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= 0.555 K(o=1,f=-7!) USER MOD Set 1.2: A 29 THR OG1A: rot -72:sc= 1.13 USER MOD Set 1.3: A 29 THR OG1B: rot -165:sc= -0.671 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 154:sc= -0.0972 (180deg=-0.599) 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 71:sc= 1.36 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.619 K(o=-0.62,f=-2.4) USER MOD Single : A 18 ASN B: amide:sc= -0.0577 X(o=-0.058,f=-0.3) USER MOD Single : A 19 SER OG A: rot -63:sc= 0.653 USER MOD Single : A 19 SER OG B: rot 180:sc= 0 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= -1.15 K(o=-1.1,f=-14!) USER MOD Single : A 27 HIS A: no HE2:sc= -1.34 K(o=-1.3,f=-2.1!) USER MOD Single : A 27 HIS B: no HD1:sc= -1.78 K(o=-1.8,f=-3.4) USER MOD Single : A 30 ASN A: amide:sc= -0.257 X(o=-0.26,f=-0.078) USER MOD Single : A 30 ASN B: amide:sc= -0.173 X(o=-0.17,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= 0.0308 USER MOD Single : A 33 GLN A: amide:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 33 GLN B: amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.122 USER MOD Single : A 38 SER OG B: rot 180:sc= 0.0943 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -11.869 -4.023 -4.573 0.50 0.00 N ATOM 24 N BLYS A 6 -12.708 -5.066 -4.174 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.209 -4.032 -3.997 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.644 -4.893 -3.070 0.50 0.00 C ATOM 27 C ALYS A 6 -13.229 -3.306 -2.656 0.50 0.00 C ATOM 28 C BLYS A 6 -13.124 -3.858 -2.076 0.50 0.00 C ATOM 29 O ALYS A 6 -12.819 -3.858 -1.634 0.50 0.00 O ATOM 30 O BLYS A 6 -11.937 -3.840 -1.746 0.50 0.00 O ATOM 31 CB ALYS A 6 -13.697 -5.472 -3.817 0.50 0.00 C ATOM 32 CB BLYS A 6 -13.878 -6.226 -2.358 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.656 -6.398 -3.217 0.50 0.00 C ATOM 34 CG BLYS A 6 -12.596 -6.913 -1.915 0.50 0.00 C ATOM 35 CD ALYS A 6 -13.151 -7.833 -3.160 0.50 0.00 C ATOM 36 CD BLYS A 6 -12.573 -8.373 -2.340 0.50 0.00 C ATOM 37 CE ALYS A 6 -12.056 -8.816 -3.542 0.50 0.00 C ATOM 38 CE BLYS A 6 -11.621 -8.598 -3.505 0.50 0.00 C ATOM 39 NZ ALYS A 6 -12.174 -10.097 -2.791 0.50 0.00 N ATOM 40 NZ BLYS A 6 -10.213 -8.272 -3.142 0.50 0.00 N ATOM 0 HA ALYS A 6 -13.877 -3.510 -4.682 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.589 -4.537 -3.480 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -14.580 -5.470 -3.178 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -14.509 -6.057 -1.486 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -14.005 -5.866 -4.786 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -14.426 -6.893 -3.024 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -11.742 -6.351 -3.809 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -11.737 -6.395 -2.342 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.403 -6.060 -2.212 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -12.502 -6.847 -0.831 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -13.507 -8.056 -2.154 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -12.271 -8.994 -1.497 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -14.000 -7.953 -3.833 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -13.578 -8.687 -2.624 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -12.105 -9.017 -4.612 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -11.681 -9.637 -3.828 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -11.082 -8.368 -3.346 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -11.930 -7.983 -4.350 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -11.410 -10.740 -3.080 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -9.564 -8.819 -3.743 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -12.102 -9.909 -1.771 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -10.044 -7.256 -3.286 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -13.093 -10.537 -2.998 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -10.047 -8.513 -2.144 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.707 -2.068 -2.666 0.50 0.00 N ATOM 68 N BLEU A 7 -14.019 -2.999 -1.599 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.782 -1.266 -1.449 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.651 -1.962 -0.642 0.50 0.00 C ATOM 71 C ALEU A 7 -15.227 -0.895 -1.128 0.50 0.00 C ATOM 72 C BLEU A 7 -14.886 -1.217 -0.146 0.50 0.00 C ATOM 73 O ALEU A 7 -16.099 -0.894 -1.997 0.50 0.00 O ATOM 74 O BLEU A 7 -15.922 -1.170 -0.811 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.937 0.001 -1.596 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.668 -0.979 -1.278 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.454 -0.136 -1.255 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.258 -0.006 -2.299 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.856 -1.346 -1.957 0.50 0.00 C ATOM 80 CD1BLEU A 7 -13.139 1.427 -1.805 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.698 1.129 -1.637 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.569 -0.165 -3.647 0.50 0.00 C ATOM 0 H ALEU A 7 -14.049 -1.596 -3.503 0.50 0.00 H new ATOM 0 H BLEU A 7 -15.005 -3.001 -1.860 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.389 -1.863 -0.626 0.50 0.00 H new ATOM 0 HA BLEU A 7 -13.172 -2.442 0.211 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.021 0.352 -2.624 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.199 -0.400 -0.483 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.365 0.775 -0.959 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.878 -1.550 -1.765 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.361 -0.280 -0.179 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.316 -0.239 -2.423 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.799 -1.429 -1.703 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.565 2.104 -2.546 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.378 -2.248 -1.636 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.679 1.533 -0.864 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -10.962 -1.230 -3.036 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -12.088 1.673 -1.650 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.644 1.012 -1.387 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -13.002 0.535 -4.362 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.799 1.304 -2.708 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.504 0.040 -3.538 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.109 1.978 -1.090 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.707 -1.184 -4.008 0.50 0.00 H new ATOM 105 N APRO A 8 -15.485 -0.572 0.147 0.50 0.00 N ATOM 106 N BPRO A 8 -14.775 -0.616 1.047 0.50 0.00 N ATOM 107 CA APRO A 8 -16.823 -0.189 0.610 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.872 0.141 1.657 0.50 0.00 C ATOM 109 C APRO A 8 -17.256 1.172 0.075 0.50 0.00 C ATOM 110 C BPRO A 8 -16.157 1.445 0.919 0.50 0.00 C ATOM 111 O APRO A 8 -16.479 1.897 -0.548 0.50 0.00 O ATOM 112 O BPRO A 8 -15.321 1.962 0.179 0.50 0.00 O ATOM 113 CB APRO A 8 -16.669 -0.139 2.132 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.361 0.429 3.071 0.50 0.00 C ATOM 115 CG APRO A 8 -15.222 0.130 2.360 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.876 0.394 2.953 0.50 0.00 C ATOM 117 CD APRO A 8 -14.492 -0.551 1.235 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.571 -0.630 1.894 0.50 0.00 C ATOM 0 HA APRO A 8 -17.588 -0.885 0.266 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.811 -0.411 1.632 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.290 0.644 2.567 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.707 1.400 3.427 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.974 -1.079 2.591 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.719 -0.317 3.781 0.50 0.00 H new ATOM 0 HG2APRO A 8 -15.020 1.201 2.364 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.483 1.372 2.675 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.900 -0.259 3.326 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.415 0.123 3.903 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.594 -0.003 0.949 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.678 -0.367 1.327 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.177 -1.557 1.511 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.396 -1.615 2.327 0.50 0.00 H new ATOM 133 N APRO A 9 -18.526 1.528 0.319 0.50 0.00 N ATOM 134 N BPRO A 9 -17.365 1.989 1.123 0.50 0.00 N ATOM 135 CA APRO A 9 -19.090 2.804 -0.130 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.788 3.240 0.487 0.50 0.00 C ATOM 137 C APRO A 9 -18.507 3.994 0.624 0.50 0.00 C ATOM 138 C BPRO A 9 -17.041 4.452 1.034 0.50 0.00 C ATOM 139 O APRO A 9 -18.723 4.145 1.826 0.50 0.00 O ATOM 140 O BPRO A 9 -16.660 4.480 2.204 0.50 0.00 O ATOM 141 CB APRO A 9 -20.582 2.658 0.172 