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= 0.118 K(o=0.078,f=-13!) USER MOD Set 1.2: A 29 THR OG1A: rot 2:sc= 0.742 USER MOD Set 1.3: A 29 THR OG1B: rot 180:sc= -0.782 USER MOD Single : A 6 LYS NZ A:NH3+ -162:sc= 0 (180deg=-0.0713) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.171 K(o=-0.17,f=-0.93) USER MOD Single : A 18 ASN B: amide:sc= -0.232 K(o=-0.23,f=-1.7!) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 19 SER OG B: rot -130:sc= 0.341 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 USER MOD Single : A 26 ASN B: amide:sc= -1.8 K(o=-1.8,f=-15!) USER MOD Single : A 27 HIS A:FLIP no HE2:sc= -1.12 F(o=-1.7,f=-1.1) USER MOD Single : A 27 HIS B: no HD1:sc= -0.358 X(o=-0.36,f=-0.46) USER MOD Single : A 30 ASN A: amide:sc= -0.211 X(o=-0.21,f=-0.052) USER MOD Single : A 30 ASN B: amide:sc= -0.398 X(o=-0.4,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= 0.0353 USER MOD Single : A 33 GLN A: amide:sc= -1.17 X(o=-1.2,f=-1.5) 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= -0.0433 USER MOD Single : A 38 SER OG B: rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -12.809 -3.357 -5.028 0.50 0.00 N ATOM 24 N BLYS A 6 -12.911 -4.696 -4.348 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.165 -4.245 -3.927 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.306 -5.010 -2.981 0.50 0.00 C ATOM 27 C ALYS A 6 -13.145 -3.494 -2.598 0.50 0.00 C ATOM 28 C BLYS A 6 -12.784 -3.957 -2.008 0.50 0.00 C ATOM 29 O ALYS A 6 -12.681 -4.018 -1.585 0.50 0.00 O ATOM 30 O BLYS A 6 -11.589 -3.901 -1.721 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.202 -5.432 -3.869 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.783 -6.392 -2.582 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.697 -6.572 -2.996 0.50 0.00 C ATOM 34 CG BLYS A 6 -11.282 -6.548 -2.759 0.50 0.00 C ATOM 35 CD ALYS A 6 -11.907 -7.847 -3.244 0.50 0.00 C ATOM 36 CD BLYS A 6 -10.901 -7.995 -3.026 0.50 0.00 C ATOM 37 CE ALYS A 6 -12.212 -8.432 -4.615 0.50 0.00 C ATOM 38 CE BLYS A 6 -11.367 -8.452 -4.398 0.50 0.00 C ATOM 39 NZ ALYS A 6 -11.054 -8.301 -5.544 0.50 0.00 N ATOM 40 NZ BLYS A 6 -10.621 -9.653 -4.866 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.175 -4.615 -4.102 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.395 -5.013 -2.936 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -12.036 -5.805 -4.880 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -13.039 -6.581 -1.540 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -11.238 -5.089 -3.493 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.292 -7.150 -3.178 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -12.615 -6.290 -1.946 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -10.945 -5.923 -3.586 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -13.753 -6.752 -3.196 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -10.770 -6.195 -1.864 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -10.840 -7.637 -3.166 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -9.819 -8.106 -2.953 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -12.145 -8.580 -2.473 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -11.340 -8.635 -2.260 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -12.476 -9.484 -4.510 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -12.433 -8.677 -4.363 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -13.079 -7.926 -5.041 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -11.236 -7.641 -5.115 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -11.380 -8.420 -6.524 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -10.968 -9.933 -5.805 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -10.625 -7.360 -5.434 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -9.607 -9.431 -4.924 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -10.347 -9.031 -5.323 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -10.766 -10.435 -4.196 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.653 -2.267 -2.609 0.50 0.00 N ATOM 68 N BLEU A 7 -13.689 -3.127 -1.502 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.695 -1.445 -1.404 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.319 -2.076 -0.558 0.50 0.00 C ATOM 71 C ALEU A 7 -15.131 -1.066 -1.053 0.50 0.00 C ATOM 72 C BLEU A 7 -14.559 -1.363 -0.027 0.50 0.00 C ATOM 73 O ALEU A 7 -16.030 -1.097 -1.895 0.50 0.00 O ATOM 74 O BLEU A 7 -15.614 -1.344 -0.661 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.854 -0.183 -1.594 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.384 -1.069 -1.227 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.363 -0.315 -1.278 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.027 -0.136 -2.255 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.786 -1.559 -1.938 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.970 1.306 -1.774 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.610 0.928 -1.727 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.342 -0.277 -3.605 0.50 0.00 C ATOM 0 H ALEU A 7 -14.042 -1.819 -3.439 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.683 -3.160 -1.728 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.282 -2.028 -0.581 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.801 -2.540 0.281 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -12.958 0.146 -2.628 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -11.924 -0.459 -0.450 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.270 0.604 -0.965 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.581 -1.619 -1.717 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.247 -0.414 -0.199 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.073 -0.419 -2.370 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.725 -1.637 -1.702 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.432 1.956 -2.517 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.306 -2.442 -1.567 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.507 1.396 -0.830 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -10.914 -1.490 -3.018 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.931 1.601 -1.630 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.551 0.816 -1.494 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.813 0.394 -4.324 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.733 1.059 -2.802 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.287 -0.021 -3.506 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.005 1.801 -1.207 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.435 -1.305 -3.954 0.50 0.00 H new ATOM 105 N APRO A 8 -15.351 -0.697 0.218 0.50 0.00 N ATOM 106 N BPRO A 8 -14.428 -0.760 1.165 0.50 0.00 N ATOM 107 CA APRO A 8 -16.675 -0.302 0.707 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.527 -0.031 1.806 0.50 0.00 C ATOM 109 C APRO A 8 -17.128 1.037 0.137 0.50 0.00 C ATOM 110 C BPRO A 8 -15.867 1.264 1.078 0.50 0.00 C ATOM 111 O APRO A 8 -16.372 1.741 -0.534 0.50 0.00 O ATOM 112 O BPRO A 8 -15.063 1.808 0.319 0.50 0.00 O ATOM 113 CB APRO A 8 -16.476 -0.199 2.221 0.50 0.00 C ATOM 114 CB BPRO A 8 -14.983 0.271 3.205 0.50 0.00 C ATOM 115 CG APRO A 8 -15.023 0.080 2.395 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.502 0.273 3.043 0.50 0.00 C ATOM 117 CD APRO A 8 -14.327 -0.639 1.273 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.200 -0.741 1.977 0.50 0.00 C ATOM 0 HA APRO A 8 -17.448 -1.012 0.411 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.452 -0.608 1.807 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.086 0.598 2.647 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.343 1.233 3.570 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.764 -1.123 2.722 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.302 -0.483 3.925 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.824 1.151 2.356 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.143 1.261 2.755 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.671 -0.274 3.364 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.007 0.014 3.979 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.438 -0.102 0.941 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.331 -0.454 1.385 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.003 -1.635 1.574 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -12.986 -1.721 2.404 0.50 0.00 H new ATOM 133 N APRO A 9 -18.391 1.401 0.408 0.50 0.00 N ATOM 134 N BPRO A 9 -17.085 1.775 1.311 0.50 0.00 N ATOM 135 CA APRO A 9 -18.971 2.660 -0.069 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.559 3.012 0.686 0.50 0.00 C ATOM 137 C APRO A 9 -18.369 3.876 0.626 0.50 0.00 C ATOM 138 C BPRO A 9 -16.835 4.245 1.220 0.50 0.00 C ATOM 139 O APRO A 9 -18.489 4.033 1.841 0.50 0.00 O ATOM 140 O BPRO A 9 -16.433 4.285 2.380 0.50 0.00 O ATOM 141 CB APRO A 9 -20.455 2.523 0.286 