USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN A: amide:sc= 0.654 K(o=-3.3,f=-17!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -1.8 K(o=-3.3,f=-13!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.4: A 29 THR OG1B: rot 180:sc= -2.16 USER MOD Set 2.1: A 16 SER OG B: rot -171:sc= 2.18 USER MOD Set 2.2: A 19 SER OG B: rot 180:sc= 0.998 USER MOD Set 3.1: A 13 LYS NZ A:NH3+ -169:sc= 0 (180deg=-0.0233) USER MOD Set 3.2: A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 5 SER OG A: rot -22:sc= 0.632 USER MOD Single : A 5 SER OG B: rot 180:sc= 0 USER MOD Single : A 6 LYS NZ A:NH3+ 178:sc= 0 (180deg=-0.0102) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ -132:sc= -0.513 (180deg=-2.97!) 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 18 ASN A:FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG A: rot 180:sc= -0.284 USER MOD Single : A 23 TYR OH A: rot 176:sc= -0.752 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A:FLIP no HD1:sc= -0.604 F(o=-2.5,f=-0.6) USER MOD Single : A 27 HIS B: no HD1:sc= -1.39 X(o=-1.4,f=-1.6) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.497 K(o=0.5,f=-0.047) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.0875 USER MOD Single : A 32 SER OG B: rot 180:sc= 0 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 33 GLN B: amide:sc= 1.05 K(o=1,f=-0.028) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0713 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.275 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -12.237 -6.834 -4.647 0.20 0.00 N ATOM 2 N BSER A 5 -13.506 -6.504 -4.403 0.80 0.00 N ATOM 3 CA ASER A 5 -12.237 -5.474 -4.121 0.20 0.00 C ATOM 4 CA BSER A 5 -13.401 -5.057 -4.262 0.80 0.00 C ATOM 5 C ASER A 5 -13.586 -5.132 -3.496 0.20 0.00 C ATOM 6 C BSER A 5 -14.581 -4.502 -3.467 0.80 0.00 C ATOM 7 O ASER A 5 -14.575 -4.923 -4.198 0.20 0.00 O ATOM 8 O BSER A 5 -15.081 -3.414 -3.753 0.80 0.00 O ATOM 9 CB ASER A 5 -11.910 -4.475 -5.233 0.20 0.00 C ATOM 10 CB BSER A 5 -13.342 -4.391 -5.639 0.80 0.00 C ATOM 11 OG ASER A 5 -12.280 -4.986 -6.502 0.20 0.00 O ATOM 12 OG BSER A 5 -12.031 -4.444 -6.174 0.80 0.00 O ATOM 0 HA ASER A 5 -11.472 -5.411 -3.347 0.20 0.00 H new ATOM 0 HA BSER A 5 -12.482 -4.836 -3.720 0.80 0.00 H new ATOM 0 HB2ASER A 5 -12.433 -3.537 -5.049 0.20 0.00 H new ATOM 0 HB2BSER A 5 -14.036 -4.888 -6.317 0.80 0.00 H new ATOM 0 HB3ASER A 5 -10.843 -4.252 -5.224 0.20 0.00 H new ATOM 0 HB3BSER A 5 -13.664 -3.353 -5.559 0.80 0.00 H new ATOM 0 HG ASER A 5 -12.339 -5.963 -6.457 0.20 0.00 H new ATOM 0 HG BSER A 5 -12.019 -4.014 -7.054 0.80 0.00 H new ATOM 23 N ALYS A 6 -13.619 -5.080 -2.168 0.20 0.00 N ATOM 24 N BLYS A 6 -15.020 -5.259 -2.467 0.80 0.00 N ATOM 25 CA ALYS A 6 -14.845 -4.763 -1.445 0.20 0.00 C ATOM 26 CA BLYS A 6 -16.139 -4.845 -1.630 0.80 0.00 C ATOM 27 C ALYS A 6 -14.566 -3.797 -0.298 0.20 0.00 C ATOM 28 C BLYS A 6 -15.668 -3.917 -0.514 0.80 0.00 C ATOM 29 O ALYS A 6 -13.972 -4.174 0.713 0.20 0.00 O ATOM 30 O BLYS A 6 -15.741 -4.262 0.667 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.487 -6.042 -0.905 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.834 -6.070 -1.030 0.80 0.00 C ATOM 33 CG ALYS A 6 -16.507 -6.657 -1.850 0.20 0.00 C ATOM 34 CG BLYS A 6 -17.074 -7.185 -2.033 0.80 0.00 C ATOM 35 CD ALYS A 6 -17.027 -7.984 -1.322 0.20 0.00 C ATOM 36 CD BLYS A 6 -17.648 -8.422 -1.365 0.80 0.00 C ATOM 37 CE ALYS A 6 -16.577 -9.145 -2.193 0.20 0.00 C ATOM 38 CE BLYS A 6 -16.672 -9.017 -0.361 0.80 0.00 C ATOM 39 NZ ALYS A 6 -15.097 -9.309 -2.179 0.20 0.00 N ATOM 40 NZ BLYS A 6 -16.344 -10.434 -0.680 0.80 0.00 N ATOM 0 H ALYS A 6 -12.810 -5.253 -1.571 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.618 -6.162 -2.217 0.80 0.00 H new ATOM 0 HA ALYS A 6 -15.534 -4.283 -2.140 0.20 0.00 H new ATOM 0 HA BLYS A 6 -16.848 -4.303 -2.255 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -14.705 -6.773 -0.702 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -16.229 -6.455 -0.209 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -15.972 -5.822 0.046 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -17.790 -5.763 -0.605 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -17.340 -5.967 -1.987 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -17.758 -6.838 -2.807 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -16.053 -6.807 -2.830 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -16.136 -7.439 -2.527 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -16.673 -8.135 -0.302 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -18.579 -8.165 -0.860 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -18.116 -7.959 -1.281 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -17.891 -9.167 -2.123 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -17.047 -10.064 -1.844 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -15.756 -8.426 -0.350 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -16.915 -8.983 -3.217 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -17.100 -8.960 0.640 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -14.833 -10.132 -2.758 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -15.677 -10.803 0.027 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -14.649 -8.454 -2.568 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -17.214 -11.003 -0.665 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -14.773 -9.455 -1.202 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -15.912 -10.486 -1.625 0.80 0.00 H new ATOM 67 N ALEU A 7 -15.000 -2.552 -0.459 0.20 0.00 N ATOM 68 N BLEU A 7 -15.188 -2.739 -0.893 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.798 -1.533 0.565 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.707 -1.760 0.076 0.80 0.00 C ATOM 71 C ALEU A 7 -16.091 -0.769 0.835 0.20 0.00 C ATOM 72 C BLEU A 7 -15.870 -1.000 0.704 0.80 0.00 C ATOM 73 O ALEU A 7 -16.964 -0.654 -0.026 0.20 0.00 O ATOM 74 O BLEU A 7 -16.944 -0.863 0.118 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.699 -0.560 0.134 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.745 -0.778 -0.597 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.727 -1.074 -0.928 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.261 -1.141 -0.528 0.80 0.00 C ATOM 79 CD1ALEU A 7 -11.817 0.047 -1.407 0.20 0.00 C ATOM 80 CD1BLEU A 7 -12.037 -2.566 -1.009 0.80 0.00 C ATOM 81 CD2ALEU A 7 -11.906 -2.234 -0.386 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.436 -0.162 -1.351 0.80 0.00 C ATOM 0 H ALEU A 7 -15.494 -2.224 -1.289 0.20 0.00 H new ATOM 0 H BLEU A 7 -15.121 -2.438 -1.865 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.493 -2.032 1.485 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.178 -2.295 0.865 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.172 0.347 -0.243 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -14.028 -0.684 -1.646 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.125 -0.277 1.017 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.881 0.203 -0.141 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.307 -1.433 -1.778 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.937 -1.076 0.511 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.132 -0.338 -2.163 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.975 -2.806 -0.953 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.420 0.846 -1.838 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.599 -3.255 -0.379 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.246 0.437 -0.565 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.376 -2.659 -2.041 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.220 -2.586 -1.157 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.382 -0.434 -1.291 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.337 -1.902 0.482 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.761 -0.196 -2.391 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.572 -3.046 -0.095 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.573 0.847 -0.961 0.80 0.00 H new ATOM 105 N APRO A 8 -16.216 -0.232 2.057 0.20 0.00 N ATOM 106 N BPRO A 8 -15.654 -0.492 1.927 0.80 0.00 N ATOM 107 CA APRO A 8 -17.398 0.533 2.469 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.671 0.267 2.661 0.80 0.00 C ATOM 109 C APRO A 8 -17.491 1.880 1.760 0.20 0.00 C ATOM 110 C BPRO A 8 -16.943 1.629 2.035 0.80 0.00 C ATOM 111 O APRO A 8 -16.557 2.325 1.092 0.20 0.00 O ATOM 112 O BPRO A 8 -16.212 2.094 1.160 0.80 0.00 O ATOM 113 CB APRO A 8 -17.185 0.734 3.972 0.20 0.00 C ATOM 114 CB BPRO A 8 -16.056 0.429 4.053 0.80 0.00 C ATOM 115 CG APRO A 8 -15.709 0.653 4.159 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.585 0.340 3.830 0.80 0.00 C ATOM 117 CD APRO A 8 -15.214 -0.327 3.133 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.399 -0.616 2.686 0.80 0.00 C ATOM 0 HA APRO A 8 -18.325 0.016 2.222 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.636 -0.240 2.663 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.574 1.698 4.302 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.332 