USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN A: amide:sc= 0.627 K(o=1,f=-6.3!) USER MOD Set 1.2: A 29 THR OG1A: rot -78:sc= 1.24 USER MOD Set 1.3: A 29 THR OG1B: rot -163:sc= -0.838 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ 136:sc= -0.535 (180deg=-3.2!) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 33:sc= 0.335 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.0219 X(o=-0.022,f=-0.23) USER MOD Single : A 19 SER OG A: rot -130:sc= 0.0536 USER MOD Single : A 19 SER OG B: rot -18:sc= 0.962 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= -0.244 USER MOD Single : A 26 ASN B: amide:sc= -2.27 K(o=-2.3,f=-16!) USER MOD Single : A 27 HIS A: no HE2:sc= -0.852 K(o=-0.85,f=-3.1!) USER MOD Single : A 27 HIS B: no HD1:sc= 0.386 K(o=0.39,f=-2!) USER MOD Single : A 30 ASN A: amide:sc= -0.203 X(o=-0.2,f=-0.041) USER MOD Single : A 30 ASN B: amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= 0 USER MOD Single : A 32 SER OG B: rot 180:sc= 0.0192 USER MOD Single : A 33 GLN A: amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 33 GLN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0658 USER MOD Single : A 38 SER OG B: rot 180:sc= 0.101 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -12.005 -3.996 -4.424 0.50 0.00 N ATOM 24 N BLYS A 6 -13.105 -4.757 -4.395 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.296 -4.097 -3.754 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.611 -5.001 -3.047 0.50 0.00 C ATOM 27 C ALYS A 6 -13.284 -3.332 -2.434 0.50 0.00 C ATOM 28 C BLYS A 6 -13.083 -3.953 -2.074 0.50 0.00 C ATOM 29 O ALYS A 6 -12.833 -3.848 -1.410 0.50 0.00 O ATOM 30 O BLYS A 6 -11.899 -3.953 -1.728 0.50 0.00 O ATOM 31 CB ALYS A 6 -13.649 -5.564 -3.502 0.50 0.00 C ATOM 32 CB BLYS A 6 -13.212 -6.400 -2.576 0.50 0.00 C ATOM 33 CG ALYS A 6 -13.430 -6.459 -4.711 0.50 0.00 C ATOM 34 CG BLYS A 6 -13.417 -7.478 -3.626 0.50 0.00 C ATOM 35 CD ALYS A 6 -13.644 -7.923 -4.367 0.50 0.00 C ATOM 36 CD BLYS A 6 -14.014 -8.739 -3.024 0.50 0.00 C ATOM 37 CE ALYS A 6 -15.043 -8.386 -4.744 0.50 0.00 C ATOM 38 CE BLYS A 6 -15.019 -9.385 -3.965 0.50 0.00 C ATOM 39 NZ ALYS A 6 -15.064 -9.070 -6.066 0.50 0.00 N ATOM 40 NZ BLYS A 6 -15.470 -10.714 -3.467 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.051 -3.655 -4.404 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.699 -4.932 -3.074 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -13.049 -5.936 -2.672 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -12.163 -6.389 -2.279 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -14.693 -5.630 -3.196 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.792 -6.654 -1.689 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -14.113 -6.168 -5.509 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -14.074 -7.102 -4.410 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.418 -6.318 -5.091 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -12.463 -7.715 -4.096 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -12.905 -8.532 -4.888 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -13.217 -9.448 -2.799 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -13.485 -8.074 -3.299 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -14.502 -8.497 -2.080 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -15.420 -9.064 -3.978 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -15.882 -8.729 -4.081 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -15.715 -7.528 -4.768 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -14.571 -9.500 -4.952 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -16.035 -9.370 -6.286 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -16.154 -11.122 -4.136 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -14.729 -8.415 -6.801 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -14.651 -11.349 -3.380 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -14.443 -9.903 -6.036 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -15.921 -10.601 -2.537 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.785 -2.102 -2.464 0.50 0.00 N ATOM 68 N BLEU A 7 -13.965 -3.065 -1.631 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.835 -1.267 -1.268 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.587 -2.013 -0.694 0.50 0.00 C ATOM 71 C ALEU A 7 -15.269 -0.868 -0.941 0.50 0.00 C ATOM 72 C BLEU A 7 -14.810 -1.220 -0.244 0.50 0.00 C ATOM 73 O ALEU A 7 -16.154 -0.878 -1.798 0.50 0.00 O ATOM 74 O BLEU A 7 -15.833 -1.169 -0.926 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.977 -0.015 -1.462 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.565 -1.073 -1.334 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.489 -0.165 -1.138 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.109 -0.109 -2.388 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.925 -1.420 -1.785 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.928 1.333 -1.939 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.719 1.066 -1.594 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.423 -0.340 -3.727 0.50 0.00 C ATOM 0 H ALEU A 7 -14.162 -1.661 -3.303 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.947 -3.052 -1.905 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.440 -1.846 -0.433 0.50 0.00 H new ATOM 0 HA BLEU A 7 -13.139 -2.485 0.180 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.072 0.309 -2.498 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.094 -0.488 -0.544 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.386 0.781 -0.840 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.782 -1.677 -1.793 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.379 -0.259 -0.058 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.175 -0.300 -2.509 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.866 -1.509 -1.543 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.321 2.004 -2.703 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.458 -2.294 -1.410 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.465 1.493 -1.004 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.046 -1.358 -2.866 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.868 1.537 -1.788 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.662 0.943 -1.356 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.823 0.355 -4.465 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.836 1.191 -2.670 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.351 -0.178 -3.619 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.106 1.947 -1.082 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.604 -1.363 -4.057 0.50 0.00 H new ATOM 105 N APRO A 8 -15.509 -0.508 0.328 0.50 0.00 N ATOM 106 N BPRO A 8 -14.704 -0.585 0.935 0.50 0.00 N ATOM 107 CA APRO A 8 -16.835 -0.095 0.798 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.791 0.219 1.500 0.50 0.00 C ATOM 109 C APRO A 8 -17.257 1.255 0.231 0.50 0.00 C ATOM 110 C BPRO A 8 -16.029 1.504 0.718 0.50 0.00 C ATOM 111 O APRO A 8 -16.479 1.952 -0.421 0.50 0.00 O ATOM 112 O BPRO A 8 -15.159 1.991 -0.006 0.50 0.00 O ATOM 113 CB APRO A 8 -16.663 -0.008 2.316 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.296 0.537 2.914 0.50 0.00 C ATOM 115 CG APRO A 8 -15.210 0.248 2.518 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.811 0.460 2.822 0.50 0.00 C ATOM 117 CD APRO A 8 -14.503 -0.473 1.403 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.514 -0.604 1.801 0.50 0.00 C ATOM 0 HA APRO A 8 -17.613 -0.790 0.483 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.745 -0.308 1.475 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.269 0.794 2.738 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.622 1.527 3.234 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.974 -0.932 2.803 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.685 -0.177 3.640 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.994 1.316 2.490 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.388 1.419 2.521 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.881 -0.119 3.490 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.373 0.208 3.788 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.601 0.054 1.092 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.606 -0.382 1.241 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.199 -1.476 1.702 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.371 -1.579 2.266 0.50 0.00 H new ATOM 133 N APRO A 9 -18.519 1.636 0.482 0.50 0.00 N ATOM 134 N BPRO A 9 -17.236 2.072 0.864 0.50 0.00 N ATOM 135 CA APRO A 9 -19.071 2.908 0.006 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.616 3.311 0.178 0.50 0.00 C ATOM 137 C APRO A 9 -18.462 4.108 0.722 0.50 0.00 C ATOM 138 C BPRO A 9 -16.871 4.526 0.720 0.50 0.00 C ATOM 139 O APRO A 9 -18.650 4.288 1.924 0.50 0.00 O ATOM 140 O BPRO A 9 -16.537 