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.041 3.057 1.067 0.50 0.00 C ATOM 143 CG APRO A 9 -20.484 1.569 1.431 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.134 2.260 2.321 0.50 0.00 C ATOM 145 CD APRO A 9 -19.348 0.612 1.202 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.096 1.180 2.204 0.50 0.00 C ATOM 0 HA APRO A 9 -18.784 2.818 -1.131 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.381 3.020 -0.389 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.887 3.485 0.561 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.379 4.082 1.223 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.031 2.145 -0.559 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.665 2.632 0.281 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.367 2.094 2.379 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -18.950 2.885 3.195 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.436 1.041 1.475 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.130 1.833 2.439 0.50 0.00 H new ATOM 0 HD2APRO A 9 -18.910 0.277 2.142 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.673 0.922 3.175 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.675 -0.279 0.667 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.514 0.265 1.785 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.719 4.736 -0.154 0.50 0.00 N ATOM 162 N BGLY A 10 -16.673 5.247 0.361 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.108 5.927 0.405 0.50 0.00 C ATOM 164 CA BGLY A 10 -15.998 6.467 0.766 0.50 0.00 C ATOM 165 C AGLY A 10 -15.605 5.955 0.204 0.50 0.00 C ATOM 166 C BGLY A 10 -14.517 6.445 0.438 0.50 0.00 C ATOM 167 O AGLY A 10 -14.983 7.015 0.275 0.50 0.00 O ATOM 168 O BGLY A 10 -13.943 7.469 0.065 0.50 0.00 O ATOM 0 H AGLY A 10 -17.605 4.628 -1.162 0.50 0.00 H new ATOM 0 H BGLY A 10 -16.996 5.236 -0.606 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.550 6.810 -0.057 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.464 7.319 0.271 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.330 5.980 1.471 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.128 6.612 1.839 0.50 0.00 H new ATOM 175 N ATRP A 11 -15.021 4.790 -0.045 0.50 0.00 N ATOM 176 N BTRP A 11 -13.899 5.278 0.579 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.581 4.686 -0.254 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.477 5.128 0.296 0.50 0.00 C ATOM 179 C ATRP A 11 -13.252 4.595 -1.740 0.50 0.00 C ATOM 180 C BTRP A 11 -12.237 4.905 -1.193 0.50 0.00 C ATOM 181 O ATRP A 11 -14.085 4.175 -2.545 0.50 0.00 O ATOM 182 O BTRP A 11 -12.992 4.188 -1.851 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.026 3.463 0.479 0.50 0.00 C ATOM 184 CB BTRP A 11 -11.896 3.964 1.099 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.762 3.712 1.932 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.137 4.081 2.574 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.646 3.561 2.964 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.257 3.701 3.254 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.534 4.157 2.518 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.235 4.616 3.549 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.041 3.885 4.153 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.109 3.967 4.594 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.744 4.252 3.907 0.50 0.00 C ATOM 194 CE2BTRP A 11 -11.876 4.529 4.800 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.274 4.479 2.003 0.50 0.00 C ATOM 196 CE3BTRP A 11 -9.950 5.160 3.486 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.743 4.660 4.785 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.272 4.965 5.977 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.282 4.886 2.875 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.353 5.594 4.656 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.521 4.971 4.253 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.014 5.493 5.887 0.50 0.00 C ATOM 0 H ATRP A 11 -15.521 3.903 -0.107 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.360 4.422 0.888 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.115 5.585 0.148 0.50 0.00 H new ATOM 0 HA BTRP A 11 -11.975 6.050 0.591 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.732 2.638 0.381 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.331 3.031 0.740 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.100 3.149 -0.003 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.823 3.906 0.917 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.670 3.235 2.859 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.132 3.256 2.805 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.485 3.857 5.071 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -13.803 3.777 5.317 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.080 4.411 0.943 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.432 5.240 2.542 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.924 4.729 5.847 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -11.780 4.889 6.927 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.307 5.143 2.488 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.360 6.018 4.620 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.724 5.289 4.909 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.520 5.839 6.783 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.034 4.991 -2.098 0.50 0.00 N ATOM 224 N BGLU A 12 -11.185 5.524 -1.719 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.598 4.956 -3.488 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.848 5.389 -3.132 0.50 0.00 C ATOM 227 C AGLU A 12 -10.218 4.316 -3.609 0.50 0.00 C ATOM 228 C BGLU A 12 -9.545 4.615 -3.310 0.50 0.00 C ATOM 229 O AGLU A 12 -9.238 4.814 -3.052 0.50 0.00 O ATOM 230 O BGLU A 12 -8.615 4.750 -2.516 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.570 6.368 -4.075 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.727 6.770 -3.783 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.304 6.402 -5.569 0.50 0.00 C ATOM 234 CG BGLU A 12 -12.066 7.421 -4.080 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.158 7.814 -6.105 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.754 6.817 -5.290 0.50 0.00 C ATOM 237 OE1AGLU A 12 -10.799 7.962 -7.292 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.149 5.932 -5.932 0.50 0.00 O ATOM 239 OE2AGLU A 12 -11.400 8.767 -5.337 0.50 0.00 O ATOM 240 OE2BGLU A 12 -13.892 7.228 -5.595 0.50 0.00 O ATOM 0 H AGLU A 12 -11.333 5.339 -1.444 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.552 6.123 -1.189 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.311 4.352 -4.049 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.649 4.833 -3.619 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.524 6.855 -3.874 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -10.153 7.423 -3.126 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.802 6.949 -3.565 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.164 6.677 -4.712 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.396 5.840 -5.785 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.715 7.321 -3.210 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.120 5.902 -6.091 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.918 8.488 -4.246 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.147 3.207 -4.338 0.50 0.00 N ATOM 254 N BLYS A 13 -9.485 3.804 -4.361 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.889 2.498 -4.533 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.298 3.008 -4.646 0.50 0.00 C ATOM 257 C ALYS A 13 -8.047 3.172 -5.613 0.50 0.00 C ATOM 258 C BLYS A 13 -7.440 3.674 -5.716 0.50 0.00 C ATOM 259 O ALYS A 13 -8.429 3.202 -6.782 0.50 0.00 O ATOM 260 O BLYS A 13 -7.885 3.876 -6.845 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.156 1.039 -4.915 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.698 1.602 -5.102 0.50 0.00 C ATOM 263 CG ALYS A 13 -7.894 0.248 -5.210 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.519 0.733 -5.502 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.593 0.209 -6.700 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.966 -0.484 -6.294 0.50 0.00 C ATOM 267 CE ALYS A 13 -6.901 -1.085 -7.096 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.047 -0.746 -7.477 0.50 0.00 C ATOM 269 NZ ALYS A 13 -7.413 -1.615 -8.389 0.50 0.00 N ATOM 270 NZ BLYS A 13 -7.814 -1.082 -8.710 0.50 0.00 N ATOM 0 H ALYS A 13 -10.948 2.780 -4.804 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.245 3.681 -5.030 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.335 2.526 -3.595 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.713 2.934 -3.729 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.698 0.553 -4.104 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.244 1.110 -4.297 