USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=17 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= 0.328 K(o=-7.6,f=-20!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -7.02! C(o=-7.6!,f=-20!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.4: A 29 THR OG1B: rot -170:sc= -0.944 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+ -148:sc= 0 (180deg=-0.02) USER MOD Single : A 13 LYS NZ B:NH3+ -138:sc= -0.489 (180deg=-2.44!) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0.0847 USER MOD Single : A 18 ASN A: amide:sc= -0.458 K(o=-0.46,f=-1.7!) USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 19 SER OG B: rot 180:sc= 0 USER MOD Single : A 23 TYR OH A: rot 180:sc= -0.0199 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A: no HE2:sc= -1.25 K(o=-1.2,f=-2.6!) USER MOD Single : A 27 HIS B: no HD1:sc= 0.468 K(o=0.47,f=-2.4!) USER MOD Single : A 30 ASN A: amide:sc= -0.161 X(o=-0.16,f=-0.007) USER MOD Single : A 30 ASN B: amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 32 SER OG A: rot 7:sc= 0.0186 USER MOD Single : A 32 SER OG B: rot 180:sc= 0.0113 USER MOD Single : A 33 GLN A: amide:sc= -0.0842 X(o=-0.084,f=0) USER MOD Single : A 33 GLN B: amide:sc= -0.593 K(o=-0.59,f=-1.8!) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.121 USER MOD Single : A 38 SER OG B: rot 111:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -11.817 -4.252 -4.268 0.50 0.00 N ATOM 24 N BLYS A 6 -11.961 -5.291 -4.215 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.143 -4.194 -3.664 0.50 0.00 C ATOM 26 CA BLYS A 6 -12.924 -5.157 -3.129 0.50 0.00 C ATOM 27 C ALYS A 6 -13.113 -3.396 -2.364 0.50 0.00 C ATOM 28 C BLYS A 6 -12.490 -4.074 -2.146 0.50 0.00 C ATOM 29 O ALYS A 6 -12.623 -3.875 -1.341 0.50 0.00 O ATOM 30 O BLYS A 6 -11.308 -3.959 -1.817 0.50 0.00 O ATOM 31 CB ALYS A 6 -13.667 -5.606 -3.396 0.50 0.00 C ATOM 32 CB BLYS A 6 -13.088 -6.490 -2.396 0.50 0.00 C ATOM 33 CG ALYS A 6 -13.439 -6.569 -4.548 0.50 0.00 C ATOM 34 CG BLYS A 6 -13.212 -7.685 -3.325 0.50 0.00 C ATOM 35 CD ALYS A 6 -13.869 -7.981 -4.190 0.50 0.00 C ATOM 36 CD BLYS A 6 -14.406 -8.553 -2.962 0.50 0.00 C ATOM 37 CE ALYS A 6 -14.914 -8.508 -5.160 0.50 0.00 C ATOM 38 CE BLYS A 6 -15.546 -8.376 -3.952 0.50 0.00 C ATOM 39 NZ ALYS A 6 -14.316 -9.403 -6.189 0.50 0.00 N ATOM 40 NZ BLYS A 6 -15.340 -9.184 -5.186 0.50 0.00 N ATOM 0 HA ALYS A 6 -13.812 -3.692 -4.363 0.50 0.00 H new ATOM 0 HA BLYS A 6 -13.882 -4.868 -3.561 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -13.183 -6.001 -2.503 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -12.233 -6.640 -1.737 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -14.735 -5.554 -3.183 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.974 -6.440 -1.762 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -13.995 -6.229 -5.422 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -13.312 -7.338 -4.354 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.384 -6.568 -4.821 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -12.300 -8.280 -3.277 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -13.000 -8.640 -4.196 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -14.102 -9.600 -2.939 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -14.272 -7.994 -3.177 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -14.751 -8.299 -1.960 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -15.681 -9.051 -4.608 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -16.485 -8.666 -3.480 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -15.409 -7.670 -5.651 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -15.635 -7.323 -4.218 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -15.061 -9.741 -6.831 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -16.139 -9.036 -5.835 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -13.602 -8.878 -6.733 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -14.457 -8.890 -5.650 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -13.866 -10.216 -5.722 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -15.280 -10.192 -4.935 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.642 -2.178 -2.409 0.50 0.00 N ATOM 68 N BLEU A 7 -13.450 -3.284 -1.680 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.678 -1.315 -1.234 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.165 -2.212 -0.733 0.50 0.00 C ATOM 71 C ALEU A 7 -15.113 -0.932 -0.884 0.50 0.00 C ATOM 72 C BLEU A 7 -14.455 -1.563 -0.239 0.50 0.00 C ATOM 73 O ALEU A 7 -16.011 -0.960 -1.723 0.50 0.00 O ATOM 74 O BLEU A 7 -15.493 -1.611 -0.900 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.847 -0.055 -1.478 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.267 -1.157 -1.381 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.347 -0.174 -1.199 0.50 0.00 C ATOM 78 CG BLEU A 7 -12.931 -0.261 -2.427 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.784 -1.431 -1.843 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.974 1.180 -1.944 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.613 1.061 -1.701 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.195 -0.358 -3.754 0.50 0.00 C ATOM 0 H ALEU A 7 -14.052 -1.766 -3.247 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.432 -3.365 -1.942 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.254 -1.866 -0.395 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.647 -2.646 0.122 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -12.980 0.248 -2.517 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -11.860 -0.522 -0.594 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.249 0.747 -0.858 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.424 -1.665 -1.849 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.200 -0.246 -0.121 0.50 0.00 H new ATOM 0 HG BLEU A 7 -13.955 -0.604 -2.575 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.716 -1.500 -1.635 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.450 1.803 -2.701 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.290 -2.306 -1.436 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.544 1.236 -1.017 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -10.941 -1.389 -2.921 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.959 1.535 -1.767 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.547 0.960 -1.495 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.681 0.286 -4.487 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.766 1.164 -2.775 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.161 -0.040 -3.621 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -10.999 1.945 -1.193 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.215 -1.389 -4.107 0.50 0.00 H new ATOM 105 N APRO A 8 -15.332 -0.564 0.388 0.50 0.00 N ATOM 106 N BPRO A 8 -14.390 -0.941 0.946 0.50 0.00 N ATOM 107 CA APRO A 8 -16.654 -0.166 0.879 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.543 -0.269 1.551 0.50 0.00 C ATOM 109 C APRO A 8 -17.105 1.176 0.311 0.50 0.00 C ATOM 110 C BPRO A 8 -15.937 0.997 0.798 0.50 0.00 C ATOM 111 O APRO A 8 -16.347 1.879 -0.356 0.50 0.00 O ATOM 112 O BPRO A 8 -15.158 1.558 0.028 0.50 0.00 O ATOM 113 CB APRO A 8 -16.455 -0.064 2.393 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.052 0.079 2.959 0.50 0.00 C ATOM 115 CG APRO A 8 -15.001 0.212 2.565 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.570 0.164 2.833 0.50 0.00 C ATOM 117 CD APRO A 8 -14.306 -0.508 1.442 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.184 -0.845 1.787 0.50 0.00 C ATOM 0 HA APRO A 8 -17.428 -0.875 0.583 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.434 -0.897 1.538 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.063 0.734 2.820 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.475 1.023 3.304 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.745 -0.988 2.894 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.345 -0.684 3.680 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.800 1.283 2.526 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.260 1.167 2.540 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.648 -0.143 3.533 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.084 -0.055 3.784 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.417 0.028 1.110 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.318 -0.517 1.212 0.50 0.00 H new ATOM 0 HD3APRO A 8 -13.983 -1.505 1.742 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -12.926 -1.806 2.231 0.50 0.00 H new ATOM 133 N APRO A 9 -18.368 1.539 0.579 0.50 0.00 N ATOM 134 N BPRO A 9 -17.176 1.460 1.025 0.50 0.00 N ATOM 135 CA APRO A 9 -18.945 2.799 0.103 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.702 2.665 0.377 0.50 0.00 C ATOM 137 C APRO A 9 -18.344 4.014 0.799 0.50 0.00 C ATOM 138 C BPRO A 9 -17.029 3.937 0.885 0.50 0.00 C ATOM 139 O APRO A 