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.277 3.328 0.832 0.50 0.00 C ATOM 143 CG APRO A 9 -20.649 1.665 1.282 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.423 2.536 2.084 0.50 0.00 C ATOM 145 CD APRO A 9 -19.507 0.713 1.054 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.412 1.427 1.992 0.50 0.00 C ATOM 0 HA APRO A 9 -18.871 2.999 -1.180 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.584 3.241 -0.584 0.50 0.00 H new ATOM 0 HB2APRO A 9 -21.021 3.611 0.466 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.589 4.362 0.979 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.131 2.311 -0.703 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.894 2.920 0.031 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.560 2.156 2.251 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.243 3.157 2.962 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.603 1.138 1.278 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.433 2.137 2.178 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.098 0.343 1.994 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -18.019 1.160 2.973 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.819 -0.158 0.477 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.846 0.523 1.565 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.767 4.838 -0.089 0.50 0.00 N ATOM 162 N BGLY A 10 -16.837 5.451 0.181 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.165 6.003 0.531 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.136 6.651 0.599 0.50 0.00 C ATOM 165 C AGLY A 10 -15.664 6.063 0.318 0.50 0.00 C ATOM 166 C BGLY A 10 -14.647 6.577 0.329 0.50 0.00 C ATOM 167 O AGLY A 10 -15.073 7.144 0.325 0.50 0.00 O ATOM 168 O BGLY A 10 -14.002 7.596 0.084 0.50 0.00 O ATOM 0 H AGLY A 10 -17.574 4.735 -1.085 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.144 5.451 -0.792 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.623 6.905 0.124 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.554 7.512 0.078 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.377 5.992 1.600 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.301 6.812 1.664 0.50 0.00 H new ATOM 175 N ATRP A 11 -15.048 4.903 0.130 0.50 0.00 N ATOM 176 N BTRP A 11 -14.099 5.368 0.375 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.608 4.828 -0.085 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.674 5.166 0.136 0.50 0.00 C ATOM 179 C ATRP A 11 -13.279 4.813 -1.574 0.50 0.00 C ATOM 180 C BTRP A 11 -12.403 4.911 -1.343 0.50 0.00 C ATOM 181 O ATRP A 11 -14.098 4.403 -2.395 0.50 0.00 O ATOM 182 O BTRP A 11 -13.191 4.258 -2.025 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.036 3.579 0.588 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.156 3.992 0.970 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.764 3.764 2.052 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.457 4.126 2.433 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.633 3.537 3.081 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.639 3.842 3.056 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.544 4.217 2.645 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.562 4.579 3.454 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.025 3.820 4.280 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.533 4.092 4.403 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.743 4.238 4.041 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.268 4.544 4.672 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.301 4.603 2.137 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.233 5.010 3.458 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.745 4.633 4.928 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.688 4.922 5.880 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.313 4.995 3.019 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.658 5.387 4.656 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.539 5.006 4.401 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.383 5.340 5.854 0.50 0.00 C ATOM 0 H ATRP A 11 -15.523 4.000 0.122 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.619 4.514 0.575 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.153 5.713 0.359 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.149 6.074 0.434 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.734 2.752 0.457 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.598 3.068 0.598 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.110 3.297 0.087 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.078 3.906 0.834 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.648 3.187 2.969 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.527 3.475 2.562 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.458 3.733 5.199 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.275 3.962 5.091 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.116 4.595 1.073 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.665 5.048 2.540 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.917 4.644 5.994 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.246 4.887 6.804 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.350 5.298 2.636 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.632 5.724 4.669 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.745 5.315 5.064 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.904 5.639 6.775 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.077 5.266 -1.913 0.50 0.00 N ATOM 224 N BGLU A 12 -11.280 5.433 -1.832 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.641 5.305 -3.305 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.907 5.262 -3.231 0.50 0.00 C ATOM 227 C AGLU A 12 -10.292 4.612 -3.474 0.50 0.00 C ATOM 228 C BGLU A 12 -9.574 4.531 -3.352 0.50 0.00 C ATOM 229 O AGLU A 12 -9.285 5.042 -2.912 0.50 0.00 O ATOM 230 O BGLU A 12 -8.670 4.724 -2.540 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.546 6.753 -3.792 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.821 6.620 -3.930 0.50 0.00 C ATOM 233 CG AGLU A 12 -12.043 6.949 -5.215 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.955 7.564 -3.565 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.641 8.292 -5.791 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.349 8.475 -4.713 0.50 0.00 C ATOM 237 OE1AGLU A 12 -11.575 8.408 -7.034 0.50 0.00 O ATOM 238 OE1BGLU A 12 -11.506 8.700 -5.606 0.50 0.00 O ATOM 239 OE2AGLU A 12 -11.391 9.227 -5.003 0.50 0.00 O ATOM 240 OE2BGLU A 12 -13.498 8.961 -4.717 0.50 0.00 O ATOM 0 H AGLU A 12 -11.388 5.611 -1.245 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.616 5.976 -1.281 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.380 4.774 -3.905 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.677 4.661 -3.715 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.123 7.391 -3.123 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -9.871 7.091 -3.676 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.509 7.081 -3.730 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.821 6.465 -5.009 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -11.648 6.154 -5.847 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.822 6.981 -3.255 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -13.129 6.860 -5.232 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.656 8.171 -2.710 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.282 3.534 -4.251 0.50 0.00 N ATOM 254 N BLYS A 13 -9.459 3.688 -4.373 0.50 0.00 N ATOM 255 CA ALYS A 13 -9.057 2.779 -4.495 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.236 2.927 -4.604 0.50 0.00 C ATOM 257 C ALYS A 13 -8.226 3.430 -5.595 0.50 0.00 C ATOM 258 C BLYS A 13 -7.362 3.607 -5.653 0.50 0.00 C ATOM 259 O ALYS A 13 -8.646 3.483 -6.753 0.50 0.00 O ATOM 260 O BLYS A 13 -7.777 3.792 -6.797 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.393 1.336 -4.879 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.574 1.502 -5.052 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.170 0.451 -5.045 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.358 0.686 -5.453 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.805 0.271 -6.509 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.759 -0.641 -6.075 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.056 -1.032 -6.741 0.50 0.00 C ATOM 268 CE BLYS A 13 -6.918 -0.959 -7.302 0.50 0.00 C ATOM 269 NZ ALYS A 13 -7.395 -1.641 -8.058 0.50 0.00 N ATOM 270 NZ BLYS A 13 -7.742 -1.512 -8.411 0.50 0.00 N ATOM 0 H ALYS A 13 -11.107 3.163 -4.722 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.198 3.514 -5.054 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.471 2.777 -3.576 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.682 2.885 -3.666 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -10.041 0.907 -4.115 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.094 