1.385 4.499 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.700 -0.032 4.551 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.401 -0.351 4.732 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.244 1.629 4.022 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -14.166 1.318 3.594 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.461 0.321 5.167 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -14.075 -0.018 4.725 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.217 -0.067 2.777 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.534 -0.351 2.078 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.154 -1.337 3.538 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.241 -1.636 3.037 0.80 0.00 H new ATOM 133 N APRO A 9 -18.646 2.548 1.906 0.20 0.00 N ATOM 134 N BPRO A 9 -18.021 2.287 2.491 0.80 0.00 N ATOM 135 CA APRO A 9 -18.890 3.853 1.287 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.412 3.608 1.989 0.80 0.00 C ATOM 137 C APRO A 9 -18.056 4.960 1.923 0.20 0.00 C ATOM 138 C BPRO A 9 -17.440 4.702 2.417 0.80 0.00 C ATOM 139 O APRO A 9 -18.328 5.391 3.042 0.20 0.00 O ATOM 140 O BPRO A 9 -17.069 4.793 3.586 0.80 0.00 O ATOM 141 CB APRO A 9 -20.379 4.095 1.540 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.786 3.835 2.624 0.80 0.00 C ATOM 143 CG APRO A 9 -20.692 3.288 2.752 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.778 2.996 3.856 0.80 0.00 C ATOM 145 CD APRO A 9 -19.803 2.077 2.688 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.936 1.793 3.532 0.80 0.00 C ATOM 0 HA APRO A 9 -18.617 3.860 0.232 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.419 3.645 0.900 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.586 5.153 1.704 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.943 4.887 2.863 0.80 0.00 H new ATOM 0 HB3APRO A 9 -20.982 3.780 0.688 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.588 3.538 1.948 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.505 3.861 3.660 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.363 3.547 4.700 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.743 2.999 2.767 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.790 2.701 4.134 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.507 1.742 3.682 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.393 1.435 4.407 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.301 1.237 2.204 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.543 0.963 3.172 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.037 5.418 1.202 0.20 0.00 N ATOM 162 N BGLY A 10 -17.032 5.531 1.461 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.179 6.471 1.712 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.107 6.609 1.759 0.80 0.00 C ATOM 165 C AGLY A 10 -14.720 6.248 1.368 0.20 0.00 C ATOM 166 C BGLY A 10 -14.659 6.183 1.627 0.80 0.00 C ATOM 167 O AGLY A 10 -13.941 7.199 1.294 0.20 0.00 O ATOM 168 O BGLY A 10 -13.812 6.579 2.429 0.80 0.00 O ATOM 0 H AGLY A 10 -16.790 5.078 0.273 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.325 5.475 0.486 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.503 7.429 1.304 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.299 7.445 1.087 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.289 6.532 2.795 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.286 6.968 2.773 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.348 4.990 1.161 0.20 0.00 N ATOM 176 N BTRP A 11 -14.371 5.375 0.613 0.80 0.00 N ATOM 177 CA ATRP A 11 -12.971 4.646 0.824 0.20 0.00 C ATOM 178 CA BTRP A 11 -13.015 4.894 0.379 0.80 0.00 C ATOM 179 C ATRP A 11 -12.821 4.399 -0.674 0.20 0.00 C ATOM 180 C BTRP A 11 -12.784 4.618 -1.102 0.80 0.00 C ATOM 181 O ATRP A 11 -13.638 3.706 -1.281 0.20 0.00 O ATOM 182 O BTRP A 11 -13.677 4.140 -1.799 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.527 3.407 1.603 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.753 3.626 1.195 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.121 3.710 3.015 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.707 3.871 2.672 0.80 0.00 C ATOM 187 CD1ATRP A 11 -12.882 3.551 4.138 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.743 3.758 3.555 0.80 0.00 C ATOM 189 CD2ATRP A 11 -10.857 4.221 3.452 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.565 4.271 3.439 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.167 3.935 5.248 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.314 4.064 4.825 0.80 0.00 N ATOM 193 CE2ATRP A 11 -10.923 4.349 4.854 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.982 4.381 4.780 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.679 4.583 2.796 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.232 4.545 3.124 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -9.853 4.824 5.607 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.113 4.755 5.802 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.618 5.055 3.545 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.370 4.915 4.139 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.709 5.171 4.940 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.813 5.016 5.464 0.80 0.00 C ATOM 0 H ATRP A 11 -14.980 4.192 1.220 0.20 0.00 H new ATOM 0 H BTRP A 11 -15.059 5.039 -0.061 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.336 5.488 1.100 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.320 5.671 0.697 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.341 2.682 1.614 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.533 2.896 0.979 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.690 2.940 1.084 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.808 3.186 0.877 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -13.896 3.179 4.152 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.751 3.471 3.294 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.508 3.915 6.209 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.893 4.056 5.664 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.598 4.496 1.723 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.881 4.469 2.105 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -9.923 4.916 6.681 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.453 4.836 6.824 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.703 5.340 3.048 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.337 5.130 3.907 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -7.861 5.541 5.498 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.114 5.306 6.235 0.80 0.00 H new ATOM 223 N AGLU A 12 -11.775 4.970 -1.263 0.20 0.00 N ATOM 224 N BGLU A 12 -11.578 4.919 -1.574 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.523 4.810 -2.690 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.229 4.701 -2.974 0.80 0.00 C ATOM 227 C AGLU A 12 -10.192 4.101 -2.930 0.20 0.00 C ATOM 228 C BGLU A 12 -9.860 4.042 -3.098 0.80 0.00 C ATOM 229 O AGLU A 12 -9.251 4.240 -2.148 0.20 0.00 O ATOM 230 O BGLU A 12 -8.918 4.401 -2.388 0.80 0.00 O ATOM 231 CB AGLU A 12 -11.518 6.173 -3.384 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.242 6.028 -3.737 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.949 6.137 -4.793 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.621 6.656 -3.842 0.80 0.00 C ATOM 235 CD AGLU A 12 -11.755 5.254 -5.725 0.20 0.00 C ATOM 236 CD BGLU A 12 -13.550 5.878 -4.754 0.80 0.00 C ATOM 237 OE1AGLU A 12 -11.268 4.971 -6.840 0.20 0.00 O ATOM 238 OE1BGLU A 12 -13.101 4.866 -5.332 0.80 0.00 O ATOM 239 OE2AGLU A 12 -12.871 4.847 -5.341 0.20 0.00 O ATOM 240 OE2BGLU A 12 -14.723 6.282 -4.890 0.80 0.00 O ATOM 0 H AGLU A 12 -11.090 5.547 -0.775 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.827 5.314 -1.008 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.322 4.199 -3.109 0.20 0.00 H new ATOM 0 HA BGLU A 12 -11.973 4.033 -3.408 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.538 6.555 -3.423 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -10.570 6.729 -3.242 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -10.937 6.874 -2.785 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.849 5.864 -4.740 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -10.918 7.150 -5.194 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.064 6.720 -2.848 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -9.921 5.777 -4.757 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -12.524 7.676 -4.214 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.121 3.342 -4.017 0.20 0.00 N ATOM 254 N BLYS A 13 -9.753 3.076 -4.004 0.80 0.00 N ATOM 255 CA ALYS A 13 -8.909 2.610 -4.363 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.500 2.367 -4.223 0.80 0.00 C ATOM 257 C ALYS A 13 -8.025 3.434 -5.295 0.20 0.00 C ATOM 258 C BLYS A 13 -7.630 3.101 -5.240 0.80 0.00 C ATOM 259 O ALYS A 13 -8.409 3.735 -6.426 0.20 0.00 O ATOM 260 O BLYS A 13 -8.029 3.295 -6.387 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.262 1.276 -5.025 