9 -18.463 4.167 2.014 0.50 0.00 O ATOM 140 O BPRO A 9 -16.632 4.018 2.046 0.50 0.00 O ATOM 141 CB APRO A 9 -20.430 2.662 0.453 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.183 2.656 0.760 0.50 0.00 C ATOM 143 CG APRO A 9 -20.464 1.708 1.597 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.242 1.879 2.030 0.50 0.00 C ATOM 145 CD APRO A 9 -19.327 0.749 1.368 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.159 0.842 1.932 0.50 0.00 C ATOM 0 HA APRO A 9 -18.755 2.959 -0.958 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.525 2.659 -0.699 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.862 3.624 0.727 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.562 3.669 0.898 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.003 2.285 -0.394 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.790 2.191 -0.017 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.348 2.232 2.546 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.084 2.528 2.892 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.417 1.181 1.638 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.219 1.412 2.157 0.50 0.00 H new ATOM 0 HD2APRO A 9 -18.891 0.410 2.308 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.724 0.622 2.907 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.654 -0.141 0.830 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.538 -0.099 1.533 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.699 4.877 0.023 0.50 0.00 N ATOM 162 N BGLY A 10 -16.905 4.926 0.006 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.086 6.067 0.584 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.279 6.180 0.384 0.50 0.00 C ATOM 165 C AGLY A 10 -15.586 6.107 0.367 0.50 0.00 C ATOM 166 C BGLY A 10 -14.791 6.197 0.094 0.50 0.00 C ATOM 167 O AGLY A 10 -14.973 7.173 0.420 0.50 0.00 O ATOM 168 O BGLY A 10 -14.251 7.207 -0.358 0.50 0.00 O ATOM 0 H AGLY A 10 -17.589 4.774 -0.986 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.227 4.882 -0.961 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.538 6.951 0.134 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.760 6.998 -0.152 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.296 6.110 1.653 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.441 6.357 1.447 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.994 4.942 0.126 0.50 0.00 N ATOM 176 N BTRP A 11 -14.127 5.077 0.355 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.556 4.849 -0.098 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.691 4.967 0.122 0.50 0.00 C ATOM 179 C ATRP A 11 -13.241 4.774 -1.588 0.50 0.00 C ATOM 180 C BTRP A 11 -12.397 4.739 -1.356 0.50 0.00 C ATOM 181 O ATRP A 11 -14.066 4.324 -2.383 0.50 0.00 O ATOM 182 O BTRP A 11 -13.146 4.051 -2.047 0.50 0.00 O ATOM 183 CB ATRP A 11 -12.988 3.623 0.619 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.103 3.827 0.954 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.670 3.874 2.062 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.398 3.946 2.419 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.516 3.726 3.124 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.538 3.554 3.060 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.419 4.317 2.600 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.540 4.498 3.424 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.865 4.051 4.291 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.442 3.828 4.403 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.578 4.415 3.996 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.225 4.406 4.652 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.180 4.638 2.039 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.259 5.058 3.405 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.544 4.823 4.835 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.670 4.855 5.847 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.156 5.042 2.872 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.712 5.502 4.594 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.343 5.132 4.258 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.415 5.399 5.801 0.50 0.00 C ATOM 0 H ATRP A 11 -15.487 4.050 0.081 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.560 4.232 0.728 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.090 5.747 0.307 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.226 5.905 0.426 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.705 2.805 0.549 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.497 2.879 0.587 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.083 3.298 0.106 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.023 3.801 0.809 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.544 3.402 3.057 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.391 3.096 2.581 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.274 4.025 5.225 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.160 3.633 5.101 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.026 4.571 0.972 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.708 5.142 2.480 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.685 4.893 5.903 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.211 4.777 6.778 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.195 5.293 2.449 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.723 5.937 4.592 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.522 5.452 4.883 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.958 5.756 6.712 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.044 5.216 -1.958 0.50 0.00 N ATOM 224 N BGLU A 12 -11.301 5.321 -1.834 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.621 5.199 -3.353 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.909 5.181 -3.232 0.50 0.00 C ATOM 227 C AGLU A 12 -10.258 4.532 -3.501 0.50 0.00 C ATOM 228 C BGLU A 12 -9.571 4.458 -3.351 0.50 0.00 C ATOM 229 O AGLU A 12 -9.264 4.991 -2.940 0.50 0.00 O ATOM 230 O BGLU A 12 -8.684 4.626 -2.513 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.566 6.623 -3.910 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.822 6.554 -3.901 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.295 6.682 -5.404 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.976 7.477 -3.548 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.122 8.102 -5.909 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.326 8.430 -4.674 0.50 0.00 C ATOM 237 OE1AGLU A 12 -10.872 9.001 -5.078 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.735 7.946 -5.753 0.50 0.00 O ATOM 239 OE2AGLU A 12 -11.237 8.314 -7.135 0.50 0.00 O ATOM 240 OE2BGLU A 12 -12.192 9.655 -4.480 0.50 0.00 O ATOM 0 H AGLU A 12 -11.350 5.590 -1.311 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.669 5.894 -1.274 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.352 4.622 -3.920 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.670 4.587 -3.739 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.512 7.123 -3.701 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -9.885 7.031 -3.613 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.789 7.179 -3.386 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.792 6.421 -4.982 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.396 6.108 -5.630 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.852 6.878 -3.298 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.119 6.208 -5.938 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.718 8.051 -2.658 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.219 3.440 -4.260 0.50 0.00 N ATOM 254 N BLYS A 13 -9.433 3.651 -4.398 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.978 2.707 -4.483 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.202 2.902 -4.630 0.50 0.00 C ATOM 257 C ALYS A 13 -8.111 3.408 -5.524 0.50 0.00 C ATOM 258 C BLYS A 13 -7.389 3.530 -5.758 0.50 0.00 C ATOM 259 O ALYS A 13 -8.480 3.493 -6.697 0.50 0.00 O ATOM 260 O BLYS A 13 -7.862 3.646 -6.888 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.283 1.277 -4.935 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.526 1.446 -4.970 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.041 0.468 -5.270 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.303 0.622 -5.342 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.793 0.420 -6.768 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.694 -0.740 -5.887 0.50 0.00 C ATOM 267 CE ALYS A 13 -6.617 -0.483 -7.109 0.50 0.00 C ATOM 268 CE BLYS A 13 -6.787 -1.161 -7.033 0.50 0.00 C ATOM 269 NZ ALYS A 13 -5.830 0.044 -8.259 0.50 0.00 N ATOM 270 NZ BLYS A 13 -5.927 -2.318 -6.663 0.50 0.00 N ATOM 0 H ALYS A 13 -11.033 3.044 -4.730 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.158 3.499 -5.099 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.428 2.675 -3.542 