 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.695 -1.862 -3.607 0.80 0.00 H new ATOM 297 N AARG A 14 -6.540 3.381 -4.866 0.20 0.00 N ATOM 298 N BARG A 14 -6.528 3.576 -4.855 0.80 0.00 N ATOM 299 CA AARG A 14 -5.653 3.909 -5.895 0.20 0.00 C ATOM 300 CA BARG A 14 -5.584 4.417 -5.581 0.80 0.00 C ATOM 301 C AARG A 14 -4.289 3.230 -5.837 0.20 0.00 C ATOM 302 C BARG A 14 -4.320 3.639 -5.933 0.80 0.00 C ATOM 303 O AARG A 14 -3.998 2.478 -4.908 0.20 0.00 O ATOM 304 O BARG A 14 -4.058 2.575 -5.370 0.80 0.00 O ATOM 305 CB AARG A 14 -5.490 5.422 -5.730 0.20 0.00 C ATOM 306 CB BARG A 14 -5.222 5.649 -4.750 0.80 0.00 C ATOM 307 CG AARG A 14 -6.723 6.108 -5.167 0.20 0.00 C ATOM 308 CG BARG A 14 -6.280 6.741 -4.785 0.80 0.00 C ATOM 309 CD AARG A 14 -6.875 7.519 -5.718 0.20 0.00 C ATOM 310 CD BARG A 14 -5.863 7.890 -5.689 0.80 0.00 C ATOM 311 NE AARG A 14 -5.602 8.232 -5.754 0.20 0.00 N ATOM 312 NE BARG A 14 -5.468 7.426 -7.017 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.369 9.282 -6.534 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.230 8.239 -8.040 0.80 0.00 C ATOM 315 NH1AARG A 14 -6.320 9.738 -7.338 0.20 0.00 N ATOM 316 NH1BARG A 14 -5.343 9.552 -7.888 0.80 0.00 N ATOM 317 NH2AARG A 14 -4.184 9.879 -6.511 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.876 7.742 -9.217 0.80 0.00 N ATOM 0 H AARG A 14 -6.241 3.577 -3.911 0.20 0.00 H new ATOM 0 H BARG A 14 -6.143 3.132 -4.021 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.101 3.703 -6.867 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.061 4.738 -6.507 0.80 0.00 H new ATOM 0 HB2AARG A 14 -4.643 5.618 -5.073 0.20 0.00 H new ATOM 0 HB2BARG A 14 -5.061 5.344 -3.716 0.80 0.00 H new ATOM 0 HB3AARG A 14 -5.250 5.861 -6.698 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.279 6.057 -5.113 0.80 0.00 H new ATOM 0 HG2AARG A 14 -7.610 5.523 -5.411 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.224 6.324 -5.136 0.80 0.00 H new ATOM 0 HG3AARG A 14 -6.655 6.146 -4.080 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.453 7.115 -3.776 0.80 0.00 H new ATOM 0 HD2AARG A 14 -7.293 7.472 -6.724 0.20 0.00 H new ATOM 0 HD2BARG A 14 -6.688 8.596 -5.782 0.80 0.00 H new ATOM 0 HD3AARG A 14 -7.584 8.074 -5.103 0.20 0.00 H new ATOM 0 HD3BARG A 14 -5.033 8.429 -5.231 0.80 0.00 H new ATOM 0 HE AARG A 14 -4.850 7.906 -5.147 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.370 6.422 -7.167 0.80 0.00 H new ATOM 0 HH11AARG A 14 -7.232 9.282 -7.358 0.20 0.00 H new ATOM 0 HH11BARG A 14 -5.613 9.939 -6.984 0.80 0.00 H new ATOM 0 HH12AARG A 14 -6.139 10.544 -7.936 0.20 0.00 H new ATOM 0 HH12BARG A 14 -5.160 10.174 -8.675 0.80 0.00 H new ATOM 0 HH21AARG A 14 -3.450 9.532 -5.894 0.20 0.00 H new ATOM 0 HH21BARG A 14 -4.786 6.733 -9.338 0.80 0.00 H new ATOM 0 HH22AARG A 14 -4.007 10.685 -7.111 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.694 8.368 -10.001 0.80 0.00 H new ATOM 345 N AMET A 15 -3.455 3.501 -6.837 0.20 0.00 N ATOM 346 N BMET A 15 -3.541 4.175 -6.865 0.80 0.00 N ATOM 347 CA AMET A 15 -2.121 2.916 -6.900 0.20 0.00 C ATOM 348 CA BMET A 15 -2.303 3.530 -7.292 0.80 0.00 C ATOM 349 C AMET A 15 -1.055 4.004 -6.961 0.20 0.00 C ATOM 350 C BMET A 15 -1.164 4.540 -7.372 0.80 0.00 C ATOM 351 O AMET A 15 -1.281 5.079 -7.517 0.20 0.00 O ATOM 352 O BMET A 15 -1.294 5.587 -8.008 0.80 0.00 O ATOM 353 CB AMET A 15 -2.000 1.997 -8.116 0.20 0.00 C ATOM 354 CB BMET A 15 -2.498 2.851 -8.648 0.80 0.00 C ATOM 355 CG AMET A 15 -0.583 1.510 -8.371 0.20 0.00 C ATOM 356 CG BMET A 15 -1.275 2.086 -9.125 0.80 0.00 C ATOM 357 SD AMET A 15 -0.528 0.069 -9.455 0.20 0.00 S ATOM 358 SD BMET A 15 -0.486 2.855 -10.553 0.80 0.00 S ATOM 359 CE AMET A 15 0.447 0.705 -10.814 0.20 0.00 C ATOM 360 CE BMET A 15 0.592 1.533 -11.099 0.80 0.00 C ATOM 0 H AMET A 15 -3.680 4.122 -7.614 0.20 0.00 H new ATOM 0 H BMET A 15 -3.744 5.055 -7.340 0.80 0.00 H new ATOM 0 HA AMET A 15 -1.965 2.329 -5.995 0.20 0.00 H new ATOM 0 HA BMET A 15 -2.042 2.774 -6.552 0.80 0.00 H new ATOM 0 HB2AMET A 15 -2.652 1.135 -7.976 0.20 0.00 H new ATOM 0 HB2BMET A 15 -3.343 2.166 -8.584 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.358 2.527 -8.999 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.756 3.607 -9.390 0.80 0.00 H new ATOM 0 HG2AMET A 15 -0.000 2.317 -8.816 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.554 2.017 -8.310 0.80 0.00 H new ATOM 0 HG3AMET A 15 -0.111 1.263 -7.420 0.20 0.00 H new ATOM 0 HG3BMET A 15 -1.566 1.067 -9.381 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.569 -0.072 -11.569 0.20 0.00 H new ATOM 0 HE1BMET A 15 1.149 1.857 -11.978 0.80 0.00 H new ATOM 0 HE2AMET A 15 -0.060 1.563 -11.255 0.20 0.00 H new ATOM 0 HE2BMET A 15 1.289 1.279 -10.301 0.80 0.00 H new ATOM 0 HE3AMET A 15 1.426 1.012 -10.447 0.20 0.00 H new ATOM 0 HE3BMET A 15 -0.006 0.657 -11.351 0.80 0.00 H new ATOM 379 N ASER A 16 0.110 3.718 -6.386 0.20 0.00 N ATOM 380 N BSER A 16 -0.047 4.220 -6.727 0.80 0.00 N ATOM 381 CA ASER A 16 1.211 4.674 -6.372 0.20 0.00 C ATOM 382 CA BSER A 16 1.113 5.102 -6.723 0.80 0.00 C ATOM 383 C ASER A 16 1.686 4.977 -7.789 0.20 0.00 C ATOM 384 C BSER A 16 1.738 5.185 -8.113 0.80 0.00 C ATOM 385 O ASER A 16 1.744 4.088 -8.640 0.20 0.00 O ATOM 386 O BSER A 16 1.853 4.179 -8.814 0.80 0.00 O ATOM 387 CB ASER A 16 2.375 4.133 -5.537 0.20 0.00 C ATOM 388 CB BSER A 16 2.151 4.608 -5.713 0.80 0.00 C ATOM 389 OG ASER A 16 3.087 5.185 -4.913 0.20 0.00 O ATOM 390 OG BSER A 16 2.876 5.692 -5.156 0.80 0.00 O ATOM 0 H ASER A 16 0.315 2.832 -5.924 0.20 0.00 H new ATOM 0 H BSER A 16 0.079 3.356 -6.200 0.80 0.00 H new ATOM 0 HA ASER A 16 0.850 5.599 -5.923 0.20 0.00 H new ATOM 0 HA BSER A 16 0.780 6.099 -6.434 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.995 3.447 -4.779 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.654 4.052 -4.918 0.80 0.00 H new ATOM 0 HB3ASER A 16 3.049 3.562 -6.175 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.839 3.919 -6.202 0.80 0.00 H new ATOM 0 HG ASER A 16 4.048 5.058 -5.053 0.20 0.00 H new ATOM 0 HG BSER A 16 3.532 5.351 -4.513 0.80 0.00 H new ATOM 401 N AARG A 17 2.024 6.239 -8.037 0.20 0.00 N ATOM 402 N BARG A 17 2.138 6.390 -8.504 0.80 0.00 N ATOM 403 CA AARG A 17 2.493 6.659 -9.351 0.20 0.00 C ATOM 404 CA BARG A 17 2.749 6.606 -9.810 0.80 0.00 C ATOM 405 C AARG A 17 3.955 6.278 -9.556 0.20 0.00 C ATOM 406 C BARG A 17 4.270 6.578 -9.710 0.80 0.00 C ATOM 407 O AARG A 17 4.279 5.460 -10.417 0.20 0.00 O ATOM 