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.774 0.941 -4.707 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.196 0.209 -4.854 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.514 0.135 -4.971 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.454 -0.988 -5.752 0.20 0.00 C ATOM 266 CD BLYS A 13 -7.803 -1.090 -5.823 0.80 0.00 C ATOM 267 CE ALYS A 13 -8.570 -2.274 -4.947 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.013 -2.327 -4.965 0.80 0.00 C ATOM 269 NZ ALYS A 13 -7.282 -2.635 -4.291 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.739 -3.063 -4.731 0.80 0.00 N ATOM 0 H ALYS A 13 -10.890 3.217 -4.675 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.521 2.766 -4.599 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.358 2.415 -3.443 0.20 0.00 H new ATOM 0 HA BLYS A 13 -7.965 2.326 -3.274 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.200 0.910 -4.607 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.377 0.423 -3.961 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.430 1.442 -6.089 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.366 0.984 -5.621 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.218 0.632 -5.082 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -6.778 0.763 -5.473 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -8.168 -0.115 -3.814 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.074 -0.176 -4.023 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.371 -0.828 -6.319 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.691 -0.912 -6.430 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -7.645 -1.082 -6.476 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -6.975 -1.259 -6.511 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -9.344 -2.159 -4.189 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.445 -2.036 -4.008 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -8.884 -3.086 -5.603 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.730 -2.988 -5.451 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -7.345 -3.601 -3.910 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -6.884 -4.076 -4.919 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -6.512 -2.587 -4.988 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.003 -2.694 -5.367 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -7.089 -1.969 -3.516 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.440 -2.933 -3.744 0.80 0.00 H new ATOM 297 N AARG A 14 -6.840 3.792 -4.815 0.20 0.00 N ATOM 298 N BARG A 14 -6.438 3.505 -4.810 0.80 0.00 N ATOM 299 CA AARG A 14 -5.901 4.582 -5.605 0.20 0.00 C ATOM 300 CA BARG A 14 -5.513 4.217 -5.682 0.80 0.00 C ATOM 301 C AARG A 14 -4.590 3.827 -5.804 0.20 0.00 C ATOM 302 C BARG A 14 -4.235 3.410 -5.894 0.80 0.00 C ATOM 303 O AARG A 14 -4.315 2.847 -5.112 0.20 0.00 O ATOM 304 O BARG A 14 -3.947 2.477 -5.144 0.80 0.00 O ATOM 305 CB AARG A 14 -5.632 5.925 -4.927 0.20 0.00 C ATOM 306 CB BARG A 14 -5.172 5.585 -5.091 0.80 0.00 C ATOM 307 CG AARG A 14 -6.541 7.043 -5.407 0.20 0.00 C ATOM 308 CG BARG A 14 -6.392 6.437 -4.782 0.80 0.00 C ATOM 309 CD AARG A 14 -5.846 8.395 -5.340 0.20 0.00 C ATOM 310 CD BARG A 14 -6.634 7.476 -5.867 0.80 0.00 C ATOM 311 NE AARG A 14 -6.118 9.209 -6.522 0.20 0.00 N ATOM 312 NE BARG A 14 -5.491 8.368 -6.037 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.517 9.028 -7.693 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.282 9.098 -7.126 0.80 0.00 C ATOM 315 NH1AARG A 14 -4.616 8.068 -7.837 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.138 9.043 -8.139 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.819 9.809 -8.722 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.218 9.887 -7.207 0.80 0.00 N ATOM 0 H AARG A 14 -6.506 3.548 -3.883 0.20 0.00 H new ATOM 0 H BARG A 14 -6.091 3.351 -3.863 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.349 4.762 -6.582 0.20 0.00 H new ATOM 0 HA BARG A 14 -5.999 4.357 -6.648 0.80 0.00 H new ATOM 0 HB2AARG A 14 -5.751 5.809 -3.850 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.598 5.443 -4.176 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.595 6.210 -5.104 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.531 6.123 -5.789 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.854 6.844 -6.432 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.269 5.797 -4.687 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.444 7.066 -4.797 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.255 6.936 -3.823 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.176 8.929 -4.449 0.20 0.00 H new ATOM 0 HD2BARG A 14 -6.844 6.972 -6.811 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.771 8.246 -5.242 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.517 8.063 -5.616 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.807 9.957 -6.444 0.20 0.00 H new ATOM 0 HE BARG A 14 -4.815 8.434 -5.276 0.80 0.00 H new ATOM 0 HH11AARG A 14 -4.382 7.466 -7.048 0.20 0.00 H new ATOM 0 HH11BARG A 14 -6.958 8.439 -8.082 0.80 0.00 H new ATOM 0 HH12AARG A 14 -4.156 7.931 -8.737 0.20 0.00 H new ATOM 0 HH12BARG A 14 -5.976 9.605 -8.975 0.80 0.00 H new ATOM 0 HH21AARG A 14 -6.513 10.549 -8.614 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.558 9.934 -6.431 0.80 0.00 H new ATOM 0 HH22AARG A 14 -5.357 9.670 -9.621 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.061 10.446 -8.045 0.80 0.00 H new ATOM 345 N AMET A 15 -3.784 4.290 -6.753 0.20 0.00 N ATOM 346 N BMET A 15 -3.474 3.774 -6.921 0.80 0.00 N ATOM 347 CA AMET A 15 -2.502 3.660 -7.043 0.20 0.00 C ATOM 348 CA BMET A 15 -2.228 3.085 -7.231 0.80 0.00 C ATOM 349 C AMET A 15 -1.366 4.675 -6.962 0.20 0.00 C ATOM 350 C BMET A 15 -1.117 4.082 -7.545 0.80 0.00 C ATOM 351 O AMET A 15 -1.563 5.862 -7.222 0.20 0.00 O ATOM 352 O BMET A 15 -1.220 4.862 -8.490 0.80 0.00 O ATOM 353 CB AMET A 15 -2.527 3.014 -8.430 0.20 0.00 C ATOM 354 CB BMET A 15 -2.426 2.135 -8.414 0.80 0.00 C ATOM 355 CG AMET A 15 -1.645 1.781 -8.542 0.20 0.00 C ATOM 356 CG BMET A 15 -1.125 1.561 -8.957 0.80 0.00 C ATOM 357 SD AMET A 15 -0.133 2.092 -9.475 0.20 0.00 S ATOM 358 SD BMET A 15 -0.662 2.273 -10.547 0.80 0.00 S ATOM 359 CE AMET A 15 -0.753 2.016 -11.155 0.20 0.00 C ATOM 360 CE BMET A 15 -0.977 0.892 -11.643 0.80 0.00 C ATOM 0 H AMET A 15 -3.996 5.100 -7.335 0.20 0.00 H new ATOM 0 H BMET A 15 -3.699 4.543 -7.553 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.329 2.887 -6.294 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.935 2.507 -6.355 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.553 2.740 -8.676 0.20 0.00 H new ATOM 0 HB2BMET A 15 -3.075 1.315 -8.106 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.207 3.748 -9.170 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.941 2.666 -9.214 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.385 1.433 -7.542 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.326 1.738 -8.237 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.206 0.980 -9.023 0.20 0.00 H new ATOM 0 HG3BMET A 15 -1.225 0.481 -9.062 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.066 2.189 -11.853 0.20 0.00 H new ATOM 0 HE1BMET A 15 -0.737 1.178 -12.667 0.80 0.00 H new ATOM 0 HE2AMET A 15 -1.185 1.032 -11.339 0.20 0.00 H new ATOM 0 HE2BMET A 15 -0.357 0.045 -11.348 0.80 0.00 H new ATOM 0 HE3AMET A 15 -1.517 2.780 -11.296 0.20 0.00 H new ATOM 0 HE3BMET A 15 -2.028 0.611 -11.582 0.80 0.00 H new ATOM 379 N ASER A 16 -0.178 4.201 -6.600 0.20 0.00 N ATOM 380 N BSER A 16 -0.056 4.051 -6.743 0.80 0.00 N ATOM 381 CA ASER A 16 0.988 5.069 -6.482 0.20 0.00 C ATOM 382 CA BSER A 16 1.072 4.956 -6.934 0.80 0.00 C ATOM 383 C ASER A 16 1.875 4.956 -7.719 0.20 0.00 C ATOM 384 C BSER A 16 1.692 4.770 -8.314 0.80 0.00 C ATOM 385 O ASER A 16 2.091 3.865 -8.244 0.20 0.00 O ATOM 386 O BSER A 16 1.577 3.703 -8.919 0.80 0.00 O ATOM 387 CB ASER A 16 1.791 4.713 -5.230 0.20 0.00 C ATOM 388 CB BSER A 16 2.127 4.723 -5.852 0.80 0.00 C ATOM 389 OG ASER A 16 2.273 5.878 -4.585 0.20 0.00 O ATOM 390 OG BSER A 16 3.437 4.794 -6.392 0.80 0.00 O ATOM 0 H ASER A 16 0.002 3.221 -6.383 0.20 0.00 H new ATOM 0 H BSER A 16 0.046 3.410 -5.956 0.80 0.00 H new ATOM 0 HA ASER A 16 0.638 6.098 -6.399 0.20 0.00 H new ATOM 0 HA BSER A 16 0.702 5.979 -6.858 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.165 4.145 -4.542 0.20 0.00 H new ATOM 0 HB2BSER A 16 2.014 5.467 -5.064 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.629 4.071 -5.502 0.20 0.00 H new ATOM 0 HB3BSER A 16 1.972 3.747 -5.393 0.80 0.00 H new ATOM 0 HG ASER A 16 2.781 5.623 -3.787 0.20 0.00 H new ATOM 0 HG BSER A 16 4.086 4.507 -5.716 0.80 0.00 H new ATOM 401 N AARG A 17 2.388 6.095 -8.177 0.20 0.00 N ATOM 402 N BARG A 17 2.349 5.813 -8.807 0.80 0.00 N ATOM 403 CA AARG A 17 3.252 6.127 -9.351 0.20 0.00 C ATOM 404 CA BARG A 17 2.987 5.766 -10.117 0.80 0.00 C ATOM 405 C AARG A 17 4.659 6.582 -8.978 0.20 0.00 C ATOM 406 C BARG A 17 4.507 5.749 -9.982 0.80 0.00 C ATOM 407 O AARG A 17 5.335 7.246 -9.763 0.20 0.00 O ATOM 408 O BARG A 17 5.210 5.217 -10.839 0.80 0.00 O ATOM 409 CB AARG A 17 2.667 7.056 -10.415 0.20 0.00 C ATOM 410 CB BARG A 17 2.553 6.963 -10.963 0.80 0.00 C ATOM 411 CG AARG A 17 1.186 6.833 -10.672 0.20 0.00 C ATOM 412 CG BARG A 17 1.058 7.233 -10.916 0.80 0.00 C ATOM 413 CD AARG A 17 0.611 7.907 -11.583 0.20 0.00 C ATOM 414 CD BARG A 17 0.694 8.492 -11.688 0.80 0.00 C ATOM 415 NE AARG A 17 1.459 8.149 -12.747 0.20 0.00 N ATOM 416 NE BARG A 17 1.326 8.528 -13.003 0.80 0.00 N ATOM 417 CZ AARG A 17 1.411 9.262 -13.472 0.20 0.00 C ATOM 418 CZ BARG A 17 1.352 9.609 -13.776 0.80 0.00 C ATOM 419 NH1AARG A 17 0.560 10.228 -13.153 0.20 0.00 N ATOM 420 NH1BARG A 17 0.782 10.734 -13.367 0.80 0.00 N ATOM 421 NH2AARG A 17 2.216 9.409 -14.515 0.20 0.00 N ATOM 422 NH2BARG A 17 1.948 9.566 -14.961 0.80 0.00 N ATOM 0 H AARG A 17 2.220 7.007 -7.752 0.20 0.00 H new ATOM 0 H BARG A 17 2.454 6.702 -8.319 0.80 0.00 H new ATOM 0 HA AARG A 17 3.312 5.117 -9.755 0.20 0.00 H new ATOM 0 HA BARG A 17 2.673 4.847 -10.612 0.80 0.00 H new ATOM 0 HB2AARG A 17 2.822 8.090 -10.107 0.20 0.00 H new ATOM 0 HB2BARG A 17 3.085 7.851 -10.621 0.80 0.00 H new ATOM 0 HB3AARG A 17 3.214 6.916 -11.347 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.850 6.793 -11.998 0.80 0.00 H new ATOM 0 HG2AARG A 17 1.038 5.853 -11.125 0.20 0.00 H new ATOM 0 HG2BARG A 17 0.520 6.381 -11.333 0.80 0.00 H new ATOM 0 HG3AARG A 17 0.647 6.831 -9.724 0.20 0.00 H new ATOM 0 HG3BARG A 17 0.738 7.336 -9.879 0.80 0.00 H new ATOM 0 HD2AARG A 17 -0.383 7.607 -11.915 0.20 0.00 H new ATOM 0 HD2BARG A 17 -0.388 8.546 -11.804 0.80 0.00 H new ATOM 0 HD3AARG A 17 0.493 8.834 -11.021 0.20 0.00 H new ATOM 0 HD3BARG A 17 0.997 9.369 -11.116 0.80 0.00 H new ATOM 0 HE AARG A 17 2.124 7.425 -13.018 0.20 0.00 H new ATOM 0 HE BARG A 17 1.772 7.678 -13.347 0.80 0.00 H new ATOM 0 HH11AARG A 17 -0.059 10.118 -12.350 0.20 0.00 H new ATOM 0 HH11BARG A 17 0.322 10.771 -12.457 0.80 0.00 H new ATOM 0 HH12AARG A 17 0.525 11.081 -13.711 0.20 0.00 H new ATOM 0 HH12BARG A 17 0.803 11.562 -13.962 0.80 0.00 H new ATOM 0 HH21AARG A 17 2.872 8.668 -14.761 0.20 0.00 H new ATOM 0 HH21BARG A 17 2.387 8.702 -15.280 0.80 0.00 H new ATOM 0 HH22AARG A 17 2.179 10.263 -15.071 0.20 0.00 H new ATOM 0 HH22BARG A 17 1.967 10.397 -15.553 0.80 0.00 H new ATOM 449 N AASN A 18 5.093 6.222 -7.776 0.20 0.00 N ATOM 450 N BASN A 18 5.007 6.336 -8.898 0.80 0.00 N ATOM 451 CA AASN A 18 6.421 6.594 -7.298 0.20 0.00 C ATOM 452 CA BASN A 18 6.442 6.389 -8.651 0.80 0.00 C ATOM 453 C AASN A 18 7.212 5.362 -6.871 0.20 0.00 C ATOM 454 C BASN A 18 6.955 5.052 -8.125 0.80 0.00 C ATOM 455 O AASN A 18 8.108 4.910 -7.582 0.20 0.00 O ATOM 456 O BASN A 18 8.104 4.683 -8.357 0.80 0.00 O ATOM 457 CB AASN A 18 6.307 7.574 -6.128 0.20 0.00 C ATOM 458 CB BASN A 18 6.766 7.500 -7.651 0.80 0.00 C ATOM 459 CG AASN A 18 6.480 9.016 -6.561 0.20 0.00 C ATOM 460 CG BASN A 18 6.219 8.847 -8.085 0.80 0.00 C ATOM 461 OD1AASN A 18 5.729 9.423 -7.578 0.20 0.00 O flip ATOM 462 OD1BASN A 18 5.432 9.468 -7.372 0.80 0.00 O ATOM 463 ND2AASN A 18 7.280 9.758 -5.988 0.20 0.00 N flip ATOM 464 ND2BASN A 18 6.635 9.303 -9.260 0.80 0.00 N ATOM 0 H AASN A 18 4.545 5.673 -7.114 0.20 0.00 H new ATOM 0 H BASN A 18 4.438 6.781 -8.178 0.80 0.00 H new ATOM 0 HA AASN A 18 6.953 7.077 -8.118 0.20 0.00 H new ATOM 0 HA BASN A 18 6.940 6.602 -9.597 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.334 7.455 -5.652 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.352 7.240 -6.677 0.80 0.00 H new ATOM 0 HB3AASN A 18 7.060 7.330 -5.379 0.20 0.00 H new ATOM 0 HB3BASN A 18 7.847 7.572 -7.530 0.80 0.00 H new ATOM 0 HD21AASN A 18 7.837 9.404 -5.211 0.20 0.00 H new ATOM 0 HD21BASN A 18 6.301 10.203 -9.605 0.80 0.00 H new ATOM 0 HD22AASN A 18 7.385 10.726 -6.291 0.20 0.00 H new ATOM 0 HD22BASN A 18 7.289 8.754 -9.818 0.80 0.00 H new ATOM 477 N ASER A 19 6.873 4.825 -5.703 0.20 0.00 N ATOM 478 N BSER A 19 6.089 4.330 -7.419 0.80 0.00 N ATOM 479 CA ASER A 19 7.553 3.646 -5.178 0.20 0.00 C ATOM 480 CA BSER A 19 6.454 3.035 -6.857 0.80 0.00 C ATOM 481 C ASER A 19 6.971 2.370 -5.780 0.20 0.00 C ATOM 482 C BSER A 19 5.520 1.941 -7.364 0.80 0.00 C ATOM 483 O ASER A 19 7.700 1.531 -6.308 0.20 0.00 O ATOM 484 O BSER A 19 5.934 1.048 -8.102 0.80 0.00 O ATOM 485 CB ASER A 19 7.441 3.604 -3.653 0.20 0.00 C ATOM 486 CB BSER A 19 6.415 3.088 -5.329 0.80 0.00 C ATOM 487 OG ASER A 19 6.100 3.392 -3.247 0.20 0.00 O ATOM 488 OG BSER A 19 5.154 3.539 -4.867 0.80 0.00 O ATOM 0 H ASER A 19 6.132 5.187 -5.103 0.20 0.00 H new ATOM 0 H BSER A 19 5.131 4.620 -7.223 0.80 0.00 H new ATOM 0 HA ASER A 19 8.605 3.709 -5.455 0.20 0.00 H new ATOM 0 HA BSER A 19 7.469 2.800 -7.178 0.80 0.00 H new ATOM 0 HB2ASER A 19 8.074 2.808 -3.260 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.622 2.098 -4.922 0.80 0.00 H new ATOM 0 HB3ASER A 19 7.808 4.540 -3.232 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.198 3.753 -4.965 0.80 0.00 H new ATOM 0 HG ASER A 19 6.055 3.367 -2.268 0.20 0.00 H new ATOM 0 HG BSER A 19 5.154 3.563 -3.887 0.80 0.00 H new ATOM 499 N AGLY A 20 5.653 2.232 -5.694 0.20 0.00 N ATOM 500 N BGLY A 20 4.256 2.017 -6.960 0.80 0.00 N ATOM 501 CA AGLY A 20 4.994 1.056 -6.232 0.20 0.00 C ATOM 502 CA BGLY A 20 3.281 1.027 -7.381 0.80 0.00 C ATOM 503 C AGLY A 20 4.320 0.226 -5.158 0.20 0.00 C ATOM 504 C BGLY A 20 2.607 0.343 -6.210 0.80 0.00 C ATOM 505 O AGLY A 20 4.953 -0.625 -4.534 0.20 0.00 O ATOM 506 O BGLY A 20 2.145 -0.794 -6.327 0.80 0.00 O ATOM 0 H AGLY A 20 5.029 2.913 -5.262 0.20 0.00 H new ATOM 0 H BGLY A 20 3.889 2.746 -6.349 0.80 0.00 H new ATOM 0 HA2AGLY A 20 4.251 1.364 -6.968 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.525 1.508 -8.001 0.80 0.00 H new ATOM 0 HA3AGLY A 20 5.726 0.441 -6.756 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.773 0.278 -8.001 0.80 0.00 H new ATOM 513 N AARG A 21 3.033 0.474 -4.941 0.20 0.00 N ATOM 514 N BARG A 21 2.548 1.033 -5.076 0.80 0.00 N ATOM 515 CA AARG A 21 2.274 -0.255 -3.932 0.20 0.00 C ATOM 516 CA BARG A 21 1.928 0.484 -3.876 0.80 0.00 C ATOM 517 C AARG A 21 0.829 0.232 -3.882 0.20 0.00 C ATOM 518 C BARG A 21 0.451 0.862 -3.807 0.80 0.00 C ATOM 519 O AARG A 21 0.565 1.433 -3.937 0.20 0.00 O ATOM 520 O BARG A 21 0.095 2.037 -3.892 0.80 0.00 O ATOM 521 CB AARG A 21 2.925 -0.095 -2.557 0.20 0.00 C ATOM 522 CB BARG A 21 2.652 0.984 -2.626 0.80 0.00 C ATOM 523 CG AARG A 21 3.433 1.312 -2.284 0.20 0.00 C ATOM 524 CG BARG A 21 3.678 0.004 -2.083 0.80 0.00 C ATOM 525 CD AARG A 21 4.152 1.395 -0.948 0.20 0.00 C ATOM 526 CD BARG A 21 4.805 0.721 -1.358 0.80 0.00 C ATOM 527 NE AARG A 21 3.307 0.955 0.157 0.20 0.00 N ATOM 528 NE BARG A 21 4.304 1.604 -0.307 0.80 0.00 N ATOM 529 CZ AARG A 21 3.623 1.122 1.438 0.20 0.00 C ATOM 530 CZ BARG A 21 5.042 2.024 0.714 0.80 0.00 C ATOM 531 NH1AARG A 21 4.760 1.716 1.770 0.20 0.00 N ATOM 532 NH1BARG A 21 6.308 1.645 0.820 0.80 0.00 N ATOM 533 NH2AARG A 21 2.800 0.694 2.387 0.20 0.00 N ATOM 534 NH2BARG A 21 4.516 2.827 1.630 0.80 0.00 N ATOM 0 H AARG A 21 2.494 1.174 -5.450 0.20 0.00 H new ATOM 0 H BARG A 21 2.923 1.975 -4.963 0.80 0.00 H new ATOM 0 HA AARG A 21 2.275 -1.310 -4.206 0.20 0.00 H new ATOM 0 HA BARG A 21 2.007 -0.602 -3.922 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.202 -0.367 -1.788 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.149 1.926 -2.857 0.80 0.00 H new ATOM 0 HB3AARG A 21 3.756 -0.795 -2.474 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.916 1.194 -1.850 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.110 1.617 -3.082 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.191 -0.693 -1.401 0.80 0.00 H new ATOM 0 HG3AARG A 21 2.596 2.010 -2.292 0.20 0.00 H new ATOM 0 HG3BARG A 21 4.089 -0.586 -2.903 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.052 0.781 -0.982 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.481 -0.014 -0.922 0.80 0.00 H new ATOM 0 HD3AARG A 21 4.473 2.422 -0.772 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.385 1.303 -2.074 0.80 0.00 H new ATOM 0 HE AARG A 21 2.425 0.494 -0.065 0.20 0.00 H new ATOM 0 HE BARG A 21 3.334 1.915 -0.361 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.394 2.046 1.043 0.20 0.00 H new ATOM 0 HH11BARG A 21 6.717 1.030 0.117 0.80 0.00 H new ATOM 0 HH12AARG A 21 5.001 1.843 2.753 0.20 0.00 H new ATOM 0 HH12BARG A 21 6.873 1.969 1.605 0.80 0.00 H new ATOM 0 HH21AARG A 21 1.924 0.236 2.134 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.543 3.123 1.551 0.80 0.00 H new ATOM 0 HH22AARG A 21 3.043 0.823 3.369 0.20 0.00 H new ATOM 0 HH22BARG A 21 5.085 3.148 2.413 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.105 -0.709 -3.777 0.20 0.00 N ATOM 562 N BVAL A 22 -0.406 -0.144 -3.653 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.524 -0.375 -3.720 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.844 0.084 -3.572 0.80 0.00 C ATOM 565 C AVAL A 22 -1.897 0.200 -2.358 0.20 0.00 C ATOM 566 C BVAL A 22 -2.253 0.513 -2.168 0.80 0.00 C ATOM 567 O AVAL A 22 -1.384 -0.232 -1.326 0.20 0.00 O ATOM 568 O BVAL A 22 -1.764 -0.022 -1.174 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.402 -1.609 -4.000 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.635 -1.181 -3.961 0.80 0.00 C ATOM 571 CG1AVAL A 22 -3.874 -1.269 -3.825 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.123 -0.971 -3.734 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.133 -2.148 -5.398 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.353 -1.560 -5.407 0.80 0.00 C ATOM 0 H AVAL A 22 0.095 -1.708 -3.730 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.129 -1.123 -3.582 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.705 0.374 -4.491 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.079 0.882 -4.276 0.80 0.00 H new ATOM 0 HB AVAL A 22 -2.146 -2.386 -3.280 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.310 -2.004 -3.324 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -4.478 -2.153 -4.027 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.665 -1.874 -4.014 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -4.051 -0.934 -2.803 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.303 -0.751 -2.682 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -4.149 -0.475 -4.519 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.470 -0.136 -4.343 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.762 -3.020 -5.579 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -2.919 -2.455 -5.666 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -2.360 -1.378 -6.135 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.650 -0.741 -6.062 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -1.084 -2.433 -5.482 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.288 -1.756 -5.531 0.80 0.00 H new ATOM 593 N ATYR A 23 -2.793 1.180 -2.364 0.20 0.00 N ATOM 594 N BTYR A 23 -3.156 1.485 -2.093 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.236 1.819 -1.129 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.631 1.991 -0.811 0.80 0.00 C ATOM 597 C ATYR A 23 -4.662 2.344 -1.267 0.20 0.00 C ATOM 598 C BTYR A 23 -5.068 2.493 -0.922 0.80 0.00 C ATOM 599 O ATYR A 23 -5.204 2.419 -2.371 0.20 0.00 O ATOM 600 O BTYR A 23 -5.685 2.415 -1.985 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.292 2.963 -0.757 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.723 3.118 -0.315 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.474 4.200 -1.609 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.671 4.307 -1.247 0.80 0.00 C ATOM 605 CD1ATYR A 23 -1.878 4.298 -2.860 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.687 4.406 -2.223 0.80 0.00 C ATOM 607 CD2ATYR A 23 -3.243 5.268 -1.164 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.603 5.333 -1.148 0.80 0.00 C ATOM 609 CE1ATYR A 23 -2.040 5.427 -3.642 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.634 5.492 -3.075 0.80 0.00 C ATOM 611 CE2ATYR A 23 -3.412 6.398 -1.940 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.559 6.420 -1.998 0.80 0.00 C ATOM 613 CZ ATYR A 23 -2.809 6.473 -3.178 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.571 6.496 -2.960 0.80 0.00 C ATOM 615 OH ATYR A 23 -2.974 7.598 -3.953 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.523 7.579 -3.807 0.80 0.00 O ATOM 0 H ATYR A 23 -3.227 1.550 -3.210 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.574 1.938 -2.906 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.220 1.071 -0.336 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.606 1.171 -0.094 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -2.448 3.226 0.289 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -3.070 3.449 0.664 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.262 2.617 -0.848 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.714 2.728 -0.180 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -1.278 3.479 -3.228 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -0.951 3.621 -2.317 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -3.717 5.214 -0.195 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.374 5.279 -0.394 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -1.567 5.489 -4.611 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -0.862 5.554 -3.828 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -4.014 7.219 -1.579 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.294 7.207 -1.911 0.80 0.00 H new ATOM 0 HH ATYR A 23 -3.595 8.212 -3.510 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.255 8.194 -3.593 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.263 2.706 -0.140 0.20 0.00 N ATOM 636 N BTYR A 24 -5.595 3.006 0.185 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.626 3.223 -0.132 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.959 3.518 0.214 0.80 0.00 C ATOM 639 C ATYR A 24 -6.645 4.705 0.225 0.20 0.00 C ATOM 640 C BTYR A 24 -7.003 4.919 0.818 0.80 0.00 C ATOM 641 O ATYR A 24 -5.740 5.207 0.892 0.20 0.00 O ATOM 642 O BTYR A 24 -6.339 5.198 1.816 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.487 2.437 0.858 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.862 2.578 1.014 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.702 0.994 0.460 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.617 1.114 0.727 0.80 0.00 C ATOM 647 CD1ATYR A 24 -8.525 0.663 -0.609 0.20 0.00 C ATOM 648 CD1BTYR A 24 -8.088 0.525 -0.438 0.80 0.00 C ATOM 649 CD2ATYR A 24 -7.084 -0.038 1.155 0.20 0.00 C ATOM 650 CD2BTYR A 24 -6.913 0.318 1.625 0.80 0.00 C ATOM 651 CE1ATYR A 24 -8.726 -0.654 -0.976 0.20 0.00 C ATOM 652 CE1BTYR A 24 -7.867 -0.813 -0.704 0.80 0.00 C ATOM 653 CE2ATYR A 24 -7.278 -1.358 0.795 0.20 0.00 C ATOM 654 CE2BTYR A 24 -6.686 -1.020 1.367 0.80 0.00 C ATOM 655 CZ ATYR A 24 -8.100 -1.660 -0.272 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.164 -1.581 0.201 0.80 0.00 C ATOM 657 OH ATYR A 24 -8.296 -2.974 -0.633 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.941 -2.913 -0.059 0.80 0.00 O ATOM 0 H ATYR A 24 -4.828 2.651 0.781 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.098 3.078 1.073 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.037 3.105 -1.134 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.321 3.573 -0.813 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.016 2.468 1.841 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.712 2.761 2.078 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.456 2.927 0.953 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.903 2.814 0.794 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -9.017 1.449 -1.163 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -8.637 1.123 -1.150 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -6.441 0.195 1.991 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -6.538 0.753 2.539 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -9.370 -0.894 -1.809 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -8.242 -1.255 -1.615 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -6.789 -2.149 1.345 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -6.137 -1.624 2.075 0.80 0.00 H new ATOM 0 HH ATYR A 24 -7.782 -3.557 -0.036 0.20 0.00 H new ATOM 0 HH BTYR A 24 -6.430 -3.309 0.678 0.80 0.00 H new ATOM 677 N APHE A 25 -7.685 5.403 -0.222 0.20 0.00 N ATOM 678 N BPHE A 25 -7.789 5.797 0.206 0.80 0.00 N ATOM 679 CA APHE A 25 -7.823 6.829 0.050 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.919 7.169 0.680 0.80 0.00 C ATOM 681 C APHE A 25 -9.246 7.163 0.491 0.20 0.00 C ATOM 682 C BPHE A 25 -9.387 7.541 0.867 0.80 0.00 C ATOM 683 O APHE A 25 -10.203 6.952 -0.253 0.20 0.00 O ATOM 684 O BPHE A 25 -10.252 7.103 0.111 0.80 0.00 O ATOM 685 CB APHE A 25 -7.458 7.643 -1.192 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.258 8.137 -0.303 0.80 0.00 C ATOM 687 CG APHE A 25 -7.544 9.128 -0.980 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.572 9.579 -0.025 0.80 0.00 C ATOM 689 CD1APHE A 25 -8.458 9.891 -1.689 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.676 10.184 -0.602 0.80 0.00 C ATOM 691 CD2APHE A 25 -6.708 9.762 -0.075 0.20 0.00 C ATOM 692 CD2BPHE A 25 -6.762 10.331 0.812 0.80 0.00 C ATOM 693 CE1APHE A 25 -8.539 11.257 -1.496 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.968 11.512 -0.351 0.80 0.00 C ATOM 695 CE2APHE A 25 -6.785 11.128 0.123 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.049 11.658 1.067 0.80 0.00 C ATOM 697 CZ APHE A 25 -7.702 11.876 -0.591 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.152 12.250 0.486 0.80 0.00 C ATOM 0 H APHE A 25 -8.444 5.004 -0.774 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.347 5.582 -0.621 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.140 7.088 0.859 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.416 7.243 1.644 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.445 7.386 -1.501 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.178 7.995 -0.269 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.122 7.361 -2.010 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.580 7.892 -1.315 