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.608 2.933 -3.717 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.838 0.766 -4.148 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.020 0.983 -4.116 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.931 1.312 -5.811 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.235 1.424 -5.798 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.176 0.905 -4.771 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.715 1.158 -6.087 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -8.152 -0.546 -4.886 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.668 0.495 -4.465 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.688 0.060 -7.275 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.643 -1.481 -5.089 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -7.600 1.427 -7.138 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -8.728 -0.713 -6.231 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -5.968 -0.579 -6.238 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -7.394 -1.422 -7.900 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.983 -1.482 -7.346 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -6.158 -0.320 -7.326 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -5.431 -0.750 -8.799 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -4.965 -2.165 -7.026 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -6.451 0.606 -8.876 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -5.896 -2.410 -5.628 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -5.058 0.645 -7.905 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -6.319 -3.188 -7.076 0.50 0.00 H new ATOM 297 N AARG A 14 -6.959 3.905 -5.089 0.50 0.00 N ATOM 298 N BARG A 14 -6.161 3.933 -5.442 0.50 0.00 N ATOM 299 CA AARG A 14 -6.039 4.598 -5.986 0.50 0.00 C ATOM 300 CA BARG A 14 -5.280 4.546 -6.427 0.50 0.00 C ATOM 301 C AARG A 14 -4.766 3.785 -6.191 0.50 0.00 C ATOM 302 C BARG A 14 -3.902 3.895 -6.407 0.50 0.00 C ATOM 303 O AARG A 14 -4.495 2.837 -5.453 0.50 0.00 O ATOM 304 O BARG A 14 -3.439 3.431 -5.365 0.50 0.00 O ATOM 305 CB AARG A 14 -5.692 5.977 -5.424 0.50 0.00 C ATOM 306 CB BARG A 14 -5.151 6.047 -6.162 0.50 0.00 C ATOM 307 CG AARG A 14 -6.899 6.883 -5.240 0.50 0.00 C ATOM 308 CG BARG A 14 -6.427 6.686 -5.636 0.50 0.00 C ATOM 309 CD AARG A 14 -6.713 8.211 -5.956 0.50 0.00 C ATOM 310 CD BARG A 14 -6.692 8.027 -6.299 0.50 0.00 C ATOM 311 NE AARG A 14 -7.972 8.937 -6.097 0.50 0.00 N ATOM 312 NE BARG A 14 -5.560 8.940 -6.160 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.181 9.881 -7.008 0.50 0.00 C ATOM 314 CZ BARG A 14 -5.652 10.255 -6.321 0.50 0.00 C ATOM 315 NH1AARG A 14 -7.215 10.210 -7.856 0.50 0.00 N ATOM 316 NH1BARG A 14 -6.818 10.809 -6.624 0.50 0.00 N ATOM 317 NH2AARG A 14 -9.355 10.495 -7.073 0.50 0.00 N ATOM 318 NH2BARG A 14 -4.577 11.020 -6.180 0.50 0.00 N ATOM 0 H AARG A 14 -6.639 3.842 -4.123 0.50 0.00 H new ATOM 0 H BARG A 14 -5.755 3.845 -4.510 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.531 4.719 -6.951 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.719 4.394 -7.413 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.192 5.853 -4.463 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.349 6.213 -5.443 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.982 6.464 -6.092 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.859 6.546 -7.086 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.791 6.385 -5.621 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.270 6.018 -5.814 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.063 7.061 -4.177 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.350 6.821 -4.557 0.50 0.00 H new ATOM 0 HD2AARG A 14 -6.001 8.824 -5.404 0.50 0.00 H new ATOM 0 HD2BARG A 14 -6.905 7.873 -7.357 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.284 8.034 -6.942 0.50 0.00 H new ATOM 0 HD3BARG A 14 -7.580 8.480 -5.858 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.734 8.706 -5.460 0.50 0.00 H new ATOM 0 HE BARG A 14 -4.649 8.546 -5.926 0.50 0.00 H new ATOM 0 HH11AARG A 14 -6.312 9.738 -7.808 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.647 10.225 -6.734 0.50 0.00 H new ATOM 0 HH12AARG A 14 -7.375 10.935 -8.556 0.50 0.00 H new ATOM 0 HH12BARG A 14 -6.886 11.819 -6.747 0.50 0.00 H new ATOM 0 HH21AARG A 14 -10.099 10.243 -6.423 0.50 0.00 H new ATOM 0 HH21BARG A 14 -3.678 10.598 -5.948 0.50 0.00 H new ATOM 0 HH22AARG A 14 -9.514 11.220 -7.773 0.50 0.00 H new ATOM 0 HH22BARG A 14 -4.650 12.030 -6.304 0.50 0.00 H new ATOM 345 N AMET A 15 -3.987 4.160 -7.200 0.50 0.00 N ATOM 346 N BMET A 15 -3.252 3.862 -7.566 0.50 0.00 N ATOM 347 CA AMET A 15 -2.741 3.466 -7.505 0.50 0.00 C ATOM 348 CA BMET A 15 -1.924 3.267 -7.680 0.50 0.00 C ATOM 349 C AMET A 15 -1.618 4.460 -7.786 0.50 0.00 C ATOM 350 C BMET A 15 -0.913 4.287 -8.197 0.50 0.00 C ATOM 351 O AMET A 15 -1.814 5.448 -8.493 0.50 0.00 O ATOM 352 O BMET A 15 -1.091 4.860 -9.271 0.50 0.00 O ATOM 353 CB AMET A 15 -2.929 2.538 -8.707 0.50 0.00 C ATOM 354 CB BMET A 15 -1.964 2.055 -8.613 0.50 0.00 C ATOM 355 CG AMET A 15 -2.133 1.247 -8.609 0.50 0.00 C ATOM 356 CG BMET A 15 -1.023 0.936 -8.195 0.50 0.00 C ATOM 357 SD AMET A 15 -0.863 1.117 -9.881 0.50 0.00 S ATOM 358 SD BMET A 15 -1.872 -0.638 -7.969 0.50 0.00 S ATOM 359 CE AMET A 15 -1.044 -0.597 -10.368 0.50 0.00 C ATOM 360 CE BMET A 15 -2.073 -1.161 -9.672 0.50 0.00 C ATOM 0 H AMET A 15 -4.197 4.941 -7.821 0.50 0.00 H new ATOM 0 H BMET A 15 -3.622 4.239 -8.438 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.465 2.870 -6.635 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.612 2.943 -6.687 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.987 2.296 -8.807 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.982 1.668 -8.649 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.636 3.068 -9.614 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.709 2.375 -9.623 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.665 1.187 -7.626 0.50 0.00 H new ATOM 0 HG2BMET A 15 -0.245 0.820 -8.950 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.812 0.399 -8.691 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.526 1.213 -7.265 0.50 0.00 H new ATOM 0 HE1AMET A 15 -0.323 -0.831 -11.152 0.50 0.00 H new ATOM 0 HE1BMET A 15 -2.584 -2.123 -9.699 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.865 -1.241 -9.507 0.50 0.00 H new ATOM 0 HE2BMET A 15 -2.663 -0.421 -10.213 0.50 0.00 H new ATOM 0 HE3AMET A 15 -2.054 -0.764 -10.742 0.50 0.00 H new ATOM 0 HE3BMET A 15 -1.094 -1.257 -10.141 0.50 0.00 H new ATOM 379 N ASER A 16 -0.443 4.192 -7.226 0.50 0.00 N ATOM 380 N BSER A 16 0.144 4.507 -7.424 0.50 0.00 N ATOM 381 CA ASER A 16 0.709 5.064 -7.413 0.50 0.00 C ATOM 382 CA BSER A 16 1.181 5.460 -7.801 0.50 0.00 C ATOM 383 C ASER A 16 1.462 4.707 -8.690 0.50 0.00 C ATOM 384 C BSER A 16 1.977 4.953 -9.001 0.50 0.00 C ATOM 385 O ASER A 16 1.551 3.535 -9.063 0.50 0.00 O ATOM 386 O BSER A 16 2.199 3.751 -9.147 0.50 0.00 O ATOM 387 CB ASER A 16 1.649 4.969 -6.209 0.50 0.00 C ATOM 388 CB BSER A 16 2.122 5.717 -6.622 0.50 0.00 C ATOM 389 OG ASER A 16 1.899 6.248 -5.654 0.50 0.00 O ATOM 390 OG BSER A 16 1.557 5.255 -5.409 0.50 0.00 O ATOM 0 H ASER A 16 -0.264 3.377 -6.639 0.50 0.00 H new ATOM 0 H BSER A 16 0.306 4.038 -6.532 0.50 0.00 H new ATOM 0 HA ASER A 16 0.346 6.088 -7.502 0.50 0.00 H new ATOM 0 HA BSER A 16 0.695 6.395 -8.079 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.210 4.320 -5.451 0.50 0.00 H new ATOM 0 HB2BSER A 16 3.074 5.217 -6.797 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.590 4.511 -6.514 0.50 0.00 H new ATOM 0 HB3BSER A 16 2.332 6.784 -6.546 0.50 0.00 H new ATOM 0 HG ASER A 16 2.501 6.159 -4.886 0.50 0.00 H new ATOM 0 HG BSER A 16 2.178 5.429 -4.671 0.50 0.00 H new ATOM 401 N AARG A 17 2.003 5.722 -9.356 0.50 0.00 N ATOM 402 N BARG A 17 2.402 5.877 -9.854 0.50 0.00 N ATOM 403 CA AARG A 17 2.748 5.513 -10.592 0.50 0.00 C ATOM 404 CA BARG A 17 3.172 5.524 -11.041 0.50 0.00 C ATOM 405 C AARG A 17 4.041 4.750 -10.327 0.50 0.00 C ATOM 406 C BARG A 17 4.667 5.493 -10.731 0.50 0.00 C ATOM 407 O AARG A 17 4.140 3.557 -10.612 0.50 0.00 O ATOM 408 O BARG A 17 5.470 6.091 -11.444 0.50 0.00 O ATOM 409 CB AARG A 17 3.062 6.857 -11.254 0.50 0.00 C ATOM 410 CB BARG A 17 2.895 6.519 -12.169 0.50 0.00 C ATOM 411 CG AARG A 17 3.879 6.729 -12.531 0.50 0.00 C ATOM 412 CG BARG A 17 3.337 7.938 -11.853 0.50 0.00 C ATOM 413 CD AARG A 17 4.564 8.039 -12.885 0.50 0.00 C ATOM 414 CD BARG A 17 3.969 8.608 -13.062 0.50 0.00 C ATOM 415 NE AARG A 17 3.999 8.645 -14.088 0.50 0.00 N ATOM 416 NE BARG A 17 5.117 7.859 -13.565 0.50 0.00 N ATOM 417 CZ AARG A 17 4.332 8.279 -15.321 0.50 0.00 C ATOM 418 CZ BARG A 17 5.593 7.984 -14.799 0.50 0.00 C ATOM 419 NH1AARG A 17 5.222 7.315 -15.512 0.50 0.00 N ATOM 420 NH1BARG A 