0.990 -4.243 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.958 1.339 -5.811 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.264 1.549 -5.895 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.327 0.890 -4.511 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.755 1.254 -6.162 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -8.361 -0.523 -4.595 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.735 0.505 -4.577 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.711 0.284 -7.115 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.647 -1.437 -5.339 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -7.190 1.109 -6.837 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -8.813 -0.610 -6.353 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -5.983 -0.848 -6.692 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.413 -0.054 -7.641 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -7.295 -1.735 -5.943 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -6.142 -1.676 -7.034 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -6.864 -2.527 -8.178 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -7.132 -1.716 -9.228 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -8.415 -1.841 -8.096 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -8.204 -2.389 -8.096 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -7.143 -0.981 -8.821 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -8.467 -0.818 -8.684 0.50 0.00 H new ATOM 297 N AARG A 14 -7.048 3.922 -5.229 0.50 0.00 N ATOM 298 N BARG A 14 -6.147 3.975 -5.255 0.50 0.00 N ATOM 299 CA AARG A 14 -6.159 4.570 -6.186 0.50 0.00 C ATOM 300 CA BARG A 14 -5.215 4.634 -6.161 0.50 0.00 C ATOM 301 C AARG A 14 -4.841 3.812 -6.301 0.50 0.00 C ATOM 302 C BARG A 14 -3.890 3.879 -6.218 0.50 0.00 C ATOM 303 O AARG A 14 -4.541 2.940 -5.485 0.50 0.00 O ATOM 304 O BARG A 14 -3.459 3.285 -5.231 0.50 0.00 O ATOM 305 CB AARG A 14 -5.894 6.017 -5.769 0.50 0.00 C ATOM 306 CB BARG A 14 -4.974 6.078 -5.719 0.50 0.00 C ATOM 307 CG AARG A 14 -7.159 6.844 -5.598 0.50 0.00 C ATOM 308 CG BARG A 14 -6.216 6.761 -5.171 0.50 0.00 C ATOM 309 CD AARG A 14 -7.107 8.118 -6.429 0.50 0.00 C ATOM 310 CD BARG A 14 -6.410 8.138 -5.788 0.50 0.00 C ATOM 311 NE AARG A 14 -8.299 8.940 -6.243 0.50 0.00 N ATOM 312 NE BARG A 14 -6.510 8.076 -7.244 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.704 9.858 -7.114 0.50 0.00 C ATOM 314 CZ BARG A 14 -7.078 9.023 -7.983 0.50 0.00 C ATOM 315 NH1AARG A 14 -8.015 10.066 -8.228 0.50 0.00 N ATOM 316 NH1BARG A 14 -7.594 10.100 -7.405 0.50 0.00 N ATOM 317 NH2AARG A 14 -9.800 10.567 -6.873 0.50 0.00 N ATOM 318 NH2BARG A 14 -7.128 8.895 -9.303 0.50 0.00 N ATOM 0 H AARG A 14 -6.686 3.884 -4.276 0.50 0.00 H new ATOM 0 H BARG A 14 -5.787 3.828 -4.312 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.648 4.565 -7.160 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.656 4.637 -7.158 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.339 6.020 -4.831 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.196 6.091 -4.956 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.259 6.491 -6.517 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.598 6.651 -6.567 0.50 0.00 H new ATOM 0 HG2AARG A 14 -8.025 6.251 -5.892 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.091 6.144 -5.373 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.289 7.099 -4.546 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.134 6.854 -4.088 0.50 0.00 H new ATOM 0 HD2AARG A 14 -6.223 8.694 -6.155 0.50 0.00 H new ATOM 0 HD2BARG A 14 -7.313 8.593 -5.382 0.50 0.00 H new ATOM 0 HD3AARG A 14 -7.005 7.860 -7.483 0.50 0.00 H new ATOM 0 HD3BARG A 14 -5.575 8.781 -5.509 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.852 8.802 -5.397 0.50 0.00 H new ATOM 0 HE BARG A 14 -6.123 7.261 -7.719 0.50 0.00 H new ATOM 0 HH11AARG A 14 -7.174 9.521 -8.417 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.555 10.203 -6.391 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.327 10.771 -8.896 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.029 10.825 -7.975 0.50 0.00 H new ATOM 0 HH21AARG A 14 -10.333 10.408 -6.018 0.50 0.00 H new ATOM 0 HH21BARG A 14 -6.730 8.069 -9.751 0.50 0.00 H new ATOM 0 HH22AARG A 14 -10.109 11.271 -7.543 0.50 0.00 H new ATOM 0 HH22BARG A 14 -7.564 9.622 -9.870 0.50 0.00 H new ATOM 345 N AMET A 15 -4.058 4.149 -7.320 0.50 0.00 N ATOM 346 N BMET A 15 -3.247 3.909 -7.382 0.50 0.00 N ATOM 347 CA AMET A 15 -2.769 3.500 -7.543 0.50 0.00 C ATOM 348 CA BMET A 15 -1.970 3.231 -7.567 0.50 0.00 C ATOM 349 C AMET A 15 -1.663 4.536 -7.723 0.50 0.00 C ATOM 350 C BMET A 15 -0.903 4.203 -8.056 0.50 0.00 C ATOM 351 O AMET A 15 -1.889 5.607 -8.284 0.50 0.00 O ATOM 352 O BMET A 15 -0.984 4.719 -9.172 0.50 0.00 O ATOM 353 CB AMET A 15 -2.838 2.590 -8.769 0.50 0.00 C ATOM 354 CB BMET A 15 -2.121 2.077 -8.562 0.50 0.00 C ATOM 355 CG AMET A 15 -2.061 1.293 -8.608 0.50 0.00 C ATOM 356 CG BMET A 15 -1.284 0.860 -8.212 0.50 0.00 C ATOM 357 SD AMET A 15 -0.776 1.092 -9.856 0.50 0.00 S ATOM 358 SD BMET A 15 -2.288 -0.573 -7.774 0.50 0.00 S ATOM 359 CE AMET A 15 -0.786 -0.686 -10.070 0.50 0.00 C ATOM 360 CE BMET A 15 -2.079 -1.593 -9.230 0.50 0.00 C ATOM 0 H AMET A 15 -4.292 4.867 -8.005 0.50 0.00 H new ATOM 0 H BMET A 15 -3.590 4.396 -8.210 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.537 2.896 -6.666 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.656 2.832 -6.603 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.882 2.355 -8.979 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.170 1.785 -8.610 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.453 3.130 -9.634 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.842 2.426 -9.556 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.607 1.267 -7.617 0.50 0.00 H new ATOM 0 HG2BMET A 15 -0.647 0.607 -9.059 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.751 0.451 -8.664 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.625 1.105 -7.379 0.50 0.00 H new ATOM 0 HE1AMET A 15 -0.041 -0.967 -10.814 0.50 0.00 H new ATOM 0 HE1BMET A 15 -2.642 -2.518 -9.110 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.551 -1.168 -9.121 0.50 0.00 H new ATOM 0 HE2BMET A 15 -2.445 -1.057 -10.106 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.772 -1.007 -10.405 0.50 0.00 H new ATOM 0 HE3BMET A 15 -1.022 -1.826 -9.362 0.50 0.00 H new ATOM 379 N ASER A 16 -0.469 4.208 -7.242 0.50 0.00 N ATOM 380 N BSER A 16 0.097 4.450 -7.217 0.50 0.00 N ATOM 381 CA ASER A 16 0.671 5.110 -7.347 0.50 0.00 C ATOM 382 CA BSER A 16 1.178 5.366 -7.563 0.50 0.00 C ATOM 383 C ASER A 16 1.702 4.572 -8.335 0.50 0.00 C ATOM 384 C BSER A 16 1.786 5.002 -8.915 0.50 0.00 C ATOM 385 O ASER A 16 1.856 3.360 -8.488 0.50 0.00 O ATOM 386 O BSER A 16 1.541 3.916 -9.446 0.50 0.00 O ATOM 387 CB ASER A 16 1.319 5.309 -5.976 0.50 0.00 C ATOM 388 CB BSER A 16 2.262 5.340 -6.481 0.50 0.00 C ATOM 389 OG ASER A 16 1.045 6.605 -5.466 0.50 0.00 O ATOM 390 OG BSER A 16 2.584 6.651 -6.055 0.50 0.00 O ATOM 0 H ASER A 16 -0.266 3.324 -6.776 0.50 0.00 H new ATOM 0 H BSER A 16 0.182 4.029 -6.292 0.50 0.00 H new ATOM 0 HA ASER A 16 0.309 6.071 -7.713 0.50 0.00 H new ATOM 0 HA BSER A 16 0.763 6.372 -7.629 0.50 0.00 H new ATOM 0 HB2ASER A 16 0.948 4.555 -5.282 0.50 0.00 H new ATOM 0 HB2BSER A 16 1.918 4.751 -5.630 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.397 5.166 -6.055 0.50 0.00 H new ATOM 0 HB3BSER A 16 3.155 4.850 -6.868 0.50 0.00 H new ATOM 0 HG ASER A 16 0.100 6.664 -5.215 0.50 0.00 H new ATOM 0 HG BSER A 16 3.277 6.609 -5.363 0.50 0.00 H new ATOM 401 N AARG A 17 2.405 5.481 -9.000 0.50 0.00 N ATOM 402 N BARG A 17 2.578 5.915 -9.467 0.50 0.00 N ATOM 403 CA AARG A 17 3.420 5.100 -9.974 0.50 0.00 C ATOM 404 CA BARG A 17 3.219 5.693 -10.757 0.50 0.00 C ATOM 405 C AARG A 17 4.822 5.293 -9.404 0.50 0.00 C ATOM 406 C BARG A 17 4.733 5.589 -10.601 0.50 0.00 C ATOM 407 O AARG A 17 4.984 5.660 -8.241 0.50 0.00 O ATOM 408 O BARG A 17 5.489 6.173 -11.376 0.50 0.00 O ATOM 409 CB AARG A 17 3.262 5.918 -11.257 0.50 0.00 C ATOM 410 CB BARG A 17 2.872 6.825 -11.725 0.50 0.00 C ATOM 411 CG AARG A 17 3.515 7.404 -11.065 0.50 0.00 C ATOM 412 CG BARG A 17 3.240 6.526 -13.169 0.50 0.00 C ATOM 413 CD AARG A 17 4.210 8.013 -12.273 0.50 0.00 C ATOM 414 CD BARG A 17 3.489 7.803 -13.956 0.50 0.00 C ATOM 415 NE AARG A 17 5.491 7.366 -12.550 0.50 0.00 N ATOM 416 NE BARG A 17 4.567 8.600 -13.377 0.50 0.00 N ATOM 417 CZ AARG A 17 6.429 7.895 -13.327 0.50 0.00 C ATOM 418 CZ BARG A 17 5.856 8.353 -13.582 0.50 0.00 C ATOM 419 NH1AARG A 17 6.230 9.075 -13.901 0.50 0.00 N ATOM 420 NH1BARG A 17 6.225 7.334 -14.347 0.50 0.00 N ATOM 421 NH2AARG A 17 7.567 7.246 -13.531 0.50 0.00 N ATOM 422 NH2BARG A 17 6.778 9.123 -13.020 0.50 0.00 N ATOM 0 H AARG A 17 2.291 6.488 -8.882 0.50 0.00 H new ATOM 0 H