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.115 9.413 -2.401 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -9.317 9.611 -1.256 0.80 0.00 H new ATOM 0 HD2APHE A 25 -5.987 9.182 0.482 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -5.897 9.874 1.270 0.80 0.00 H new ATOM 0 HE1APHE A 25 -9.257 11.840 -2.054 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.832 11.972 -0.808 0.80 0.00 H new ATOM 0 HE2APHE A 25 -6.130 11.610 0.834 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -6.410 12.232 1.721 0.80 0.00 H new ATOM 0 HZ APHE A 25 -7.763 12.944 -0.441 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.377 13.287 0.685 0.80 0.00 H new ATOM 717 N AASN A 26 -9.375 7.683 1.707 0.20 0.00 N ATOM 718 N BASN A 26 -9.661 8.354 1.883 0.80 0.00 N ATOM 719 CA AASN A 26 -10.680 8.046 2.247 0.20 0.00 C ATOM 720 CA BASN A 26 -11.023 8.787 2.172 0.80 0.00 C ATOM 721 C AASN A 26 -11.002 9.508 1.957 0.20 0.00 C ATOM 722 C BASN A 26 -11.242 10.229 1.727 0.80 0.00 C ATOM 723 O AASN A 26 -10.375 10.415 2.505 0.20 0.00 O ATOM 724 O BASN A 26 -10.514 11.134 2.137 0.80 0.00 O ATOM 725 CB AASN A 26 -10.718 7.792 3.756 0.20 0.00 C ATOM 726 CB BASN A 26 -11.317 8.651 3.667 0.80 0.00 C ATOM 727 CG AASN A 26 -12.051 8.171 4.372 0.20 0.00 C ATOM 728 CG BASN A 26 -12.804 8.653 3.966 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.352 9.351 4.552 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.589 9.294 3.267 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.856 7.168 4.701 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.199 7.936 5.013 0.80 0.00 N ATOM 0 H AASN A 26 -8.593 7.862 2.337 0.20 0.00 H new ATOM 0 H BASN A 26 -8.957 8.726 2.520 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.433 7.425 1.761 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.707 8.147 1.615 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.518 6.738 3.950 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.876 7.726 4.039 0.80 0.00 H new ATOM 0 HB3AASN A 26 -9.923 8.361 4.238 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.840 9.471 4.204 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.765 7.361 5.121 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.187 7.902 5.264 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.565 6.205 4.534 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.514 7.420 5.565 0.80 0.00 H new ATOM 745 N AHIS A 27 -11.986 9.731 1.091 0.20 0.00 N ATOM 746 N BHIS A 27 -12.252 10.437 0.887 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.394 11.085 0.730 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.568 11.771 0.389 0.80 0.00 C ATOM 749 C AHIS A 27 -13.520 11.573 1.636 0.20 0.00 C ATOM 750 C BHIS A 27 -13.381 12.556 1.413 0.80 0.00 C ATOM 751 O AHIS A 27 -14.485 12.180 1.169 0.20 0.00 O ATOM 752 O BHIS A 27 -13.466 13.782 1.344 0.80 0.00 O ATOM 753 CB AHIS A 27 -12.843 11.131 -0.731 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.340 11.675 -0.928 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.073 10.324 -1.007 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.541 10.783 -0.855 0.80 0.00 C ATOM 757 ND1AHIS A 27 -14.805 9.525 -0.197 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.776 11.219 -0.422 0.80 0.00 N ATOM 759 CD2AHIS A 27 -14.683 10.280 -2.242 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.693 9.474 -1.163 0.80 0.00 C ATOM 761 CE1AHIS A 27 -15.837 9.017 -0.951 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.633 10.215 -0.466 0.80 0.00 C ATOM 763 NE2AHIS A 27 -15.740 9.490 -2.180 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -16.002 9.146 -0.914 0.80 0.00 N ATOM 0 H AHIS A 27 -12.515 8.993 0.627 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.864 9.700 0.538 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.536 11.744 0.860 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.630 12.299 0.216 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.028 12.168 -1.013 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.657 12.674 -1.227 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.032 10.769 -1.363 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.671 11.307 -1.706 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.349 10.809 -3.123 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.926 8.811 -1.536 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.602 8.342 -0.596 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.674 10.261 -0.183 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.374 9.281 -2.951 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.419 8.226 -1.053 0.80 0.00 H new ATOM 779 N AILE A 28 -13.391 11.306 2.931 0.20 0.00 N ATOM 780 N BILE A 28 -13.977 11.842 2.361 0.80 0.00 N ATOM 781 CA AILE A 28 -14.397 11.719 3.901 0.20 0.00 C ATOM 782 CA BILE A 28 -14.782 12.471 3.399 0.80 0.00 C ATOM 783 C AILE A 28 -13.753 12.399 5.105 0.20 0.00 C ATOM 784 C BILE A 28 -13.910 12.954 4.554 0.80 0.00 C ATOM 785 O AILE A 28 -14.269 13.390 5.620 0.20 0.00 O ATOM 786 O BILE A 28 -14.036 14.092 5.008 0.80 0.00 O ATOM 787 CB AILE A 28 -15.236 10.521 4.386 0.20 0.00 C ATOM 788 CB BILE A 28 -15.850 11.507 3.948 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.217 10.083 3.298 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.790 11.061 2.825 0.80 0.00 C ATOM 791 CG2AILE A 28 -15.979 10.879 5.664 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.634 12.166 5.071 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.343 11.065 3.067 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.877 10.117 3.287 0.80 0.00 C ATOM 0 H AILE A 28 -12.599 10.805 3.333 0.20 0.00 H new ATOM 0 H BILE A 28 -13.917 10.826 2.431 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.052 12.428 3.395 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.278 13.325 2.937 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.565 9.689 4.599 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.350 10.626 4.351 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.672 9.942 2.365 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.251 11.941 2.377 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.640 9.116 3.570 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.205 10.575 2.044 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.567 10.023 5.995 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.384 11.471 5.447 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.261 11.147 6.439 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.954 12.438 5.878 0.80 0.00 H new ATOM 0 HG23AILE A 28 -16.642 11.724 5.475 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.126 13.062 4.694 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.999 10.688 2.282 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.505 9.843 2.439 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.913 11.188 3.988 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.424 9.220 3.709 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.930 12.027 2.764 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.486 10.607 4.046 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.624 11.857 5.550 0.20 0.00 N ATOM 818 N BTHR A 29 -13.023 12.083 5.024 0.80 0.00 N ATOM 819 CA ATHR A 29 -11.909 12.409 6.693 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.129 12.420 6.126 0.80 0.00 C ATOM 821 C ATHR A 29 -10.466 12.738 6.332 0.20 0.00 C ATOM 822 C BTHR A 29 -10.816 12.997 5.609 0.80 0.00 C ATOM 823 O ATHR A 29 -9.582 12.721 7.188 0.20 0.00 O ATOM 824 O BTHR A 29 -10.081 13.649 6.351 0.80 0.00 O ATOM 825 CB ATHR A 29 -11.919 11.435 7.886 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.827 11.189 7.002 0.80 0.00 C ATOM 827 OG1ATHR A 29 -12.929 10.439 7.696 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.805 10.006 6.194 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.169 12.178 9.189 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.868 11.038 8.100 0.80 0.00 C ATOM 0 H ATHR A 29 -12.185 11.035 5.135 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.904 11.138 4.659 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.427 13.325 6.977 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.640 13.169 6.731 0.80 0.00 H new ATOM 0 HB ATHR A 29 -10.942 10.954 7.943 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.851 11.331 7.465 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -12.928 9.823 8.458 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.611 9.228 6.758 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.172 11.469 10.017 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.634 10.162 8.705 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.381 12.915 9.345 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.863 11.927 8.731 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.134 12.683 9.141 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.854 10.916 7.652 0.80 0.00 H new ATOM 845 N AASN A 30 -10.232 13.039 5.058 0.20 0.00 N ATOM 846 N BASN A 30 -10.529 12.756 4.335 0.80 0.00 N ATOM 