4.585 1.902 0.50 0.00 O ATOM 141 CB APRO A 9 -20.562 2.790 0.334 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.116 3.430 0.467 0.50 0.00 C ATOM 143 CG APRO A 9 -20.626 1.828 1.470 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.318 2.675 1.735 0.50 0.00 C ATOM 145 CD APRO A 9 -19.502 0.855 1.252 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.321 1.549 1.709 0.50 0.00 C ATOM 0 HA APRO A 9 -18.864 3.073 -1.051 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.373 3.280 -0.884 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.984 3.756 0.610 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.417 4.472 0.574 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.128 2.428 -0.524 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.710 3.008 -0.344 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.517 2.343 2.424 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.159 3.317 2.601 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.587 1.315 1.493 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.337 2.293 1.804 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.086 0.504 2.196 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.967 1.303 2.710 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.834 -0.026 0.703 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.753 0.640 1.291 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.732 4.930 -0.026 0.50 0.00 N ATOM 162 N BGLY A 10 -16.615 5.495 -0.153 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.106 6.104 0.554 0.50 0.00 C ATOM 164 CA BGLY A 10 -15.911 6.696 0.257 0.50 0.00 C ATOM 165 C AGLY A 10 -15.606 6.131 0.333 0.50 0.00 C ATOM 166 C BGLY A 10 -14.413 6.591 0.044 0.50 0.00 C ATOM 167 O AGLY A 10 -14.994 7.198 0.315 0.50 0.00 O ATOM 168 O BGLY A 10 -13.740 7.597 -0.179 0.50 0.00 O ATOM 0 H AGLY A 10 -17.563 4.804 -1.024 0.50 0.00 H new ATOM 0 H BGLY A 10 -16.883 5.470 -1.137 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.550 7.000 0.121 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.296 7.548 -0.303 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.313 6.131 1.624 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.112 6.890 1.311 0.50 0.00 H new ATOM 175 N ATRP A 11 -15.014 4.954 0.168 0.50 0.00 N ATOM 176 N BTRP A 11 -13.891 5.373 0.118 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.575 4.846 -0.051 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.463 5.141 -0.066 0.50 0.00 C ATOM 179 C ATRP A 11 -13.254 4.784 -1.540 0.50 0.00 C ATOM 180 C BTRP A 11 -12.139 4.869 -1.530 0.50 0.00 C ATOM 181 O ATRP A 11 -14.096 4.399 -2.350 0.50 0.00 O ATOM 182 O BTRP A 11 -12.882 4.169 -2.219 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.022 3.608 0.655 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.001 3.966 0.799 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.726 3.833 2.107 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.321 4.137 2.253 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.591 3.674 3.153 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.519 3.902 2.863 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.481 4.259 2.671 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.426 4.582 3.280 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.956 3.978 4.334 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.425 4.174 4.206 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.662 4.337 4.066 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.152 4.591 4.486 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.232 4.580 2.134 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.084 4.968 3.298 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.639 4.725 4.928 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.577 4.974 5.698 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.219 4.965 2.991 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.516 5.350 4.498 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.426 5.034 4.375 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.263 5.349 5.685 0.50 0.00 C ATOM 0 H ATRP A 11 -15.507 4.061 0.182 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.435 4.530 0.304 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.102 5.735 0.367 0.50 0.00 H new ATOM 0 HA BTRP A 11 -11.931 6.041 0.242 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.740 2.794 0.560 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.469 3.051 0.436 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.110 3.289 0.151 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.924 3.840 0.684 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.620 3.357 3.065 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.410 3.553 2.363 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.381 3.942 5.261 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.181 4.080 4.884 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.061 4.528 1.069 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.500 4.968 2.389 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.797 4.780 5.995 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.150 4.974 6.614 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.250 5.217 2.587 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.480 5.654 4.522 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.613 5.337 5.018 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.790 5.651 6.608 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.031 5.167 -1.893 0.50 0.00 N ATOM 224 N BGLU A 12 -11.027 5.426 -2.000 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.600 5.155 -3.287 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.608 5.243 -3.385 0.50 0.00 C ATOM 227 C AGLU A 12 -10.244 4.470 -3.431 0.50 0.00 C ATOM 228 C BGLU A 12 -9.301 4.459 -3.457 0.50 0.00 C ATOM 229 O AGLU A 12 -9.241 4.930 -2.886 0.50 0.00 O ATOM 230 O BGLU A 12 -8.397 4.658 -2.646 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.523 6.582 -3.832 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.442 6.598 -4.074 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.208 6.651 -5.318 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.580 7.566 -3.798 0.50 0.00 C ATOM 235 CD AGLU A 12 -10.940 8.065 -5.792 0.50 0.00 C ATOM 236 CD BGLU A 12 -11.857 8.491 -4.967 0.50 0.00 C ATOM 237 OE1AGLU A 12 -11.497 8.454 -6.840 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.146 9.683 -4.725 0.50 0.00 O ATOM 239 OE2AGLU A 12 -10.172 8.782 -5.118 0.50 0.00 O ATOM 240 OE2BGLU A 12 -11.782 8.026 -6.123 0.50 0.00 O ATOM 0 H AGLU A 12 -11.322 5.489 -1.234 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.401 6.007 -1.443 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.335 4.593 -3.863 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.382 4.675 -3.901 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.473 7.084 -3.647 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -9.505 7.050 -3.747 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.759 7.131 -3.282 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.362 6.442 -5.150 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.338 6.030 -5.530 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.483 7.002 -3.564 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.043 6.235 -5.882 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.339 8.162 -2.917 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.223 3.364 -4.169 0.50 0.00 N ATOM 254 N BLYS A 13 -9.209 3.566 -4.437 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.991 2.614 -4.386 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.013 2.750 -4.619 0.50 0.00 C ATOM 257 C ALYS A 13 -8.131 3.278 -5.457 0.50 0.00 C ATOM 258 C BLYS A 13 -7.186 3.254 -5.796 0.50 0.00 C ATOM 259 O ALYS A 13 -8.464 3.247 -6.642 0.50 0.00 O ATOM 260 O BLYS A 13 -7.631 3.207 -6.944 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.313 1.175 -4.797 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.397 1.285 -4.839 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.084 0.299 -4.956 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.239 0.416 -5.297 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.709 0.121 -6.417 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.420 -0.040 -6.736 0.50 0.00 C ATOM 267 CE ALYS A 13 -6.325 -0.492 -6.568 0.50 0.00 C ATOM 268 CE BLYS A 13 -6.865 -1.441 -6.950 0.50 0.00 C ATOM 269 NZ ALYS A 13 -6.223 -1.337 -7.790 0.50 0.00 N ATOM 270 NZ BLYS A 13 -5.460 -1.410 -7.442 0.50 0.00 N ATOM 0 H ALYS A 13 -11.044 2.968 -4.626 0.50 0.00 H new ATOM 0 H BLYS A 13 -9.948 3.389 -5.117 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.432 2.603 -3.451 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.410 2.827 -3.715 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.971 