17 5.022 8.824 -15.652 0.50 0.00 N ATOM 421 NH2AARG A 17 3.775 8.877 -16.366 0.50 0.00 N ATOM 422 NH2BARG A 17 6.642 7.268 -15.182 0.50 0.00 N ATOM 0 H AARG A 17 1.940 6.696 -9.061 0.50 0.00 H new ATOM 0 H BARG A 17 2.227 6.876 -9.746 0.50 0.00 H new ATOM 0 HA AARG A 17 2.129 4.919 -11.264 0.50 0.00 H new ATOM 0 HA BARG A 17 2.864 4.528 -11.360 0.50 0.00 H new ATOM 0 HB2AARG A 17 2.127 7.369 -11.480 0.50 0.00 H new ATOM 0 HB2BARG A 17 3.404 6.182 -13.072 0.50 0.00 H new ATOM 0 HB3AARG A 17 3.605 7.484 -10.546 0.50 0.00 H new ATOM 0 HB3BARG A 17 1.827 6.520 -12.386 0.50 0.00 H new ATOM 0 HG2AARG A 17 4.628 5.947 -12.409 0.50 0.00 H new ATOM 0 HG2BARG A 17 2.479 8.522 -11.520 0.50 0.00 H new ATOM 0 HG3AARG A 17 3.229 6.423 -13.351 0.50 0.00 H new ATOM 0 HG3BARG A 17 4.051 7.923 -11.030 0.50 0.00 H new ATOM 0 HD2AARG A 17 4.470 8.734 -12.051 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.225 8.705 -13.853 0.50 0.00 H new ATOM 0 HD3AARG A 17 5.629 7.862 -13.034 0.50 0.00 H new ATOM 0 HD3BARG A 17 4.283 9.617 -12.794 0.50 0.00 H new ATOM 0 HE AARG A 17 3.311 9.390 -13.975 0.50 0.00 H new ATOM 0 HE BARG A 17 5.579 7.204 -12.934 0.50 0.00 H new ATOM 0 HH11AARG A 17 5.653 6.853 -14.711 0.50 0.00 H new ATOM 0 HH11BARG A 17 4.215 9.376 -15.361 0.50 0.00 H new ATOM 0 HH12AARG A 17 5.476 7.036 -16.460 0.50 0.00 H new ATOM 0 HH12BARG A 17 5.390 8.918 -16.599 0.50 0.00 H new ATOM 0 HH21AARG A 17 3.090 9.619 -16.224 0.50 0.00 H new ATOM 0 HH21BARG A 17 7.084 6.621 -14.529 0.50 0.00 H new ATOM 0 HH22AARG A 17 4.032 8.595 -17.312 0.50 0.00 H new ATOM 0 HH22BARG A 17 7.007 7.365 -16.130 0.50 0.00 H new ATOM 449 N AASN A 18 5.031 5.448 -9.778 0.50 0.00 N ATOM 450 N BASN A 18 5.029 4.795 -9.661 0.50 0.00 N ATOM 451 CA AASN A 18 6.321 4.836 -9.474 0.50 0.00 C ATOM 452 CA BASN A 18 6.426 4.686 -9.255 0.50 0.00 C ATOM 453 C AASN A 18 6.245 4.017 -8.189 0.50 0.00 C ATOM 454 C BASN A 18 6.735 3.286 -8.736 0.50 0.00 C ATOM 455 O AASN A 18 5.318 4.177 -7.394 0.50 0.00 O ATOM 456 O BASN A 18 7.648 2.618 -9.225 0.50 0.00 O ATOM 457 CB AASN A 18 7.401 5.912 -9.345 0.50 0.00 C ATOM 458 CB BASN A 18 6.747 5.725 -8.179 0.50 0.00 C ATOM 459 CG AASN A 18 6.969 7.061 -8.456 0.50 0.00 C ATOM 460 CG BASN A 18 7.929 6.599 -8.553 0.50 0.00 C ATOM 461 OD1AASN A 18 6.241 6.868 -7.482 0.50 0.00 O ATOM 462 OD1BASN A 18 8.962 6.104 -9.005 0.50 0.00 O ATOM 463 ND2AASN A 18 7.415 8.267 -8.790 0.50 0.00 N ATOM 464 ND2BASN A 18 7.781 7.905 -8.367 0.50 0.00 N ATOM 0 H AASN A 18 4.965 6.436 -9.535 0.50 0.00 H new ATOM 0 H BASN A 18 4.375 4.296 -9.058 0.50 0.00 H new ATOM 0 HA AASN A 18 6.581 4.167 -10.294 0.50 0.00 H new ATOM 0 HA BASN A 18 7.049 4.874 -10.130 0.50 0.00 H new ATOM 0 HB2AASN A 18 8.309 5.465 -8.940 0.50 0.00 H new ATOM 0 HB2BASN A 18 5.872 6.354 -8.012 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.648 6.295 -10.335 0.50 0.00 H new ATOM 0 HB3BASN A 18 6.958 5.216 -7.238 0.50 0.00 H new ATOM 0 HD21AASN A 18 7.156 9.080 -8.231 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.542 8.543 -8.601 0.50 0.00 H new ATOM 0 HD22AASN A 18 8.017 8.380 -9.606 0.50 0.00 H new ATOM 0 HD22BASN A 18 6.907 8.271 -7.990 0.50 0.00 H new ATOM 477 N ASER A 19 7.226 3.144 -7.992 0.50 0.00 N ATOM 478 N BSER A 19 5.969 2.847 -7.741 0.50 0.00 N ATOM 479 CA ASER A 19 7.270 2.298 -6.804 0.50 0.00 C ATOM 480 CA BSER A 19 6.163 1.527 -7.152 0.50 0.00 C ATOM 481 C ASER A 19 6.247 1.170 -6.902 0.50 0.00 C ATOM 482 C BSER A 19 4.831 0.803 -6.993 0.50 0.00 C ATOM 483 O ASER A 19 6.551 0.014 -6.615 0.50 0.00 O ATOM 484 O BSER A 19 4.696 -0.098 -6.165 0.50 0.00 O ATOM 485 CB ASER A 19 7.008 3.132 -5.548 0.50 0.00 C ATOM 486 CB BSER A 19 6.856 1.649 -5.793 0.50 0.00 C ATOM 487 OG ASER A 19 8.095 3.048 -4.643 0.50 0.00 O ATOM 488 OG BSER A 19 8.163 1.101 -5.837 0.50 0.00 O ATOM 0 H ASER A 19 8.002 3.003 -8.639 0.50 0.00 H new ATOM 0 H BSER A 19 5.209 3.386 -7.326 0.50 0.00 H new ATOM 0 HA ASER A 19 8.265 1.858 -6.738 0.50 0.00 H new ATOM 0 HA BSER A 19 6.795 0.945 -7.823 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.843 4.173 -5.827 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.907 2.698 -5.500 0.50 0.00 H new ATOM 0 HB3ASER A 19 6.097 2.784 -5.060 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.268 1.134 -5.033 0.50 0.00 H new ATOM 0 HG ASER A 19 7.903 3.591 -3.850 0.50 0.00 H new ATOM 0 HG BSER A 19 8.586 1.192 -4.958 0.50 0.00 H new ATOM 499 N AGLY A 20 5.029 1.517 -7.310 0.50 0.00 N ATOM 500 N BGLY A 20 3.846 1.203 -7.793 0.50 0.00 N ATOM 501 CA AGLY A 20 3.979 0.526 -7.438 0.50 0.00 C ATOM 502 CA BGLY A 20 2.536 0.583 -7.725 0.50 0.00 C ATOM 503 C AGLY A 20 3.390 0.128 -6.100 0.50 0.00 C ATOM 504 C BGLY A 20 2.015 0.481 -6.305 0.50 0.00 C ATOM 505 O AGLY A 20 3.326 -1.056 -5.768 0.50 0.00 O ATOM 506 O BGLY A 20 1.269 -0.439 -5.973 0.50 0.00 O ATOM 0 H AGLY A 20 4.752 2.468 -7.554 0.50 0.00 H new ATOM 0 H BGLY A 20 3.933 1.946 -8.487 0.50 0.00 H new ATOM 0 HA2AGLY A 20 3.188 0.920 -8.077 0.50 0.00 H new ATOM 0 HA2BGLY A 20 1.833 1.160 -8.326 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.378 -0.359 -7.933 0.50 0.00 H new ATOM 0 HA3BGLY A 20 2.586 -0.414 -8.163 0.50 0.00 H new ATOM 513 N AARG A 21 2.959 1.119 -5.327 0.50 0.00 N ATOM 514 N BARG A 21 2.410 1.431 -5.462 0.50 0.00 N ATOM 515 CA AARG A 21 2.373 0.868 -4.015 0.50 0.00 C ATOM 516 CA BARG A 21 1.980 1.443 -4.068 0.50 0.00 C ATOM 517 C AARG A 21 0.908 1.290 -3.983 0.50 0.00 C ATOM 518 C BARG A 21 0.491 1.757 -3.963 0.50 0.00 C ATOM 519 O AARG A 21 0.562 2.397 -4.396 0.50 0.00 O ATOM 520 O BARG A 21 0.095 2.918 -3.869 0.50 0.00 O ATOM 521 CB AARG A 21 3.156 1.614 -2.933 0.50 0.00 C ATOM 522 CB BARG A 21 2.786 2.471 -3.273 0.50 0.00 C ATOM 523 CG AARG A 21 4.015 0.708 -2.068 0.50 0.00 C ATOM 524 CG BARG A 21 3.849 1.852 -2.380 0.50 0.00 C ATOM 525 CD AARG A 21 5.366 1.337 -1.770 0.50 0.00 C ATOM 526 CD BARG A 21 5.209 2.492 -2.607 0.50 0.00 C ATOM 527 NE AARG A 21 5.247 2.501 -0.895 0.50 0.00 N ATOM 528 NE BARG A 21 5.175 3.937 -2.403 0.50 0.00 N ATOM 529 CZ AARG A 21 5.272 3.756 -1.333 0.50 0.00 C ATOM 530 CZ BARG A 21 5.181 4.820 -3.396 0.50 0.00 C ATOM 531 NH1AARG A 21 5.409 4.006 -2.629 0.50 0.00 N ATOM 532 NH1BARG A 21 5.222 4.406 -4.654 0.50 0.00 N ATOM 533 NH2AARG A 21 5.158 4.762 -0.476 0.50 0.00 N ATOM 534 NH2BARG A 21 5.148 6.120 -3.131 0.50 0.00 N ATOM 0 H AARG A 21 3.004 2.104 -5.586 0.50 0.00 H new ATOM 0 H BARG A 21 3.027 2.202 -5.720 0.50 0.00 H new ATOM 0 HA AARG A 21 2.427 -0.203 -3.819 0.50 0.00 H new ATOM 0 HA BARG A 21 2.156 0.452 -3.650 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.793 2.360 -3.407 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.264 3.162 -3.968 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.455 2.153 -2.295 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.104 3.058 -2.658 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.496 0.498 -1.133 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.561 1.968 -1.335 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.161 -0.247 -2.573 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.912 0.782 -2.576 0.50 0.00 H new ATOM 0 HD2AARG A 21 6.015 0.597 -1.302 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.937 2.047 -1.928 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.842 1.633 -2.705 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.546 2.277 -3.621 0.50 0.00 H new ATOM 0 HE AARG A 21 5.139 2.342 0.107 0.50 0.00 H new ATOM 0 HE BARG A 21 5.145 4.288 -1.446 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.495 3.235 -3.291 0.50 0.00 H new ATOM 0 HH11BARG A 21 5.249 3.408 -4.862 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.428 4.969 -2.963 0.50 0.00 H new ATOM 0 HH12BARG A 21 5.227 5.086 -5.415 0.50 0.00 H new ATOM 0 HH21AARG A 21 5.051 4.573 0.521 0.50 0.00 H new ATOM 0 HH21BARG A 21 5.118 6.443 -2.164 0.50 0.00 H new ATOM 0 HH22AARG A 21 5.177 5.724 -0.814 0.50 0.00 H new ATOM 0 HH22BARG A 21 5.153 6.796 -3.894 0.50 0.00 H new ATOM 561 N AVAL A 22 0.052 0.402 -3.489 0.50 0.00 N ATOM 562 N BVAL A 22 -0.332 0.712 -3.980 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.377 0.682 -3.402 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.777 0.876 -3.886 0.50 0.00 C ATOM 565 C AVAL A 22 -1.694 1.539 -2.181 0.50 0.00 C ATOM 566 C BVAL A 22 -2.204 1.168 -2.451 0.50 0.00 C ATOM 567 O AVAL A 22 -1.152 1.321 -1.097 0.50 0.00 O ATOM 568 O BVAL A 22 -1.632 0.634 -1.502 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.201 -0.617 -3.334 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.517 -0.379 -4.384 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.683 -0.303 -3.204 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.651 -1.400 -3.266 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.935 -1.481 -4.556 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.883 -0.005 -4.943 0.50 0.00 C ATOM 0 H AVAL A 22 0.323 -0.518 -3.143 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.022 -0.257 -4.058 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.649 1.227 -4.306 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.042 1.721 -4.521 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.894 -1.176 -2.450 0.50 0.00 H new ATOM 0 HB BVAL A 22 -1.932 -0.830 -5.186 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.249 -1.233 -3.157 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.177 -2.280 -3.638 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.855 0.272 -2.294 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.660 -1.690 -2.917 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.009 0.277 -4.067 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.213 -0.964 -2.440 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.526 -2.395 -4.491 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.392 -0.904 -5.291 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.212 -0.933 -5.456 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.478 0.470 -4.163 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.876 -1.736 -4.598 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -3.758 0.686 -5.776 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.578 2.515 -2.363 0.50 0.00 N ATOM 594 N BTYR A 23 -3.216 2.017 -2.301 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.967 3.405 -1.278 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.719 2.382 -0.984 0.50 0.00 C ATOM 597 C ATYR A 23 -4.439 3.793 -1.392 0.50 0.00 C ATOM 598 C BTYR A 23 -5.181 2.813 -1.059 0.50 0.00 C ATOM 599 O ATYR A 23 -4.927 4.110 -2.476 0.50 0.00 O ATOM 600 O BTYR A 23 -5.771 2.862 -2.139 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.095 4.663 -1.285 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.874 3.507 -0.386 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.374 5.586 -2.449 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.878 4.773 -1.213 0.50 0.00 C ATOM 605 CD1ATYR A 23 -1.759 5.389 -3.680 0.50 0.00 C ATOM 606 CD1BTYR A 23 -2.050 4.905 -2.320 0.50 0.00 C ATOM 607 CD2ATYR A 23 -3.251 6.655 -2.318 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.710 5.836 -0.887 0.50 0.00 C ATOM 609 CE1ATYR A 23 -2.011 6.232 -4.746 0.50 0.00 C ATOM 610 CE1BTYR A 23 -2.049 6.060 -3.079 0.50 0.00 C ATOM 611 CE2ATYR A 23 -3.509 7.501 -3.380 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.718 6.995 -1.640 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.886 7.285 -4.591 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.885 7.102 -2.735 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.140 8.126 -5.649 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.890 8.253 -3.489 0.50 0.00 O ATOM 0 H ATYR A 23 -3.038 2.709 -3.253 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.703 2.465 -3.077 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.821 2.874 -0.337 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.651 1.504 -0.341 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.251 5.208 -0.354 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.243 3.735 0.614 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.046 4.368 -1.309 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.847 3.159 -0.275 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -1.073 4.564 -3.805 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -1.395 4.091 -2.593 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -3.739 6.828 -1.370 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -4.362 5.756 -0.030 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -1.524 6.066 -5.696 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.398 6.146 -3.936 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -4.195 8.327 -3.262 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.372 7.812 -1.373 0.50 0.00 H new ATOM 0 HH ATYR A 23 -3.780 8.815 -5.373 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.535 8.887 -3.113 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.139 3.763 -0.264 0.50 0.00 N ATOM 636 N BTYR A 24 -5.759 3.123 0.094 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.556 4.108 -0.235 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.151 3.549 0.164 0.50 0.00 C ATOM 639 C ATYR A 24 -6.767 5.494 0.368 0.50 0.00 C ATOM 640 C BTYR A 24 -7.272 4.924 0.814 0.50 0.00 C ATOM 641 O ATYR A 24 -6.052 5.899 1.285 0.50 0.00 O ATOM 642 O BTYR A 24 -6.815 5.133 1.938 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.341 3.065 0.563 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.981 2.528 0.944 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.052 1.642 0.148 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.963 1.143 0.340 0.50 0.00 C ATOM 647 CD1ATYR A 24 -6.622 0.700 1.076 0.50 0.00 C ATOM 648 CD1BTYR A 24 -8.920 0.757 -0.592 0.50 0.00 C ATOM 649 CD2ATYR A 24 -7.209 1.237 -1.171 0.50 0.00 C ATOM 650 CD2BTYR A 24 -6.990 0.218 0.700 0.50 0.00 C ATOM 651 CE1ATYR A 24 -6.356 -0.603 0.701 0.50 0.00 C ATOM 652 CE1BTYR A 24 -8.908 -0.508 -1.146 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.948 -0.065 -1.555 0.50 0.00 C ATOM 654 CE2BTYR A 24 -6.970 -1.048 0.150 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.520 -0.979 -0.615 0.50 0.00 C ATOM 656 CZ BTYR A 24 -7.930 -1.407 -0.774 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.258 -2.277 -0.993 0.50 0.00 O ATOM 658 OH BTYR A 24 -7.915 -2.668 -1.323 0.50 0.00 O ATOM 0 H ATYR A 24 -4.749 3.504 0.642 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.284 3.087 0.996 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.922 4.120 -1.262 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.533 3.616 -0.855 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.109 3.180 1.622 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.607 2.474 1.966 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.407 3.259 0.448 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -9.012 2.877 1.000 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -6.494 0.992 2.108 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.686 1.459 -0.888 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -7.541 1.952 -1.910 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -6.236 0.495 1.423 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -6.022 -1.322 1.434 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.660 -0.792 -1.867 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -7.078 -0.365 -2.584 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.207 -1.754 0.441 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.424 -2.378 -1.954 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.162 -3.176 -0.956 0.50 0.00 H new ATOM 677 N APHE A 25 -7.755 6.214 -0.152 0.50 0.00 N ATOM 678 N BPHE A 25 -7.888 5.857 0.099 0.50 0.00 N ATOM 679 CA APHE A 25 -8.061 7.554 0.335 0.50 0.00 C ATOM 680 CA BPHE A 25 -8.069 7.213 0.604 0.50 0.00 C ATOM 681 C APHE A 25 -9.568 7.746 0.485 0.50 0.00 C ATOM 682 C BPHE A 25 -9.540 7.617 0.567 0.50 0.00 C ATOM 683 O APHE A 25 -10.325 7.569 -0.468 0.50 0.00 O ATOM 684 O BPHE A 25 -10.227 7.405 -0.430 0.50 0.00 O ATOM 685 CB APHE A 25 -7.495 8.608 -0.618 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.236 8.201 -0.214 0.50 0.00 C ATOM 687 CG APHE A 25 -6.950 9.820 0.083 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.506 9.639 0.126 0.50 0.00 C ATOM 689 CD1APHE A 25 -7.690 10.989 0.148 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.526 10.334 -0.500 0.50 0.00 C ATOM 691 CD2APHE A 25 -5.699 9.789 0.677 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.736 10.296 1.074 0.50 0.00 C ATOM 693 CE1APHE A 25 -7.193 12.106 0.793 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.777 11.658 -0.189 0.50 0.00 C ATOM 695 CE2APHE A 25 -5.197 10.903 1.324 0.50 0.00 C ATOM 696 CE2BPHE A 25 -6.981 11.619 1.389 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.944 12.063 1.381 0.50 0.00 C ATOM 698 CZ BPHE A 25 -8.003 12.301 0.756 0.50 0.00 C ATOM 0 H APHE A 25 -8.357 5.893 -0.910 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.271 5.700 -0.833 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.597 7.673 1.314 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.731 7.235 1.640 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.703 8.157 -1.216 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.178 7.991 -0.055 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.278 8.919 -1.309 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.437 8.043 -1.274 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.667 11.028 -0.311 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -9.134 9.836 -1.241 0.50 0.00 H new ATOM 0 HD2APHE A 25 -5.110 8.885 0.634 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -5.936 