BARG A 17 2.791 6.817 -9.040 0.50 0.00 H new ATOM 0 HA AARG A 17 3.284 4.044 -10.207 0.50 0.00 H new ATOM 0 HA BARG A 17 2.847 4.752 -11.162 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.951 5.535 -12.010 0.50 0.00 H new ATOM 0 HB2BARG A 17 1.803 7.027 -11.666 0.50 0.00 H new ATOM 0 HB3AARG A 17 2.254 5.777 -11.646 0.50 0.00 H new ATOM 0 HB3BARG A 17 3.386 7.733 -11.408 0.50 0.00 H new ATOM 0 HG2AARG A 17 2.568 7.916 -10.893 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.132 5.901 -13.196 0.50 0.00 H new ATOM 0 HG3AARG A 17 4.127 7.558 -10.176 0.50 0.00 H new ATOM 0 HG3BARG A 17 2.438 5.958 -13.640 0.50 0.00 H new ATOM 0 HD2AARG A 17 3.563 7.926 -13.146 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.738 7.551 -14.987 0.50 0.00 H new ATOM 0 HD3AARG A 17 4.371 9.077 -12.101 0.50 0.00 H new ATOM 0 HD3BARG A 17 2.575 8.396 -13.984 0.50 0.00 H new ATOM 0 HE AARG A 17 5.675 6.458 -12.123 0.50 0.00 H new ATOM 0 HE BARG A 17 4.316 9.390 -12.782 0.50 0.00 H new ATOM 0 HH11AARG A 17 5.356 9.577 -13.746 0.50 0.00 H new ATOM 0 HH11BARG A 17 5.518 6.739 -14.779 0.50 0.00 H new ATOM 0 HH12AARG A 17 6.951 9.480 -14.498 0.50 0.00 H new ATOM 0 HH12BARG A 17 7.215 7.146 -14.503 0.50 0.00 H new ATOM 0 HH21AARG A 17 7.723 6.339 -13.091 0.50 0.00 H new ATOM 0 HH21BARG A 17 6.498 9.906 -12.429 0.50 0.00 H new ATOM 0 HH22AARG A 17 8.287 7.654 -14.128 0.50 0.00 H new ATOM 0 HH22BARG A 17 7.767 8.932 -13.178 0.50 0.00 H new ATOM 449 N AASN A 18 5.832 5.046 -10.231 0.50 0.00 N ATOM 450 N BASN A 18 5.169 4.839 -9.592 0.50 0.00 N ATOM 451 CA AASN A 18 7.220 5.193 -9.809 0.50 0.00 C ATOM 452 CA BASN A 18 6.593 4.661 -9.334 0.50 0.00 C ATOM 453 C AASN A 18 7.467 4.464 -8.492 0.50 0.00 C ATOM 454 C BASN A 18 6.869 3.282 -8.741 0.50 0.00 C ATOM 455 O AASN A 18 8.301 4.881 -7.687 0.50 0.00 O ATOM 456 O BASN A 18 7.831 2.613 -9.118 0.50 0.00 O ATOM 457 CB AASN A 18 7.574 6.674 -9.659 0.50 0.00 C ATOM 458 CB BASN A 18 7.101 5.747 -8.385 0.50 0.00 C ATOM 459 CG AASN A 18 9.065 6.895 -9.480 0.50 0.00 C ATOM 460 CG BASN A 18 7.905 6.814 -9.104 0.50 0.00 C ATOM 461 OD1AASN A 18 9.860 5.961 -9.582 0.50 0.00 O ATOM 462 OD1BASN A 18 8.780 6.506 -9.913 0.50 0.00 O ATOM 463 ND2AASN A 18 9.449 8.137 -9.210 0.50 0.00 N ATOM 464 ND2BASN A 18 7.611 8.075 -8.810 0.50 0.00 N ATOM 0 H AASN A 18 5.715 4.743 -11.198 0.50 0.00 H new ATOM 0 H BASN A 18 4.557 4.346 -8.942 0.50 0.00 H new ATOM 0 HA AASN A 18 7.856 4.750 -10.575 0.50 0.00 H new ATOM 0 HA BASN A 18 7.122 4.742 -10.284 0.50 0.00 H new ATOM 0 HB2AASN A 18 7.231 7.218 -10.539 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.253 6.212 -7.882 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.042 7.087 -8.802 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.719 5.290 -7.612 0.50 0.00 H new ATOM 0 HD21AASN A 18 10.438 8.348 -9.078 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.119 8.836 -9.262 0.50 0.00 H new ATOM 0 HD22AASN A 18 8.755 8.880 -9.135 0.50 0.00 H new ATOM 0 HD22BASN A 18 6.877 8.283 -8.133 0.50 0.00 H new ATOM 477 N ASER A 19 6.737 3.372 -8.279 0.50 0.00 N ATOM 478 N BSER A 19 6.017 2.862 -7.811 0.50 0.00 N ATOM 479 CA ASER A 19 6.875 2.587 -7.059 0.50 0.00 C ATOM 480 CA BSER A 19 6.169 1.566 -7.162 0.50 0.00 C ATOM 481 C ASER A 19 5.969 1.360 -7.097 0.50 0.00 C ATOM 482 C BSER A 19 4.821 0.866 -7.022 0.50 0.00 C ATOM 483 O ASER A 19 6.323 0.297 -6.587 0.50 0.00 O ATOM 484 O BSER A 19 4.664 -0.046 -6.212 0.50 0.00 O ATOM 485 CB ASER A 19 6.544 3.443 -5.835 0.50 0.00 C ATOM 486 CB BSER A 19 6.817 1.732 -5.788 0.50 0.00 C ATOM 487 OG ASER A 19 5.209 3.917 -5.893 0.50 0.00 O ATOM 488 OG BSER A 19 8.111 1.154 -5.760 0.50 0.00 O ATOM 0 H ASER A 19 6.045 3.012 -8.936 0.50 0.00 H new ATOM 0 H BSER A 19 5.213 3.402 -7.490 0.50 0.00 H new ATOM 0 HA ASER A 19 7.909 2.251 -6.988 0.50 0.00 H new ATOM 0 HA BSER A 19 6.815 0.949 -7.787 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.686 2.857 -4.927 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.883 2.791 -5.539 0.50 0.00 H new ATOM 0 HB3ASER A 19 7.231 4.287 -5.780 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.190 1.265 -5.028 0.50 0.00 H new ATOM 0 HG ASER A 19 5.104 4.505 -6.670 0.50 0.00 H new ATOM 0 HG BSER A 19 8.504 1.275 -4.871 0.50 0.00 H new ATOM 499 N AGLY A 20 4.797 1.517 -7.706 0.50 0.00 N ATOM 500 N BGLY A 20 3.849 1.302 -7.818 0.50 0.00 N ATOM 501 CA AGLY A 20 3.858 0.416 -7.800 0.50 0.00 C ATOM 502 CA BGLY A 20 2.525 0.708 -7.766 0.50 0.00 C ATOM 503 C AGLY A 20 3.283 0.027 -6.453 0.50 0.00 C ATOM 504 C BGLY A 20 2.001 0.581 -6.350 0.50 0.00 C ATOM 505 O AGLY A 20 3.204 -1.156 -6.124 0.50 0.00 O ATOM 506 O BGLY A 20 1.244 -0.340 -6.041 0.50 0.00 O ATOM 0 H AGLY A 20 4.482 2.387 -8.135 0.50 0.00 H new ATOM 0 H BGLY A 20 3.954 2.055 -8.498 0.50 0.00 H new ATOM 0 HA2AGLY A 20 3.046 0.692 -8.472 0.50 0.00 H new ATOM 0 HA2BGLY A 20 1.835 1.315 -8.352 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.357 -0.447 -8.241 0.50 0.00 H new ATOM 0 HA3BGLY A 20 2.554 -0.278 -8.229 0.50 0.00 H new ATOM 513 N AARG A 21 2.881 1.027 -5.672 0.50 0.00 N ATOM 514 N BARG A 21 2.407 1.506 -5.485 0.50 0.00 N ATOM 515 CA AARG A 21 2.315 0.783 -4.353 0.50 0.00 C ATOM 516 CA BARG A 21 1.976 1.490 -4.093 0.50 0.00 C ATOM 517 C AARG A 21 0.849 1.207 -4.304 0.50 0.00 C ATOM 518 C BARG A 21 0.478 1.762 -3.984 0.50 0.00 C ATOM 519 O AARG A 21 0.473 2.244 -4.851 0.50 0.00 O ATOM 520 O BARG A 21 0.048 2.914 -3.947 0.50 0.00 O ATOM 521 CB AARG A 21 3.109 1.536 -3.284 0.50 0.00 C ATOM 522 CB BARG A 21 2.755 2.529 -3.284 0.50 0.00 C ATOM 523 CG AARG A 21 4.032 0.644 -2.470 0.50 0.00 C ATOM 524 CG BARG A 21 3.794 1.926 -2.355 0.50 0.00 C ATOM 525 CD AARG A 21 5.353 1.335 -2.169 0.50 0.00 C ATOM 526 CD BARG A 21 5.158 2.572 -2.550 0.50 0.00 C ATOM 527 NE AARG A 21 5.188 2.455 -1.247 0.50 0.00 N ATOM 528 NE BARG A 21 5.111 4.018 -2.354 0.50 0.00 N ATOM 529 CZ AARG A 21 5.125 3.724 -1.636 0.50 0.00 C ATOM 530 CZ BARG A 21 5.140 4.894 -3.352 0.50 0.00 C ATOM 531 NH1AARG A 21 5.213 4.031 -2.922 0.50 0.00 N ATOM 532 NH1BARG A 21 5.213 4.475 -4.608 0.50 0.00 N ATOM 533 NH2AARG A 21 4.972 4.687 -0.736 0.50 0.00 N ATOM 534 NH2BARG A 21 5.094 6.196 -3.093 0.50 0.00 N ATOM 0 H AARG A 21 2.938 2.012 -5.932 0.50 0.00 H new ATOM 0 H BARG A 21 3.033 2.275 -5.724 0.50 0.00 H new ATOM 0 HA AARG A 21 2.375 -0.287 -4.153 0.50 0.00 H new ATOM 0 HA BARG A 21 2.178 0.498 -3.688 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.701 2.315 -3.764 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.250 3.215 -3.971 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.412 2.035 -2.610 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.053 3.119 -2.695 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.543 0.369 -1.535 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.475 2.052 -1.320 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.220 -0.281 -3.015 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.868 0.854 -2.538 0.50 0.00 H new ATOM 0 HD2AARG A 21 6.050 0.614 -1.742 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.870 2.134 -1.850 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.795 1.693 -3.099 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.522 2.354 -3.554 0.50 0.00 H new ATOM 0 HE AARG A 21 5.117 2.252 -0.250 0.50 0.00 H new ATOM 0 HE BARG A 21 5.053 4.374 -1.400 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.329 3.292 -3.616 0.50 0.00 H new ATOM 0 HH11BARG A 21 5.247 3.476 -4.811 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.164 5.006 -3.218 0.50 0.00 H new ATOM 0 HH12BARG A 21 5.235 5.152 -5.371 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.903 4.453 0.254 0.50 0.00 H new ATOM 0 HH21BARG A 21 5.036 6.522 -2.128 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.924 5.661 -1.035 0.50 0.00 H new ATOM 0 HH22BARG A 21 5.116 6.869 -3.859 0.50 0.00 H new ATOM 561 N AVAL A 22 0.026 0.398 -3.644 0.50 0.00 N ATOM 562 N BVAL A 22 -0.309 0.693 -3.933 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.398 0.689 -3.523 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.759 0.817 -3.829 0.50 0.00 C ATOM 565 C AVAL A 22 -1.680 1.551 -2.298 0.50 0.00 C ATOM 566 C BVAL A 22 -2.178 1.179 -2.409 0.50 0.00 C ATOM 567 O AVAL A 22 -1.113 1.331 -1.229 0.50 0.00 O ATOM 568 O BVAL A 22 -1.585 0.711 -1.437 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.229 -0.603 -3.432 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.464 -0.489 -4.244 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.708 -0.279 -3.276 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.532 -1.456 -3.071 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.993 -1.476 -4.655 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.855 -0.193 -4.783 0.50 0.00 C ATOM 0 H AVAL A 22 0.321 -0.464 -3.185 0.50 0.00 H new ATOM 0 H BVAL A 22 0.032 -0.268 -3.962 