0.731 -4.050 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -8.799 0.880 -3.910 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.863 1.189 -5.738 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.194 1.234 -5.581 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.248 0.743 -4.417 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.306 0.973 -5.205 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -8.271 -0.676 -4.506 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -7.156 -0.454 -4.646 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.445 -0.516 -6.907 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.479 -0.024 -6.994 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -7.737 1.087 -6.921 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -6.918 0.658 -7.406 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -5.579 0.302 -6.612 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.910 -1.997 -6.013 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.097 -1.095 -5.689 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -7.490 -1.974 -7.667 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -5.265 -1.736 -7.857 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -4.896 -2.117 -6.928 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -6.917 -2.109 -7.737 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -5.443 -1.627 -8.459 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -6.415 -0.756 -8.631 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -5.057 -0.464 -7.284 0.50 0.00 H new ATOM 297 N AARG A 14 -7.024 3.878 -5.031 0.50 0.00 N ATOM 298 N BARG A 14 -5.980 3.733 -5.507 0.50 0.00 N ATOM 299 CA AARG A 14 -6.117 4.549 -5.954 0.50 0.00 C ATOM 300 CA BARG A 14 -5.091 4.244 -6.544 0.50 0.00 C ATOM 301 C AARG A 14 -4.807 3.778 -6.086 0.50 0.00 C ATOM 302 C BARG A 14 -3.707 3.610 -6.434 0.50 0.00 C ATOM 303 O AARG A 14 -4.522 2.878 -5.297 0.50 0.00 O ATOM 304 O BARG A 14 -3.269 3.239 -5.345 0.50 0.00 O ATOM 305 CB AARG A 14 -5.835 5.976 -5.478 0.50 0.00 C ATOM 306 CB BARG A 14 -4.978 5.765 -6.443 0.50 0.00 C ATOM 307 CG AARG A 14 -7.089 6.806 -5.265 0.50 0.00 C ATOM 308 CG BARG A 14 -6.288 6.452 -6.095 0.50 0.00 C ATOM 309 CD AARG A 14 -7.262 7.845 -6.361 0.50 0.00 C ATOM 310 CD BARG A 14 -6.543 7.651 -6.996 0.50 0.00 C ATOM 311 NE AARG A 14 -7.373 7.234 -7.683 0.50 0.00 N ATOM 312 NE BARG A 14 -7.859 8.241 -6.762 0.50 0.00 N ATOM 313 CZ AARG A 14 -7.936 7.833 -8.726 0.50 0.00 C ATOM 314 CZ BARG A 14 -8.503 8.980 -7.658 0.50 0.00 C ATOM 315 NH1AARG A 14 -8.438 9.054 -8.601 0.50 0.00 N ATOM 316 NH1BARG A 14 -7.956 9.217 -8.842 0.50 0.00 N ATOM 317 NH2AARG A 14 -7.997 7.211 -9.897 0.50 0.00 N ATOM 318 NH2BARG A 14 -9.697 9.482 -7.372 0.50 0.00 N ATOM 0 H AARG A 14 -6.734 3.913 -4.054 0.50 0.00 H new ATOM 0 H BARG A 14 -5.596 3.778 -4.563 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.597 4.587 -6.932 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.515 3.982 -7.514 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.274 5.934 -4.544 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.234 6.016 -5.687 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.199 6.475 -6.209 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.613 6.157 -7.392 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.960 6.151 -5.242 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.109 5.742 -6.191 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.038 7.303 -4.296 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.266 6.775 -5.054 0.50 0.00 H new ATOM 0 HD2AARG A 14 -8.154 8.438 -6.160 0.50 0.00 H new ATOM 0 HD2BARG A 14 -5.773 8.403 -6.825 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.414 8.530 -6.348 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.463 7.344 -8.039 0.50 0.00 H new ATOM 0 HE AARG A 14 -6.997 6.295 -7.812 0.50 0.00 H new ATOM 0 HE BARG A 14 -8.308 8.076 -5.861 0.50 0.00 H new ATOM 0 HH11AARG A 14 -8.392 9.535 -7.703 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.039 8.831 -9.066 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.870 9.512 -9.403 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.452 9.785 -9.529 0.50 0.00 H new ATOM 0 HH21AARG A 14 -7.611 6.272 -9.996 0.50 0.00 H new ATOM 0 HH21BARG A 14 -10.122 9.301 -6.463 0.50 0.00 H new ATOM 0 HH22AARG A 14 -8.430 7.672 -10.697 0.50 0.00 H new ATOM 0 HH22BARG A 14 -10.190 10.049 -8.061 0.50 0.00 H new ATOM 345 N AMET A 15 -4.014 4.135 -7.092 0.50 0.00 N ATOM 346 N BMET A 15 -3.025 3.491 -7.569 0.50 0.00 N ATOM 347 CA AMET A 15 -2.735 3.477 -7.327 0.50 0.00 C ATOM 348 CA BMET A 15 -1.691 2.903 -7.598 0.50 0.00 C ATOM 349 C AMET A 15 -1.633 4.502 -7.578 0.50 0.00 C ATOM 350 C BMET A 15 -0.635 3.966 -7.875 0.50 0.00 C ATOM 351 O AMET A 15 -1.895 5.600 -8.070 0.50 0.00 O ATOM 352 O BMET A 15 -0.520 4.466 -8.993 0.50 0.00 O ATOM 353 CB AMET A 15 -2.840 2.521 -8.517 0.50 0.00 C ATOM 354 CB BMET A 15 -1.618 1.806 -8.663 0.50 0.00 C ATOM 355 CG AMET A 15 -2.001 1.264 -8.363 0.50 0.00 C ATOM 356 CG BMET A 15 -1.031 0.502 -8.151 0.50 0.00 C ATOM 357 SD AMET A 15 -0.622 1.201 -9.523 0.50 0.00 S ATOM 358 SD BMET A 15 -2.266 -0.804 -7.999 0.50 0.00 S ATOM 359 CE AMET A 15 -0.782 -0.469 -10.150 0.50 0.00 C ATOM 360 CE BMET A 15 -2.024 -1.680 -9.541 0.50 0.00 C ATOM 0 H AMET A 15 -4.235 4.876 -7.757 0.50 0.00 H new ATOM 0 H BMET A 15 -3.374 3.793 -8.479 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.479 2.907 -6.434 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.492 2.465 -6.620 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.883 2.237 -8.653 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.620 1.618 -9.048 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.532 3.045 -9.422 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.017 2.162 -9.499 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.616 1.211 -7.344 0.50 0.00 H new ATOM 0 HG2BMET A 15 -0.242 0.173 -8.827 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.634 0.389 -8.510 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.568 0.673 -7.179 0.50 0.00 H new ATOM 0 HE1AMET A 15 0.004 -0.660 -10.881 0.50 0.00 H new ATOM 0 HE1BMET A 15 -2.718 -2.519 -9.596 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.691 -1.177 -9.326 0.50 0.00 H new ATOM 0 HE2BMET A 15 -2.206 -1.004 -10.376 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.756 -0.588 -10.625 0.50 0.00 H new ATOM 0 HE3BMET A 15 -1.001 -2.052 -9.591 0.50 0.00 H new ATOM 379 N ASER A 16 -0.402 4.137 -7.237 0.50 0.00 N ATOM 380 N BSER A 16 0.137 4.311 -6.848 0.50 0.00 N ATOM 381 CA ASER A 16 0.739 5.026 -7.422 0.50 0.00 C ATOM 382 CA BSER A 16 1.180 5.319 -6.978 0.50 0.00 C ATOM 383 C ASER A 16 1.441 4.740 -8.745 0.50 0.00 C ATOM 384 C BSER A 16 2.333 4.800 -7.837 0.50 0.00 C ATOM 385 O ASER A 16 1.329 3.645 -9.297 0.50 0.00 O ATOM 386 O BSER A 16 3.118 3.959 -7.400 0.50 0.00 O ATOM 387 CB ASER A 16 1.725 4.873 -6.264 0.50 0.00 C ATOM 388 CB BSER A 16 1.703 5.727 -5.599 0.50 0.00 C ATOM 389 OG ASER A 16 1.287 5.589 -5.122 0.50 0.00 O ATOM 390 OG BSER A 16 1.545 7.118 -5.386 0.50 0.00 O ATOM 0 H ASER A 16 -0.169 3.231 -6.831 0.50 0.00 H new ATOM 0 H BSER A 16 0.058 3.905 -5.916 0.50 0.00 H new ATOM 0 HA ASER A 16 0.370 6.051 -7.441 0.50 0.00 H new ATOM 0 HA BSER A 16 0.747 6.192 -7.467 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.837 3.818 -6.015 0.50 0.00 H new ATOM 0 HB2BSER A 16 1.169 5.174 -4.826 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.707 5.234 -6.569 0.50 0.00 H new ATOM 0 HB3BSER A 16 2.756 5.460 -5.512 0.50 0.00 H new ATOM 0 HG ASER A 16 0.308 5.583 -5.088 0.50 0.00 H new ATOM 0 HG BSER A 16 1.885 7.354 -4.498 0.50 0.00 H new ATOM 401 N AARG A 17 2.168 5.732 -9.250 0.50 0.00 N ATOM 402 N BARG A 17 2.422 5.308 -9.062 0.50 0.00 N ATOM 403 CA AARG A 17 2.889 5.589 -10.508 0.50 0.00 C ATOM 404 CA BARG A 17 3.474 4.897 -9.983 0.50 0.00 C ATOM 405 C AARG A 17 4.386 5.803 -10.305 0.50 0.00 C ATOM 406 C BARG A 17 4.852 5.069 -9.347 0.50 0.00 C ATOM 407 O AARG A 17 5.032 6.511 -11.075 0.50 0.00 O ATOM 408 O BARG A 17 4.973 5.568 -8.229 0.50 0.00 O ATOM 409 CB AARG A 17 2.357 6.584 -11.542 0.50 0.00 C ATOM 410 CB BARG A 17 3.396 5.707 -11.278 0.50 0.00 C ATOM 411 CG AARG A 17 0.854 6.500 -11.751 0.50 0.00 C ATOM 412 CG BARG A 17 3.839 7.153 -11.119 0.50 0.00 C ATOM 413 CD AARG A 17 0.298 7.793 -12.324 0.50 0.00 C ATOM 414 CD BARG A 17 2.961 8.097 -11.925 0.50 0.00 C ATOM 415 NE AARG A 17 1.105 8.295 -13.432 0.50 0.00 N ATOM 416 NE BARG A 17 1.556 8.000 -11.539 0.50 0.00 N ATOM 417 CZ AARG A 17 1.089 9.558 -13.842 0.50 0.00 C ATOM 418 CZ BARG A 17 0.555 8.446 -12.291 0.50 0.00 C ATOM 419 NH1AARG A 17 0.310 10.444 -13.238 0.50 0.00 N ATOM 420 NH1BARG A 17 0.803 9.013 -13.461 0.50 0.00 N ATOM 421 NH2AARG A 17 1.853 9.937 -14.858 0.50 0.00 N