9.768 1.572 0.50 0.00 H new ATOM 0 HE1APHE A 25 -7.781 13.011 0.837 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -9.577 12.188 -0.685 0.50 0.00 H new ATOM 0 HE2APHE A 25 -4.221 10.866 1.785 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.374 12.120 2.129 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.552 12.935 1.884 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -8.196 13.335 1.000 0.50 0.00 H new ATOM 717 N AASN A 26 -9.994 8.110 1.691 0.50 0.00 N ATOM 718 N BASN A 26 -10.015 8.200 1.663 0.50 0.00 N ATOM 719 CA AASN A 26 -11.410 8.325 1.967 0.50 0.00 C ATOM 720 CA BASN A 26 -11.404 8.633 1.756 0.50 0.00 C ATOM 721 C AASN A 26 -11.806 9.773 1.689 0.50 0.00 C ATOM 722 C BASN A 26 -11.491 10.137 1.991 0.50 0.00 C ATOM 723 O AASN A 26 -11.255 10.702 2.281 0.50 0.00 O ATOM 724 O BASN A 26 -10.675 10.713 2.711 0.50 0.00 O ATOM 725 CB AASN A 26 -11.727 7.968 3.420 0.50 0.00 C ATOM 726 CB BASN A 26 -12.118 7.888 2.887 0.50 0.00 C ATOM 727 CG AASN A 26 -13.219 7.889 3.683 0.50 0.00 C ATOM 728 CG BASN A 26 -13.545 8.362 3.083 0.50 0.00 C ATOM 729 OD1AASN A 26 -14.026 8.373 2.893 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.992 8.577 4.209 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.590 7.274 4.801 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.270 8.524 1.981 0.50 0.00 N ATOM 0 H AASN A 26 -9.380 8.262 2.491 0.50 0.00 H new ATOM 0 H BASN A 26 -9.459 8.383 2.498 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.986 7.677 1.306 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.894 8.402 0.810 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.266 7.011 3.665 0.50 0.00 H new ATOM 0 HB2BASN A 26 -12.120 6.820 2.670 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.283 8.714 4.080 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.563 8.024 3.815 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.580 7.189 5.032 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.238 8.838 2.049 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.885 6.887 5.428 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.858 8.334 1.067 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.760 9.957 0.783 0.50 0.00 N ATOM 746 N BHIS A 27 -12.486 10.771 1.377 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.230 11.290 0.427 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.680 12.209 1.519 0.50 0.00 C ATOM 749 C AHIS A 27 -14.194 11.827 1.481 0.50 0.00 C ATOM 750 C BHIS A 27 -13.488 12.527 2.774 0.50 0.00 C ATOM 751 O AHIS A 27 -14.675 12.957 1.379 0.50 0.00 O ATOM 752 O BHIS A 27 -13.389 13.623 3.325 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.912 11.267 -0.941 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.388 12.774 0.287 0.50 0.00 C ATOM 755 CG AHIS A 27 -15.176 10.464 -0.965 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.627 12.019 -0.089 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.342 10.877 -0.352 0.50 0.00 N ATOM 758 ND1BHIS A 27 -14.598 10.787 -0.705 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.456 9.270 -1.535 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.935 12.330 0.066 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.282 9.969 -0.543 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.837 10.372 -0.913 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.770 8.984 -1.258 0.50 0.00 N ATOM 764 NE2BHIS A 27 -16.665 11.291 -0.454 0.50 0.00 N ATOM 0 H AHIS A 27 -13.223 9.199 0.282 0.50 0.00 H new ATOM 0 H BHIS A 27 -13.170 10.311 0.776 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.365 11.952 0.381 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.699 12.675 1.611 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -14.135 12.290 -1.244 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.649 13.816 0.474 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.219 10.860 -1.677 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.697 12.765 -0.556 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -16.459 11.747 0.167 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.773 8.656 -2.103 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -16.331 13.229 0.515 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.297 10.023 -0.177 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -16.122 9.440 -1.379 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -17.683 11.238 -0.481 0.50 0.00 H new ATOM 779 N AILE A 28 -14.475 11.008 2.489 0.50 0.00 N ATOM 780 N BILE A 28 -14.286 11.562 3.220 0.50 0.00 N ATOM 781 CA AILE A 28 -15.383 11.400 3.561 0.50 0.00 C ATOM 782 CA BILE A 28 -15.108 11.740 4.410 0.50 0.00 C ATOM 783 C AILE A 28 -14.615 11.950 4.759 0.50 0.00 C ATOM 784 C BILE A 28 -14.269 11.633 5.679 0.50 0.00 C ATOM 785 O AILE A 28 -14.949 13.009 5.291 0.50 0.00 O ATOM 786 O BILE A 28 -14.526 12.325 6.665 0.50 0.00 O ATOM 787 CB AILE A 28 -16.253 10.217 4.022 0.50 0.00 C ATOM 788 CB BILE A 28 -16.243 10.701 4.469 0.50 0.00 C ATOM 789 CG1AILE A 28 -17.097 9.690 2.860 0.50 0.00 C ATOM 790 CG1BILE A 28 -17.201 10.890 3.291 0.50 0.00 C ATOM 791 CG2AILE A 28 -17.145 10.636 5.183 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.992 10.809 5.789 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.277 8.853 3.300 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.406 9.977 3.339 0.50 0.00 C ATOM 0 H AILE A 28 -14.087 10.069 2.586 0.50 0.00 H new ATOM 0 H BILE A 28 -14.380 10.649 2.775 0.50 0.00 H new ATOM 0 HA AILE A 28 -16.029 12.180 3.158 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.542 12.738 4.348 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.597 9.416 4.362 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.806 9.705 4.401 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.460 10.534 2.273 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.541 11.926 3.272 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.464 9.094 2.203 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.660 10.715 2.361 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.754 9.789 5.498 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.791 10.068 5.816 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.526 10.967 6.017 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.303 10.629 6.614 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.794 11.452 4.867 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.419 11.807 5.884 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.829 8.514 2.424 0.50 0.00 H new ATOM 0 HD11BILE A 28 -19.041 10.166 2.473 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.921 7.989 3.861 0.50 0.00 H new ATOM 0 HD12BILE A 28 -18.076 8.938 3.327 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.932 9.452 3.932 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.971 10.168 4.252 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.583 11.225 5.176 0.50 0.00 N ATOM 818 N BTHR A 29 -13.264 10.764 5.647 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.767 11.640 6.310 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.387 10.568 6.793 0.50 0.00 C ATOM 821 C ATHR A 29 -11.384 12.094 5.855 0.50 0.00 C ATOM 822 C BTHR A 29 -11.176 11.493 6.723 0.50 0.00 C ATOM 823 O ATHR A 29 -10.505 12.356 6.675 0.50 0.00 O ATOM 824 O BTHR A 29 -10.622 11.883 7.750 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.609 10.501 7.336 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.901 9.109 6.886 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.998 9.364 6.714 0.50 0.00 O ATOM 828 OG1BTHR A 29 -11.026 8.815 5.791 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.957 10.105 7.916 0.50 0.00 C ATOM 830 CG2BTHR A 29 -13.077 8.146 6.874 0.50 0.00 C ATOM 0 H ATHR A 29 -13.292 10.347 4.746 0.50 0.00 H new ATOM 0 H BTHR A 29 -13.038 10.184 4.839 0.50 0.00 H new ATOM 0 HA ATHR A 29 -13.284 12.475 6.782 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.971 10.805 7.682 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.973 10.857 8.147 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.362 8.987 7.825 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.899 8.645 7.372 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.849 7.851 5.763 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.820 9.300 8.638 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.709 7.122 6.941 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.406 10.965 8.413 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.727 8.354 7.724 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.613 9.766 7.114 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.639 8.270 5.949 0.50 0.00 H new ATOM 845 N AASN A 30 -11.199 12.187 4.543 0.50 0.00 N ATOM 846 N BASN A 30 -10.772 11.838 5.506 0.50 0.00 N ATOM 847 CA AASN A 30 -9.923 12.609 3.978 0.50 0.00 C ATOM 848 CA BASN A 30 -9.626 12.718 5.303 0.50 0.00 C ATOM 849 C AASN A 30 -8.763 11.881 4.650 0.50 0.00 C ATOM 850 C BASN A 30 -8.335 12.040 5.753 0.50 0.00 C ATOM 851 O AASN A 30 -7.652 12.403 4.732 0.50 0.00 O ATOM 852 O BASN A 30 -7.433 12.690 6.281 0.50 0.00 O ATOM 853 CB AASN A 30 -9.749 14.123 4.135 0.50 0.00 C ATOM 854 CB BASN A 30 -9.820 14.028 6.067 0.50 0.00 C ATOM 855 CG AASN A 30 -11.068 14.865 4.067 0.50 0.00 C ATOM 856 CG BASN A 30 -9.475 15.243 5.229 0.50 0.00 C ATOM 857 OD1AASN A 30 -11.371 15.694 4.926 0.50 0.00 O ATOM 858 OD1BASN A 30 -10.207 16.232 5.217 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.861 14.573 3.044 0.50 0.00 N ATOM 860 ND2BASN A 30 -8.354 15.174 4.521 0.50 0.00 N ATOM 0 H AASN A 30 -11.917 11.976 3.850 0.50 0.00 H new ATOM 0 H BASN A 30 -11.220 11.523 4.646 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.922 12.357 2.918 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.550 12.935 4.238 0.50 0.00 H new ATOM 0 HB2AASN A 30 -9.265 14.334 5.089 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.855 14.102 6.399 0.50 0.00 H new ATOM 0 HB3AASN A 30 -9.086 14.493 3.353 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.198 14.019 6.962 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.761 15.042 2.947 0.50 0.00 H new ATOM 0 HD21BASN A 30 -8.070 15.961 3.937 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.570 13.879 2.355 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.777 14.334 4.561 0.50 0.00 H new ATOM 873 N AALA A 31 -9.029 10.670 5.127 0.50 0.00 N ATOM 874 N BALA A 31 -8.253 10.731 5.537 0.50 0.00 N ATOM 875 CA AALA A 31 -8.009 9.867 5.789 0.50 0.00 C ATOM 876 CA BALA A 31 -7.073 9.967 5.916 0.50 0.00 C ATOM 877 C AALA A 31 -7.303 8.948 4.796 0.50 0.00 C ATOM 878 C BALA A 31 -6.889 8.752 5.013 0.50 0.00 C ATOM 879 O AALA A 31 -7.866 8.587 3.763 0.50 0.00 O ATOM 880 O BALA A 31 -7.853 8.061 4.682 0.50 0.00 O ATOM 881 CB AALA A 31 -8.624 9.053 6.918 0.50 0.00 C ATOM 882 CB BALA A 31 -7.169 9.532 7.371 0.50 0.00 C ATOM 0 H AALA A 31 -9.944 10.223 5.067 0.50 0.00 H new ATOM 0 H BALA A 31 -8.991 10.178 5.101 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.266 10.545 6.209 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.203 10.612 5.796 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.849 8.459 7.402 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.280 8.962 7.640 0.50 0.00 H new ATOM 0 HB2AALA A 31 -9.075 9.726 7.648 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.243 10.412 8.010 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.390 8.391 6.514 0.50 0.00 H new ATOM 0 HB3BALA A 31 -8.054 8.910 7.507 0.50 0.00 H new ATOM 893 N ASER A 32 -6.068 8.574 5.117 0.50 0.00 N ATOM 894 N BSER A 32 -5.646 8.499 4.615 0.50 0.00 N ATOM 895 CA ASER A 32 -5.284 7.701 4.251 0.50 0.00 C ATOM 896 CA BSER A 32 -5.339 7.371 3.743 0.50 0.00 C ATOM 897 C ASER A 32 -4.683 6.545 5.045 0.50 0.00 C ATOM 898 C BSER A 32 -4.596 6.280 4.509 0.50 0.00 C ATOM 899 O ASER A 32 -4.063 6.754 6.089 0.50 0.00 O ATOM 900 O BSER A 32 -4.090 6.513 5.607 0.50 0.00 O ATOM 901 CB ASER A 32 -4.174 8.496 3.562 0.50 0.00 C ATOM 902 CB BSER A 32 -4.500 7.835 2.550 0.50 0.00 C ATOM 903 OG ASER A 32 -3.842 7.925 2.307 0.50 0.00 O ATOM 904 OG BSER A 32 -3.901 9.093 2.806 0.50 0.00 O ATOM 0 H ASER A 32 -5.589 8.862 5.970 0.50 0.00 H new ATOM 0 H BSER A 32 -4.836 9.059 4.882 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.949 7.289 3.492 0.50 0.00 H new ATOM 0 HA BSER A 32 -6.279 6.958 3.378 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.495 9.528 3.422 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.727 7.097 2.337 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.290 8.520 4.199 0.50 0.00 H new ATOM 0 HB3BSER A 32 -5.130 7.902 1.663 0.50 0.00 H new ATOM 0 HG ASER A 32 -4.472 7.204 2.099 0.50 0.00 H new ATOM 0 HG BSER A 32 -3.369 9.366 2.029 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.869 5.330 4.544 0.50 0.00 N ATOM 916 N BGLN A 33 -4.534 5.091 3.920 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.345 4.142 5.206 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.855 3.964 4.548 0.50 0.00 C ATOM 919 C AGLN A 33 -3.631 3.234 4.210 0.50 0.00 C ATOM 920 C BGLN A 33 -3.689 2.809 3.564 0.50 0.00 C ATOM 921 O AGLN A 33 -3.782 3.384 2.997 0.50 0.00 O ATOM 922 O BGLN A 33 -4.575 2.543 2.751 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.476 3.376 5.892 0.50 0.00 C ATOM 924 CB BGLN A 33 -4.631 3.491 5.778 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.253 3.167 7.383 0.50 0.00 C ATOM 926 CG BGLN A 33 -6.004 2.929 5.451 0.50 0.00 C ATOM 927 CD AGLN A 33 -5.492 1.735 7.813 0.50 0.00 C ATOM 928 CD BGLN A 33 -6.605 2.149 6.605 0.50 0.00 C ATOM 929 OE1AGLN A 33 -4.675 1.141 8.520 0.50 0.00 O ATOM 930 OE1BGLN A 33 -6.394 0.942 6.729 0.50 0.00 O ATOM 931 NE2AGLN A 33 -6.616 1.168 7.392 0.50 0.00 N ATOM 932 NE2BGLN A 33 -7.358 2.834 7.455 0.50 0.00 N ATOM 0 H AGLN A 33 -5.379 5.141 3.681 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.945 4.883 3.010 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.624 4.463 5.958 0.50 0.00 H new ATOM 0 HA BGLN A 33 -2.865 4.299 4.858 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.411 3.917 5.745 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -4.048 2.728 6.294 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.590 2.405 5.410 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -4.745 4.326 6.469 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -4.233 3.453 7.637 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -6.673 3.747 5.183 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -5.918 3.826 7.942 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -5.928 2.280 4.579 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.265 1.695 6.808 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -7.506 3.833 7.314 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -6.830 0.205 7.652 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.789 2.362 8.250 0.50 0.00 H new ATOM 949 N APHE A 34 -2.852 2.290 4.730 0.50 0.00 N ATOM 950 N BPHE A 34 -2.550 2.131 3.640 0.50 0.00 N ATOM 951 CA APHE A 34 -2.113 1.358 3.886 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.270 1.006 2.754 0.50 0.00 C ATOM 953 C APHE A 34 -2.582 -0.076 4.120 0.50 0.00 C ATOM 954 C BPHE A 34 -3.192 -0.171 3.061 0.50 0.00 C ATOM 955 O APHE A 34 -1.821 -1.025 3.941 0.50 0.00 O ATOM 956 O BPHE A 34 -3.605 -0.899 2.158 0.50 0.00 O ATOM 957 CB APHE A 34 -0.611 1.468 4.164 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.809 0.573 2.892 0.50 0.00 C ATOM 959 CG APHE A 34 0.180 1.960 2.987 0.50 0.00 C ATOM 960 CG BPHE A 34 0.170 1.691 2.677 0.50 0.00 C ATOM 961 CD1APHE A 34 0.789 3.204 3.016 0.50 0.00 C ATOM 962 CD1BPHE A 34 1.023 2.092 3.695 0.50 0.00 C ATOM 963 CD2APHE A 34 0.314 1.182 1.849 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.240 2.344 1.455 0.50 0.00 C ATOM 965 CE1APHE A 34 1.519 3.662 1.936 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.925 3.120 3.499 0.50 0.00 C ATOM 967 CE2APHE A 34 1.042 1.633 0.766 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.141 3.372 1.255 0.50 0.00 C ATOM 969 CZ APHE A 34 1.646 2.875 0.808 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.983 3.762 2.277 0.50 0.00 C ATOM 0 H APHE A 34 -2.717 2.151 5.731 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.805 2.340 4.305 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.303 1.618 2.845 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.451 1.329 1.729 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.454 2.143 5.005 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.655 0.152 3.886 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.232 0.491 4.464 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.604 -0.221 2.174 0.50 0.00 H new ATOM 0 HD1APHE A 34 0.692 3.824 3.895 0.50 0.00 H new ATOM 0 HD1BPHE A 34 0.981 1.594 4.653 0.50 0.00 H new ATOM 0 HD2APHE A 34 -0.157 0.211 1.808 0.50 0.00 H new ATOM 0 HD2BPHE A 34 -0.417 2.046 0.651 0.50 0.00 H new ATOM 0 HE1APHE A 34 1.989 4.633 1.974 0.50 0.00 H new ATOM 0 HE1BPHE A 34 2.584 3.421 4.300 0.50 0.00 H new ATOM 0 HE2APHE A 34 1.139 1.015 -0.114 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.187 3.871 0.298 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.216 3.229 -0.038 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.686 4.567 2.122 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.840 -0.222 4.520 0.50 0.00 N ATOM 990 N BGLU A 35 -3.508 -0.349 4.339 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.411 -1.540 4.779 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.378 -1.440 4.762 0.50 0.00 C ATOM 993 C AGLU A 35 -5.905 -1.558 4.466 0.50 0.00 C ATOM 994 C BGLU A 35 -5.834 -1.141 4.412 0.50 0.00 C ATOM 995 O AGLU A 35 -6.543 -0.508 4.374 0.50 