847 CA AASN A 30 -8.895 13.372 4.584 0.20 0.00 C ATOM 848 CA BASN A 30 -9.303 13.253 3.722 0.80 0.00 C ATOM 849 C AASN A 30 -7.871 12.357 5.085 0.20 0.00 C ATOM 850 C BASN A 30 -8.075 12.630 4.376 0.80 0.00 C ATOM 851 O AASN A 30 -6.719 12.700 5.349 0.20 0.00 O ATOM 852 O BASN A 30 -7.262 13.327 4.982 0.80 0.00 O ATOM 853 CB AASN A 30 -8.503 14.778 5.046 0.20 0.00 C ATOM 854 CB BASN A 30 -9.235 14.778 3.830 0.80 0.00 C ATOM 855 CG AASN A 30 -9.084 15.860 4.157 0.20 0.00 C ATOM 856 CG BASN A 30 -8.311 15.390 2.797 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.080 16.496 4.506 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.754 16.099 1.892 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.462 16.077 3.004 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.017 15.121 2.927 0.80 0.00 N ATOM 0 H AASN A 30 -10.952 13.059 4.336 0.20 0.00 H new ATOM 0 H BASN A 30 -11.128 12.220 3.707 0.80 0.00 H new ATOM 0 HA AASN A 30 -8.906 13.344 3.494 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.313 12.970 2.669 0.80 0.00 H new ATOM 0 HB2AASN A 30 -8.845 14.930 6.070 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.236 15.193 3.709 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.416 14.865 5.057 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.894 15.054 4.828 0.80 0.00 H new ATOM 0 HD21AASN A 30 -8.806 16.795 2.366 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.347 15.507 2.262 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.640 15.526 2.756 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.694 14.529 3.692 0.80 0.00 H new ATOM 873 N AALA A 31 -8.300 11.106 5.210 0.20 0.00 N ATOM 874 N BALA A 31 -7.948 11.313 4.250 0.80 0.00 N ATOM 875 CA AALA A 31 -7.422 10.040 5.676 0.20 0.00 C ATOM 876 CA BALA A 31 -6.817 10.596 4.828 0.80 0.00 C ATOM 877 C AALA A 31 -6.846 9.252 4.504 0.20 0.00 C ATOM 878 C BALA A 31 -6.514 9.326 4.042 0.80 0.00 C ATOM 879 O AALA A 31 -7.422 9.230 3.417 0.20 0.00 O ATOM 880 O BALA A 31 -7.334 8.865 3.247 0.80 0.00 O ATOM 881 CB AALA A 31 -8.172 9.112 6.621 0.20 0.00 C ATOM 882 CB BALA A 31 -7.093 10.264 6.287 0.80 0.00 C ATOM 0 H AALA A 31 -9.251 10.806 4.995 0.20 0.00 H new ATOM 0 H BALA A 31 -8.614 10.721 3.753 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.593 10.497 6.216 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.941 11.243 4.774 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.504 8.321 6.961 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.241 9.729 6.706 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.529 9.679 7.480 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.253 11.186 6.846 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.021 8.670 6.099 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.983 9.639 6.356 0.80 0.00 H new ATOM 893 N ASER A 32 -5.707 8.608 4.735 0.20 0.00 N ATOM 894 N BSER A 32 -5.331 8.764 4.268 0.80 0.00 N ATOM 895 CA ASER A 32 -5.051 7.822 3.695 0.20 0.00 C ATOM 896 CA BSER A 32 -4.918 7.547 3.577 0.80 0.00 C ATOM 897 C ASER A 32 -4.089 6.807 4.308 0.20 0.00 C ATOM 898 C BSER A 32 -4.495 6.474 4.574 0.80 0.00 C ATOM 899 O ASER A 32 -2.882 7.039 4.366 0.20 0.00 O ATOM 900 O BSER A 32 -3.979 6.777 5.648 0.80 0.00 O ATOM 901 CB ASER A 32 -4.296 8.740 2.733 0.20 0.00 C ATOM 902 CB BSER A 32 -3.767 7.847 2.615 0.80 0.00 C ATOM 903 OG ASER A 32 -4.177 8.147 1.451 0.20 0.00 O ATOM 904 OG BSER A 32 -2.519 7.483 3.181 0.80 0.00 O ATOM 0 H ASER A 32 -5.219 8.614 5.631 0.20 0.00 H new ATOM 0 H BSER A 32 -4.642 9.131 4.924 0.80 0.00 H new ATOM 0 HA ASER A 32 -5.819 7.282 3.142 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.770 7.175 3.008 0.80 0.00 H new ATOM 0 HB2ASER A 32 -4.818 9.693 2.649 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.918 7.304 1.682 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.304 8.954 3.132 0.20 0.00 H new ATOM 0 HB3BSER A 32 -3.762 8.909 2.369 0.80 0.00 H new ATOM 0 HG ASER A 32 -3.692 8.754 0.854 0.20 0.00 H new ATOM 0 HG BSER A 32 -1.801 7.684 2.545 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.634 5.684 4.762 0.20 0.00 N ATOM 916 N BGLN A 33 -4.718 5.214 4.209 0.80 0.00 N ATOM 917 CA AGLN A 33 -3.826 4.635 5.370 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.361 4.094 5.071 0.80 0.00 C ATOM 919 C AGLN A 33 -3.649 3.459 4.413 0.20 0.00 C ATOM 920 C BGLN A 33 -4.041 2.852 4.245 0.80 0.00 C ATOM 921 O AGLN A 33 -4.429 3.285 3.478 0.20 0.00 O ATOM 922 O BGLN A 33 -4.776 2.501 3.323 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.469 4.154 6.673 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.499 3.792 6.047 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.852 3.549 6.480 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.177 2.681 7.034 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.585 3.342 7.790 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.270 2.478 8.062 0.80 0.00 C ATOM 929 OE1AGLN A 33 -7.677 3.873 7.995 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.270 3.109 9.120 0.80 0.00 O ATOM 931 NE2AGLN A 33 -5.986 2.565 8.687 0.20 0.00 N ATOM 932 NE2BGLN A 33 -7.214 1.595 7.757 0.80 0.00 N ATOM 0 H AGLN A 33 -5.632 5.477 4.720 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.144 4.945 3.322 0.80 0.00 H new ATOM 0 HA AGLN A 33 -2.844 5.052 5.591 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.471 4.372 5.636 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -3.819 3.413 7.138 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.742 4.699 6.601 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.542 4.993 7.365 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.389 3.517 5.481 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.443 4.200 5.836 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -5.019 1.750 6.489 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -5.758 2.593 5.966 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.242 2.914 7.544 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -5.081 2.145 8.475 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -7.176 1.094 6.869 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -6.431 2.389 9.587 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.977 1.418 8.410 0.80 0.00 H new ATOM 949 N APHE A 34 -2.618 2.657 4.655 0.20 0.00 N ATOM 950 N BPHE A 34 -2.938 2.191 4.583 0.80 0.00 N ATOM 951 CA APHE A 34 -2.337 1.498 3.813 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.520 0.989 3.872 0.80 0.00 C ATOM 953 C APHE A 34 -3.176 0.298 4.245 0.20 0.00 C ATOM 954 C BPHE A 34 -3.285 -0.233 4.372 0.80 0.00 C ATOM 955 O APHE A 34 -3.490 -0.574 3.434 0.20 0.00 O ATOM 956 O BPHE A 34 -3.583 -1.148 3.605 0.80 0.00 O ATOM 957 CB APHE A 34 -0.850 1.146 3.875 0.20 0.00 C ATOM 958 CB BPHE A 34 -1.015 0.767 4.044 0.80 0.00 C ATOM 959 CG APHE A 34 0.055 2.336 3.737 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.179 1.897 3.515 0.80 0.00 C ATOM 961 CD1APHE A 34 1.068 2.564 4.654 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.575 2.680 4.374 0.80 0.00 C ATOM 963 CD2APHE A 34 -0.106 3.228 2.688 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.145 2.176 2.157 0.80 0.00 C ATOM 965 CE1APHE A 34 1.901 3.659 4.531 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.346 3.721 3.892 0.80 0.00 C ATOM 967 CE2APHE A 34 0.725 4.323 2.557 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.625 3.214 1.669 0.80 0.00 C ATOM 969 CZ APHE A 34 1.730 4.539 3.481 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.369 3.987 2.536 0.80 0.00 C ATOM 0 H APHE A 34 -1.963 2.787 5.426 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.318 2.468 5.344 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.600 1.752 2.786 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.742 1.127 2.814 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.642 0.650 4.823 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.795 0.627 5.102 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.621 0.432 3.084 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.731 -0.154 3.535 0.80 0.00 H new ATOM 0 HD1APHE A 34 1.208 1.877 5.475 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.560 2.474 5.434 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.891 3.064 1.964 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.727 1.575 1.474 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.685 3.826 5.255 0.20 0.00 H new ATOM 0 HE1BPHE A 34 1.928 4.324 4.573 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.590 5.009 1.734 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.644 3.420 0.609 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.381 5.395 3.382 0.20 0.00 H new ATOM 0 HZ BPHE A 34 1.969 4.800 2.155 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.531 0.261 5.524 0.20 0.00 N ATOM 990 N BGLU A 35 -3.600 -0.239 5.663 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.330 -0.833 6.063 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.331 -1.347 6.266 0.80 0.00 C ATOM 993 C AGLU A 35 -5.764 -0.766 5.543 0.20 0.00 