408 O BARG A 17 4.964 7.287 -10.438 0.80 0.00 O ATOM 409 CB AARG A 17 2.321 8.171 -9.517 0.20 0.00 C ATOM 410 CB BARG A 17 2.289 7.940 -10.398 0.80 0.00 C ATOM 411 CG AARG A 17 1.000 8.568 -10.153 0.20 0.00 C ATOM 412 CG BARG A 17 0.798 8.190 -10.251 0.80 0.00 C ATOM 413 CD AARG A 17 0.961 10.053 -10.477 0.20 0.00 C ATOM 414 CD BARG A 17 0.412 9.576 -10.747 0.80 0.00 C ATOM 415 NE AARG A 17 1.999 10.432 -11.433 0.20 0.00 N ATOM 416 NE BARG A 17 1.031 9.887 -12.034 0.80 0.00 N ATOM 417 CZ AARG A 17 1.992 11.576 -12.110 0.20 0.00 C ATOM 418 CZ BARG A 17 1.133 11.117 -12.521 0.80 0.00 C ATOM 419 NH1AARG A 17 1.008 12.445 -11.938 0.20 0.00 N ATOM 420 NH1BARG A 17 0.662 12.149 -11.832 0.80 0.00 N ATOM 421 NH2AARG A 17 2.971 11.847 -12.963 0.20 0.00 N ATOM 422 NH2BARG A 17 1.709 11.322 -13.699 0.80 0.00 N ATOM 0 H AARG A 17 1.981 6.987 -7.345 0.20 0.00 H new ATOM 0 H BARG A 17 2.050 7.232 -7.935 0.80 0.00 H new ATOM 0 HA AARG A 17 1.894 6.146 -10.103 0.20 0.00 H new ATOM 0 HA BARG A 17 2.431 5.798 -10.470 0.80 0.00 H new ATOM 0 HB2AARG A 17 2.401 8.647 -8.539 0.20 0.00 H new ATOM 0 HB2BARG A 17 2.834 8.749 -9.911 0.80 0.00 H new ATOM 0 HB3AARG A 17 3.138 8.556 -10.127 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.551 7.971 -11.456 0.80 0.00 H new ATOM 0 HG2AARG A 17 0.846 7.991 -11.065 0.20 0.00 H new ATOM 0 HG2BARG A 17 0.245 7.435 -10.810 0.80 0.00 H new ATOM 0 HG3AARG A 17 0.181 8.320 -9.478 0.20 0.00 H new ATOM 0 HG3BARG A 17 0.512 8.084 -9.205 0.80 0.00 H new ATOM 0 HD2AARG A 17 -0.017 10.310 -10.883 0.20 0.00 H new ATOM 0 HD2BARG A 17 -0.672 9.639 -10.841 0.80 0.00 H new ATOM 0 HD3AARG A 17 1.086 10.628 -9.559 0.20 0.00 H new ATOM 0 HD3BARG A 17 0.712 10.322 -10.011 0.80 0.00 H new ATOM 0 HE AARG A 17 2.771 9.784 -11.589 0.20 0.00 H new ATOM 0 HE BARG A 17 1.405 9.116 -12.588 0.80 0.00 H new ATOM 0 HH11AARG A 17 0.253 12.237 -11.285 0.20 0.00 H new ATOM 0 HH11BARG A 17 0.220 11.998 -10.925 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.005 13.322 -12.459 0.20 0.00 H new ATOM 0 HH12BARG A 17 0.742 13.093 -12.209 0.80 0.00 H new ATOM 0 HH21AARG A 17 3.729 11.178 -13.099 0.20 0.00 H new ATOM 0 HH21BARG A 17 2.074 10.533 -14.232 0.80 0.00 H new ATOM 0 HH22AARG A 17 2.966 12.725 -13.483 0.20 0.00 H new ATOM 0 HH22BARG A 17 1.786 12.269 -14.071 0.80 0.00 H new ATOM 449 N AASN A 18 4.835 6.875 -8.757 0.20 0.00 N ATOM 450 N BASN A 18 4.783 5.753 -8.801 0.80 0.00 N ATOM 451 CA AASN A 18 6.264 6.598 -8.851 0.20 0.00 C ATOM 452 CA BASN A 18 6.223 5.635 -8.604 0.80 0.00 C ATOM 453 C AASN A 18 6.564 5.152 -8.469 0.20 0.00 C ATOM 454 C BASN A 18 6.645 4.170 -8.545 0.80 0.00 C ATOM 455 O AASN A 18 7.453 4.519 -9.040 0.20 0.00 O ATOM 456 O BASN A 18 7.260 3.651 -9.477 0.80 0.00 O ATOM 457 CB AASN A 18 7.049 7.551 -7.948 0.20 0.00 C ATOM 458 CB BASN A 18 6.646 6.352 -7.320 0.80 0.00 C ATOM 459 CG AASN A 18 6.488 8.960 -7.965 0.20 0.00 C ATOM 460 CG BASN A 18 7.139 7.763 -7.580 0.80 0.00 C ATOM 461 OD1AASN A 18 6.302 9.576 -6.916 0.20 0.00 O ATOM 462 OD1BASN A 18 6.530 8.736 -7.137 0.80 0.00 O ATOM 463 ND2AASN A 18 6.214 9.472 -9.158 0.20 0.00 N ATOM 464 ND2BASN A 18 8.248 7.877 -8.302 0.80 0.00 N ATOM 0 H AASN A 18 4.583 7.553 -8.038 0.20 0.00 H new ATOM 0 H BASN A 18 4.223 5.158 -8.191 0.80 0.00 H new ATOM 0 HA AASN A 18 6.572 6.752 -9.885 0.20 0.00 H new ATOM 0 HA BASN A 18 6.720 6.105 -9.453 0.80 0.00 H new ATOM 0 HB2AASN A 18 7.037 7.171 -6.926 0.20 0.00 H new ATOM 0 HB2BASN A 18 5.802 6.386 -6.631 0.80 0.00 H new ATOM 0 HB3AASN A 18 8.091 7.574 -8.268 0.20 0.00 H new ATOM 0 HB3BASN A 18 7.434 5.779 -6.830 0.80 0.00 H new ATOM 0 HD21AASN A 18 5.832 10.415 -9.233 0.20 0.00 H new ATOM 0 HD21BASN A 18 8.628 8.800 -8.510 0.80 0.00 H new ATOM 0 HD22AASN A 18 6.385 8.923 -10.000 0.20 0.00 H new ATOM 0 HD22BASN A 18 8.719 7.041 -8.648 0.80 0.00 H new ATOM 477 N ASER A 19 5.816 4.634 -7.499 0.20 0.00 N ATOM 478 N BSER A 19 6.308 3.507 -7.442 0.80 0.00 N ATOM 479 CA ASER A 19 6.002 3.264 -7.037 0.20 0.00 C ATOM 480 CA BSER A 19 6.656 2.104 -7.257 0.80 0.00 C ATOM 481 C ASER A 19 4.862 2.369 -7.514 0.20 0.00 C ATOM 482 C BSER A 19 5.493 1.201 -7.663 0.80 0.00 C ATOM 483 O ASER A 19 3.961 2.818 -8.223 0.20 0.00 O ATOM 484 O BSER A 19 5.670 0.239 -8.408 0.80 0.00 O ATOM 485 CB ASER A 19 6.092 3.225 -5.512 0.20 0.00 C ATOM 486 CB BSER A 19 7.040 1.838 -5.801 0.80 0.00 C ATOM 487 OG ASER A 19 5.570 4.413 -4.940 0.20 0.00 O ATOM 488 OG BSER A 19 5.927 2.005 -4.941 0.80 0.00 O ATOM 0 H ASER A 19 5.075 5.144 -7.018 0.20 0.00 H new ATOM 0 H BSER A 19 5.794 3.920 -6.664 0.80 0.00 H new ATOM 0 HA ASER A 19 6.935 2.889 -7.458 0.20 0.00 H new ATOM 0 HA BSER A 19 7.510 1.879 -7.895 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.542 2.363 -5.134 0.20 0.00 H new ATOM 0 HB2BSER A 19 7.430 0.825 -5.704 0.80 0.00 H new ATOM 0 HB3ASER A 19 7.131 3.098 -5.209 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.839 2.517 -5.503 0.80 0.00 H new ATOM 0 HG ASER A 19 5.637 4.363 -3.964 0.20 0.00 H new ATOM 0 HG BSER A 19 5.975 2.884 -4.510 0.80 0.00 H new ATOM 499 N AGLY A 20 4.910 1.101 -7.121 0.20 0.00 N ATOM 500 N BGLY A 20 4.304 1.518 -7.161 0.80 0.00 N ATOM 501 CA AGLY A 20 3.877 0.161 -7.517 0.20 0.00 C ATOM 502 CA BGLY A 20 3.130 0.727 -7.480 0.80 0.00 C ATOM 503 C AGLY A 20 3.190 -0.482 -6.328 0.20 0.00 C ATOM 504 C BGLY A 20 2.458 0.162 -6.244 0.80 0.00 C ATOM 505 O AGLY A 20 3.083 -1.706 -6.253 0.20 0.00 O ATOM 506 O BGLY A 20 1.814 -0.886 -6.303 0.80 0.00 O ATOM 0 H AGLY A 20 5.646 0.707 -6.535 0.20 0.00 H new ATOM 0 H BGLY A 20 4.133 2.308 -6.539 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.135 0.677 -8.126 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.417 1.344 -8.027 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.317 -0.616 -8.142 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.416 -0.092 -8.141 0.80 0.00 H new ATOM 513 N AARG A 21 2.725 0.345 -5.397 0.20 0.00 N ATOM 514 N BARG A 21 2.610 0.856 -5.120 0.80 0.00 N ATOM 515 CA AARG A 21 2.048 -0.151 -4.205 0.20 0.00 C ATOM 516 CA BARG A 21 2.016 0.416 -3.864 0.80 0.00 C ATOM 517 C AARG A 21 0.611 0.358 -4.145 0.20 0.00 C ATOM 518 C BARG A 21 0.538 0.791 -3.801 0.80 0.00 C ATOM 519 O AARG A 21 0.353 1.547 -4.334 0.20 0.00 O ATOM 520 O BARG A 21 0.183 1.967 -3.857 0.80 0.00 O ATOM 521 CB AARG A 21 2.806 0.279 -2.947 0.20 0.00 C ATOM 522 CB BARG A 21 2.760 1.031 -2.679 0.80 0.00 C ATOM 523 CG AARG A 21 3.184 1.752 -2.937 0.20 0.00 