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.687 1.234 -4.421 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.059 1.615 -4.508 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.908 -1.158 -2.550 0.50 0.00 H new ATOM 0 HB BVAL A 22 -1.883 -0.960 -5.037 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.279 -1.205 -3.213 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.033 -2.372 -3.383 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.859 0.302 -2.367 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.522 -1.691 -2.734 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.047 0.298 -4.136 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.089 -0.998 -2.254 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.589 -2.385 -4.573 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.339 -1.126 -5.072 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.284 -0.931 -5.553 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.447 0.300 -4.012 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.937 -1.738 -4.716 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -3.777 0.460 -5.653 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.561 2.531 -2.460 0.50 0.00 N ATOM 594 N BTYR A 23 -3.205 2.014 -2.297 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.918 3.428 -1.369 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.704 2.440 -0.995 0.50 0.00 C ATOM 597 C ATYR A 23 -4.384 3.838 -1.458 0.50 0.00 C ATOM 598 C BTYR A 23 -5.164 2.872 -1.086 0.50 0.00 C ATOM 599 O ATYR A 23 -4.868 4.230 -2.521 0.50 0.00 O ATOM 600 O BTYR A 23 -5.754 2.885 -2.167 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.027 4.671 -1.388 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.853 3.591 -0.452 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.315 5.604 -2.543 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.864 4.820 -1.333 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.189 6.673 -2.394 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.802 5.828 -1.142 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.712 5.417 -3.781 0.50 0.00 C ATOM 608 CD2BTYR A 23 -1.938 4.973 -2.357 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.457 7.527 -3.448 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.816 6.952 -1.945 0.50 0.00 C ATOM 611 CE2ATYR A 23 -1.973 6.266 -4.838 0.50 0.00 C ATOM 612 CE2BTYR A 23 -1.944 6.094 -3.164 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.846 7.321 -4.667 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.885 7.081 -2.954 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.108 8.170 -5.718 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.894 8.198 -3.757 0.50 0.00 O ATOM 0 H ATYR A 23 -3.042 2.724 -3.338 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.708 2.409 -3.092 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.765 2.895 -0.431 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.637 1.593 -0.313 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.156 5.214 -0.452 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.214 3.862 0.540 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -0.984 4.359 -1.435 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.825 3.248 -0.334 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.667 6.840 -1.440 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -4.532 5.731 -0.352 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -1.027 4.593 -3.919 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.201 4.202 -2.525 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -4.142 8.352 -3.317 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.552 7.726 -1.783 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.496 6.105 -5.794 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.216 6.197 -3.955 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.596 7.885 -6.504 0.50 0.00 H new ATOM 0 HH BTYR A 23 -2.172 8.132 -4.417 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.086 3.747 -0.334 0.50 0.00 N ATOM 636 N BTYR A 24 -5.742 3.223 0.059 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.498 4.108 -0.283 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.135 3.654 0.110 0.50 0.00 C ATOM 639 C ATYR A 24 -6.685 5.496 0.319 0.50 0.00 C ATOM 640 C BTYR A 24 -7.255 5.035 0.747 0.50 0.00 C ATOM 641 O ATYR A 24 -5.904 5.930 1.165 0.50 0.00 O ATOM 642 O BTYR A 24 -6.807 5.254 1.872 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.282 3.077 0.532 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.973 2.643 0.893 0.50 0.00 C ATOM 645 CG ATYR A 24 -6.941 1.645 0.184 0.50 0.00 C ATOM 646 CG BTYR A 24 -8.070 1.290 0.226 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.146 1.153 -1.099 0.50 0.00 C ATOM 648 CD1BTYR A 24 -9.100 1.002 -0.660 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.416 0.783 1.138 0.50 0.00 C ATOM 650 CD2BTYR A 24 -7.131 0.297 0.483 0.50 0.00 C ATOM 651 CE1ATYR A 24 -6.837 -0.153 -1.422 0.50 0.00 C ATOM 652 CE1BTYR A 24 -9.191 -0.234 -1.271 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.104 -0.525 0.826 0.50 0.00 C ATOM 654 CE2BTYR A 24 -7.213 -0.941 -0.123 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.316 -0.989 -0.456 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.247 -1.202 -1.000 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.007 -2.291 -0.772 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.334 -2.432 -1.606 0.50 0.00 O ATOM 0 H ATYR A 24 -4.700 3.426 0.554 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.268 3.217 0.962 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.879 4.120 -1.304 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.510 3.713 -0.912 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.088 3.241 1.592 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.542 2.519 1.886 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.349 3.236 0.374 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.977 3.044 1.029 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.555 1.804 -1.858 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.842 1.757 -0.875 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.249 1.143 2.143 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -6.322 0.498 1.170 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.002 -0.518 -2.425 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.998 -0.441 -1.958 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -5.696 -1.181 1.581 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.474 -1.700 0.087 0.50 0.00 H new ATOM 0 HH ATYR A 24 -5.649 -2.744 0.020 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.591 -2.997 -1.308 0.50 0.00 H new ATOM 677 N APHE A 25 -7.728 6.191 -0.126 0.50 0.00 N ATOM 678 N BPHE A 25 -7.864 5.965 0.018 0.50 0.00 N ATOM 679 CA APHE A 25 -8.018 7.532 0.368 0.50 0.00 C ATOM 680 CA BPHE A 25 -8.044 7.326 0.510 0.50 0.00 C ATOM 681 C APHE A 25 -9.517 7.722 0.576 0.50 0.00 C ATOM 682 C BPHE A 25 -9.521 7.708 0.523 0.50 0.00 C ATOM 683 O APHE A 25 -10.311 7.546 -0.350 0.50 0.00 O ATOM 684 O BPHE A 25 -10.231 7.519 -0.462 0.50 0.00 O ATOM 685 CB APHE A 25 -7.491 8.584 -0.610 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.257 8.311 -0.355 0.50 0.00 C ATOM 687 CG APHE A 25 -6.885 9.780 0.068 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.444 9.746 0.050 0.50 0.00 C ATOM 689 CD1APHE A 25 -7.652 10.901 0.343 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.398 10.537 -0.573 0.50 0.00 C ATOM 691 CD2APHE A 25 -5.546 9.784 0.425 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.667 10.303 1.051 0.50 0.00 C ATOM 693 CE1APHE A 25 -7.096 12.003 0.965 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.573 11.857 -0.201 0.50 0.00 C ATOM 695 CE2APHE A 25 -4.984 10.883 1.048 0.50 0.00 C ATOM 696 CE2BPHE A 25 -6.839 11.623 1.427 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.761 11.993 1.318 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.790 12.400 0.798 0.50 0.00 C ATOM 0 H APHE A 25 -8.385 5.848 -0.827 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.241 5.801 -0.915 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.517 7.655 1.328 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.667 7.370 1.532 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.743 8.125 -1.257 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.197 8.062 -0.303 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.308 8.915 -1.251 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.561 8.193 -1.395 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.696 10.914 0.068 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -9.011 10.117 -1.357 0.50 0.00 H new ATOM 0 HD2APHE A 25 -4.935 8.919 0.214 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -5.918 9.700 1.544 0.50 0.00 H new ATOM 0 HE1APHE A 25 -7.705 12.870 