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.804 1.014 -5.791 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.381 1.684 -5.947 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.052 0.694 -4.680 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.820 1.319 -6.098 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -8.005 -0.769 -4.834 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.984 0.410 -4.609 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.521 0.313 -7.262 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.981 -1.358 -5.643 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -6.962 1.057 -6.967 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -8.985 -0.334 -6.650 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -5.827 -0.913 -7.174 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.431 0.134 -7.661 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -7.049 -1.830 -6.314 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -6.369 -1.565 -7.236 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -6.916 -2.498 -8.624 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -7.153 -1.254 -9.494 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -8.433 -1.803 -8.308 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -8.383 -1.937 -8.543 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -7.249 -0.915 -9.140 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -8.443 -0.290 -8.954 0.50 0.00 H new ATOM 297 N AARG A 14 -6.898 3.708 -5.212 0.50 0.00 N ATOM 298 N BARG A 14 -6.206 4.013 -5.354 0.50 0.00 N ATOM 299 CA AARG A 14 -6.002 4.380 -6.145 0.50 0.00 C ATOM 300 CA BARG A 14 -5.287 4.657 -6.282 0.50 0.00 C ATOM 301 C AARG A 14 -4.683 3.625 -6.272 0.50 0.00 C ATOM 302 C BARG A 14 -3.931 3.956 -6.279 0.50 0.00 C ATOM 303 O AARG A 14 -4.387 2.733 -5.476 0.50 0.00 O ATOM 304 O BARG A 14 -3.485 3.454 -5.249 0.50 0.00 O ATOM 305 CB AARG A 14 -5.738 5.815 -5.687 0.50 0.00 C ATOM 306 CB BARG A 14 -5.112 6.133 -5.919 0.50 0.00 C ATOM 307 CG AARG A 14 -7.002 6.640 -5.509 0.50 0.00 C ATOM 308 CG BARG A 14 -6.392 6.800 -5.445 0.50 0.00 C ATOM 309 CD AARG A 14 -6.939 7.933 -6.307 0.50 0.00 C ATOM 310 CD BARG A 14 -6.622 8.130 -6.145 0.50 0.00 C ATOM 311 NE AARG A 14 -8.122 8.765 -6.097 0.50 0.00 N ATOM 312 NE BARG A 14 -6.673 7.983 -7.598 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.514 9.712 -6.942 0.50 0.00 C ATOM 314 CZ BARG A 14 -7.261 8.859 -8.404 0.50 0.00 C ATOM 315 NH1AARG A 14 -7.822 9.946 -8.049 0.50 0.00 N ATOM 316 NH1BARG A 14 -7.844 9.939 -7.904 0.50 0.00 N ATOM 317 NH2AARG A 14 -9.601 10.426 -6.681 0.50 0.00 N ATOM 318 NH2BARG A 14 -7.266 8.654 -9.714 0.50 0.00 N ATOM 0 H AARG A 14 -6.566 3.690 -4.248 0.50 0.00 H new ATOM 0 H BARG A 14 -5.821 3.852 -4.423 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.485 4.400 -7.122 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.712 4.585 -7.283 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.194 5.792 -4.743 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.357 6.219 -5.138 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.093 6.307 -6.415 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.733 6.670 -6.789 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.866 6.057 -5.826 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.238 6.139 -5.632 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.143 6.869 -4.453 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.343 6.959 -4.368 0.50 0.00 H new ATOM 0 HD2AARG A 14 -6.048 8.492 -6.022 0.50 0.00 H new ATOM 0 HD2BARG A 14 -7.555 8.569 -5.792 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.843 7.700 -7.368 0.50 0.00 H new ATOM 0 HD3BARG A 14 -5.824 8.823 -5.879 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.677 8.610 -5.255 0.50 0.00 H new ATOM 0 HE BARG A 14 -6.233 7.163 -8.016 0.50 0.00 H new ATOM 0 HH11AARG A 14 -6.986 9.398 -8.253 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.842 10.100 -6.897 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.126 10.674 -8.696 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.295 10.610 -8.526 0.50 0.00 H new ATOM 0 HH21AARG A 14 -10.136 10.248 -5.831 0.50 0.00 H new ATOM 0 HH21BARG A 14 -6.818 7.824 -10.102 0.50 0.00 H new ATOM 0 HH22AARG A 14 -9.902 11.153 -7.330 0.50 0.00 H new ATOM 0 HH22BARG A 14 -7.718 9.327 -10.334 0.50 0.00 H new ATOM 345 N AMET A 15 -3.894 3.985 -7.278 0.50 0.00 N ATOM 346 N BMET A 15 -3.282 3.930 -7.438 0.50 0.00 N ATOM 347 CA AMET A 15 -2.606 3.340 -7.510 0.50 0.00 C ATOM 348 CA BMET A 15 -1.975 3.293 -7.566 0.50 0.00 C ATOM 349 C AMET A 15 -1.511 4.380 -7.730 0.50 0.00 C ATOM 350 C BMET A 15 -0.975 4.234 -8.228 0.50 0.00 C ATOM 351 O AMET A 15 -1.739 5.411 -8.361 0.50 0.00 O ATOM 352 O BMET A 15 -1.248 4.805 -9.282 0.50 0.00 O ATOM 353 CB AMET A 15 -2.689 2.406 -8.718 0.50 0.00 C ATOM 354 CB BMET A 15 -2.094 2.001 -8.379 0.50 0.00 C ATOM 355 CG AMET A 15 -1.800 1.178 -8.599 0.50 0.00 C ATOM 356 CG BMET A 15 -1.125 0.916 -7.939 0.50 0.00 C ATOM 357 SD AMET A 15 -0.439 1.189 -9.782 0.50 0.00 S ATOM 358 SD BMET A 15 -1.803 -0.743 -8.136 0.50 0.00 S ATOM 359 CE AMET A 15 -0.236 -0.566 -10.080 0.50 0.00 C ATOM 360 CE BMET A 15 -1.235 -1.148 -9.785 0.50 0.00 C ATOM 0 H AMET A 15 -4.123 4.720 -7.947 0.50 0.00 H new ATOM 0 H BMET A 15 -3.638 4.341 -8.301 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.355 2.755 -6.625 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.614 3.054 -6.566 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.722 2.085 -8.848 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.113 1.622 -8.297 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.412 2.960 -9.615 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.921 2.226 -9.431 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.397 1.123 -7.588 0.50 0.00 H new ATOM 0 HG2BMET A 15 -0.205 0.999 -8.518 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.402 0.282 -8.752 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.859 1.074 -6.894 0.50 0.00 H new ATOM 0 HE1AMET A 15 0.573 -0.723 -10.794 0.50 0.00 H new ATOM 0 HE1BMET A 15 -1.576 -2.148 -10.052 0.50 0.00 H new ATOM 0 HE2AMET A 15 0.005 -1.069 -9.143 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.637 -0.426 -10.496 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.162 -0.976 -10.484 0.50 0.00 H new ATOM 0 HE3BMET A 15 -0.146 -1.117 -9.813 0.50 0.00 H new ATOM 379 N ASER A 16 -0.323 4.099 -7.204 0.50 0.00 N ATOM 380 N BSER A 16 0.188 4.390 -7.600 0.50 0.00 N ATOM 381 CA ASER A 16 0.807 5.011 -7.339 0.50 0.00 C ATOM 382 CA BSER A 16 1.228 5.264 -8.125 0.50 0.00 C ATOM 383 C ASER A 16 1.751 4.545 -8.441 0.50 0.00 C ATOM 384 C BSER A 16 1.903 4.637 -9.341 0.50 0.00 C ATOM 385 O ASER A 16 1.760 3.371 -8.813 0.50 0.00 O ATOM 386 O BSER A 16 1.981 3.414 -9.458 0.50 0.00 O ATOM 387 CB ASER A 16 1.564 5.120 -6.015 0.50 0.00 C ATOM 388 CB BSER A 16 2.270 5.560 -7.045 0.50 0.00 C ATOM 389 OG ASER A 16 1.830 6.472 -5.687 0.50 0.00 O ATOM 390 OG BSER A 16 1.909 6.700 -6.285 0.50 0.00 O ATOM 0 H ASER A 16 -0.118 3.248 -6.681 0.50 0.00 H new ATOM 0 H BSER A 16 0.432 3.922 -6.727 0.50 0.00 H new ATOM 0 HA ASER A 16 0.419 5.993 -7.608 0.50 0.00 H new ATOM 0 HA BSER A 16 0.760 6.199 -8.433 0.50 0.00 H new ATOM 0 HB2ASER A 16 0.979 4.658 -5.220 0.50 0.00 H new ATOM 0 HB2BSER A 16 2.370 4.697 -6.386 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.502 4.568 -6.083 0.50 0.00 H new ATOM 0 HB3BSER A 16 3.243 5.722 -7.509 0.50 0.00 H new ATOM 0 HG ASER A 16 2.313 6.513 -4.835 0.50 0.00 H new ATOM 0 HG BSER A 16 2.591 6.866 -5.601 0.50 0.00 H new ATOM 401 N AARG A 17 2.549 5.474 -8.962 0.50 0.00 N ATOM 402 N BARG A 17 2.388 5.484 -10.244 0.50 0.00 N ATOM 403 CA AARG A 17 3.497 5.160 -10.022 0.50 0.00 C ATOM 404 CA BARG A 17 3.057 5.013 -11.451 0.50 0.00 C ATOM 405 C AARG A 17 4.894 4.931 -9.453 0.50 0.00 C ATOM 406 C BARG A 17 4.570 4.979 -11.259 0.50 0.00 C ATOM 407 O AARG A 17 5.113 5.061 -8.250 0.50 0.00 O ATOM 408 O BARG A 17 5.329 5.235 -12.192 0.50 0.00 O ATOM 409 CB AARG A 17 3.535 6.290 -11.054 0.50 0.00 C ATOM 410 CB BARG A 17 2.702 5.910 -12.639 0.50 0.00 C ATOM 411 CG AARG A 17 2.182 6.588 -11.681 0.50 0.00 C ATOM 412 CG BARG A 17 3.375 7.272 -12.595 0.50 0.00 C ATOM 413 CD AARG A 17 2.036 8.064 -12.014 0.50 0.00 C ATOM 414 CD BARG A 17 2.354 8.397 -12.555 0.50 0.00 C ATOM 415 NE AARG A 17 2.178 8.908 -10.831 0.50 0.00 N ATOM 416 NE BARG A 17 1.611 8.416 -11.299 0.50 0.00 N ATOM 417 CZ AARG A 17 1.225 9.060 -9.918 0.50 0.00 C ATOM 418 CZ BARG A 17 2.066 8.975 -10.183 0.50 0.00 C ATOM 419 NH1AARG A 17 0.067 8.425 -10.051 0.50 0.00 N ATOM 420 NH1BARG A 17 3.256 9.559 -10.167 0.50 0.00 N ATOM 421 NH2AARG A 17 1.427 9.846 -8.869 0.50 0.00 N ATOM 422 NH2BARG A 17 1.329 8.951 -9.079 0.50 0.00 N ATOM 0 H AARG A 17 2.556 6.450 -8.666 0.50 0.00 H new ATOM 0 H BARG A 17 