C ATOM 524 CG BARG A 21 4.012 0.263 -2.280 0.80 0.00 C ATOM 525 CD AARG A 21 4.154 2.071 -1.810 0.20 0.00 C ATOM 526 CD BARG A 21 5.120 1.201 -1.832 0.80 0.00 C ATOM 527 NE AARG A 21 3.757 1.443 -0.554 0.20 0.00 N ATOM 528 NE BARG A 21 4.638 2.214 -0.897 0.80 0.00 N ATOM 529 CZ AARG A 21 2.840 1.950 0.264 0.20 0.00 C ATOM 530 CZ BARG A 21 4.368 1.967 0.380 0.80 0.00 C ATOM 531 NH1AARG A 21 2.229 3.085 -0.044 0.20 0.00 N ATOM 532 NH1BARG A 21 4.533 0.747 0.871 0.80 0.00 N ATOM 533 NH2AARG A 21 2.534 1.320 1.390 0.20 0.00 N ATOM 534 NH2BARG A 21 3.931 2.942 1.167 0.80 0.00 N ATOM 0 H AARG A 21 2.805 1.361 -5.445 0.20 0.00 H new ATOM 0 H BARG A 21 3.140 1.725 -5.054 0.80 0.00 H new ATOM 0 HA AARG A 21 2.028 -1.240 -4.255 0.20 0.00 H new ATOM 0 HA BARG A 21 2.101 -0.669 -3.812 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.192 0.064 -2.072 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.036 2.056 -2.927 0.80 0.00 H new ATOM 0 HB3AARG A 21 3.712 -0.320 -2.856 0.20 0.00 H new ATOM 0 HB3BARG A 21 2.086 1.080 -1.824 0.80 0.00 H new ATOM 0 HG2AARG A 21 3.635 2.020 -3.893 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.773 -0.431 -1.474 0.80 0.00 H new ATOM 0 HG3AARG A 21 2.285 2.359 -2.827 0.20 0.00 H new ATOM 0 HG3BARG A 21 4.358 -0.334 -3.123 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.153 1.733 -2.085 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.915 0.623 -1.361 0.80 0.00 H new ATOM 0 HD3AARG A 21 4.209 3.151 -1.674 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.555 1.690 -2.704 0.80 0.00 H new ATOM 0 HE AARG A 21 4.208 0.567 -0.289 0.20 0.00 H new ATOM 0 HE BARG A 21 4.501 3.163 -1.244 0.80 0.00 H new ATOM 0 HH11AARG A 21 2.462 3.571 -0.910 0.20 0.00 H new ATOM 0 HH11BARG A 21 4.868 -0.004 0.268 0.80 0.00 H new ATOM 0 HH12AARG A 21 1.526 3.473 0.585 0.20 0.00 H new ATOM 0 HH12BARG A 21 4.325 0.560 1.852 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.002 0.446 1.629 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.802 3.882 0.791 0.80 0.00 H new ATOM 0 HH22AARG A 21 1.830 1.710 2.017 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.724 2.752 2.147 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.322 -0.552 -3.880 0.20 0.00 N ATOM 562 N BVAL A 22 -0.319 -0.218 -3.683 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.734 -0.196 -3.795 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.758 0.006 -3.610 0.80 0.00 C ATOM 565 C AVAL A 22 -2.086 0.331 -2.408 0.20 0.00 C ATOM 566 C BVAL A 22 -2.178 0.437 -2.209 0.80 0.00 C ATOM 567 O AVAL A 22 -1.568 -0.151 -1.400 0.20 0.00 O ATOM 568 O BVAL A 22 -1.693 -0.100 -1.212 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.636 -1.400 -4.119 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.543 -1.259 -4.004 0.80 0.00 C ATOM 571 CG1AVAL A 22 -4.100 -1.039 -3.924 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.036 -1.050 -3.790 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.384 -1.888 -5.538 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.253 -1.638 -5.448 0.80 0.00 C ATOM 0 H AVAL A 22 -0.126 -1.540 -3.721 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.042 -1.198 -3.636 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.908 0.588 -4.532 0.20 0.00 H new ATOM 0 HA BVAL A 22 -1.990 0.803 -4.316 0.80 0.00 H new ATOM 0 HB AVAL A 22 -2.391 -2.210 -3.431 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.219 -2.080 -3.364 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -4.722 -1.903 -4.158 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.574 -1.954 -4.074 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -4.267 -0.742 -2.889 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.226 -0.829 -2.740 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -4.362 -0.213 -4.585 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.378 -0.216 -4.403 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.030 -2.740 -5.750 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -2.816 -2.534 -5.709 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -2.599 -1.085 -6.243 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.548 -0.820 -6.105 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -1.341 -2.190 -5.639 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.187 -1.832 -5.566 0.80 0.00 H new ATOM 593 N ATYR A 23 -2.968 1.322 -2.363 0.20 0.00 N ATOM 594 N BTYR A 23 -3.082 1.407 -2.141 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.388 1.917 -1.100 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.566 1.912 -0.861 0.80 0.00 C ATOM 597 C ATYR A 23 -4.812 2.454 -1.197 0.20 0.00 C ATOM 598 C BTYR A 23 -5.007 2.400 -0.978 0.80 0.00 C ATOM 599 O ATYR A 23 -5.382 2.540 -2.285 0.20 0.00 O ATOM 600 O BTYR A 23 -5.613 2.328 -2.046 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.431 3.041 -0.698 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.669 3.048 -0.366 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.323 4.140 -1.731 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.642 4.246 -1.287 0.80 0.00 C ATOM 605 CD1ATYR A 23 -1.246 4.192 -2.607 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.745 4.311 -2.347 0.80 0.00 C ATOM 607 CD2ATYR A 23 -3.297 5.126 -1.829 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.514 5.311 -1.100 0.80 0.00 C ATOM 609 CE1ATYR A 23 -1.141 5.195 -3.552 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.717 5.404 -3.192 0.80 0.00 C ATOM 611 CE2ATYR A 23 -3.201 6.132 -2.773 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.494 6.407 -1.943 0.80 0.00 C ATOM 613 CZ ATYR A 23 -2.121 6.162 -3.631 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.592 6.449 -2.986 0.80 0.00 C ATOM 615 OH ATYR A 23 -2.022 7.163 -4.570 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.569 7.539 -3.825 0.80 0.00 O ATOM 0 H ATYR A 23 -3.407 1.731 -3.188 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.495 1.860 -2.957 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.365 1.140 -0.336 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.536 1.094 -0.141 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -2.765 3.472 0.246 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -3.011 3.366 0.619 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.441 2.619 -0.523 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.654 2.671 -0.245 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -0.477 3.435 -2.549 