ATOM 422 NH2BARG A 17 -0.698 8.320 -11.869 0.50 0.00 N ATOM 0 H AARG A 17 2.273 6.644 -8.806 0.50 0.00 H new ATOM 0 H BARG A 17 1.779 6.004 -9.439 0.50 0.00 H new ATOM 0 HA AARG A 17 2.731 4.575 -10.874 0.50 0.00 H new ATOM 0 HA BARG A 17 3.326 3.842 -10.213 0.50 0.00 H new ATOM 0 HB2AARG A 17 2.616 7.595 -11.227 0.50 0.00 H new ATOM 0 HB2BARG A 17 4.016 5.227 -12.035 0.50 0.00 H new ATOM 0 HB3AARG A 17 2.858 6.408 -12.494 0.50 0.00 H new ATOM 0 HB3BARG A 17 2.371 5.688 -11.647 0.50 0.00 H new ATOM 0 HG2AARG A 17 0.625 5.674 -12.425 0.50 0.00 H new ATOM 0 HG2BARG A 17 3.804 7.432 -10.066 0.50 0.00 H new ATOM 0 HG3AARG A 17 0.365 6.282 -10.801 0.50 0.00 H new ATOM 0 HG3BARG A 17 4.875 7.255 -11.441 0.50 0.00 H new ATOM 0 HD2AARG A 17 -0.724 7.627 -12.666 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.306 9.121 -11.785 0.50 0.00 H new ATOM 0 HD3AARG A 17 0.253 8.547 -11.538 0.50 0.00 H new ATOM 0 HD3BARG A 17 3.062 7.869 -12.986 0.50 0.00 H new ATOM 0 HE AARG A 17 1.716 7.639 -13.919 0.50 0.00 H new ATOM 0 HE BARG A 17 1.331 7.566 -10.644 0.50 0.00 H new ATOM 0 HH11AARG A 17 -0.279 10.156 -12.456 0.50 0.00 H new ATOM 0 HH11BARG A 17 1.764 9.109 -13.788 0.50 0.00 H new ATOM 0 HH12AARG A 17 0.299 11.414 -13.555 0.50 0.00 H new ATOM 0 HH12BARG A 17 0.033 9.354 -14.036 0.50 0.00 H new ATOM 0 HH21AARG A 17 2.454 9.258 -15.325 0.50 0.00 H new ATOM 0 HH21BARG A 17 -0.891 7.881 -10.969 0.50 0.00 H new ATOM 0 HH22AARG A 17 1.840 10.907 -15.172 0.50 0.00 H new ATOM 0 HH22BARG A 17 -1.467 8.662 -12.445 0.50 0.00 H new ATOM 449 N AASN A 18 4.930 5.186 -9.260 0.50 0.00 N ATOM 450 N BASN A 18 5.888 4.650 -10.069 0.50 0.00 N ATOM 451 CA AASN A 18 6.351 5.309 -8.954 0.50 0.00 C ATOM 452 CA BASN A 18 7.255 4.757 -9.574 0.50 0.00 C ATOM 453 C AASN A 18 6.841 4.103 -8.159 0.50 0.00 C ATOM 454 C BASN A 18 7.404 4.057 -8.227 0.50 0.00 C ATOM 455 O AASN A 18 7.784 3.422 -8.562 0.50 0.00 O ATOM 456 O BASN A 18 8.289 4.387 -7.438 0.50 0.00 O ATOM 457 CB AASN A 18 6.614 6.595 -8.168 0.50 0.00 C ATOM 458 CB BASN A 18 7.661 6.227 -9.444 0.50 0.00 C ATOM 459 CG AASN A 18 7.735 7.420 -8.769 0.50 0.00 C ATOM 460 CG BASN A 18 8.916 6.551 -10.229 0.50 0.00 C ATOM 461 OD1AASN A 18 7.539 8.122 -9.763 0.50 0.00 O ATOM 462 OD1BASN A 18 9.872 5.776 -10.240 0.50 0.00 O ATOM 463 ND2AASN A 18 8.916 7.342 -8.170 0.50 0.00 N ATOM 464 ND2BASN A 18 8.920 7.703 -10.890 0.50 0.00 N ATOM 0 H AASN A 18 4.408 4.596 -8.611 0.50 0.00 H new ATOM 0 H BASN A 18 5.806 4.234 -10.997 0.50 0.00 H new ATOM 0 HA AASN A 18 6.900 5.348 -9.895 0.50 0.00 H new ATOM 0 HA BASN A 18 7.912 4.267 -10.293 0.50 0.00 H new ATOM 0 HB2AASN A 18 5.703 7.192 -8.138 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.844 6.859 -9.793 0.50 0.00 H new ATOM 0 HB3AASN A 18 6.864 6.343 -7.137 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.822 6.465 -8.393 0.50 0.00 H new ATOM 0 HD21AASN A 18 9.707 7.876 -8.530 0.50 0.00 H new ATOM 0 HD21BASN A 18 9.738 7.976 -11.435 0.50 0.00 H new ATOM 0 HD22AASN A 18 9.033 6.748 -7.349 0.50 0.00 H new ATOM 0 HD22BASN A 18 8.105 8.315 -10.853 0.50 0.00 H new ATOM 477 N ASER A 19 6.196 3.846 -7.026 0.50 0.00 N ATOM 478 N BSER A 19 6.530 3.088 -7.970 0.50 0.00 N ATOM 479 CA ASER A 19 6.569 2.724 -6.172 0.50 0.00 C ATOM 480 CA BSER A 19 6.561 2.342 -6.717 0.50 0.00 C ATOM 481 C ASER A 19 5.752 1.482 -6.517 0.50 0.00 C ATOM 482 C BSER A 19 5.505 1.241 -6.713 0.50 0.00 C ATOM 483 O ASER A 19 6.211 0.355 -6.337 0.50 0.00 O ATOM 484 O BSER A 19 5.718 0.162 -6.163 0.50 0.00 O ATOM 485 CB ASER A 19 6.367 3.088 -4.699 0.50 0.00 C ATOM 486 CB BSER A 19 6.336 3.285 -5.534 0.50 0.00 C ATOM 487 OG ASER A 19 4.989 3.193 -4.384 0.50 0.00 O ATOM 488 OG BSER A 19 5.065 3.907 -5.610 0.50 0.00 O ATOM 0 H ASER A 19 5.413 4.399 -6.678 0.50 0.00 H new ATOM 0 H BSER A 19 5.792 2.801 -8.613 0.50 0.00 H new ATOM 0 HA ASER A 19 7.622 2.503 -6.344 0.50 0.00 H new ATOM 0 HA BSER A 19 7.543 1.878 -6.622 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.831 2.331 -4.067 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.416 2.728 -4.601 0.50 0.00 H new ATOM 0 HB3ASER A 19 6.866 4.033 -4.483 0.50 0.00 H new ATOM 0 HB3BSER A 19 7.116 4.046 -5.519 0.50 0.00 H new ATOM 0 HG ASER A 19 4.824 4.038 -3.916 0.50 0.00 H new ATOM 0 HG BSER A 19 4.720 3.836 -6.525 0.50 0.00 H new ATOM 499 N AGLY A 20 4.539 1.700 -7.015 0.50 0.00 N ATOM 500 N BGLY A 20 4.362 1.524 -7.332 0.50 0.00 N ATOM 501 CA AGLY A 20 3.677 0.590 -7.378 0.50 0.00 C ATOM 502 CA BGLY A 20 3.288 0.550 -7.389 0.50 0.00 C ATOM 503 C AGLY A 20 2.745 0.188 -6.251 0.50 0.00 C ATOM 504 C BGLY A 20 2.803 0.140 -6.012 0.50 0.00 C ATOM 505 O AGLY A 20 1.668 -0.358 -6.492 0.50 0.00 O ATOM 506 O BGLY A 20 2.716 -1.048 -5.706 0.50 0.00 O ATOM 0 H AGLY A 20 4.138 2.624 -7.174 0.50 0.00 H new ATOM 0 H BGLY A 20 4.161 2.411 -7.795 0.50 0.00 H new ATOM 0 HA2AGLY A 20 3.087 0.863 -8.253 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.455 0.965 -7.956 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.291 -0.265 -7.661 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.631 -0.333 -7.928 0.50 0.00 H new ATOM 513 N AARG A 21 3.159 0.456 -5.018 0.50 0.00 N ATOM 514 N BARG A 21 2.488 1.128 -5.180 0.50 0.00 N ATOM 515 CA AARG A 21 2.356 0.116 -3.851 0.50 0.00 C ATOM 516 CA BARG A 21 2.011 0.864 -3.828 0.50 0.00 C ATOM 517 C AARG A 21 0.935 0.656 -3.993 0.50 0.00 C ATOM 518 C BARG A 21 0.546 1.261 -3.680 0.50 0.00 C ATOM 519 O AARG A 21 0.667 1.511 -4.836 0.50 0.00 O ATOM 520 O BARG A 21 0.233 2.375 -3.253 0.50 0.00 O ATOM 521 CB AARG A 21 3.000 0.673 -2.581 0.50 0.00 C ATOM 522 CB BARG A 21 2.862 1.622 -2.808 0.50 0.00 C ATOM 523 CG AARG A 21 4.091 -0.218 -2.008 0.50 0.00 C ATOM 524 CG BARG A 21 3.719 0.718 -1.936 0.50 0.00 C ATOM 525 CD AARG A 21 5.167 0.597 -1.308 0.50 0.00 C ATOM 526 CD BARG A 21 5.097 1.315 -1.701 0.50 0.00 C ATOM 527 NE AARG A 21 4.640 1.318 -0.152 0.50 0.00 N ATOM 528 NE BARG A 21 5.048 2.474 -0.812 0.50 0.00 N ATOM 529 CZ AARG A 21 4.290 2.599 -0.182 0.50 0.00 C ATOM 530 CZ BARG A 21 5.065 3.731 -1.241 0.50 0.00 C ATOM 531 NH1AARG A 21 4.408 3.296 -1.304 0.50 0.00 N ATOM 532 NH1BARG A 21 5.130 3.990 -2.540 0.50 0.00 N ATOM 533 NH2AARG A 21 3.819 3.185 0.911 0.50 0.00 N ATOM 534 NH2BARG A 21 5.017 4.730 -0.372 0.50 0.00 N ATOM 0 H AARG A 21 4.047 0.908 -4.801 0.50 0.00 H new ATOM 0 H BARG A 21 2.555 2.117 -5.419 0.50 0.00 H new ATOM 0 HA AARG A 21 2.308 -0.971 -3.779 0.50 0.00 H new ATOM 0 HA BARG A 21 2.099 -0.206 -3.641 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.421 1.654 -2.798 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.509 2.322 -3.336 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.227 0.818 -1.826 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.207 2.214 -2.169 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.652 -0.924 -1.303 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.223 0.557 -0.979 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.541 -0.805 -2.809 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.820 -0.258 -2.411 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.972 -0.064 -0.987 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.752 0.557 -1.272 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.600 1.307 -2.012 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.532 1.609 -2.656 0.50 0.00 H new ATOM 0 HE AARG A 21 4.535 0.810 0.726 0.50 0.00 H new ATOM 0 HE BARG A 21 4.998 2.309 0.193 0.50 0.00 H new ATOM 0 HH11AARG A 21 4.768 2.849 -2.147 0.50 0.00 H new ATOM 0 HH11BARG A 21 5.167 3.223 -3.212 0.50 0.00 H new ATOM 0 HH12AARG A 21 4.138 4.280 -1.324 0.50 0.00 H new ATOM 0 HH12BARG A 21 5.143 4.956 -2.867 0.50 0.00 H new ATOM 0 HH21AARG A 21 3.725 2.652 1.775 0.50 0.00 H new ATOM 0 HH21BARG A 21 4.967 4.534 0.628 0.50 0.00 H new ATOM 0 HH22AARG A 21 3.551 4.169 0.887 0.50 0.00 H new ATOM 0 HH22BARG A 21 5.030 5.695 -0.703 0.50 0.00 H new ATOM 561 N AVAL A 22 0.029 0.150 -3.162 0.50 0.00 N ATOM 562 N BVAL A 22 -0.349 0.347 -4.036 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.363 0.581 -3.193 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.783 0.602 -3.943 0.50 0.00 C ATOM 565 C AVAL A 22 -1.690 1.470 -1.999 0.50 0.00 C ATOM 566 C BVAL A 22 -2.181 0.983 -2.522 0.50 0.00 C ATOM 567 O AVAL A 22 -1.246 1.213 -0.880 0.50 0.00 O ATOM 568 O BVAL A 22 -1.666 0.428 -1.551 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.324 -0.624 -3.201 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.600 -0.627 -4.382 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.770 -0.153 -3.194 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.682 -1.646 -3.256 0.50 0.00 C ATOM 573 CG2AVAL A 22 -2.050 -1.515 -4.403 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.991 -0.207 -4.834 0.50 0.00 C ATOM 0 H AVAL A 22 0.235 -0.559 -2.459 