2.330 6.499 -10.162 0.50 0.00 H new ATOM 0 HA AARG A 17 3.167 4.243 -10.509 0.50 0.00 H new ATOM 0 HA BARG A 17 2.713 3.999 -11.654 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.912 7.194 -10.576 0.50 0.00 H new ATOM 0 HB2BARG A 17 2.984 5.404 -13.562 0.50 0.00 H new ATOM 0 HB3AARG A 17 4.241 6.028 -11.842 0.50 0.00 H new ATOM 0 HB3BARG A 17 1.621 6.049 -12.669 0.50 0.00 H new ATOM 0 HG2AARG A 17 2.062 5.996 -12.588 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.019 7.333 -11.718 0.50 0.00 H new ATOM 0 HG3AARG A 17 1.388 6.288 -10.997 0.50 0.00 H new ATOM 0 HG3BARG A 17 4.015 7.391 -13.469 0.50 0.00 H new ATOM 0 HD2AARG A 17 2.787 8.345 -12.752 0.50 0.00 H new ATOM 0 HD2BARG A 17 2.861 9.352 -12.691 0.50 0.00 H new ATOM 0 HD3AARG A 17 1.061 8.238 -12.469 0.50 0.00 H new ATOM 0 HD3BARG A 17 1.658 8.285 -13.386 0.50 0.00 H new ATOM 0 HE AARG A 17 3.057 9.408 -10.698 0.50 0.00 H new ATOM 0 HE BARG A 17 0.691 7.976 -11.277 0.50 0.00 H new ATOM 0 HH11AARG A 17 -0.093 7.819 -10.856 0.50 0.00 H new ATOM 0 HH11BARG A 17 3.825 9.580 -11.013 0.50 0.00 H new ATOM 0 HH12AARG A 17 -0.663 8.543 -9.349 0.50 0.00 H new ATOM 0 HH12BARG A 17 3.602 9.987 -9.309 0.50 0.00 H new ATOM 0 HH21AARG A 17 2.316 10.335 -8.762 0.50 0.00 H new ATOM 0 HH21BARG A 17 0.413 8.503 -9.087 0.50 0.00 H new ATOM 0 HH22AARG A 17 0.694 9.961 -8.169 0.50 0.00 H new ATOM 0 HH22BARG A 17 1.679 9.380 -8.223 0.50 0.00 H new ATOM 449 N AASN A 18 5.835 4.588 -10.326 0.50 0.00 N ATOM 450 N BASN A 18 5.000 4.664 -10.041 0.50 0.00 N ATOM 451 CA AASN A 18 7.210 4.338 -9.909 0.50 0.00 C ATOM 452 CA BASN A 18 6.421 4.598 -9.724 0.50 0.00 C ATOM 453 C AASN A 18 7.302 3.072 -9.064 0.50 0.00 C ATOM 454 C BASN A 18 6.697 3.524 -8.676 0.50 0.00 C ATOM 455 O AASN A 18 7.741 2.026 -9.540 0.50 0.00 O ATOM 456 O BASN A 18 7.667 2.774 -8.784 0.50 0.00 O ATOM 457 CB AASN A 18 7.751 5.533 -9.121 0.50 0.00 C ATOM 458 CB BASN A 18 6.916 5.957 -9.223 0.50 0.00 C ATOM 459 CG AASN A 18 8.847 6.269 -9.864 0.50 0.00 C ATOM 460 CG BASN A 18 7.607 6.759 -10.309 0.50 0.00 C ATOM 461 OD1AASN A 18 9.636 5.662 -10.591 0.50 0.00 O ATOM 462 OD1BASN A 18 8.178 6.196 -11.243 0.50 0.00 O ATOM 463 ND2AASN A 18 8.904 7.583 -9.684 0.50 0.00 N ATOM 464 ND2BASN A 18 7.555 8.081 -10.192 0.50 0.00 N ATOM 0 H AASN A 18 5.671 4.477 -11.327 0.50 0.00 H new ATOM 0 H BASN A 18 4.383 4.450 -9.257 0.50 0.00 H new ATOM 0 HA AASN A 18 7.815 4.198 -10.805 0.50 0.00 H new ATOM 0 HA BASN A 18 6.959 4.336 -10.635 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.935 6.223 -8.907 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.072 6.527 -8.836 0.50 0.00 H new ATOM 0 HB3AASN A 18 8.136 5.187 -8.161 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.606 5.805 -8.393 0.50 0.00 H new ATOM 0 HD21AASN A 18 9.622 8.132 -10.157 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.000 8.673 -10.894 0.50 0.00 H new ATOM 0 HD22AASN A 18 8.230 8.044 -9.073 0.50 0.00 H new ATOM 0 HD22BASN A 18 7.070 8.504 -9.401 0.50 0.00 H new ATOM 477 N ASER A 19 6.883 3.175 -7.807 0.50 0.00 N ATOM 478 N BSER A 19 5.838 3.458 -7.666 0.50 0.00 N ATOM 479 CA ASER A 19 6.919 2.040 -6.893 0.50 0.00 C ATOM 480 CA BSER A 19 5.991 2.479 -6.596 0.50 0.00 C ATOM 481 C ASER A 19 5.808 1.045 -7.216 0.50 0.00 C ATOM 482 C BSER A 19 4.899 1.414 -6.674 0.50 0.00 C ATOM 483 O ASER A 19 5.905 -0.139 -6.896 0.50 0.00 O ATOM 484 O BSER A 19 5.029 0.332 -6.105 0.50 0.00 O ATOM 485 CB ASER A 19 6.787 2.518 -5.445 0.50 0.00 C ATOM 486 CB BSER A 19 5.946 3.170 -5.232 0.50 0.00 C ATOM 487 OG ASER A 19 7.966 2.243 -4.709 0.50 0.00 O ATOM 488 OG BSER A 19 4.685 3.774 -5.005 0.50 0.00 O ATOM 0 H ASER A 19 6.514 4.034 -7.398 0.50 0.00 H new ATOM 0 H BSER A 19 5.029 4.070 -7.565 0.50 0.00 H new ATOM 0 HA ASER A 19 7.879 1.538 -7.016 0.50 0.00 H new ATOM 0 HA BSER A 19 6.959 1.994 -6.718 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.586 3.589 -5.429 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.151 2.443 -4.446 0.50 0.00 H new ATOM 0 HB3ASER A 19 5.936 2.027 -4.972 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.729 3.926 -5.178 0.50 0.00 H new ATOM 0 HG ASER A 19 7.858 2.559 -3.788 0.50 0.00 H new ATOM 0 HG BSER A 19 4.814 4.701 -4.716 0.50 0.00 H new ATOM 499 N AGLY A 20 4.748 1.537 -7.853 0.50 0.00 N ATOM 500 N BGLY A 20 3.821 1.732 -7.386 0.50 0.00 N ATOM 501 CA AGLY A 20 3.632 0.682 -8.207 0.50 0.00 C ATOM 502 CA BGLY A 20 2.723 0.794 -7.526 0.50 0.00 C ATOM 503 C AGLY A 20 2.931 0.109 -6.993 0.50 0.00 C ATOM 504 C BGLY A 20 2.194 0.317 -6.188 0.50 0.00 C ATOM 505 O AGLY A 20 2.379 -0.991 -7.046 0.50 0.00 O ATOM 506 O BGLY A 20 1.680 -0.798 -6.079 0.50 0.00 O ATOM 0 H AGLY A 20 4.644 2.513 -8.130 0.50 0.00 H new ATOM 0 H BGLY A 20 3.689 2.622 -7.867 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.917 1.251 -8.800 0.50 0.00 H new ATOM 0 HA2BGLY A 20 1.915 1.266 -8.085 0.50 0.00 H new ATOM 0 HA3AGLY A 20 3.989 -0.134 -8.835 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.055 -0.065 -8.109 0.50 0.00 H new ATOM 513 N AARG A 21 2.953 0.853 -5.892 0.50 0.00 N ATOM 514 N BARG A 21 2.321 1.158 -5.169 0.50 0.00 N ATOM 515 CA AARG A 21 2.317 0.411 -4.658 0.50 0.00 C ATOM 516 CA BARG A 21 1.855 0.813 -3.830 0.50 0.00 C ATOM 517 C AARG A 21 0.839 0.790 -4.642 0.50 0.00 C ATOM 518 C BARG A 21 0.394 1.212 -3.644 0.50 0.00 C ATOM 519 O AARG A 21 0.368 1.533 -5.504 0.50 0.00 O ATOM 520 O BARG A 21 0.094 2.261 -3.072 0.50 0.00 O ATOM 521 CB AARG A 21 3.024 1.024 -3.447 0.50 0.00 C ATOM 522 CB BARG A 21 2.722 1.499 -2.773 0.50 0.00 C ATOM 523 CG AARG A 21 3.972 0.065 -2.746 0.50 0.00 C ATOM 524 CG BARG A 21 3.762 0.584 -2.151 0.50 0.00 C ATOM 525 CD AARG A 21 5.243 0.765 -2.296 0.50 0.00 C ATOM 526 CD BARG A 21 5.040 1.338 -1.817 0.50 0.00 C ATOM 527 NE AARG A 21 4.987 1.737 -1.233 0.50 0.00 N ATOM 528 NE BARG A 21 4.835 2.322 -0.758 0.50 0.00 N ATOM 529 CZ AARG A 21 4.880 3.043 -1.443 0.50 0.00 C ATOM 530 CZ BARG A 21 4.645 3.616 -0.985 0.50 0.00 C ATOM 531 NH1AARG A 21 5.006 3.535 -2.668 0.50 0.00 N ATOM 532 NH1BARG A 21 4.633 4.081 -2.226 0.50 0.00 N ATOM 533 NH2AARG A 21 4.646 3.862 -0.426 0.50 0.00 N ATOM 534 NH2BARG A 21 4.465 4.450 0.031 0.50 0.00 N ATOM 0 H AARG A 21 3.405 1.765 -5.830 0.50 0.00 H new ATOM 0 H BARG A 21 2.743 2.084 -5.243 0.50 0.00 H new ATOM 0 HA AARG A 21 2.397 -0.675 -4.606 0.50 0.00 H new ATOM 0 HA BARG A 21 1.936 -0.267 -3.710 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.582 1.903 -3.769 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.226 2.352 -3.227 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.274 1.367 -2.734 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.078 1.891 -1.986 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.473 -0.375 -1.883 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.357 0.134 -1.245 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.226 -0.754 -3.419 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.988 -0.231 -2.838 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.960 0.023 -1.944 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.809 0.629 -1.509 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.699 1.270 -3.147 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.409 1.840 -2.711 0.50 0.00 H new ATOM 0 HE AARG A 21 4.885 1.392 -0.278 0.50 0.00 H new ATOM 0 HE BARG A 21 4.838 1.997 0.209 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.186 2.909 -3.453 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.770 3.444 -3.011 0.50 0.00 H new ATOM 0 HH12AARG A 21 4.923 4.539 -2.825 0.50 0.00 H new ATOM 0 HH12BARG A 21 4.487 5.076 -2.396 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.548 3.488 0.518 0.50 0.00 H new ATOM 0 HH21BARG A 21 4.473 4.097 0.988 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.564 4.866 -0.588 0.50 0.00 H new ATOM 0 HH22BARG A 21 4.319 5.444 -0.145 0.50 0.00 H new ATOM 561 N AVAL A 22 0.112 0.274 -3.655 0.50 0.00 N ATOM 562 N BVAL A 22 -0.511 0.370 -4.131 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.313 0.557 -3.526 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.940 0.633 -4.018 0.50 0.00 C ATOM 565 C AVAL A 22 -1.594 1.418 -2.301 0.50 0.00 C ATOM 566 C BVAL A 22 -2.323 0.985 -2.584 0.50 0.00 C ATOM 567 O AVAL A 22 -0.986 1.230 -1.245 0.50 0.00 O ATOM 568 O BVAL A 22 -1.816 0.390 -1.633 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.138 -0.739 -3.430 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.773 -0.578 -4.477 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.613 -0.422 -3.238 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.708 -1.693 -3.446 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.926 -1.599 -4.667 0.50 0.00 C ATOM 574 CG2BVAL A 22 -4.214 -0.166 -4.738 0.50 0.00 C ATOM 0 H AVAL A 22 0.487 -0.342 -2.933 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.279 -0.501 -4.608 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.609 1.100 -4.424 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.157 1.481 -4.668 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.796 -1.302 -2.561 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.352 -0.953 -5.410 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.179 -1.351 -3.172 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.303 -2.540 -3.788 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.746 0.149 -2.319 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.672 -2.006 -3.314 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -3.973 0.163 -4.084 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.102 -1.333 -2.496 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.517 -2.511 -4.582 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.788 -1.034 -5.061 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.238 -1.046 -5.553 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.649 0.236 -3.823 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.871 -1.857 -4.754 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -4.239 0.596 -5.517 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.517 2.362 -2.445 0.50 0.00 N ATOM 594 N BTYR A 23 -3.218 1.954 -2.438 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.876 3.253 -1.348 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.668 2.386 -1.121 0.50 0.00 C ATOM 597 C ATYR A 23 -4.331 3.696 -1.462 0.50 0.00 C ATOM 598 C BTYR A 23 -5.132 2.815 -1.157 0.50 0.00 C ATOM 599 O ATYR A 23 -4.818 3.993 -2.554 0.50 0.00 O ATOM 600 O BTYR A 23 -5.765 2.809 -2.213 0.50 0.00 O ATOM 601 CB ATYR A 23 -1.957 4.477 -1.335 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.800 3.539 -0.615 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.213 5.436 -2.475 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.828 4.757 -1.514 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.059 6.527 -2.314 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.646 5.840 -1.223 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.609 5.255 -3.713 0.50 0.00 C ATOM 608 CD2BTYR A 23 -2.035 4.821 -2.651 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.296 7.407 -3.353 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.677 6.953 -2.040 0.50 0.00 C ATOM 611 CE2ATYR A 23 -1.837 6.130 -4.756 0.50 0.00 C ATOM 612 CE2BTYR A 23 -2.058 5.931 -3.475 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.682 7.206 -4.571 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.879 6.995 -3.164 0.50 0.00 C ATOM 615 OH ATYR A 23 -2.914 8.078 -5.608 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.905 8.101 -3.982 0.50 0.00 O ATOM 0 H ATYR A 23 -3.030 2.530 -3.310 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.647 2.456 -3.216 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.753 2.706 -0.413 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.573 1.541 -0.439 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.083 5.006 -0.390 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.136 3.825 0.382 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -0.920 4.143 -1.377 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.771 3.193 -0.518 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.539 6.690 -1.361 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -4.270 5.812 -0.342 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -0.948 4.414 -3.862 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.390 3.991 -2.896 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -3.959 8.248 -3.212 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.322 7.785 -1.800 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.357 5.974 -5.711 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.436 5.965 -4.358 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.404 7.793 -6.395 0.50 0.00 H new ATOM 0 HH BTYR A 23 -2.284 7.970 -4.729 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.020 3.741 -0.328 0.50 0.00 N ATOM 636 N BTYR A 24 -5.662 3.185 0.002 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.420 4.146 -0.298 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.052 3.617 0.105 0.50 0.00 C ATOM 639 C ATYR A 24 -6.566 5.564 0.246 0.50 0.00 C ATOM 640 C BTYR A 24 -7.149 4.997 0.746 0.50 0.00 C ATOM 641 O ATYR A 24 -5.732 6.032 1.022 0.50 0.00 O ATOM 642 O BTYR A 24 -6.684 5.209 1.866 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.237 3.174 0.554 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.863 2.606 0.919 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.011 1.721 0.202 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.922 1.232 0.292 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.260 1.251 -1.082 0.50 0.00 C ATOM 648 CD1BTYR A 24 -6.925 0.294 0.530 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.550 0.817 1.150 0.50 0.00 C ATOM 650 CD2BTYR A 24 -8.975 0.870 -0.538 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.057 -0.075 -1.411 0.50 0.00 C ATOM 652 CE1BTYR A 24 -6.974 -0.962 -0.042 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.341 -0.509 0.831 0.50 0.00 C ATOM 654 CE2BTYR A 24 -9.035 -0.385 -1.111 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.597 -0.952 -0.450 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.033 -1.297 -0.861 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.391 -2.273 -0.772 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.086 -2.549 -1.431 0.50 0.00 O ATOM 0 H ATYR A 24 -4.631 3.502 0.584 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.151 3.195 0.885 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.798 4.128 -1.320 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.463 3.676 -0.903 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -6.988 3.327 1.604 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.429 2.523 1.916 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.296 3.406 0.440 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.878 2.983 1.044 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.619 1.935 -1.837 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -6.097 0.552 1.174 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.351 1.158 2.155 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -9.761 1.583 -0.739 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.257 -0.423 -2.414 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -6.188 -1.678 0.150 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -5.979 -1.197 1.581 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -9.863 -0.650 -1.752 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.065 -2.755 0.017 0.50 0.00 H new ATOM 0 HH BTYR A 24 -8.895 -2.625 -1.978 0.50 0.00 H new ATOM 677 N APHE A 25 -7.632 6.242 -0.166 0.50 0.00 N ATOM 678 N BPHE A 25 -7.757 5.934 0.026 0.50 0.00 N ATOM 679 CA APHE A 25 -7.888 7.607 0.280 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.915 7.297 0.523 0.50 0.00 C ATOM 681 C APHE A 25 -9.356 7.790 0.653 0.50 0.00 C ATOM 682 C BPHE A 25 -9.377 7.727 0.469 0.50 0.00 C ATOM 683 O APHE A 25 -10.251 7.455 -0.122 0.50 0.00 O ATOM 684 O BPHE A 25 -10.007 7.695 -0.585 0.50 0.00 O ATOM 685 CB APHE A 25 -7.499 8.604 -0.812 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.057 8.263 -0.296 0.50 0.00 C ATOM 687 CG APHE A 25 -6.809 9.830 -0.288 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.218 9.700 0.112 0.50 0.00 C ATOM 689 CD1APHE A 25 -5.438 9.841 -0.094 0.50 0.00 C ATOM 690 CD1BPHE A 25 -6.450 10.235 1.132 0.50 0.00 C ATOM 691 CD2APHE A 25 -7.533 10.972 0.015 0.50 0.00 C ATOM 692 CD2BPHE A 25 -8.138 10.518 -0.527 0.50 0.00 C ATOM 693 CE1APHE A 25 -4.799 10.969 0.390 0.50 0.00 C ATOM 694 CE1BPHE A 25 -6.596 11.557 1.509 0.50 0.00 C ATOM 695 CE2APHE A 25 -6.900 12.103 0.496 0.50 0.00 C ATOM 696 CE2BPHE A 25 -8.288 11.839 -0.154 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.533 12.099 0.686 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.516 12.359 0.865 0.50 0.00 C ATOM 0 H APHE A 25 -8.332 5.869 -0.807 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.148 5.775 -0.903 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.280 7.794 1.165 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.585 7.320 1.562 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.845 8.108 -1.529 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.009 7.980 -0.196 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.396 8.905 -1.353 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.315 8.162 -1.350 0.50 0.00 H new ATOM 0 HD1APHE A 25 -4.860 8.958 -0.323 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -5.728 9.612 1.639 0.50 0.00 H new ATOM 0 HD2APHE A 25 -8.604 10.979 -0.126 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -8.744 10.117 -1.326 0.50 0.00 H new