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -1.059 3.494 -2.513 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -4.142 5.106 -1.157 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.219 5.283 -0.283 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -0.296 5.221 -4.225 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -1.013 5.439 -4.010 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -3.967 6.890 -2.838 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.181 7.226 -1.786 0.80 0.00 H new ATOM 0 HH ATYR A 23 -2.794 7.761 -4.493 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.250 8.184 -3.542 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.379 2.815 -0.053 0.20 0.00 N ATOM 636 N BTYR A 24 -5.547 2.896 0.129 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.739 3.342 -0.006 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.918 3.395 0.153 0.80 0.00 C ATOM 639 C ATYR A 24 -6.741 4.805 0.429 0.20 0.00 C ATOM 640 C BTYR A 24 -6.979 4.788 0.773 0.80 0.00 C ATOM 641 O ATYR A 24 -5.843 5.254 1.143 0.20 0.00 O ATOM 642 O BTYR A 24 -6.390 5.040 1.823 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.598 2.514 0.951 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.817 2.437 0.935 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.691 1.054 0.570 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.554 0.979 0.634 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.923 0.095 1.220 0.20 0.00 C ATOM 648 CD1BTYR A 24 -7.006 0.139 1.597 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.547 0.631 -0.440 0.20 0.00 C ATOM 650 CD2BTYR A 24 -7.853 0.440 -0.611 0.80 0.00 C ATOM 651 CE1ATYR A 24 -7.004 -1.240 0.875 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.764 -1.194 1.327 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.636 -0.702 -0.790 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.614 -0.891 -0.889 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.862 -1.633 -0.130 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.071 -1.705 0.083 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.949 -2.963 -0.477 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.830 -3.031 -0.191 0.80 0.00 O ATOM 0 H ATYR A 24 -4.919 2.753 0.855 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.058 2.964 1.021 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.160 3.278 -1.009 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.274 3.459 -0.875 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.186 2.593 1.957 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.677 2.610 2.002 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.602 2.937 0.984 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.859 2.664 0.709 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -6.251 0.399 2.009 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.766 0.535 2.572 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -9.153 1.358 -0.960 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.280 1.073 -1.375 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -6.399 -1.972 1.390 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -6.337 -1.833 2.086 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -9.308 -1.013 -1.576 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -7.851 -1.293 -1.863 0.80 0.00 H new ATOM 0 HH ATYR A 24 -8.600 -3.070 -1.202 0.20 0.00 H new ATOM 0 HH BTYR A 24 -7.104 -3.230 -1.111 0.80 0.00 H new ATOM 677 N APHE A 25 -7.755 5.544 -0.008 0.20 0.00 N ATOM 678 N BPHE A 25 -7.700 5.689 0.113 0.80 0.00 N ATOM 679 CA APHE A 25 -7.877 6.956 0.335 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.839 7.058 0.597 0.80 0.00 C ATOM 681 C APHE A 25 -9.291 7.284 0.803 0.20 0.00 C ATOM 682 C BPHE A 25 -9.305 7.474 0.634 0.80 0.00 C ATOM 683 O APHE A 25 -10.271 6.908 0.158 0.20 0.00 O ATOM 684 O BPHE A 25 -10.074 7.164 -0.277 0.80 0.00 O ATOM 685 CB APHE A 25 -7.508 7.827 -0.867 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.047 8.019 -0.292 0.80 0.00 C ATOM 687 CG APHE A 25 -7.451 9.294 -0.551 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.355 9.466 -0.035 0.80 0.00 C ATOM 689 CD1APHE A 25 -8.404 10.163 -1.054 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.372 10.105 -0.726 0.80 0.00 C ATOM 691 CD2APHE A 25 -6.443 9.804 0.252 0.20 0.00 C ATOM 692 CD2BPHE A 25 -6.630 10.187 0.900 0.80 0.00 C ATOM 693 CE1APHE A 25 -8.355 11.513 -0.763 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.659 11.437 -0.491 0.80 0.00 C ATOM 695 CE2APHE A 25 -6.388 11.153 0.547 0.20 0.00 C ATOM 696 CE2BPHE A 25 -6.912 11.519 1.138 0.80 0.00 C ATOM 697 CZ APHE A 25 -7.344 12.010 0.037 0.20 0.00 C ATOM 698 CZ BPHE A 25 -7.927 12.145 0.442 0.80 0.00 C ATOM 0 H APHE A 25 -8.505 5.188 -0.601 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.196 5.496 -0.757 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.188 7.166 1.153 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.441 7.101 1.611 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.539 7.509 -1.252 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -5.981 7.850 -0.137 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.236 7.663 -1.661 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.257 7.791 -1.337 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.196 9.781 -1.682 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -8.947 9.556 -1.457 0.80 0.00 H new ATOM 0 HD2APHE A 25 -5.692 9.139 0.652 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -5.836 9.703 1.449 0.80 0.00 H new ATOM 0 HE1APHE A 25 -9.106 12.179 -1.161 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.454 11.923 -1.036 0.80 0.00 H new ATOM 0 HE2APHE A 25 -5.598 11.537 1.176 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -6.338 12.070 1.868 0.80 0.00 H new ATOM 0 HZ APHE A 25 -7.301 13.065 0.263 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.148 13.186 0.627 0.80 0.00 H new ATOM 717 N AASN A 26 -9.390 7.987 1.925 0.20 0.00 N ATOM 718 N BASN A 26 -9.690 8.178 1.694 0.80 0.00 N ATOM 719 CA AASN A 26 -10.684 8.364 2.480 0.20 0.00 C ATOM 720 CA BASN A 26 -11.064 8.636 1.852 0.80 0.00 C ATOM 721 C AASN A 26 -11.023 9.812 2.135 0.20 0.00 C ATOM 722 C BASN A 26 -11.187 10.117 1.509 0.80 0.00 C ATOM 723 O AASN A 26 -10.628 10.739 2.844 0.20 0.00 O ATOM 724 O BASN A 26 -10.407 10.942 1.985 0.80 0.00 O ATOM 725 CB AASN A 26 -10.687 8.176 3.997 0.20 0.00 C ATOM 726 CB BASN A 26 -11.544 8.392 3.284 0.80 0.00 C ATOM 727 CG AASN A 26 -12.053 8.419 4.608 0.20 0.00 C ATOM 728 CG BASN A 26 -13.057 8.363 3.389 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.964 8.911 3.942 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.751 9.136 2.728 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.201 8.076 5.881 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.575 7.468 4.224 0.80 0.00 N ATOM 0 H AASN A 26 -8.589 8.308 2.469 0.20 0.00 H new ATOM 0 H BASN A 26 -9.068 8.444 2.457 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.442 7.717 2.039 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.690 8.068 1.164 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.361 7.164 4.235 0.20 0.00 H new ATOM 0 HB2BASN A 26 -11.139 7.446 3.644 0.80 0.00 H new ATOM 0 HB3AASN A 26 -9.965 8.858 4.446 0.20 0.00 H new ATOM 0 HB3BASN A 26 -11.152 9.174 3.934 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.098 8.217 6.346 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.587 7.402 4.337 0.80 0.00 H new ATOM 0 HD22AASN A 26 -11.418 7.671 6.394 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.961 6.847 4.752 0.80 0.00 H new ATOM 745 N AHIS A 27 -11.754 9.999 1.041 0.20 0.00 N ATOM 746 N BHIS A 27 -12.172 10.448 0.678 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.147 11.333 0.602 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.398 11.830 0.272 0.80 0.00 C ATOM 749 C AHIS A 27 -13.285 11.875 1.463 0.20 0.00 C ATOM 750 C BHIS A 27 -13.205 12.581 1.326 0.80 0.00 C ATOM 751 O AHIS A 27 -13.657 13.044 1.353 0.20 0.00 O ATOM 752 O BHIS A 27 -13.253 13.812 1.326 0.80 0.00 O ATOM 753 CB AHIS A 27 -12.570 11.307 -0.866 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.123 11.876 -1.073 0.80 0.00 C ATOM 755 CG AHIS A 27 -13.950 10.766 -1.081 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.378 11.058 -1.104 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.001 11.540 -1.525 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.594 11.527 -0.655 0.80 0.00 N ATOM 759 CD2AHIS A 27 -14.448 9.518 -0.912 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.600 9.795 -1.536 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.086 10.791 -1.620 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.510 10.588 -0.807 0.80 0.00 C ATOM 763 NE2AHIS A 27 -15.778 9.561 -1.254 0.20 0.00 N ATOM 764 NE2BHIS A 27 -15.933 9.527 -1.342 0.80 0.00 N ATOM 0 H AHIS A 27 -12.086 9.243 0.442 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.826 9.777 0.273 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.286 11.992 0.711 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.428 12.316 0.169 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -12.518 12.319 -1.269 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.368 12.911 -1.310 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -11.860 10.703 -1.430 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.449 11.522 -1.853 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -13.902 8.651 -0.572 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.866 9.123 -1.955 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -17.060 11.129 -1.943 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.553 10.673 -0.540 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.423 8.771 -1.229 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.401 8.651 -1.573 0.80 0.00 H new ATOM 779 N AILE A 28 -13.833 11.019 2.319 0.20 0.00 N ATOM 780 N BILE A 28 -13.840 11.832 2.223 0.80 0.00 N ATOM 781 CA AILE A 28 -14.927 11.412 3.198 0.20 0.00 C ATOM 782 CA BILE A 28 -14.645 12.429 3.281 0.80 0.00 C ATOM 783 C AILE A 28 -14.400 11.987 4.509 0.20 0.00 C ATOM 784 C BILE A 28 -13.788 12.778 4.493 0.80 0.00 C ATOM 785 O AILE A 28 -15.004 12.888 5.092 0.20 0.00 O ATOM 786 O BILE A 28 -13.918 13.857 5.071 0.80 0.00 O ATOM 787 CB AILE A 28 -15.855 10.223 3.508 0.20 0.00 C ATOM 788 CB BILE A 28 -15.779 11.486 3.723 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.851 10.014 2.365 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.722 11.202 2.553 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.588 10.452 4.821 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.544 12.090 4.892 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.907 11.093 2.281 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.895 10.321 2.921 0.80 0.00 C ATOM 0 H AILE A 28 -13.537 10.048 2.422 0.20 0.00 H new ATOM 0 H BILE A 28 -13.812 10.812 2.237 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.496 12.178 2.671 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.079 13.341 2.872 0.80 0.00 H new ATOM 0 HB AILE A 28 -15.248 9.323 3.605 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.341 10.543 4.048 0.80 0.00 H new ATOM 0 HG12AILE A 28 -16.306 9.975 1.422 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.097 12.148 2.162 0.80 0.00 H new ATOM 0 HG13AILE A 28 -17.339 9.048 2.491 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.159 10.726 1.750 0.80 0.00 H new ATOM 0 HG21AILE A 28 -17.240 9.603 5.027 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.343 11.412 5.193 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.864 10.557 5.629 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.865 12.246 5.730 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.186 11.360 4.750 0.20 0.00 H new ATOM 0 HG23BILE A 28 -16.974 13.045 4.591 0.80 0.00 H new ATOM 0 HD11AILE A 28 -18.578 10.881 1.449 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.521 10.162 2.043 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.477 11.117 3.210 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.529 9.361 3.284 0.80 0.00 H new ATOM 0 HD13AILE A 28 -17.428 12.059 2.124 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.482 10.804 3.702 0.80 0.00 H new ATOM 817 N ATHR A 29 -13.268 11.461 4.966 0.20 0.00 N ATOM 818 N BTHR A 29 -12.908 11.856 4.874 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.658 11.922 6.208 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.027 12.067 6.016 0.80 0.00 C ATOM 821 C ATHR A 29 -11.262 12.481 5.961 0.20 0.00 C ATOM 822 C BTHR A 29 -10.677 12.624 5.575 0.80 0.00 C ATOM 823 O ATHR A 29 -10.477 12.649 6.893 0.20 0.00 O ATOM 824 O BTHR A 29 -9.956 13.226 6.368 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.569 10.787 7.244 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.800 10.760 6.799 0.80 