1.175 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -9.321 12.462 -0.691 0.50 0.00 H new ATOM 0 HE2APHE A 25 -3.940 10.874 1.323 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.229 12.045 2.212 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.324 12.853 1.805 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -7.922 13.432 1.087 0.50 0.00 H new ATOM 717 N AASN A 26 -9.901 8.081 1.798 0.50 0.00 N ATOM 718 N BASN A 26 -9.976 8.247 1.650 0.50 0.00 N ATOM 719 CA AASN A 26 -11.304 8.294 2.129 0.50 0.00 C ATOM 720 CA BASN A 26 -11.369 8.656 1.794 0.50 0.00 C ATOM 721 C AASN A 26 -11.707 9.746 1.890 0.50 0.00 C ATOM 722 C BASN A 26 -11.469 10.143 2.113 0.50 0.00 C ATOM 723 O AASN A 26 -11.108 10.667 2.449 0.50 0.00 O ATOM 724 O BASN A 26 -10.851 10.630 3.061 0.50 0.00 O ATOM 725 CB AASN A 26 -11.570 7.912 3.586 0.50 0.00 C ATOM 726 CB BASN A 26 -12.051 7.839 2.894 0.50 0.00 C ATOM 727 CG AASN A 26 -13.048 7.759 3.884 0.50 0.00 C ATOM 728 CG BASN A 26 -13.524 8.170 3.031 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.564 8.336 4.841 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.055 9.004 2.296 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.741 6.979 3.061 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.192 7.518 3.974 0.50 0.00 N ATOM 0 H AASN A 26 -9.258 8.230 2.575 0.50 0.00 H new ATOM 0 H BASN A 26 -9.401 8.411 2.476 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.904 7.658 1.478 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.876 8.472 0.847 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.058 6.977 3.813 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.939 6.777 2.676 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.147 8.674 4.241 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.550 8.024 3.844 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.740 6.840 3.211 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.186 7.699 4.113 0.50 0.00 H new ATOM 0 HD22AASN A 26 -13.274 6.519 2.280 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.711 6.835 4.560 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.723 9.943 1.056 0.50 0.00 N ATOM 746 N BHIS A 27 -12.251 10.864 1.316 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.205 11.284 0.744 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.434 12.297 1.514 0.50 0.00 C ATOM 749 C AHIS A 27 -14.149 11.788 1.831 0.50 0.00 C ATOM 750 C BHIS A 27 -13.270 12.571 2.761 0.50 0.00 C ATOM 751 O AHIS A 27 -14.578 12.944 1.807 0.50 0.00 O ATOM 752 O BHIS A 27 -13.310 13.697 3.258 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.916 11.292 -0.609 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.105 12.920 0.290 0.50 0.00 C ATOM 755 CG AHIS A 27 -15.337 10.824 -0.541 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.322 12.180 -0.171 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.368 11.614 -0.076 0.50 0.00 N ATOM 758 ND1BHIS A 27 -15.405 11.929 0.646 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.897 9.642 -0.885 0.50 0.00 C ATOM 760 CD2BHIS A 27 -14.626 11.634 -1.371 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.500 10.936 -0.134 0.50 0.00 C ATOM 762 CE1BHIS A 27 -16.320 11.260 -0.030 0.50 0.00 C ATOM 763 NE2AHIS A 27 -17.242 9.736 -0.623 0.50 0.00 N ATOM 764 NE2BHIS A 27 -15.872 11.067 -1.260 0.50 0.00 N ATOM 0 H AHIS A 27 -13.228 9.192 0.585 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.769 10.479 0.526 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.344 11.951 0.697 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.451 12.748 1.650 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.894 12.303 -1.016 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.382 13.948 0.523 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.366 10.657 -1.303 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.384 12.961 -0.527 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -16.271 12.572 0.260 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -15.382 8.784 -1.290 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -14.004 11.642 -2.254 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.471 11.300 0.167 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -17.272 10.927 0.355 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -16.370 10.578 -2.003 0.50 0.00 H new ATOM 779 N AILE A 28 -14.470 10.917 2.781 0.50 0.00 N ATOM 780 N BILE A 28 -13.935 11.535 3.261 0.50 0.00 N ATOM 781 CA AILE A 28 -15.363 11.274 3.877 0.50 0.00 C ATOM 782 CA BILE A 28 -14.768 11.665 4.450 0.50 0.00 C ATOM 783 C AILE A 28 -14.576 11.724 5.103 0.50 0.00 C ATOM 784 C BILE A 28 -13.925 11.612 5.720 0.50 0.00 C ATOM 785 O AILE A 28 -14.924 12.713 5.749 0.50 0.00 O ATOM 786 O BILE A 28 -14.175 12.348 6.675 0.50 0.00 O ATOM 787 CB AILE A 28 -16.274 10.094 4.268 0.50 0.00 C ATOM 788 CB BILE A 28 -15.839 10.560 4.511 0.50 0.00 C ATOM 789 CG1AILE A 28 -17.119 9.655 3.072 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.771 10.657 3.302 0.50 0.00 C ATOM 791 CG2AILE A 28 -17.164 10.480 5.440 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.628 10.657 5.807 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.304 8.797 3.451 0.50 0.00 C ATOM 794 CD1BILE A 28 -17.995 9.773 3.410 0.50 0.00 C ATOM 0 H AILE A 28 -14.125 9.958 2.814 0.50 0.00 H new ATOM 0 H BILE A 28 -13.913 10.597 2.861 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.982 12.099 3.524 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.262 12.634 4.385 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.648 9.255 4.572 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.342 9.590 4.485 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.476 10.540 2.545 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.090 11.692 3.181 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.489 9.102 2.376 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.216 10.388 2.403 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.802 9.637 5.705 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.381 9.869 5.835 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.544 10.749 6.295 0.50 0.00 H new ATOM 0 HG22BILE A 28 -15.952 10.542 6.654 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.785 11.331 5.160 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.118 11.629 5.863 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.857 8.523 2.553 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.610 9.893 2.518 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.954 7.894 3.951 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.685 8.732 3.500 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.957 9.354 4.123 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.572 10.057 4.290 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.513 10.991 5.417 0.50 0.00 N ATOM 818 N BTHR A 29 -12.924 10.737 5.725 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.676 11.315 6.567 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.045 10.589 6.875 0.50 0.00 C ATOM 821 C ATHR A 29 -11.326 11.867 6.125 0.50 0.00 C ATOM 822 C BTHR A 29 -10.868 11.555 6.798 0.50 0.00 C ATOM 823 O ATHR A 29 -10.457 12.145 6.952 0.50 0.00 O ATOM 824 O BTHR A 29 -10.293 11.930 7.818 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.447 10.081 7.459 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.504 9.150 6.987 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.719 9.081 6.739 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.771 8.808 5.805 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.771 9.505 7.938 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.640 8.159 7.188 0.50 0.00 C ATOM 0 H ATHR A 29 -13.211 10.170 4.892 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.703 10.120 4.943 0.50 0.00 H new ATOM 0 HA ATHR A 29 -13.206 12.075 7.141 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.642 10.817 7.758 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.869 10.394 8.329 0.50 0.00 H new ATOM 0 HB BTHR A 29 -10.842 9.101 7.852 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -12.300 8.680 6.059 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.635 7.838 5.774 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.583 8.634 8.566 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.234 7.150 7.264 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.309 10.258 8.514 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.178 8.404 8.104 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.371 9.209 7.078 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.323 8.212 6.340 0.50 0.00 H new ATOM 845 N AASN A 30 -11.155 12.022 4.816 0.50 0.00 N ATOM 846 N BASN A 30 -10.517 11.956 5.580 0.50 0.00 N ATOM 847 CA AASN A 30 -9.908 12.541 4.265 0.50 0.00 C ATOM 848 CA BASN A 30 -9.410 12.882 5.370 0.50 0.00 C ATOM 849 C AASN A 30 -8.704 