ATOM 0 HE1APHE A 25 -3.729 10.965 0.536 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -5.991 11.962 2.307 0.50 0.00 H new ATOM 0 HE2APHE A 25 -7.475 12.989 0.723 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -9.009 12.465 -0.659 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.038 12.980 1.066 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -7.632 13.392 1.158 0.50 0.00 H new ATOM 717 N AASN A 26 -9.595 8.325 1.845 0.50 0.00 N ATOM 718 N BASN A 26 -9.910 8.132 1.618 0.50 0.00 N ATOM 719 CA AASN A 26 -10.955 8.553 2.323 0.50 0.00 C ATOM 720 CA BASN A 26 -11.300 8.569 1.705 0.50 0.00 C ATOM 721 C AASN A 26 -11.398 9.986 2.039 0.50 0.00 C ATOM 722 C BASN A 26 -11.390 10.091 1.730 0.50 0.00 C ATOM 723 O AASN A 26 -10.850 10.937 2.596 0.50 0.00 O ATOM 724 O BASN A 26 -10.851 10.742 2.626 0.50 0.00 O ATOM 725 CB AASN A 26 -11.047 8.266 3.823 0.50 0.00 C ATOM 726 CB BASN A 26 -11.962 7.988 2.955 0.50 0.00 C ATOM 727 CG AASN A 26 -12.477 8.274 4.327 0.50 0.00 C ATOM 728 CG BASN A 26 -13.431 8.353 3.054 0.50 0.00 C ATOM 729 OD1AASN A 26 -12.907 9.215 4.994 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.981 9.003 2.165 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.220 7.220 4.012 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.073 7.935 4.139 0.50 0.00 N ATOM 0 H AASN A 26 -8.865 8.609 2.499 0.50 0.00 H new ATOM 0 H BASN A 26 -9.401 8.167 2.501 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.619 7.873 1.790 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.825 8.205 0.822 0.50 0.00 H new ATOM 0 HB2AASN A 26 -10.596 7.296 4.033 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.860 6.903 2.946 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.468 9.011 4.369 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.440 8.350 3.841 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.189 7.167 4.325 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.063 8.150 4.261 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.822 6.463 3.457 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.576 7.399 4.850 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.394 10.131 1.172 0.50 0.00 N ATOM 746 N BHIS A 27 -12.076 10.655 0.740 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.913 11.446 0.816 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.239 12.101 0.648 0.50 0.00 C ATOM 749 C AHIS A 27 -13.945 11.919 1.835 0.50 0.00 C ATOM 750 C BHIS A 27 -13.149 12.617 1.757 0.50 0.00 C ATOM 751 O AHIS A 27 -14.536 12.988 1.685 0.50 0.00 O ATOM 752 O BHIS A 27 -13.257 13.825 1.975 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.538 11.411 -0.580 0.50 0.00 C ATOM 754 CB BHIS A 27 -12.810 12.486 -0.717 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.894 10.774 -0.613 0.50 0.00 C ATOM 756 CG BHIS A 27 -13.926 11.598 -1.172 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.106 11.259 -0.259 0.50 0.00 N flip ATOM 758 ND1BHIS A 27 -15.193 11.645 -0.630 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.111 9.485 -1.049 0.50 0.00 C flip ATOM 760 CD2BHIS A 27 -13.960 10.636 -2.123 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.026 10.263 -0.486 0.50 0.00 C flip ATOM 762 CE1BHIS A 27 -15.959 10.750 -1.228 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.397 9.204 -0.965 0.50 0.00 N flip ATOM 764 NE2BHIS A 27 -15.235 10.125 -2.138 0.50 0.00 N ATOM 0 H AHIS A 27 -12.858 9.353 0.703 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.528 10.132 -0.010 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.080 12.149 0.816 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.257 12.560 0.765 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.615 12.430 -0.961 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.169 13.514 -0.674 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -12.874 10.868 -1.253 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.010 12.458 -1.457 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -16.301 12.190 0.108 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.347 8.810 -1.404 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -13.138 10.328 -2.752 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.088 10.334 -0.303 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -17.000 10.562 -1.010 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -15.568 9.383 -2.753 0.50 0.00 H new ATOM 779 N AILE A 28 -14.155 11.115 2.872 0.50 0.00 N ATOM 780 N BILE A 28 -13.804 11.695 2.456 0.50 0.00 N ATOM 781 CA AILE A 28 -15.114 11.450 3.917 0.50 0.00 C ATOM 782 CA BILE A 28 -14.705 12.057 3.542 0.50 0.00 C ATOM 783 C AILE A 28 -14.435 12.173 5.075 0.50 0.00 C ATOM 784 C BILE A 28 -13.939 12.269 4.844 0.50 0.00 C ATOM 785 O AILE A 28 -15.020 13.061 5.696 0.50 0.00 O ATOM 786 O BILE A 28 -14.162 13.249 5.558 0.50 0.00 O ATOM 787 CB AILE A 28 -15.825 10.195 4.454 0.50 0.00 C ATOM 788 CB BILE A 28 -15.781 10.978 3.764 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.741 9.601 3.383 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.557 10.726 2.469 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.617 10.530 5.710 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.728 11.394 4.882 0.50 0.00 C ATOM 793 CD1AILE A 28 -17.591 8.453 3.882 0.50 0.00 C ATOM 794 CD1BILE A 28 -17.892 10.049 2.685 0.50 0.00 C ATOM 0 H AILE A 28 -13.673 10.227 3.011 0.50 0.00 H new ATOM 0 H BILE A 28 -13.727 10.692 2.289 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.855 12.110 3.465 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.190 12.989 3.252 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.070 9.452 4.711 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.288 10.051 4.058 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.394 10.385 2.999 0.50 0.00 H new ATOM 0 HG12BILE A 28 -16.719 11.677 1.962 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.133 9.255 2.547 0.50 0.00 H new ATOM 0 HG13BILE A 28 -15.950 10.110 1.805 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.114 9.632 6.077 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.482 10.621 5.026 0.50 0.00 H new ATOM 0 HG22AILE A 28 -15.941 10.910 6.476 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.164 11.528 5.805 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.364 11.289 5.477 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.216 12.332 4.616 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.215 8.082 3.069 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.385 9.903 1.724 0.50 0.00 H new ATOM 0 HD12AILE A 28 -16.945 7.651 4.239 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.736 9.082 3.164 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.226 8.798 4.698 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.518 10.674 3.323 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.196 11.787 5.360 0.50 0.00 N ATOM 818 N BTHR A 29 -13.033 11.346 5.149 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.436 12.398 6.443 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.231 11.432 6.364 0.50 0.00 C ATOM 821 C ATHR A 29 -10.992 12.654 6.027 0.50 0.00 C ATOM 822 C BTHR A 29 -10.953 12.226 6.124 0.50 0.00 C ATOM 823 O ATHR A 29 -10.115 12.833 6.870 0.50 0.00 O ATOM 824 O BTHR A 29 -10.371 12.778 7.058 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.444 11.513 7.705 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.863 10.033 6.894 0.50 0.00 C ATOM 827 OG1ATHR A 29 -12.310 10.136 7.337 0.50 0.00 O ATOM 828 OG1BTHR A 29 -11.160 9.297 5.885 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.729 11.709 8.495 0.50 0.00 C ATOM 830 CG2BTHR A 29 -13.108 9.266 7.313 0.50 0.00 C ATOM 0 H ATHR A 29 -12.697 11.054 4.856 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.836 10.529 4.571 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.920 13.348 6.670 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.839 11.946 7.109 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.602 11.805 8.333 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.222 10.157 7.767 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -12.215 10.065 6.364 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.928 8.409 6.230 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.712 11.074 9.381 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.822 8.282 7.683 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -13.814 12.753 8.798 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.625 9.814 8.101 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.583 11.441 7.873 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.771 9.152 6.455 0.50 0.00 H new ATOM 845 N AASN A 30 -10.753 12.669 4.719 0.50 0.00 N ATOM 846 N BASN A 30 -10.523 12.280 4.869 0.50 0.00 N ATOM 847 CA AASN A 30 -9.414 12.903 4.189 0.50 0.00 C ATOM 848 CA BASN A 30 -9.312 13.009 4.507 0.50 0.00 