0.00 C ATOM 827 OG1ATHR A 29 -13.746 9.973 7.183 0.20 0.00 O ATOM 828 OG1BTHR A 29 -10.928 9.895 6.064 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.406 11.348 8.647 0.20 0.00 C ATOM 830 CG2BTHR A 29 -13.120 10.053 7.063 0.80 0.00 C ATOM 0 H ATHR A 29 -12.755 10.716 4.495 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.787 10.957 4.408 0.80 0.00 H new ATOM 0 HA ATHR A 29 -13.298 12.713 6.600 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.520 12.790 6.666 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.696 10.178 7.009 0.20 0.00 H new ATOM 0 HB BTHR A 29 -11.342 11.009 7.756 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -13.756 9.355 7.943 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -10.787 9.067 6.569 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.345 10.528 9.362 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.935 9.133 7.617 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.493 11.942 8.698 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -13.771 10.704 7.647 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.262 11.978 8.889 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.601 9.815 6.114 0.80 0.00 H new ATOM 845 N AASN A 30 -10.961 12.768 4.699 0.20 0.00 N ATOM 846 N BASN A 30 -10.343 12.416 4.306 0.80 0.00 N ATOM 847 CA AASN A 30 -9.656 13.309 4.330 0.20 0.00 C ATOM 848 CA BASN A 30 -9.079 12.897 3.761 0.80 0.00 C ATOM 849 C AASN A 30 -8.532 12.514 4.984 0.20 0.00 C ATOM 850 C BASN A 30 -7.897 12.238 4.465 0.80 0.00 C ATOM 851 O AASN A 30 -7.478 13.061 5.307 0.20 0.00 O ATOM 852 O BASN A 30 -7.106 12.908 5.130 0.80 0.00 O ATOM 853 CB AASN A 30 -9.558 14.782 4.735 0.20 0.00 C ATOM 854 CB BASN A 30 -8.987 14.418 3.897 0.80 0.00 C ATOM 855 CG AASN A 30 -9.739 15.719 3.555 0.20 0.00 C ATOM 856 CG BASN A 30 -7.993 15.026 2.926 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.762 16.391 3.433 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.375 15.730 1.991 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.739 15.767 2.681 0.20 0.00 N ATOM 860 ND2BASN A 30 -6.711 14.757 3.144 0.80 0.00 N ATOM 0 H AASN A 30 -11.601 12.636 3.916 0.20 0.00 H new ATOM 0 H BASN A 30 -10.929 11.918 3.636 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.550 13.229 3.248 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.043 12.631 2.704 0.80 0.00 H new ATOM 0 HB2AASN A 30 -10.315 15.000 5.488 0.20 0.00 H new ATOM 0 HB2BASN A 30 -9.971 14.855 3.727 0.80 0.00 H new ATOM 0 HB3AASN A 30 -8.587 14.966 5.196 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.697 14.672 4.916 0.80 0.00 H new ATOM 0 HD21AASN A 30 -8.801 16.380 1.868 0.20 0.00 H new ATOM 0 HD21BASN A 30 -5.997 15.139 2.524 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.909 15.191 2.823 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.440 14.168 3.932 0.80 0.00 H new ATOM 873 N AALA A 31 -8.765 11.219 5.178 0.20 0.00 N ATOM 874 N BALA A 31 -7.783 10.924 4.314 0.80 0.00 N ATOM 875 CA AALA A 31 -7.771 10.349 5.793 0.20 0.00 C ATOM 876 CA BALA A 31 -6.696 10.175 4.934 0.80 0.00 C ATOM 877 C AALA A 31 -7.160 9.402 4.765 0.20 0.00 C ATOM 878 C BALA A 31 -6.402 8.893 4.161 0.80 0.00 C ATOM 879 O AALA A 31 -7.690 9.239 3.666 0.20 0.00 O ATOM 880 O BALA A 31 -7.291 8.322 3.527 0.80 0.00 O ATOM 881 CB AALA A 31 -8.395 9.560 6.935 0.20 0.00 C ATOM 882 CB BALA A 31 -7.035 9.855 6.381 0.80 0.00 C ATOM 0 H AALA A 31 -9.633 10.751 4.918 0.20 0.00 H new ATOM 0 H BALA A 31 -8.430 10.355 3.768 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.973 10.975 6.192 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.800 10.796 4.911 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.641 8.914 7.385 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.215 9.296 6.832 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.778 10.250 7.687 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.188 10.783 6.933 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.213 8.950 6.552 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.945 9.257 6.418 0.80 0.00 H new ATOM 893 N ASER A 32 -6.041 8.783 5.129 0.20 0.00 N ATOM 894 N BSER A 32 -5.153 8.446 4.218 0.80 0.00 N ATOM 895 CA ASER A 32 -5.356 7.857 4.235 0.20 0.00 C ATOM 896 CA BSER A 32 -4.742 7.233 3.521 0.80 0.00 C ATOM 897 C ASER A 32 -4.481 6.887 5.025 0.20 0.00 C ATOM 898 C BSER A 32 -4.329 6.149 4.512 0.80 0.00 C ATOM 899 O ASER A 32 -3.750 7.292 5.930 0.20 0.00 O ATOM 900 O BSER A 32 -3.718 6.436 5.541 0.80 0.00 O ATOM 901 CB ASER A 32 -4.502 8.625 3.227 0.20 0.00 C ATOM 902 CB BSER A 32 -3.585 7.536 2.567 0.80 0.00 C ATOM 903 OG ASER A 32 -4.347 7.890 2.025 0.20 0.00 O ATOM 904 OG BSER A 32 -2.864 8.682 2.987 0.80 0.00 O ATOM 0 H ASER A 32 -5.590 8.906 6.036 0.20 0.00 H new ATOM 0 H BSER A 32 -4.407 8.906 4.740 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.112 7.284 3.698 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.593 6.868 2.946 0.80 0.00 H new ATOM 0 HB2ASER A 32 -4.966 9.587 3.011 0.20 0.00 H new ATOM 0 HB2BSER A 32 -2.915 6.678 2.520 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.523 8.833 3.659 0.20 0.00 H new ATOM 0 HB3BSER A 32 -3.972 7.695 1.560 0.80 0.00 H new ATOM 0 HG ASER A 32 -4.899 7.081 2.063 0.20 0.00 H new ATOM 0 HG BSER A 32 -2.129 8.853 2.362 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.563 5.607 4.676 0.20 0.00 N ATOM 916 N BGLN A 33 -4.669 4.904 4.194 0.80 0.00 N ATOM 917 CA AGLN A 33 -3.778 4.581 5.353 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.334 3.777 5.057 0.80 0.00 C ATOM 919 C AGLN A 33 -3.577 3.367 4.452 0.20 0.00 C ATOM 920 C BGLN A 33 -4.067 2.522 4.233 0.80 0.00 C ATOM 921 O AGLN A 33 -4.336 3.150 3.508 0.20 0.00 O ATOM 922 O BGLN A 33 -4.829 2.187 3.326 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.467 4.157 6.653 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.467 3.517 6.052 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.905 3.709 6.460 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.158 2.411 7.048 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.320 2.635 7.446 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.196 2.309 8.147 0.80 0.00 C ATOM 929 OE1AGLN A 33 -5.514 2.175 8.255 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.320 3.365 8.945 0.80 0.00 O flip ATOM 931 NE2AGLN A 33 -7.582 2.230 7.385 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.880 1.296 8.279 0.80 0.00 N flip ATOM 0 H AGLN