C ATOM 994 C BGLU A 35 -5.803 -1.315 5.861 0.80 0.00 C ATOM 995 O AGLU A 35 -6.368 0.304 5.495 0.20 0.00 O ATOM 996 O BGLU A 35 -6.440 -0.263 5.886 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.328 -0.792 7.592 0.20 0.00 C ATOM 998 CB BGLU A 35 -4.208 -1.299 7.791 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.577 -2.144 8.238 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.780 -1.145 8.283 0.80 0.00 C ATOM 1001 CD AGLU A 35 -4.033 -2.224 9.652 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.536 -1.861 9.597 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -3.288 -1.306 10.053 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -3.522 -2.275 10.239 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -4.351 -3.205 10.356 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -1.356 -2.005 9.985 0.80 0.00 O ATOM 0 H AGLU A 35 -3.278 0.975 6.207 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.360 0.511 6.312 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.884 -1.771 5.732 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.893 -2.277 5.903 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.368 -0.406 7.935 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.805 -0.469 8.169 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.092 -0.092 7.929 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.631 -2.212 8.210 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.648 -2.344 8.253 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -2.096 -1.534 7.529 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -4.116 -2.923 7.631 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.553 -0.086 8.403 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.301 -1.919 5.156 0.20 0.00 N ATOM 1020 N BARG A 36 -6.331 -2.475 5.487 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.661 -1.991 4.639 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.727 -2.580 5.074 0.80 0.00 C ATOM 1023 C AARG A 36 -8.669 -1.531 5.690 0.20 0.00 C ATOM 1024 C BARG A 36 -8.657 -2.066 6.169 0.80 0.00 C ATOM 1025 O AARG A 36 -8.597 -1.907 6.859 0.20 0.00 O ATOM 1026 O BARG A 36 -8.798 -2.671 7.231 0.80 0.00 O ATOM 1027 CB AARG A 36 -7.986 -3.420 4.196 0.20 0.00 C ATOM 1028 CB BARG A 36 -8.072 -4.031 4.735 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.412 -3.594 3.701 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.501 -4.221 4.254 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.710 -5.048 3.365 0.20 0.00 C ATOM 1032 CD BARG A 36 -10.012 -5.618 4.561 0.80 0.00 C ATOM 1033 NE AARG A 36 -11.130 -5.363 3.512 0.20 0.00 N ATOM 1034 NE BARG A 36 -10.282 -6.383 3.346 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.653 -6.547 3.211 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.069 -7.452 3.312 0.80 0.00 C ATOM 1037 NH1AARG A 36 -10.881 -7.521 2.749 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.662 -7.881 4.416 0.80 0.00 N ATOM 1039 NH2AARG A 36 -12.955 -6.757 3.372 0.20 0.00 N ATOM 1040 NH2BARG A 36 -11.264 -8.095 2.167 0.80 0.00 N ATOM 0 H AARG A 36 -5.815 -2.815 5.191 0.20 0.00 H new ATOM 0 H BARG A 36 -5.815 -3.355 5.461 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.731 -1.326 3.778 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.865 -1.964 4.185 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.297 -3.711 3.403 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.388 -4.388 3.965 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.815 -4.098 5.032 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.909 -4.650 5.617 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.108 -3.245 4.463 0.20 0.00 H new ATOM 0 HG2BARG A 36 -10.147 -3.484 4.730 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.570 -2.975 2.818 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.551 -4.042 3.180 0.80 0.00 H new ATOM 0 HD2AARG A 36 -9.396 -5.255 2.342 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.277 -6.148 5.167 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.125 -5.698 4.016 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.923 -5.548 5.155 0.80 0.00 H new ATOM 0 HE AARG A 36 -11.752 -4.636 3.864 0.20 0.00 H new ATOM 0 HE BARG A 36 -9.842 -6.080 2.477 0.80 0.00 H new ATOM 0 HH11AARG A 36 -9.881 -7.363 2.623 0.20 0.00 H new ATOM 0 HH11BARG A 36 -11.515 -7.390 5.298 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.287 -8.428 2.519 0.20 0.00 H new ATOM 0 HH12BARG A 36 -12.266 -8.703 4.384 0.80 0.00 H new ATOM 0 HH21AARG A 36 -13.552 -6.010 3.726 0.20 0.00 H new ATOM 0 HH21BARG A 36 -10.809 -7.768 1.315 0.80 0.00 H new ATOM 0 HH22AARG A 36 -13.357 -7.665 3.141 0.20 0.00 H new ATOM 0 HH22BARG A 36 -11.868 -8.916 2.140 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.630 -0.698 5.264 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.308 -0.923 5.905 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.669 -0.169 6.151 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.236 -0.303 6.855 0.80 0.00 C ATOM 1071 C APRO A 37 -11.659 -1.243 6.591 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.518 -1.110 7.022 0.80 0.00 C ATOM 1073 O APRO A 37 -12.004 -2.136 5.817 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.809 -2.003 6.227 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.370 0.883 5.289 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.537 1.056 6.219 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.130 0.444 3.885 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.301 0.856 4.762 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.775 -0.209 3.883 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.186 -0.148 4.657 0.80 0.00 C ATOM 0 HA APRO A 37 -10.251 0.228 7.076 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.811 -0.235 7.857 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.436 0.931 5.512 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.564 1.365 6.414 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.962 1.878 5.468 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.888 1.833 6.622 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.900 -0.254 3.557 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.202 0.492 4.267 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.156 1.292 3.201 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -10.028 1.794 4.278 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.723 -1.024 3.161 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.297 -0.782 3.777 0.80 0.00 H new ATOM 0 HD3APRO A 37 -8.988 0.499 3.623 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.213 0.338 4.579 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.112 -1.150 7.836 0.20 0.00 N ATOM 1096 N BSER A 38 -12.284 -0.787 8.059 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.058 -2.116 8.379 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.537 -1.483 8.333 0.80 0.00 C ATOM 1099 C ASER A 38 -14.457 -1.884 7.812 0.20 0.00 C ATOM 1100 C BSER A 38 -14.656 -0.493 8.637 0.80 0.00 C ATOM 1101 O ASER A 38 -15.028 -2.758 7.165 0.20 0.00 O ATOM 1102 O BSER A 38 -14.413 0.703 8.805 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.094 -2.026 9.906 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.361 -2.451 9.504 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.368 -0.703 10.332 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.560 -3.160 9.762 0.80 0.00 O ATOM 0 H ASER A 38 -11.839 -0.415 8.488 0.20 0.00 H new ATOM 0 H BSER A 38 -12.059 -0.047 8.724 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.727 -3.113 8.089 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.812 -2.048 7.442 0.80 0.00 H new ATOM 0 HB2ASER A 38 -13.855 -2.702 10.295 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.559 -3.155 9.281 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.138 -2.353 10.315 0.20 0.00 H new ATOM 0 HB3BSER A 38 -13.062 -1.899 10.395 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.387 -0.672 11.311 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.422 -3.774 10.514 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.000 -0.697 8.063 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.883 -0.999 8.708 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.326 -0.368 7.571 0.20 0.00 C ATOM 1120 CA BGLY A 39 -17.021 -0.144 8.994 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.415 -0.719 8.565 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.263 -0.935 9.351 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.539 -1.873 8.979 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.171 -1.869 10.147 0.80 0.00 O ATOM 0 H AGLY A 39 -14.546 0.043 8.598 0.20 0.00 H new ATOM 0 H BGLY A 39 -16.110 -1.984 8.573 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.373 0.697 7.346 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.771 0.526 9.817 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.506 -0.899 6.636 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -17.229 0.482 8.126 0.80 0.00 H new TER 1131 GLY A 39