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.108 -0.578 -4.392 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.498 1.150 -4.113 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.002 1.433 -4.614 0.50 0.00 H new ATOM 0 HB AVAL A 22 -2.154 -1.209 -2.298 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.093 -1.095 -5.226 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.434 -1.017 -3.200 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.263 -2.507 -3.586 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.955 0.441 -2.299 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.677 -1.969 -2.984 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -3.959 0.456 -4.078 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.164 -1.193 -2.390 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.737 -2.361 -4.393 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.555 -1.088 -5.141 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.192 -0.943 -5.320 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.508 0.286 -4.011 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -1.024 -1.881 -4.359 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -3.908 0.482 -5.675 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.469 2.517 -2.245 0.50 0.00 N ATOM 594 N BTYR A 23 -3.103 1.933 -2.408 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.855 3.448 -1.191 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.571 2.391 -1.104 0.50 0.00 C ATOM 597 C ATYR A 23 -4.327 3.832 -1.314 0.50 0.00 C ATOM 598 C BTYR A 23 -5.033 2.820 -1.171 0.50 0.00 C ATOM 599 O ATYR A 23 -4.854 3.967 -2.418 0.50 0.00 O ATOM 600 O BTYR A 23 -5.635 2.850 -2.243 0.50 0.00 O ATOM 601 CB ATYR A 23 -1.983 4.703 -1.245 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.707 3.552 -0.610 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.344 5.644 -2.372 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.751 4.765 -1.511 0.50 0.00 C ATOM 605 CD1ATYR A 23 -1.725 5.542 -3.613 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.554 5.857 -1.204 0.50 0.00 C ATOM 607 CD2ATYR A 23 -3.302 6.634 -2.198 0.50 0.00 C ATOM 608 CD2BTYR A 23 -1.989 4.821 -2.671 0.50 0.00 C ATOM 609 CE1ATYR A 23 -2.051 6.400 -4.645 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.597 6.966 -2.026 0.50 0.00 C ATOM 611 CE2ATYR A 23 -3.635 7.494 -3.225 0.50 0.00 C ATOM 612 CE2BTYR A 23 -2.023 5.926 -3.497 0.50 0.00 C ATOM 613 CZ ATYR A 23 -3.007 7.374 -4.447 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.829 6.997 -3.172 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.335 8.230 -5.473 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.869 8.101 -3.993 0.50 0.00 O ATOM 0 H ATYR A 23 -2.846 2.743 -3.166 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.541 2.401 -3.202 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.707 2.952 -0.232 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.488 1.561 -0.402 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.068 5.235 -0.298 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.036 3.839 0.389 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -0.940 4.406 -1.351 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.675 3.213 -0.521 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -0.977 4.779 -3.772 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -4.155 5.838 -0.307 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -3.795 6.733 -1.242 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.358 3.984 -2.931 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -1.560 6.309 -5.602 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.229 7.805 -1.773 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -4.384 8.257 -3.072 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.421 5.952 -4.394 0.50 0.00 H new ATOM 0 HH ATYR A 23 -4.026 8.855 -5.169 0.50 0.00 H new ATOM 0 HH BTYR A 23 -2.270 7.963 -4.756 0.50 0.00 H new ATOM 635 N ATYR A 24 -4.983 4.007 -0.173 0.50 0.00 N ATOM 636 N BTYR A 24 -5.597 3.152 -0.015 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.394 4.373 -0.152 0.50 0.00 C ATOM 638 CA BTYR A 24 -6.989 3.578 0.061 0.50 0.00 C ATOM 639 C ATYR A 24 -6.574 5.821 0.296 0.50 0.00 C ATOM 640 C BTYR A 24 -7.099 4.976 0.660 0.50 0.00 C ATOM 641 O ATYR A 24 -5.740 6.368 1.017 0.50 0.00 O ATOM 642 O BTYR A 24 -6.673 5.216 1.790 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.171 3.439 0.777 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.803 2.587 0.896 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.008 1.975 0.440 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.923 1.218 0.266 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.386 1.483 -0.804 0.50 0.00 C ATOM 648 CD1BTYR A 24 -9.037 0.875 -0.491 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.478 1.084 1.363 0.50 0.00 C ATOM 650 CD2BTYR A 24 -6.922 0.267 0.427 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.240 0.146 -1.118 0.50 0.00 C ATOM 652 CE1BTYR A 24 -9.150 -0.375 -1.069 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.326 -0.256 1.057 0.50 0.00 C ATOM 654 CE2BTYR A 24 -7.026 -0.984 -0.148 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.709 -0.719 -0.184 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.142 -1.301 -0.894 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.562 -2.053 -0.491 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.250 -2.548 -1.468 0.50 0.00 O ATOM 0 H ATYR A 24 -4.561 3.901 0.749 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.112 3.134 0.882 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.785 4.274 -1.165 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.390 3.604 -0.952 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -6.843 3.605 1.803 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.340 2.486 1.878 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.229 3.697 0.735 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.802 2.993 1.055 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.801 2.158 -1.538 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.828 1.598 -0.630 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.179 1.443 2.337 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -6.048 0.511 1.012 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.540 -0.220 -2.089 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -10.022 -0.626 -1.654 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -5.910 -0.936 1.786 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.238 -1.710 -0.014 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.173 -2.524 0.275 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.456 -3.079 -1.249 0.50 0.00 H new ATOM 677 N APHE A 25 -7.670 6.435 -0.137 0.50 0.00 N ATOM 678 N BPHE A 25 -7.676 5.897 -0.105 0.50 0.00 N ATOM 679 CA APHE A 25 -7.962 7.819 0.218 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.844 7.273 0.349 0.50 0.00 C ATOM 681 C APHE A 25 -9.444 8.000 0.530 0.50 0.00 C ATOM 682 C BPHE A 25 -9.314 7.680 0.321 0.50 0.00 C ATOM 683 O APHE A 25 -10.299 7.815 -0.335 0.50 0.00 O ATOM 684 O BPHE A 25 -9.982 7.561 -0.705 0.50 0.00 O ATOM 685 CB APHE A 25 -7.549 8.756 -0.919 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.022 8.223 -0.525 0.50 0.00 C ATOM 687 CG APHE A 25 -6.872 10.012 -0.446 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.269 9.675 -0.228 0.50 0.00 C ATOM 689 CD1APHE A 25 -5.746 10.491 -1.093 0.50 0.00 C ATOM 690 CD1BPHE A 25 -7.959 10.473 -1.127 0.50 0.00 C ATOM 691 CD2APHE A 25 -7.363 10.709 0.645 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.811 10.242 0.951 0.50 0.00 C ATOM 693 CE1APHE A 25 -5.120 11.646 -0.661 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.188 11.808 -0.857 0.50 0.00 C ATOM 695 CE2APHE A 25 -6.742 11.865 1.082 0.50 0.00 C ATOM 696 CE2BPHE A 25 -7.038 11.578 1.226 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.618 12.333 0.429 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.726 12.362 0.322 0.50 0.00 C ATOM 0 H APHE A 25 -8.371 5.996 -0.734 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.035 5.716 -1.042 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.389 8.068 1.111 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.489 7.337 1.377 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.878 8.223 -1.593 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -5.963 8.007 -0.386 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.433 9.025 -1.497 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.252 8.030 -1.573 0.50 0.00 H new ATOM 0 HD1APHE A 25 -5.352 9.957 -1.945 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -8.322 10.046 -2.050 0.50 0.00 H new ATOM 0 HD2APHE A 25 -8.240 10.346 1.160 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -6.271 9.634 1.662 0.50 0.00 H