0.00 O ATOM 996 O BGLU A 35 -6.233 0.019 4.310 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.179 -1.941 6.238 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.243 -1.673 6.268 0.50 0.00 C ATOM 999 CG AGLU A 35 -2.832 -2.600 6.482 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.806 -1.657 6.761 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.732 -1.595 6.751 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.380 -0.294 7.273 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -0.608 -1.794 6.243 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -1.878 0.513 6.463 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -1.991 -0.609 7.473 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -2.549 -0.034 8.482 0.50 0.00 O ATOM 0 H AGLU A 35 -4.484 0.554 4.672 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.176 0.246 5.098 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.913 -2.258 4.128 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.072 -2.342 4.232 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.259 -1.054 6.867 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.808 -0.906 6.798 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -4.970 -2.624 6.548 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.694 -2.633 6.520 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.913 -3.280 7.330 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.691 -2.392 7.557 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.564 -3.203 5.614 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.144 -1.959 5.950 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.453 -2.756 4.304 0.50 0.00 N ATOM 1020 N BARG A 36 -6.621 -2.196 4.230 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.871 -2.911 3.999 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.031 -2.047 3.890 0.50 0.00 C ATOM 1023 C AARG A 36 -8.727 -2.097 4.963 0.50 0.00 C ATOM 1024 C BARG A 36 -8.880 -1.886 5.147 0.50 0.00 C ATOM 1025 O AARG A 36 -8.875 -2.435 6.139 0.50 0.00 O ATOM 1026 O BARG A 36 -9.022 -2.808 5.951 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.271 -4.386 4.065 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.513 -3.256 3.085 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.732 -4.638 3.734 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.891 -3.068 2.470 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.916 -4.997 2.267 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.602 -4.399 2.279 0.50 0.00 C ATOM 1033 NE AARG A 36 -11.325 -5.126 1.908 0.50 0.00 N ATOM 1034 NE BARG A 36 -12.046 -4.278 2.457 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.755 -5.799 0.846 0.50 0.00 C ATOM 1036 CZ BARG A 36 -12.921 -5.151 1.973 0.50 0.00 C ATOM 1037 NH1AARG A 36 -10.889 -6.402 0.045 0.50 0.00 N ATOM 1038 NH1BARG A 36 -12.502 -6.205 1.285 0.50 0.00 N ATOM 1039 NH2AARG A 36 -13.054 -5.871 0.586 0.50 0.00 N ATOM 1040 NH2BARG A 36 -14.221 -4.973 2.176 0.50 0.00 N ATOM 0 H AARG A 36 -5.938 -3.634 4.378 0.50 0.00 H new ATOM 0 H BARG A 36 -6.307 -3.163 4.312 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.041 -2.541 2.988 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.140 -1.148 3.283 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.648 -4.954 3.374 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.795 -3.463 2.291 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.064 -4.765 5.066 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.531 -4.131 3.735 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.114 -5.446 4.358 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.491 -2.422 3.111 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.318 -3.750 3.969 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.796 -2.564 1.508 0.50 0.00 H new ATOM 0 HD2AARG A 36 -9.452 -4.231 1.645 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.391 -4.783 1.281 0.50 0.00 H new ATOM 0 HD3AARG A 36 -9.401 -5.934 2.056 0.50 0.00 H new ATOM 0 HD3BARG A 36 -10.209 -5.126 2.990 0.50 0.00 H new ATOM 0 HE AARG A 36 -12.018 -4.675 2.505 0.50 0.00 H new ATOM 0 HE BARG A 36 -12.402 -3.479 2.982 0.50 0.00 H new ATOM 0 HH11AARG A 36 -9.890 -6.350 0.243 0.50 0.00 H new ATOM 0 HH11BARG A 36 -11.504 -6.347 1.126 0.50 0.00 H new ATOM 0 HH12AARG A 36 -11.222 -6.918 -0.770 0.50 0.00 H new ATOM 0 HH12BARG A 36 -13.177 -6.874 0.915 0.50 0.00 H new ATOM 0 HH21AARG A 36 -13.724 -5.409 1.202 0.50 0.00 H new ATOM 0 HH21BARG A 36 -14.549 -4.164 2.705 0.50 0.00 H new ATOM 0 HH22AARG A 36 -13.383 -6.388 -0.229 0.50 0.00 H new ATOM 0 HH22BARG A 36 -14.892 -5.645 1.803 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.306 -0.998 4.459 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.459 -0.690 5.321 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.158 -0.113 5.258 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.305 -0.379 6.479 0.50 0.00 C ATOM 1071 C APRO A 37 -11.487 -0.764 5.626 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.634 -1.126 6.442 0.50 0.00 C ATOM 1073 O APRO A 37 -12.077 -1.488 4.824 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.161 -1.421 5.369 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.388 1.087 4.337 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.534 1.128 6.356 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.215 0.546 2.960 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.371 1.420 4.905 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.175 -0.535 3.067 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.333 0.455 4.402 0.50 0.00 C ATOM 0 HA APRO A 37 -9.695 0.146 6.210 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.838 -0.677 7.418 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.384 1.507 4.475 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.528 1.407 6.707 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.675 1.885 4.541 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.816 1.688 6.955 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.154 0.147 2.577 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.314 1.292 4.373 0.50 0.00 H new ATOM 0 HG3APRO A 37 -9.896 1.328 2.271 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.054 2.451 4.748 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.359 -1.341 2.357 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.522 0.164 3.369 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.175 -0.152 2.863 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.333 0.888 4.433 0.50 0.00 H new ATOM 1095 N ASER A 38 -11.953 -0.500 6.842 0.50 0.00 N ATOM 1096 N BSER A 38 -12.170 -1.430 7.619 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.212 -1.064 7.316 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.435 -2.146 7.722 0.50 0.00 C ATOM 1099 C ASER A 38 -14.236 0.039 7.580 0.50 0.00 C ATOM 1100 C BSER A 38 -14.598 -1.256 7.294 0.50 0.00 C ATOM 1101 O ASER A 38 -13.916 1.226 7.523 0.50 0.00 O ATOM 1102 O BSER A 38 -15.196 -1.461 6.238 0.50 0.00 O ATOM 1103 CB ASER A 38 -12.983 -1.878 8.590 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.654 -2.636 9.154 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.143 -2.612 8.941 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.614 -1.559 10.074 0.50 0.00 O ATOM 0 H ASER A 38 -11.479 0.100 7.517 0.50 0.00 H new ATOM 0 H BSER A 38 -11.747 -1.191 8.516 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.603 -1.721 6.539 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.392 -3.007 7.054 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.147 -2.562 8.443 0.50 0.00 H new ATOM 0 HB2BSER A 38 -14.616 -3.143 9.225 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.710 -1.211 9.407 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.888 -3.368 9.412 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.971 -3.125 9.758 0.50 0.00 H new ATOM 0 HG BSER A 38 -14.510 -1.410 10.442 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.469 -0.365 7.870 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.914 -0.265 8.123 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.520 0.599 8.138 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.005 0.641 7.813 0.50 0.00 C ATOM 1121 C AGLY A 39 -16.495 1.100 9.569 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.975 0.797 8.967 0.50 0.00 C ATOM 1123 O AGLY A 39 -15.461 1.595 10.012 0.50 0.00 O ATOM 1124 O BGLY A 39 -17.310 -0.177 9.642 0.50 0.00 O ATOM 0 H AGLY A 39 -15.759 -1.342 7.924 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.434 -0.074 9.003 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -16.415 1.445 7.458 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.599 1.617 7.550 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.488 0.143 7.933 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.542 0.273 6.939 0.50 0.00 H new