A 33 -5.164 5.256 3.930 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.176 4.650 3.346 0.80 0.00 H new ATOM 0 HA AGLN A 33 -2.801 5.003 5.588 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.427 4.028 5.607 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -3.900 3.344 7.107 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.679 4.437 6.597 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.446 4.991 7.354 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.371 3.257 5.501 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.567 4.569 6.566 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -5.098 1.459 6.521 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.031 3.333 5.445 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.180 2.591 7.493 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -8.216 2.639 6.698 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.752 0.508 7.644 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -7.918 1.510 8.025 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.575 1.244 9.023 0.80 0.00 H new ATOM 949 N APHE A 34 -2.548 2.579 4.749 0.20 0.00 N ATOM 950 N BPHE A 34 -2.978 1.831 4.553 0.80 0.00 N ATOM 951 CA APHE A 34 -2.245 1.390 3.965 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.609 0.614 3.842 0.80 0.00 C ATOM 953 C APHE A 34 -3.115 0.214 4.402 0.20 0.00 C ATOM 954 C BPHE A 34 -3.444 -0.571 4.321 0.80 0.00 C ATOM 955 O APHE A 34 -3.444 -0.661 3.602 0.20 0.00 O ATOM 956 O BPHE A 34 -3.777 -1.463 3.542 0.80 0.00 O ATOM 957 CB APHE A 34 -0.765 1.023 4.102 0.20 0.00 C ATOM 958 CB BPHE A 34 -1.121 0.315 4.038 0.80 0.00 C ATOM 959 CG APHE A 34 0.156 2.204 3.994 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.223 1.452 3.645 0.80 0.00 C ATOM 961 CD1APHE A 34 1.196 2.372 4.891 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.701 1.965 4.540 0.80 0.00 C ATOM 963 CD2APHE A 34 -0.020 3.147 2.992 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.306 2.011 2.378 0.80 0.00 C ATOM 965 CE1APHE A 34 2.047 3.458 4.793 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.529 3.011 4.179 0.80 0.00 C ATOM 967 CE2APHE A 34 0.827 4.233 2.890 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.518 3.057 2.013 0.80 0.00 C ATOM 969 CZ APHE A 34 1.862 4.390 3.793 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.437 3.560 2.915 0.80 0.00 C ATOM 0 H APHE A 34 -1.910 2.744 5.528 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.336 2.094 5.301 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.461 1.611 2.920 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.805 0.769 2.781 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.607 0.536 5.064 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.943 0.068 5.085 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.505 0.298 3.331 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.856 -0.566 3.453 0.80 0.00 H new ATOM 0 HD1APHE A 34 1.345 1.647 5.677 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.775 1.543 5.531 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.828 3.031 2.284 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -1.023 1.624 1.669 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.856 3.576 5.499 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.248 3.399 4.885 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.681 4.960 2.105 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.445 3.482 1.023 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.524 5.240 3.716 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.081 4.380 2.632 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.481 0.201 5.681 0.20 0.00 N ATOM 990 N BGLU A 35 -3.779 -0.570 5.607 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.311 -0.867 6.226 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.573 -1.644 6.188 0.80 0.00 C ATOM 993 C AGLU A 35 -5.745 -0.756 5.718 0.20 0.00 C ATOM 994 C BGLU A 35 -6.045 -1.501 5.810 0.80 0.00 C ATOM 995 O AGLU A 35 -6.340 0.321 5.736 0.20 0.00 O ATOM 996 O BGLU A 35 -6.610 -0.408 5.876 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.295 -0.824 7.755 0.20 0.00 C ATOM 998 CB BGLU A 35 -4.427 -1.650 7.713 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.598 -2.163 8.406 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.986 -1.753 8.185 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.588 -3.231 8.038 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.659 -3.116 8.764 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -2.424 -3.125 8.478 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -1.526 -3.595 8.546 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -3.960 -4.175 7.307 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -3.535 -3.704 9.434 0.80 0.00 O ATOM 0 H AGLU A 35 -3.216 0.917 6.357 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.513 0.162 6.265 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.899 -1.819 5.891 0.20 0.00 H new ATOM 0 HA BGLU A 35 -4.203 -2.589 5.789 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.316 -0.480 8.090 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.868 -0.738 8.116 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.025 -0.090 8.097 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.995 -2.486 8.121 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -4.614 -2.041 9.489 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -2.318 -1.548 7.349 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -5.594 -2.491 8.107 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.798 -0.988 8.938 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.295 -1.878 5.263 0.20 0.00 N ATOM 1020 N BARG A 36 -6.660 -2.610 5.413 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.656 -1.908 4.749 0.20 0.00 C ATOM 1022 CA BARG A 36 -8.063 -2.606 5.021 0.80 0.00 C ATOM 1023 C AARG A 36 -8.654 -1.480 5.822 0.20 0.00 C ATOM 1024 C BARG A 36 -8.948 -2.134 6.171 0.80 0.00 C ATOM 1025 O AARG A 36 -8.565 -1.881 6.982 0.20 0.00 O ATOM 1026 O BARG A 36 -9.092 -2.806 7.193 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.005 -3.309 4.245 0.20 0.00 C ATOM 1028 CB BARG A 36 -8.492 -4.006 4.575 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.451 -3.456 3.799 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.926 -4.071 4.071 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.797 -4.906 3.498 0.20 0.00 C ATOM 1032 CD BARG A 36 -10.497 -5.474 4.195 0.80 0.00 C ATOM 1033 NE AARG A 36 -11.200 -5.200 3.765 0.20 0.00 N ATOM 1034 NE BARG A 36 -11.884 -5.462 4.653 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.682 -5.451 4.976 0.20 0.00 C ATOM 1036 CZ BARG A 36 -12.480 -6.505 5.222 0.80 0.00 C ATOM 1037 NH1AARG A 36 -10.873 -5.444 6.027 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.813 -7.636 5.402 0.80 0.00 N ATOM 1039 NH2AARG A 36 -12.973 -5.712 5.139 0.20 0.00 N ATOM 1040 NH2BARG A 36 -13.744 -6.417 5.611 0.80 0.00 N ATOM 0 H AARG A 36 -5.816 -2.778 5.241 0.20 0.00 H new ATOM 0 H BARG A 36 -6.208 -3.523 5.355 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.717 -1.205 3.918 0.20 0.00 H new ATOM 0 HA BARG A 36 -8.180 -1.913 4.188 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.350 -3.559 3.411 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.822 -4.348 3.786 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.803 -4.031 5.036 0.20 0.00 H new ATOM 0 HB3BARG A 36 -8.378 -4.696 5.411 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.113 -3.077 4.577 0.20 0.00 H new ATOM 0 HG2BARG A 36 -10.544 -3.374 4.638 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.622 -2.848 2.911 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.961 -3.754 3.029 0.80 0.00 H new ATOM 0 HD2AARG A 36 -9.574 -5.123 2.453 0.20 0.00 H new ATOM 0 HD2BARG A 36 -10.439 -5.976 3.229 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.168 -5.561 4.101 0.20 0.00 H new ATOM 0 HD3BARG A 36 -9.890 -6.052 4.892 0.80 0.00 H new ATOM 0 HE AARG A 36 -11.847 -5.214 2.977 0.20 0.00 H new ATOM 0 HE BARG A 36 -12.425 -4.606 4.529 0.80 0.00 H new ATOM 0 HH11AARG A 36 -9.880 -5.246 5.905 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.840 -7.707 5.104 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.244 -5.637 6.957 0.20 0.00 H new ATOM 0 HH12BARG A 36 -12.272 -8.435 5.839 0.80 0.00 H new ATOM 0 HH21AARG A 36 -13.597 -5.720 4.333 0.20 0.00 H new ATOM 0 HH21BARG A 36 -14.261 -5.548 5.474 0.80 0.00 H new ATOM 0 HH22AARG A 36 -13.341 -5.905 6.071 0.20 0.00 H new ATOM 0 HH22BARG A 36 -14.200 -7.218 6.047 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.626 -0.644 5.427 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.555 -0.950 6.003 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.659 -0.144 6.340 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.436 -0.362 7.016 0.80 0.00 C ATOM 1071 C APRO A 37 -11.634 -1.235 6.768 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.748 -1.126 7.158 0.80 0.00 C ATOM 1073 O APRO A 37 -11.900 -2.171 6.015 0.20 0.00 O ATOM 1074 O BPRO A 37 -12.202 -1.777 6.219 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.377 0.923 5.512 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.694 1.050 6.485 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.153 0.518 4.095 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.499 0.942 5.011 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.794 -0.125 4.060 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.430 -0.095 4.811 0.80 0.00 C ATOM 0 HA APRO A 37 -10.233 0.234 7.270 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.986 -0.383 8.009 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.440 0.960 5.750 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.702 1.386 6.727 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.972 1.916 5.709 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -10.004 1.770 6.924 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.923 -0.178 3.761 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.425 0.649 4.515 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.194 1.381 3.431 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -10.199 1.900 4.586 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.746 -0.923 3.319 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.586 -0.661 3.893 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.016 0.594 3.805 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.440 0.356 4.743 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.164 -1.107 7.979 0.20 0.00 N ATOM 1096 N BSER A 38 -12.352 -1.039 8.339 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.109 -2.086 8.506 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.612 -1.726 8.604 0.80 0.00 C ATOM 1099 C ASER A 38 -14.495 -1.883 7.902 0.20 0.00 C ATOM 1100 C BSER A 38 -14.792 -0.767 8.466 0.80 0.00 C ATOM 1101 O ASER A 38 -15.032 -2.772 7.242 0.20 0.00 O ATOM 1102 O BSER A 38 -14.611 0.439 8.309 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.186 -1.981 10.031 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.598 -2.337 10.007 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.366 -0.636 10.442 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.742 -3.144 10.222 0.80 0.00 O ATOM 0 H ASER A 38 -11.956 -0.336 8.614 0.20 0.00 H new ATOM 0 H BSER A 38 -11.990 -0.501 9.126 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.754 -3.080 8.233 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.726 -2.523 7.869 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.011 -2.590 10.399 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.697 -2.936 10.137 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.273 -2.380 10.473 0.20 0.00 H new ATOM 0 HB3BSER A 38 -13.564 -1.543 10.753 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.414 -0.596 11.420 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.709 -3.524 11.125 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.069 -0.706 8.134 0.20 0.00 N ATOM 1118 N BGLY A 39 -16.001 -1.317 8.526 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.388 -0.409 7.606 0.20 0.00 C ATOM 1120 CA BGLY A 39 -17.194 -0.499 8.406 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.496 -0.782 8.569 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.404 -1.299 7.965 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.247 -1.020 9.750 0.20 0.00 O ATOM 1124 O BGLY A 39 -19.458 -1.179 8.587 0.80 0.00 O ATOM 0 H AGLY A 39 -14.645 0.046 8.677 0.20 0.00 H new ATOM 0 H BGLY A 39 -16.176 -2.314 8.655 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.453 0.655 7.377 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -17.405 -0.027 9.365 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.530 -0.946 6.668 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -17.011 0.302 7.690 0.80 0.00 H new TER 1131 GLY A 39