C ATOM 849 C AASN A 30 -8.388 12.029 4.901 0.50 0.00 C ATOM 850 C BASN A 30 -8.073 12.316 5.069 0.50 0.00 C ATOM 851 O AASN A 30 -7.208 12.373 4.974 0.50 0.00 O ATOM 852 O BASN A 30 -7.169 12.969 5.591 0.50 0.00 O ATOM 853 CB AASN A 30 -9.036 14.378 4.338 0.50 0.00 C ATOM 854 CB BASN A 30 -9.384 14.449 5.024 0.50 0.00 C ATOM 855 CG AASN A 30 -10.244 15.294 4.286 0.50 0.00 C ATOM 856 CG BASN A 30 -8.742 15.437 4.069 0.50 0.00 C ATOM 857 OD1AASN A 30 -10.443 16.128 5.169 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.298 16.500 3.792 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.058 15.140 3.247 0.50 0.00 N ATOM 860 ND2BASN A 30 -7.566 15.089 3.561 0.50 0.00 N ATOM 0 H AASN A 30 -11.469 12.522 4.007 0.50 0.00 H new ATOM 0 H BASN A 30 -10.994 11.828 4.085 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.417 12.640 3.131 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.237 13.024 3.420 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.515 14.523 5.284 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.427 14.724 5.181 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.340 14.654 3.545 0.50 0.00 H new ATOM 0 HB3BASN A 30 -8.889 14.510 5.993 0.50 0.00 H new ATOM 0 HD21AASN A 30 -11.888 15.727 3.158 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.086 15.713 2.913 0.50 0.00 H new ATOM 0 HD22AASN A 30 -10.853 14.435 2.539 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.143 14.198 3.819 0.50 0.00 H new ATOM 873 N AALA A 31 -8.843 10.897 5.427 0.50 0.00 N ATOM 874 N BALA A 31 -8.039 10.994 4.957 0.50 0.00 N ATOM 875 CA AALA A 31 -7.965 9.973 6.130 0.50 0.00 C ATOM 876 CA BALA A 31 -6.911 10.215 5.450 0.50 0.00 C ATOM 877 C AALA A 31 -7.245 9.047 5.154 0.50 0.00 C ATOM 878 C BALA A 31 -6.614 9.034 4.531 0.50 0.00 C ATOM 879 O AALA A 31 -7.772 8.722 4.090 0.50 0.00 O ATOM 880 O BALA A 31 -7.528 8.410 3.992 0.50 0.00 O ATOM 881 CB AALA A 31 -8.757 9.159 7.145 0.50 0.00 C ATOM 882 CB BALA A 31 -7.186 9.726 6.866 0.50 0.00 C ATOM 0 H AALA A 31 -9.817 10.598 5.379 0.50 0.00 H new ATOM 0 H BALA A 31 -8.780 10.439 4.529 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.212 10.559 6.657 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.034 10.862 5.463 0.50 0.00 H new ATOM 0 HB1AALA A 31 -8.087 8.472 7.663 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.335 9.145 7.222 0.50 0.00 H new ATOM 0 HB2AALA A 31 -9.219 9.830 7.869 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.342 10.582 7.523 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.532 8.591 6.631 0.50 0.00 H new ATOM 0 HB3BALA A 31 -8.079 9.100 6.868 0.50 0.00 H new ATOM 893 N ASER A 32 -6.039 8.628 5.523 0.50 0.00 N ATOM 894 N BSER A 32 -5.332 8.737 4.353 0.50 0.00 N ATOM 895 CA ASER A 32 -5.246 7.746 4.677 0.50 0.00 C ATOM 896 CA BSER A 32 -4.914 7.636 3.493 0.50 0.00 C ATOM 897 C ASER A 32 -4.720 6.556 5.475 0.50 0.00 C ATOM 898 C BSER A 32 -4.482 6.432 4.325 0.50 0.00 C ATOM 899 O ASER A 32 -4.368 6.688 6.647 0.50 0.00 O ATOM 900 O BSER A 32 -4.120 6.569 5.493 0.50 0.00 O ATOM 901 CB ASER A 32 -4.077 8.513 4.056 0.50 0.00 C ATOM 902 CB BSER A 32 -3.768 8.077 2.582 0.50 0.00 C ATOM 903 OG ASER A 32 -2.906 7.715 4.017 0.50 0.00 O ATOM 904 OG BSER A 32 -3.100 9.209 3.113 0.50 0.00 O ATOM 0 H ASER A 32 -5.590 8.885 6.402 0.50 0.00 H new ATOM 0 H BSER A 32 -4.564 9.243 4.793 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.890 7.373 3.881 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.765 7.346 2.878 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.340 8.828 3.046 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.060 7.257 2.460 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.885 9.418 4.632 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.157 8.312 1.591 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.174 8.228 3.614 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.371 9.470 2.513 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.671 5.394 4.831 0.50 0.00 N ATOM 916 N BGLN A 33 -4.525 5.252 3.714 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.189 4.181 5.481 0.50 0.00 C ATOM 918 CA BGLN A 33 -4.139 4.023 4.397 0.50 0.00 C ATOM 919 C AGLN A 33 -3.462 3.282 4.487 0.50 0.00 C ATOM 920 C BGLN A 33 -3.760 2.938 3.394 0.50 0.00 C ATOM 921 O AGLN A 33 -3.416 3.572 3.292 0.50 0.00 O ATOM 922 O BGLN A 33 -4.488 2.683 2.435 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.356 3.420 6.116 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.280 3.532 5.291 0.50 0.00 C ATOM 925 CG AGLN A 33 -6.667 4.191 6.099 0.50 0.00 C ATOM 926 CG BGLN A 33 -4.898 2.354 6.172 0.50 0.00 C ATOM 927 CD AGLN A 33 -7.766 3.489 6.871 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.870 2.138 7.313 0.50 0.00 C ATOM 929 OE1AGLN A 33 -8.772 3.069 6.300 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.849 2.863 8.309 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.579 3.359 8.180 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.734 1.140 7.176 0.50 0.00 N ATOM 0 H AGLN A 33 -4.959 5.267 3.861 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.823 5.121 2.747 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.485 4.472 6.261 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.268 4.239 5.016 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -5.493 2.476 5.589 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -5.615 4.354 5.923 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.101 3.176 7.147 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -6.125 3.247 4.664 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -6.507 5.182 6.523 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -4.852 1.451 5.564 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -6.987 4.333 5.067 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -3.899 2.517 6.577 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -6.730 3.722 8.612 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.718 0.563 6.335 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.285 2.896 8.753 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.414 0.950 7.912 0.50 0.00 H new ATOM 949 N APHE A 34 -2.894 2.190 4.990 0.50 0.00 N ATOM 950 N BPHE A 34 -2.614 2.303 3.621 0.50 0.00 N ATOM 951 CA APHE A 34 -2.166 1.250 4.145 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.137 1.248 2.738 0.50 0.00 C ATOM 953 C APHE A 34 -2.651 -0.179 4.379 0.50 0.00 C ATOM 954 C BPHE A 34 -3.000 -0.003 2.870 0.50 0.00 C ATOM 955 O APHE A 34 -1.872 -1.129 4.304 0.50 0.00 O ATOM 956 O BPHE A 34 -3.254 -0.702 1.889 0.50 0.00 O ATOM 957 CB APHE A 34 -0.665 1.343 4.420 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.678 0.909 3.051 0.50 0.00 C ATOM 959 CG APHE A 34 0.125 1.871 3.257 0.50 0.00 C ATOM 960 CG BPHE A 34 0.256 2.073 2.879 0.50 0.00 C ATOM 961 CD1APHE A 34 0.170 1.175 2.059 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.477 2.621 1.625 0.50 0.00 C ATOM 963 CD2APHE A 34 0.825 3.063 3.361 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.915 2.618 3.968 0.50 0.00 C ATOM 965 CE1APHE A 34 0.895 1.660 0.987 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.336 3.692 1.463 0.50 0.00 C ATOM 967 CE2APHE A 34 1.552 3.551 2.292 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.774 3.689 3.814 0.50 0.00 C ATOM 969 CZ APHE A 34 1.589 2.847 1.104 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.986 4.226 2.559 0.50 0.00 C ATOM 0 H APHE A 34 -2.924 1.935 5.977 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.999 2.502 4.410 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.354 1.513 3.104 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.206 1.610 1.712 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.501 1.988 5.283 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.609 0.546 4.077 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.290 0.354 4.685 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.355 0.095 2.402 0.50 0.00 H new ATOM 0 HD1APHE A 34 -0.368 0.243 1.962 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.028 2.207 0.765 0.50 0.00 H new ATOM 0 HD2APHE A 34 0.802 3.617 4.288 0.50 0.00 H new ATOM 0 HD2BPHE A 34 0.755 2.200 4.951 0.50 0.00 H new ATOM 0 HE1APHE A 34 0.918 1.110 0.058 0.50 0.00 H new ATOM 0 HE1BPHE A 34 1.499 4.111 0.481 0.50 0.00 H new ATOM 0 HE2APHE A 34 2.091 4.482 2.385 0.50 0.00 H new ATOM 0 HE2BPHE A 34 2.279 4.106 4.673 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.160 3.225 0.269 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.659 5.062 2.435 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.943 -0.319 4.662 0.50 0.00 N ATOM 990 N BGLU A 35 -3.446 -0.281 4.091 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.529 -1.631 4.909 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.280 -1.449 4.352 0.50 0.00 C ATOM 993 C AGLU A 35 -5.997 -1.657 