11.837 4.884 0.50 0.00 C ATOM 850 C BASN A 30 -8.083 12.236 5.753 0.50 0.00 C ATOM 851 O AASN A 30 -7.619 12.409 4.977 0.50 0.00 O ATOM 852 O BASN A 30 -7.200 12.889 6.309 0.50 0.00 O ATOM 853 CB AASN A 30 -9.809 14.049 4.503 0.50 0.00 C ATOM 854 CB BASN A 30 -9.624 14.159 6.185 0.50 0.00 C ATOM 855 CG AASN A 30 -11.171 14.707 4.614 0.50 0.00 C ATOM 856 CG BASN A 30 -9.304 15.411 5.391 0.50 0.00 C ATOM 857 OD1AASN A 30 -11.464 15.391 5.598 0.50 0.00 O ATOM 858 OD1BASN A 30 -10.055 16.386 5.424 0.50 0.00 O ATOM 859 ND2AASN A 30 -12.012 14.503 3.608 0.50 0.00 N ATOM 860 ND2BASN A 30 -8.188 15.388 4.673 0.50 0.00 N ATOM 0 H AASN A 30 -11.863 11.796 4.118 0.50 0.00 H new ATOM 0 H BASN A 30 -10.983 11.654 4.724 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.907 12.348 3.192 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.377 13.138 4.311 0.50 0.00 H new ATOM 0 HB2AASN A 30 -9.244 14.234 5.416 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.659 14.201 6.524 0.50 0.00 H new ATOM 0 HB3AASN A 30 -9.252 14.507 3.686 0.50 0.00 H new ATOM 0 HB3BASN A 30 -8.998 14.127 7.077 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.943 14.919 3.629 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.922 16.201 4.118 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.727 13.930 2.814 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.596 14.557 4.676 0.50 0.00 H new ATOM 873 N AALA A 31 -8.906 10.593 5.307 0.50 0.00 N ATOM 874 N BALA A 31 -7.947 10.949 5.451 0.50 0.00 N ATOM 875 CA AALA A 31 -7.838 9.811 5.915 0.50 0.00 C ATOM 876 CA BALA A 31 -6.726 10.215 5.762 0.50 0.00 C ATOM 877 C AALA A 31 -7.150 8.925 4.883 0.50 0.00 C ATOM 878 C BALA A 31 -6.565 9.005 4.847 0.50 0.00 C ATOM 879 O AALA A 31 -7.752 8.543 3.879 0.50 0.00 O ATOM 880 O BALA A 31 -7.548 8.379 4.450 0.50 0.00 O ATOM 881 CB AALA A 31 -8.385 8.968 7.058 0.50 0.00 C ATOM 882 CB BALA A 31 -6.727 9.781 7.218 0.50 0.00 C ATOM 0 H AALA A 31 -9.800 10.106 5.239 0.50 0.00 H new ATOM 0 H BALA A 31 -8.668 10.393 4.991 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.096 10.503 6.312 0.50 0.00 H new ATOM 0 HA BALA A 31 -5.879 10.880 5.594 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.576 8.389 7.503 0.50 0.00 H new ATOM 0 HB1BALA A 31 -5.809 9.234 7.435 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.823 9.620 7.814 0.50 0.00 H new ATOM 0 HB2BALA A 31 -6.786 10.660 7.860 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.149 8.290 6.677 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.586 9.137 7.405 0.50 0.00 H new ATOM 893 N ASER A 32 -5.886 8.600 5.135 0.50 0.00 N ATOM 894 N BSER A 32 -5.319 8.682 4.515 0.50 0.00 N ATOM 895 CA ASER A 32 -5.116 7.761 4.225 0.50 0.00 C ATOM 896 CA BSER A 32 -5.031 7.549 3.643 0.50 0.00 C ATOM 897 C ASER A 32 -4.482 6.590 4.970 0.50 0.00 C ATOM 898 C BSER A 32 -4.624 6.326 4.459 0.50 0.00 C ATOM 899 O ASER A 32 -3.811 6.776 5.984 0.50 0.00 O ATOM 900 O BSER A 32 -4.329 6.431 5.648 0.50 0.00 O ATOM 901 CB ASER A 32 -4.030 8.588 3.532 0.50 0.00 C ATOM 902 CB BSER A 32 -3.920 7.910 2.653 0.50 0.00 C ATOM 903 OG ASER A 32 -2.818 7.862 3.440 0.50 0.00 O ATOM 904 OG BSER A 32 -3.068 8.908 3.187 0.50 0.00 O ATOM 0 H ASER A 32 -5.373 8.905 5.962 0.50 0.00 H new ATOM 0 H BSER A 32 -4.494 9.188 4.836 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.797 7.364 3.472 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.938 7.308 3.088 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.365 8.871 2.534 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.338 7.020 2.414 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.863 9.512 4.086 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.360 8.263 1.720 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.141 8.411 2.992 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.366 9.120 2.537 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.699 5.383 4.458 0.50 0.00 N ATOM 916 N BGLN A 33 -4.612 5.166 3.808 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.150 4.182 5.074 0.50 0.00 C ATOM 918 CA BGLN A 33 -4.241 3.923 4.473 0.50 0.00 C ATOM 919 C AGLN A 33 -3.431 3.319 4.040 0.50 0.00 C ATOM 920 C BGLN A 33 -4.004 2.812 3.456 0.50 0.00 C ATOM 921 O AGLN A 33 -3.395 3.652 2.856 0.50 0.00 O ATOM 922 O BGLN A 33 -4.830 2.579 2.572 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.261 3.374 5.746 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.332 3.504 5.459 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.017 3.116 7.223 0.50 0.00 C ATOM 926 CG BGLN A 33 -5.047 2.182 6.156 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.273 3.273 8.060 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.963 1.937 7.339 0.50 0.00 C ATOM 929 OE1AGLN A 33 -6.253 3.901 9.118 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.795 2.532 8.404 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.374 2.702 7.585 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.941 1.057 7.159 0.50 0.00 N ATOM 0 H AGLN A 33 -5.251 5.211 3.618 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.855 5.062 2.823 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.427 4.490 5.829 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.313 4.094 5.019 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.206 3.905 5.630 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -5.449 4.284 6.211 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.366 2.419 5.231 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -6.281 3.428 4.928 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -4.623 2.108 7.351 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -5.158 1.367 5.441 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -4.254 3.805 7.587 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -4.011 2.170 6.495 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.344 2.191 6.703 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -7.044 0.586 6.260 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.250 2.775 8.102 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.589 0.852 7.920 0.50 0.00 H new ATOM 949 N APHE A 34 -2.862 2.208 4.498 0.50 0.00 N ATOM 950 N BPHE A 34 -2.872 2.128 3.587 0.50 0.00 N ATOM 951 CA APHE A 34 -2.145 1.299 3.613 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.527 1.042 2.676 0.50 0.00 C ATOM 953 C APHE A 34 -2.611 -0.140 3.818 0.50 0.00 C ATOM 954 C BPHE A 34 -3.432 -0.167 2.903 0.50 0.00 C ATOM 955 O APHE A 34 -1.844 -1.085 3.627 0.50 0.00 O ATOM 956 O BPHE A 34 -3.801 -0.862 1.958 0.50 0.00 O ATOM 957 CB APHE A 34 -0.637 1.398 3.859 0.50 0.00 C ATOM 958 CB BPHE A 34 -1.062 0.638 2.865 0.50 0.00 C ATOM 959 CG APHE A 34 0.137 1.862 2.657 0.50 0.00 C ATOM 960 CG BPHE A 34 -0.094 1.758 2.613 0.50 0.00 C ATOM 961 CD1APHE A 34 0.469 0.974 1.646 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.043 2.300 1.345 0.50 0.00 C ATOM 963 CD2APHE A 34 0.532 3.185 2.540 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.677 2.268 3.644 0.50 0.00 C ATOM 965 CE1APHE A 34 1.180 1.398 0.540 0.50 0.00 C ATOM 966 CE1BPHE A 34 0.932 3.332 1.111 0.50 0.00 C ATOM 967 CE2APHE A 34 1.243 3.614 1.435 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.568 3.300 3.416 0.50 0.00 C ATOM 969 CZ APHE A 34 1.569 2.719 0.435 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.696 3.832 2.147 0.50 0.00 C ATOM 0 H APHE A 34 -2.884 1.917 5.475 0.50 0.00 H new ATOM 0 H BPHE A 34 -2.179 2.306 4.314 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.359 1.589 2.584 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.672 1.396 1.655 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.456 2.085 4.685 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.923 0.270 3.882 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.262 0.422 4.168 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.832 -0.189 2.193 0.50 0.00 H new ATOM 0 HD1APHE A 34 0.169 -0.060 1.724 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.551 1.912 0.531 0.50 0.00 H new ATOM 0 HD2APHE A 34 0.282 3.888 3.320 0.50 0.00 H new ATOM 0 HD2BPHE A 34 0.581 1.855 4.637 0.50 0.00 H new ATOM 0 HE1APHE A 34 1.431 0.697 -0.242 0.50 0.00 H new ATOM 0 HE1BPHE A 34 1.029 3.747 0.119 0.50 0.00 H new ATOM 0 HE2APHE A 34 1.543 4.648 1.354 0.50 0.00 H new ATOM 0 HE2BPHE A 34 2.163 3.690 4.228 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.127 3.052 -0.428 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.392 4.637 1.966 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.870 -0.298 4.210 0.50 0.00 N ATOM 990 N BGLU A 35 -3.784 -0.408 4.162 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.438 -1.620 4.443 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.644 -1.531 4.513 0.50 0.00 C ATOM 993 C AGLU A 35 -5.927 -1.640 4.107 0.50 0.00 C ATOM 994 C BGLU A 35 -6.108 -1.204 4.232 0.50 0.00 C ATOM 995 O AGLU A 35 -6.582 -0.599 4.083 0.50 0.00 O ATOM 996 O BGLU A 35 -6.503 -0.039 4.226 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.228 -2.039 5.900 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.466 -1.898 5.987 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.136 -1.256 6.607 0.50 0.00 C ATOM 1000 CG BGLU A 35 -3.038 -2.271 6.353 0.50 0.00 C ATOM 1001 CD AGLU A 35 -2.951 -1.685 8.050 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.145 -1.059 6.527 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -2.892 -0.801 8.930 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -2.508 -0.164 7.319 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -2.867 -2.906 8.301 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -1.084 -1.003 5.871 0.50 0.00 O ATOM 0 H AGLU A 35 -4.517 0.474 4.373 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.487 0.160 4.956 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.926 -2.327 3.790 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.355 -2.383 3.897 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -5.164 -1.913 6.444 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.782 -1.056 6.603 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -3.981 -3.100 5.932 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -5.124 -2.733 6.227 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.196 -1.385 6.070 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -3.043 -2.850 7.277 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -3.378 -0.194 6.576 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.624 -2.914 5.576 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.453 -2.833 3.846 0.50 0.00 N ATOM 1020 N BARG A 36 -6.905 -2.241 3.999 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.862 -2.990 3.508 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.325 -2.064 3.715 0.50 0.00 C ATOM 1023 C AARG A 36 -8.749 -2.294 4.538 0.50 0.00 C ATOM 1024 C BARG A 36 -9.126 -1.947 5.008 0.50 0.00 C ATOM 1025 O AARG A 36 -8.881 -2.736 5.679 0.50 0.00 O ATOM 1026 O BARG A 36 -9.246 -2.895 5.784 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.226 -4.472 3.425 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.849 -3.236 2.883 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.605 -4.730 2.841 0.50 0.00 C ATOM 1030 CG BARG A 36 -10.249 -3.014 2.334 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.586 -4.679 1.322 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.974 -4.330 2.104 0.50 0.00 C ATOM 1033 NE AARG A 36 -10.634 -5.507 0.733 0.50 0.00 N ATOM 1034 NE BARG A 36 -12.395 -4.237 2.426 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.930 -5.224 0.818 0.50 0.00 C ATOM 1036 CZ BARG A 36 -13.271 -5.205 2.182 0.50 0.00 C ATOM 1037 NH1AARG A 36 -12.333 -4.139 1.465 0.50 0.00 N ATOM 1038 NH1BARG A 36 -12.871 -6.337 1.619 0.50 0.00 N ATOM 1039 NH2AARG A 36 -12.823 -6.027 0.255 0.50 0.00 N ATOM 1040 NH2BARG A 36 -14.548 -5.045 2.502 0.50 0.00 N ATOM 0 H AARG A 36 -5.924 -3.705 3.862 0.50 0.00 H new ATOM 0 H BARG A 36 -6.593 -3.212 4.001 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.031 -2.527 2.536 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.445 -1.141 3.148 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.482 -4.986 2.817 0.50 0.00 H new ATOM 0 HB2BARG A 36 -8.166 -3.415 2.052 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.177 -4.906 4.424 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.847 -4.136 3.497 0.50 0.00 H new ATOM 0 HG2AARG A 36 -9.963 -5.706 3.169 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.820 -2.400 3.030 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.307 -3.988 3.222 0.50 0.00 H new ATOM 0 HG3BARG A 36 -10.190 -2.462 1.396 0.50 0.00 H new ATOM 0 HD2AARG A 36 -9.711 -3.648 0.992 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.857 -4.631 1.063 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.614 -5.014 0.960 0.50 0.00 H new ATOM 0 HD3BARG A 36 -10.515 -5.108 2.714 0.50 0.00 H new ATOM 0 HE AARG A 36 -10.357 -6.349 0.228 0.50 0.00 H new ATOM 0 HE BARG A 36 -12.734 -3.380 2.863 0.50 0.00 H new ATOM 0 HH11AARG A 36 -11.648 -3.520 1.899 0.50 0.00 H new ATOM 0 HH11BARG A 36 -11.889 -6.465 1.373 0.50 0.00 H new ATOM 0 HH12AARG A 36 -13.328 -3.924 1.529 0.50 0.00 H new ATOM 0 HH12BARG A 36 -13.545 -7.080 1.432 0.50 0.00 H new ATOM 0 HH21AARG A 36 -12.515 -6.862 -0.243 0.50 0.00 H new ATOM 0 HH21BARG A 36 -14.860 -4.177 2.937 0.50 0.00 H new ATOM 0 HH22AARG A 36 -13.817 -5.809 0.320 0.50 0.00 H new ATOM 0 HH22BARG A 36 -15.218 -5.790 2.313 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.369 -1.178 4.126 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.689 -0.752 5.249 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.253 -0.398 4.997 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.489 -0.481 6.447 0.50 0.00 C ATOM 1071 C APRO A 37 -11.557 -1.127 5.305 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.824 -1.216 6.433 0.50 0.00 C ATOM 1073 O APRO A 37 -12.109 -1.819 4.447 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.410 -1.437 5.370 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.530 0.868 4.180 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.711 1.033 6.391 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.337 0.451 2.762 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.597 1.379 4.945 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.257 -0.594 2.780 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.587 0.424 4.370 0.50 0.00 C ATOM 0 HA APRO A 37 -9.799 -0.205 5.969 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.989 -0.819 7.355 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.542 1.236 4.351 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.689 1.305 6.787 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.848 1.673 4.453 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.968 1.565 6.985 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.261 0.050 2.344 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.559 1.279 4.443 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.048 1.300 2.142 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.275 2.412 4.815 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.410 -1.343 2.003 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.816 0.172 3.334 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.273 -0.157 2.612 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.583 0.847 4.380 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.042 -0.971 6.532 0.50 0.00 N ATOM 1096 N BSER A 38 -12.302 -1.594 7.613 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.279 -1.619 6.953 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.567 -2.308 7.734 0.50 0.00 C ATOM 1099 C ASER A 38 -14.335 -0.582 7.324 0.50 0.00 C ATOM 1100 C BSER A 38 -14.742 -1.386 7.425 0.50 0.00 C ATOM 1101 O ASER A 38 -14.055 0.616 7.374 0.50 0.00 O ATOM 1102 O BSER A 38 -15.396 -1.519 6.391 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.016 -2.544 8.143 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.717 -2.887 9.141 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.149 -3.344 8.425 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.625 -1.871 10.126 0.50 0.00 O ATOM 0 H ASER A 38 -11.598 -0.402 7.252 0.50 0.00 H new ATOM 0 H BSER A 38 -11.832 -1.417 8.501 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.653 -2.211 6.118 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.566 -3.123 7.011 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.160 -3.183 7.929 0.50 0.00 H new ATOM 0 HB2BSER A 38 -14.677 -3.395 9.228 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.759 -1.950 9.020 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.944 -3.636 9.313 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.956 -3.928 9.188 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.726 -2.268 11.016 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.552 -1.052 7.584 0.50 0.00 N ATOM 1118 N BGLY A 39 -15.005 -0.448 8.330 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.632 -0.155 7.946 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.102 0.483 8.135 0.50 0.00 C ATOM 1121 C AGLY A 39 -17.424 -0.654 9.138 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.927 0.678 9.393 0.50 0.00 C ATOM 1123 O AGLY A 39 -17.122 -0.262 10.265 0.50 0.00 O ATOM 1124 O BGLY A 39 -16.558 0.199 10.464 0.50 0.00 O ATOM 0 H AGLY A 39 -15.808 -2.039 7.550 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.479 -0.316 9.194 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -16.222 0.829 8.172 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.705 1.445 7.812 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.301 -0.034 7.094 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.746 0.119 7.335 0.50 0.00 H new