new ATOM 0 HE1APHE A 25 -4.243 12.010 -1.175 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -8.727 12.418 -1.566 0.50 0.00 H new ATOM 0 HE2APHE A 25 -7.135 12.401 1.933 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.677 12.008 2.148 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.130 13.234 0.770 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -7.903 13.406 0.535 0.50 0.00 H new ATOM 717 N AASN A 26 -9.740 8.362 1.774 0.50 0.00 N ATOM 718 N BASN A 26 -9.810 8.160 1.455 0.50 0.00 N ATOM 719 CA AASN A 26 -11.119 8.567 2.202 0.50 0.00 C ATOM 720 CA BASN A 26 -11.201 8.585 1.563 0.50 0.00 C ATOM 721 C AASN A 26 -11.507 10.040 2.105 0.50 0.00 C ATOM 722 C BASN A 26 -11.293 10.077 1.863 0.50 0.00 C ATOM 723 O AASN A 26 -10.831 10.908 2.659 0.50 0.00 O ATOM 724 O BASN A 26 -10.860 10.538 2.920 0.50 0.00 O ATOM 725 CB AASN A 26 -11.308 8.073 3.638 0.50 0.00 C ATOM 726 CB BASN A 26 -11.916 7.789 2.657 0.50 0.00 C ATOM 727 CG AASN A 26 -12.771 7.980 4.030 0.50 0.00 C ATOM 728 CG BASN A 26 -13.380 8.161 2.780 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.179 8.495 5.072 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.890 8.981 2.016 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.566 7.322 3.195 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.066 7.559 3.746 0.50 0.00 N ATOM 0 H AASN A 26 -9.044 8.519 2.503 0.50 0.00 H new ATOM 0 H BASN A 26 -9.269 8.265 2.314 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.767 7.994 1.539 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.688 8.394 0.606 0.50 0.00 H new ATOM 0 HB2AASN A 26 -10.843 7.093 3.747 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.832 6.724 2.441 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.794 8.748 4.322 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.419 7.961 3.612 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.560 7.227 3.405 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.055 7.770 3.877 0.50 0.00 H new ATOM 0 HD22AASN A 26 -13.183 6.912 2.343 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.603 6.886 4.357 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.597 10.314 1.396 0.50 0.00 N ATOM 746 N BHIS A 27 -11.859 10.830 0.925 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.075 11.681 1.226 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.010 12.271 1.089 0.50 0.00 C ATOM 749 C AHIS A 27 -14.014 12.073 2.363 0.50 0.00 C ATOM 750 C BHIS A 27 -12.955 12.593 2.244 0.50 0.00 C ATOM 751 O AHIS A 27 -14.509 13.200 2.411 0.50 0.00 O ATOM 752 O BHIS A 27 -13.010 13.729 2.716 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.790 11.831 -0.116 0.50 0.00 C ATOM 754 CB BHIS A 27 -12.532 12.902 -0.203 0.50 0.00 C ATOM 755 CG AHIS A 27 -13.326 10.856 -1.155 0.50 0.00 C ATOM 756 CG BHIS A 27 -13.672 12.150 -0.817 0.50 0.00 C ATOM 757 ND1AHIS A 27 -12.105 10.957 -1.788 0.50 0.00 N ATOM 758 ND1BHIS A 27 -13.502 11.027 -1.597 0.50 0.00 N ATOM 759 CD2AHIS A 27 -13.926 9.756 -1.667 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.008 12.367 -0.760 0.50 0.00 C ATOM 761 CE1AHIS A 27 -11.975 9.962 -2.647 0.50 0.00 C ATOM 762 CE1BHIS A 27 -14.682 10.585 -1.995 0.50 0.00 C ATOM 763 NE2AHIS A 27 -13.066 9.218 -2.594 0.50 0.00 N ATOM 764 NE2BHIS A 27 -15.612 11.380 -1.499 0.50 0.00 N ATOM 0 H AHIS A 27 -13.166 9.607 0.930 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.221 10.466 0.043 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.212 12.346 1.245 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.030 12.688 1.319 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -14.862 11.704 0.037 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -12.851 13.924 0.004 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.639 12.845 -0.488 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -11.717 12.962 -0.924 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -11.411 11.686 -1.619 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.899 9.373 -1.397 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -15.505 13.167 -0.232 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -11.121 9.786 -3.285 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -14.856 9.721 -2.619 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -16.617 11.278 -1.642 0.50 0.00 H new ATOM 779 N AILE A 28 -14.253 11.138 3.276 0.50 0.00 N ATOM 780 N BILE A 28 -13.697 11.584 2.692 0.50 0.00 N ATOM 781 CA AILE A 28 -15.132 11.387 4.412 0.50 0.00 C ATOM 782 CA BILE A 28 -14.638 11.760 3.790 0.50 0.00 C ATOM 783 C AILE A 28 -14.333 11.780 5.649 0.50 0.00 C ATOM 784 C BILE A 28 -13.920 11.750 5.135 0.50 0.00 C ATOM 785 O AILE A 28 -14.720 12.684 6.392 0.50 0.00 O ATOM 786 O BILE A 28 -14.235 12.543 6.026 0.50 0.00 O ATOM 787 CB AILE A 28 -15.991 10.152 4.741 0.50 0.00 C ATOM 788 CB BILE A 28 -15.716 10.661 3.789 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.912 9.817 3.566 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.481 10.669 2.463 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.803 10.392 6.005 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.669 10.851 4.957 0.50 0.00 C ATOM 793 CD1AILE A 28 -17.901 8.713 3.869 0.50 0.00 C ATOM 794 CD1BILE A 28 -17.822 9.971 2.535 0.50 0.00 C ATOM 0 H AILE A 28 -13.850 10.201 3.251 0.50 0.00 H new ATOM 0 H BILE A 28 -13.664 10.638 2.311 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.788 12.210 4.129 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.117 12.728 3.643 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.329 9.303 4.914 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.227 9.693 3.900 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.459 10.714 3.276 0.50 0.00 H new ATOM 0 HG12BILE A 28 -16.634 11.701 2.147 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.304 9.524 2.710 0.50 0.00 H new ATOM 0 HG13BILE A 28 -15.871 10.189 1.698 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.405 9.510 6.224 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.425 10.066 4.941 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.129 10.587 6.839 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.112 10.800 5.893 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.458 11.251 5.859 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.155 11.824 4.876 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.521 8.529 2.992 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.308 10.015 1.560 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.361 7.803 4.130 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.675 8.929 2.820 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.534 9.011 4.704 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.450 10.465 3.276 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.213 11.097 5.865 0.50 0.00 N ATOM 818 N BTHR A 29 -12.953 10.850 5.280 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.357 11.376 7.012 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.190 10.738 6.515 0.50 0.00 C ATOM 821 C ATHR A 29 -10.985 11.868 6.568 0.50 0.00 C ATOM 822 C BTHR A 29 -11.029 11.726 6.536 0.50 0.00 C ATOM 823 O ATHR A 29 -10.069 11.995 7.379 0.50 0.00 O ATOM 824 O BTHR A 29 -10.526 12.083 7.602 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.181 10.127 7.897 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.638 9.312 6.708 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.672 9.040 7.115 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.862 8.930 5.568 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.502 9.724 8.535 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.771 8.318 6.913 0.50 0.00 C ATOM 0 H ATHR A 29 -12.877 10.347 5.261 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.680 10.187 4.555 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.849 12.157 7.591 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.875 10.968 7.331 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.472 10.368 8.689 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.006 9.307 7.596 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -12.398 8.652 6.582 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.736 7.958 5.569 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.352 8.840 9.155 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.358 7.318 7.047 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -13.872 10.542 9.153 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.343 8.596 7.798 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.230 9.501 7.755 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.425 8.327 6.041 0.50 0.00 H new ATOM 845 N AASN A 30 -10.851 12.145 5.275 0.50 0.00 N ATOM 846 N BASN A 30 -10.609 12.164 5.355 0.50 0.00 N ATOM 847 CA AASN A 30 -9.589 12.624 4.723 0.50 0.00 C ATOM 848 CA BASN A 30 -9.507 13.113 5.239 