4.488 0.50 0.00 C ATOM 994 C BGLU A 35 -5.747 -1.144 4.070 0.50 0.00 C ATOM 995 O AGLU A 35 -6.664 -0.623 4.461 0.50 0.00 O ATOM 996 O BGLU A 35 -6.129 0.012 3.889 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.405 -2.000 6.389 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.112 -1.907 5.803 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.125 -2.749 6.724 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.668 -1.918 6.275 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.966 -1.816 7.014 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.357 -0.779 7.226 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -2.214 -0.693 7.499 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -2.905 0.326 7.026 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -0.808 -2.211 6.759 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -1.564 -0.991 8.167 0.50 0.00 O ATOM 0 H AGLU A 35 -4.601 0.457 4.726 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.244 0.286 4.915 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.984 -2.363 4.313 0.50 0.00 H new ATOM 0 HA BGLU A 35 -3.960 -2.250 3.685 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.451 -1.090 6.987 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.692 -1.251 6.452 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.260 -2.612 6.675 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.528 -2.909 5.909 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.298 -3.388 7.590 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.458 -2.867 6.769 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.862 -3.403 5.892 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.007 -1.856 5.411 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.492 -2.847 4.163 0.50 0.00 N ATOM 1020 N BARG A 36 -6.567 -2.190 4.033 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.878 -3.009 3.742 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.992 -2.036 3.771 0.50 0.00 C ATOM 1023 C AARG A 36 -8.827 -2.331 4.726 0.50 0.00 C ATOM 1024 C BARG A 36 -8.761 -1.798 5.067 0.50 0.00 C ATOM 1025 O AARG A 36 -9.030 -2.793 5.849 0.50 0.00 O ATOM 1026 O BARG A 36 -8.905 -2.688 5.906 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.226 -4.493 3.620 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.540 -3.276 3.061 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.715 -4.758 3.469 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.992 -3.143 2.637 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.978 -6.136 2.881 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.737 -4.462 2.776 0.50 0.00 C ATOM 1033 NE AARG A 36 -11.227 -6.179 2.127 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.478 -5.357 1.651 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.789 -7.305 1.698 0.50 0.00 C ATOM 1036 CZ BARG A 36 -10.710 -6.665 1.686 0.50 0.00 C ATOM 1037 NH1AARG A 36 -11.215 -8.474 1.948 0.50 0.00 N ATOM 1038 NH1BARG A 36 -11.201 -7.226 2.782 0.50 0.00 N ATOM 1039 NH2AARG A 36 -12.927 -7.263 1.016 0.50 0.00 N ATOM 1040 NH2BARG A 36 -10.450 -7.413 0.622 0.50 0.00 N ATOM 0 H AARG A 36 -5.953 -3.713 4.183 0.50 0.00 H new ATOM 0 H BARG A 36 -6.268 -3.154 4.181 0.50 0.00 H new ATOM 0 HA AARG A 36 -7.994 -2.535 2.767 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.124 -1.168 3.125 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.702 -4.911 2.761 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.930 -3.479 2.180 0.50 0.00 H new ATOM 0 HB3AARG A 36 -7.860 -5.017 4.503 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.441 -4.137 3.723 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.201 -4.677 4.441 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.481 -2.382 3.245 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.158 -3.997 2.827 0.50 0.00 H new ATOM 0 HG3BARG A 36 -10.040 -2.804 1.602 0.50 0.00 H new ATOM 0 HD2AARG A 36 -9.151 -6.416 2.229 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.440 -4.950 3.704 0.50 0.00 H new ATOM 0 HD3AARG A 36 -10.014 -6.872 3.684 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.807 -4.268 2.846 0.50 0.00 H new ATOM 0 HE AARG A 36 -11.694 -5.297 1.918 0.50 0.00 H new ATOM 0 HE BARG A 36 -10.099 -4.957 0.793 0.50 0.00 H new ATOM 0 HH11AARG A 36 -10.340 -8.511 2.471 0.50 0.00 H new ATOM 0 HH11BARG A 36 -11.402 -6.653 3.602 0.50 0.00 H new ATOM 0 HH12AARG A 36 -11.649 -9.336 1.618 0.50 0.00 H new ATOM 0 HH12BARG A 36 -11.378 -8.230 2.805 0.50 0.00 H new ATOM 0 HH21AARG A 36 -13.372 -6.366 0.820 0.50 0.00 H new ATOM 0 HH21BARG A 36 -10.072 -6.984 -0.223 0.50 0.00 H new ATOM 0 HH22AARG A 36 -13.357 -8.128 0.688 0.50 0.00 H new ATOM 0 HH22BARG A 36 -10.628 -8.417 0.649 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.423 -1.209 4.296 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.268 -0.567 5.238 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.361 -0.445 5.124 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.031 -0.184 6.430 0.50 0.00 C ATOM 1071 C APRO A 37 -11.680 -1.179 5.338 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.396 -0.861 6.489 0.50 0.00 C ATOM 1073 O APRO A 37 -12.370 -1.526 4.378 0.50 0.00 O ATOM 1074 O BPRO A 37 -11.917 -1.313 5.470 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.588 0.836 4.314 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.189 1.330 6.277 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.307 0.445 2.903 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.093 1.576 4.811 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.229 -0.600 2.969 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.135 0.542 4.282 0.50 0.00 C ATOM 0 HA APRO A 37 -9.968 -0.270 6.126 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.528 -0.483 7.350 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.609 1.201 4.428 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.146 1.670 6.673 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.925 1.636 4.643 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.410 1.866 6.820 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.202 0.052 2.421 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.069 1.484 4.335 0.50 0.00 H new ATOM 0 HG3APRO A 37 -9.982 1.305 2.317 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -9.732 2.584 4.607 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.333 -1.335 2.171 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.396 0.233 3.270 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.237 -0.160 2.870 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.114 0.921 4.246 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.024 -1.415 6.599 0.50 0.00 N ATOM 1096 N BSER A 38 -11.968 -0.925 7.685 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.259 -2.112 6.938 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.272 -1.550 7.876 0.50 0.00 C ATOM 1099 C ASER A 38 -14.474 -1.244 6.631 0.50 0.00 C ATOM 1100 C BSER A 38 -14.319 -0.512 8.271 0.50 0.00 C ATOM 1101 O ASER A 38 -15.206 -1.497 5.674 0.50 0.00 O ATOM 1102 O BSER A 38 -13.985 0.589 8.702 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.259 -2.503 8.417 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.188 -2.639 8.948 0.50 0.00 C ATOM 1105 OG ASER A 38 -13.086 -1.368 9.246 0.50 0.00 O ATOM 1106 OG BSER A 38 -14.353 -3.445 8.947 0.50 0.00 O ATOM 0 H ASER A 38 -11.464 -1.134 7.404 0.50 0.00 H new ATOM 0 H BSER A 38 -11.550 -0.552 8.537 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.316 -3.015 6.330 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.572 -2.003 6.931 0.50 0.00 H new ATOM 0 HB2ASER A 38 -14.198 -2.998 8.665 0.50 0.00 H new ATOM 0 HB2BSER A 38 -12.311 -3.261 8.771 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.460 -3.220 8.606 0.50 0.00 H new ATOM 0 HB3BSER A 38 -13.060 -2.180 9.928 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.091 -1.645 10.186 0.50 0.00 H new ATOM 0 HG BSER A 38 -14.275 -4.134 9.639 0.50 0.00 H new ATOM 1117 N AGLY A 39 -14.684 -0.218 7.450 0.50 0.00 N ATOM 1118 N BGLY A 39 -15.590 -0.874 8.119 0.50 0.00 N ATOM 1119 CA AGLY A 39 -15.812 0.673 7.250 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.667 0.034 8.462 0.50 0.00 C ATOM 1121 C AGLY A 39 -16.470 1.077 8.554 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.508 1.395 7.811 0.50 0.00 C ATOM 1123 O AGLY A 39 -15.812 1.692 9.391 0.50 0.00 O ATOM 1124 O BGLY A 39 -16.612 1.521 6.591 0.50 0.00 O ATOM 0 H AGLY A 39 -14.093 0.012 8.249 0.50 0.00 H new ATOM 0 H BGLY A 39 -15.892 -1.781 7.764 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -15.476 1.567 6.724 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -17.618 -0.403 8.156 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.548 0.185 6.611 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.705 0.155 9.545 0.50 0.00 H new