0.50 0.00 C ATOM 849 C AASN A 30 -8.416 11.811 5.261 0.50 0.00 C ATOM 850 C BASN A 30 -8.191 12.474 5.675 0.50 0.00 C ATOM 851 O AASN A 30 -7.311 12.328 5.422 0.50 0.00 O ATOM 852 O BASN A 30 -7.352 13.121 6.300 0.50 0.00 O ATOM 853 CB AASN A 30 -9.393 14.105 5.055 0.50 0.00 C ATOM 854 CB BASN A 30 -9.786 14.357 6.084 0.50 0.00 C ATOM 855 CG AASN A 30 -10.707 14.826 5.281 0.50 0.00 C ATOM 856 CG BASN A 30 -9.279 15.626 5.427 0.50 0.00 C ATOM 857 OD1AASN A 30 -10.922 15.438 6.327 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.972 16.644 5.400 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.597 14.756 4.296 0.50 0.00 N ATOM 860 ND2BASN A 30 -8.064 15.572 4.894 0.50 0.00 N ATOM 0 H AASN A 30 -11.600 12.046 4.590 0.50 0.00 H new ATOM 0 H BASN A 30 -11.014 11.878 4.464 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.625 12.503 3.640 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.421 13.405 4.192 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.774 14.195 5.948 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.859 14.443 6.256 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.852 14.588 4.242 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.315 14.243 7.060 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.500 15.221 4.391 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.670 16.395 4.439 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.377 14.237 3.446 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.525 14.707 4.940 0.50 0.00 H new ATOM 873 N AALA A 31 -8.665 10.535 5.537 0.50 0.00 N ATOM 874 N BALA A 31 -8.020 11.199 5.339 0.50 0.00 N ATOM 875 CA AALA A 31 -7.629 9.650 6.055 0.50 0.00 C ATOM 876 CA BALA A 31 -6.806 10.474 5.693 0.50 0.00 C ATOM 877 C AALA A 31 -7.012 8.814 4.938 0.50 0.00 C ATOM 878 C BALA A 31 -6.595 9.275 4.773 0.50 0.00 C ATOM 879 O AALA A 31 -7.675 8.492 3.952 0.50 0.00 O ATOM 880 O BALA A 31 -7.554 8.665 4.305 0.50 0.00 O ATOM 881 CB AALA A 31 -8.200 8.746 7.138 0.50 0.00 C ATOM 882 CB BALA A 31 -6.866 10.021 7.145 0.50 0.00 C ATOM 0 H AALA A 31 -9.575 10.091 5.411 0.50 0.00 H new ATOM 0 H BALA A 31 -8.706 10.648 4.823 0.50 0.00 H new ATOM 0 HA AALA A 31 -6.842 10.267 6.489 0.50 0.00 H new ATOM 0 HA BALA A 31 -5.960 11.150 5.568 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.415 8.090 7.516 0.50 0.00 H new ATOM 0 HB1BALA A 31 -5.953 9.481 7.396 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.587 9.356 7.954 0.50 0.00 H new ATOM 0 HB2BALA A 31 -6.963 10.891 7.794 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.007 8.143 6.721 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.726 9.366 7.287 0.50 0.00 H new ATOM 893 N ASER A 32 -5.739 8.468 5.098 0.50 0.00 N ATOM 894 N BSER A 32 -5.331 8.946 4.519 0.50 0.00 N ATOM 895 CA ASER A 32 -5.031 7.675 4.100 0.50 0.00 C ATOM 896 CA BSER A 32 -4.994 7.825 3.651 0.50 0.00 C ATOM 897 C ASER A 32 -4.220 6.566 4.763 0.50 0.00 C ATOM 898 C BSER A 32 -4.543 6.620 4.470 0.50 0.00 C ATOM 899 O ASER A 32 -3.598 6.776 5.804 0.50 0.00 O ATOM 900 O BSER A 32 -4.102 6.762 5.610 0.50 0.00 O ATOM 901 CB ASER A 32 -4.108 8.568 3.267 0.50 0.00 C ATOM 902 CB BSER A 32 -3.894 8.227 2.667 0.50 0.00 C ATOM 903 OG ASER A 32 -2.758 8.424 3.671 0.50 0.00 O ATOM 904 OG BSER A 32 -3.175 9.352 3.139 0.50 0.00 O ATOM 0 H ASER A 32 -5.177 8.724 5.909 0.50 0.00 H new ATOM 0 H BSER A 32 -4.525 9.440 4.902 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.772 7.218 3.444 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.888 7.549 3.092 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.204 8.312 2.212 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.211 7.391 2.519 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.413 9.609 3.371 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.335 8.454 1.696 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.189 9.004 3.123 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.477 9.588 2.493 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.232 5.386 4.151 0.50 0.00 N ATOM 916 N BGLN A 33 -4.662 5.434 3.882 0.50 0.00 N ATOM 917 CA AGLN A 33 -3.499 4.243 4.683 0.50 0.00 C ATOM 918 CA BGLN A 33 -4.266 4.203 4.557 0.50 0.00 C ATOM 919 C AGLN A 33 -3.310 3.173 3.613 0.50 0.00 C ATOM 920 C BGLN A 33 -3.899 3.121 3.548 0.50 0.00 C ATOM 921 O AGLN A 33 -3.993 3.177 2.590 0.50 0.00 O ATOM 922 O BGLN A 33 -4.554 2.972 2.517 0.50 0.00 O ATOM 923 CB AGLN A 33 -4.235 3.653 5.887 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.397 3.709 5.462 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.502 2.899 5.517 0.50 0.00 C ATOM 926 CG BGLN A 33 -4.932 3.317 6.857 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.147 2.221 6.708 0.50 0.00 C ATOM 928 CD BGLN A 33 -6.086 3.079 7.811 0.50 0.00 C ATOM 929 OE1AGLN A 33 -5.460 1.689 7.582 0.50 0.00 O ATOM 930 OE1BGLN A 33 -6.324 3.871 8.723 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.474 2.236 6.752 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.809 1.985 7.605 0.50 0.00 N ATOM 0 H AGLN A 33 -4.741 5.197 3.287 0.50 0.00 H new ATOM 0 H BGLN A 33 -5.029 5.299 2.940 0.50 0.00 H new ATOM 0 HA AGLN A 33 -2.516 4.590 5.002 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.388 4.418 5.166 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -3.563 2.979 6.418 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -6.152 4.491 5.546 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -4.490 4.458 6.577 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -5.878 2.850 4.993 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -6.214 3.592 5.069 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -4.326 2.413 6.793 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -5.267 2.150 4.761 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -4.291 4.103 7.257 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -8.004 2.688 6.007 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.575 1.357 6.836 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -7.963 1.796 7.531 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.598 1.773 8.215 0.50 0.00 H new ATOM 949 N APHE A 34 -2.378 2.257 3.858 0.50 0.00 N ATOM 950 N BPHE A 34 -2.845 2.369 3.851 0.50 0.00 N ATOM 951 CA APHE A 34 -2.098 1.181 2.915 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.390 1.302 2.969 0.50 0.00 C ATOM 953 C APHE A 34 -2.580 -0.160 3.461 0.50 0.00 C ATOM 954 C BPHE A 34 -3.275 0.066 3.106 0.50 0.00 C ATOM 955 O APHE A 34 -1.850 -1.150 3.434 0.50 0.00 O ATOM 956 O BPHE A 34 -3.555 -0.622 2.124 0.50 0.00 O ATOM 957 CB APHE A 34 -0.599 1.114 2.615 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.937 0.937 3.282 0.50 0.00 C ATOM 959 CG APHE A 34 0.086 2.448 2.682 0.50 0.00 C ATOM 960 CG BPHE A 34 0.048 1.992 2.863 0.50 0.00 C ATOM 961 CD1APHE A 34 1.191 2.635 3.496 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.698 2.768 3.809 0.50 0.00 C ATOM 963 CD2APHE A 34 -0.376 3.517 1.931 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.325 2.205 1.522 0.50 0.00 C ATOM 965 CE1APHE A 34 1.825 3.862 3.560 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.604 3.737 3.427 0.50 0.00 C ATOM 967 CE2APHE A 34 0.253 4.746 1.990 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.231 3.173 1.133 0.50 0.00 C ATOM 969 CZ APHE A 34 1.354 4.919 2.807 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.871 3.941 2.087 0.50 0.00 C ATOM 0 H APHE A 34 -1.804 2.239 4.701 0.50 0.00 H new ATOM 0 H BPHE A 34 -2.291 2.480 4.700 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.637 1.392 1.991 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.455 1.663 1.942 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.125 0.435 3.324 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.837 0.762 4.353 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.454 0.690 1.621 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.690 0.001 2.782 0.50 0.00 H new ATOM 0 HD1APHE A 34 1.562 1.812 4.088 0.50 0.00 H new ATOM 0 HD1BPHE A 34 0.493 2.613 4.858 0.50 0.00 H new ATOM 0 HD2APHE A 34 -1.237 3.388 1.292 0.50 0.00 H new ATOM 0 HD2BPHE A 34 -0.173 1.608 0.773 0.50 0.00 H new ATOM 0 HE1APHE A 34 2.687 3.993 4.198 0.50 0.00 H new ATOM 0 HE1BPHE A 34 2.104 4.335 4.175 0.50 0.00 H new ATOM 0 HE2APHE A 34 -0.116 5.571 1.398 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.439 3.329 0.085 0.50 0.00 H new ATOM 0 HZ APHE A 34 1.845 5.880 2.856 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.579 4.699 1.786 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.813 -0.182 3.958 0.50 0.00 N ATOM 990 N BGLU A 35 -3.716 -0.206 4.332 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.391 -1.401 4.512 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.569 -1.357 4.596 0.50 0.00 C ATOM 993 C AGLU A 35 -5.887 -1.473 4.223 0.50 0.00 C ATOM 994 C BGLU A 35 -6.021 -1.051 4.247 0.50 0.00 C ATOM 995 O AGLU A 35 -6.576 -0.453 4.200 0.50 0.00 O ATOM 996 O BGLU A 35 -6.411 0.111 4.133 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.148 -1.466 6.022 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.463 -1.770 6.066 0.50 0.00 C ATOM 999 CG AGLU A 35 -2.879 -2.210 6.403 0.50 0.00 C ATOM 1000 CG BGLU A 35 -3.033 -1.930 6.553 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.631 -1.368 6.217 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.439 -0.628 7.059 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -1.690 -0.152 6.497 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -3.195 0.182 7.635 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -0.597 -1.924 5.791 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -1.222 -0.420 6.877 0.50 0.00 O ATOM 0 H AGLU A 35 -4.430 0.630 3.988 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.496 0.355 5.155 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.905 -2.253 4.036 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.229 -2.180 3.968 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.097 -0.451 6.417 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.966 -1.024 6.681 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.000 -1.951 6.498 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.994 -2.711 6.209 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.947 -2.527 7.444 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -3.006 -2.672 7.351 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.797 -3.113 5.799 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.417 -2.314 5.740 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.384 -2.686 4.003 0.50 0.00 N ATOM 1020 N BARG A 36 -6.817 -2.102 4.076 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.797 -2.892 3.713 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.226 -1.946 3.735 0.50 0.00 C ATOM 1023 C AARG A 36 -8.673 -2.178 4.740 0.50 0.00 C ATOM 1024 C BARG A 36 -9.080 -1.829 4.995 0.50 0.00 C ATOM 1025 O AARG A 36 -8.769 -2.582 5.899 0.50 0.00 O ATOM 1026 O BARG A 36 -9.239 -2.782 5.758 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.125 -4.387 3.701 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.704 -3.130 2.893 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.453 -4.714 3.039 0.50 0.00 C ATOM 1030 CG BARG A 36 -10.119 -2.967 2.361 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.321 -4.776 1.525 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.843 -4.303 2.289 0.50 0.00 C ATOM 1033 NE AARG A 36 -9.714 -6.079 0.995 0.50 0.00 N ATOM 1034 NE BARG A 36 -9.944 -5.393 1.920 0.50 0.00 N ATOM 1035 CZ AARG A 36 -9.594 -6.417 -0.284 0.50 0.00 C ATOM 1036 CZ BARG A 36 -9.395 -5.519 0.717 0.50 0.00 C ATOM 1037 NH1AARG A 36 -9.094 -5.555 -1.158 0.50 0.00 N ATOM 1038 NH1BARG A 36 -9.653 -4.627 -0.229 0.50 0.00 N ATOM 1039 NH2AARG A 36 -9.974 -7.622 -0.691 0.50 0.00 N ATOM 1040 NH2BARG A 36 -8.588 -6.540 0.459 0.50 0.00 N ATOM 0 H AARG A 36 -5.828 -3.541 4.020 0.50 0.00 H new ATOM 0 H BARG A 36 -6.510 -3.070 4.168 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.004 -2.473 2.728 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.334 -1.029 3.155 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.329 -4.921 3.182 0.50 0.00 H new ATOM 0 HB2BARG A 36 -8.023 -3.266 2.053 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.140 -4.755 4.727 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.653 -4.037 3.495 0.50 0.00 H new ATOM 0 HG2AARG A 36 -9.821 -5.669 3.413 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.675 -2.285 3.004 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.191 -3.960 3.310 0.50 0.00 H new ATOM 0 HG3BARG A 36 -10.087 -2.515 1.370 0.50 0.00 H new ATOM 0 HD2AARG A 36 -9.940 -4.000 1.075 0.50 0.00 H new ATOM 0 HD2BARG A 36 -11.299 -4.521 3.255 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.290 -4.565 1.242 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.652 -4.238 1.561 0.50 0.00 H new ATOM 0 HE AARG A 36 -10.101 -6.766 1.642 0.50 0.00 H new ATOM 0 HE BARG A 36 -9.725 -6.097 2.625 0.50 0.00 H new ATOM 0 HH11AARG A 36 -8.800 -4.628 -0.849 0.50 0.00 H new ATOM 0 HH11BARG A 36 -10.274 -3.842 -0.034 0.50 0.00 H new ATOM 0 HH12AARG A 36 -9.003 -5.818 -2.139 0.50 0.00 H new ATOM 0 HH12BARG A 36 -9.230 -4.726 -1.152 0.50 0.00 H new ATOM 0 HH21AARG A 36 -10.358 -8.289 -0.022 0.50 0.00 H new ATOM 0 HH21BARG A 36 -8.389 -7.229 1.185 0.50 0.00 H new ATOM 0 HH22AARG A 36 -9.882 -7.881 -1.673 0.50 0.00 H new ATOM 0 HH22BARG A 36 -8.167 -6.636 -0.465 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.325 -1.090 4.306 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.642 -0.632 5.221 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.203 -0.296 5.171 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.488 -0.362 6.386 0.50 0.00 C ATOM 1071 C APRO A 37 -11.483 -1.039 5.535 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.827 -1.085 6.312 0.50 0.00 C ATOM 1073 O APRO A 37 -12.015 -1.809 4.734 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.379 -1.281 5.228 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.523 0.935 4.318 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.695 1.154 6.330 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.357 0.473 2.911 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.521 1.508 4.894 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.256 -0.550 2.938 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.494 0.550 4.354 0.50 0.00 C ATOM 0 HA APRO A 37 -9.731 -0.060 6.124 0.50 0.00 H new ATOM 0 HA BPRO A 37 -10.029 -0.710 7.311 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.537 1.291 4.501 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.686 1.432 6.689 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.849 1.761 4.546 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.972 1.676 6.957 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.282 0.040 2.531 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.463 1.417 4.353 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.101 1.305 2.255 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.188 2.540 4.784 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.412 -1.328 2.191 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.681 0.307 3.308 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.285 -0.100 2.732 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.488 0.966 4.409 0.50 0.00 H new ATOM 1095 N ASER A 38 -11.976 -0.802 6.746 0.50 0.00 N ATOM 1096 N BSER A 38 -12.347 -1.482 7.469 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.193 -1.452 7.217 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.622 -2.187 7.534 0.50 0.00 C ATOM 1099 C ASER A 38 -14.291 -0.426 7.478 0.50 0.00 C ATOM 1100 C BSER A 38 -14.777 -1.254 7.191 0.50 0.00 C ATOM 1101 O ASER A 38 -14.051 0.780 7.441 0.50 0.00 O ATOM 1102 O BSER A 38 -15.392 -1.370 6.133 0.50 0.00 O ATOM 1103 CB ASER A 38 -12.911 -2.247 8.494 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.828 -2.783 8.928 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.006 -3.083 8.828 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.764 -1.780 9.926 0.50 0.00 O ATOM 0 H ASER A 38 -11.551 -0.164 7.419 0.50 0.00 H new ATOM 0 H BSER A 38 -11.905 -1.327 8.375 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.534 -2.135 6.439 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.601 -2.994 6.801 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.015 -2.853 8.358 0.50 0.00 H new ATOM 0 HB2BSER A 38 -14.795 -3.284 8.973 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.710 -1.560 9.316 0.50 0.00 H new ATOM 0 HB3BSER A 38 -13.067 -3.540 9.119 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.800 -3.581 9.646 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.900 -2.186 10.807 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.500 -0.915 7.740 0.50 0.00 N ATOM 1118 N BGLY A 39 -15.067 -0.323 8.097 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.618 -0.027 8.002 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.150 0.619 7.875 0.50 0.00 C ATOM 1121 C AGLY A 39 -17.071 -0.077 9.448 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.668 1.222 9.164 0.50 0.00 C ATOM 1123 O AGLY A 39 -16.797 0.839 10.222 0.50 0.00 O ATOM 1124 O BGLY A 39 -15.915 1.300 10.134 0.50 0.00 O ATOM 0 H AGLY A 39 -15.725 -1.909 7.775 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.571 -0.205 8.980 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -16.334 0.994 7.748 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.804 1.417 7.218 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.452 -0.296 7.354 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.967 0.114 7.360 0.50 0.00 H new