USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN A: amide:sc= 0.336 K(o=-1.7,f=-14!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -1.4 K(o=-1.7,f=-15!) USER MOD Set 1.3: A 29 THR OG1A: rot -32:sc= 0.0966 USER MOD Set 1.4: A 29 THR OG1B: rot 180:sc= -0.69 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ A:NH3+ -162:sc=-0.00203 (180deg=-0.0959) USER MOD Single : A 13 LYS NZ B:NH3+ -120:sc= -0.506 (180deg=-2.15!) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.171 K(o=-0.17,f=-0.9) USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG A: rot -140:sc= -0.213 USER MOD Single : A 19 SER OG B: rot -100:sc= 0.288 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 27 HIS A:FLIP no HE2:sc= -0.205 F(o=-1.5,f=-0.2) USER MOD Single : A 27 HIS B: no HD1:sc= -0.227 K(o=-0.23,f=-0.86) USER MOD Single : A 30 ASN A: amide:sc= -0.196 X(o=-0.2,f=-0.036) USER MOD Single : A 30 ASN B: amide:sc= -0.053 X(o=-0.053,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= 0.0255 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0933 USER MOD Single : A 38 SER OG B: rot 180:sc= 0.0717 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -12.719 -3.298 -4.974 0.50 0.00 N ATOM 24 N BLYS A 6 -13.123 -4.711 -4.327 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.022 -4.202 -3.870 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.417 -5.110 -2.956 0.50 0.00 C ATOM 27 C ALYS A 6 -13.074 -3.445 -2.546 0.50 0.00 C ATOM 28 C BLYS A 6 -12.911 -4.066 -1.965 0.50 0.00 C ATOM 29 O ALYS A 6 -12.688 -3.973 -1.503 0.50 0.00 O ATOM 30 O BLYS A 6 -11.726 -4.036 -1.630 0.50 0.00 O ATOM 31 CB ALYS A 6 -11.977 -5.317 -3.793 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.779 -6.468 -2.651 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.169 -6.404 -4.836 0.50 0.00 C ATOM 34 CG BLYS A 6 -11.293 -6.524 -2.960 0.50 0.00 C ATOM 35 CD ALYS A 6 -11.104 -7.481 -4.723 0.50 0.00 C ATOM 36 CD BLYS A 6 -10.808 -7.959 -3.100 0.50 0.00 C ATOM 37 CE ALYS A 6 -11.719 -8.856 -4.515 0.50 0.00 C ATOM 38 CE BLYS A 6 -10.912 -8.444 -4.538 0.50 0.00 C ATOM 39 NZ ALYS A 6 -10.684 -9.922 -4.445 0.50 0.00 N ATOM 40 NZ BLYS A 6 -9.574 -8.754 -5.116 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.001 -4.644 -4.054 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.499 -5.191 -2.852 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -10.985 -4.882 -3.912 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -12.932 -6.704 -1.598 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -12.011 -5.767 -2.801 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.291 -7.238 -3.228 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -13.155 -6.853 -4.717 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -11.091 -5.979 -3.882 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.137 -5.963 -5.832 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -10.736 -6.026 -2.166 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -10.495 -7.487 -5.627 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -9.773 -8.029 -2.765 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -10.439 -7.250 -3.891 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -11.397 -8.608 -2.452 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -12.304 -8.857 -3.595 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -11.540 -9.334 -4.577 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -12.408 -9.072 -5.331 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -11.402 -7.682 -5.144 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -11.144 -10.844 -4.303 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -9.687 -9.081 -6.097 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -10.142 -9.939 -5.333 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -8.983 -7.898 -5.102 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -10.041 -9.730 -3.651 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -9.117 -9.499 -4.553 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.554 -2.207 -2.596 0.50 0.00 N ATOM 68 N BLEU A 7 -13.817 -3.212 -1.500 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.656 -1.379 -1.401 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.463 -2.167 -0.547 0.50 0.00 C ATOM 71 C ALEU A 7 -15.106 -0.994 -1.126 0.50 0.00 C ATOM 72 C BLEU A 7 -14.704 -1.411 -0.084 0.50 0.00 C ATOM 73 O ALEU A 7 -15.955 -1.009 -2.017 0.50 0.00 O ATOM 74 O BLEU A 7 -15.732 -1.378 -0.760 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.803 -0.118 -1.554 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.465 -1.192 -1.174 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.340 -0.240 -1.124 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.017 -0.270 -2.261 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.694 -1.456 -1.769 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.952 1.182 -1.812 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.572 1.026 -1.481 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.255 -0.463 -3.563 0.50 0.00 C ATOM 0 H ALEU A 7 -13.878 -1.755 -3.451 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.801 -3.223 -1.768 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.287 -1.960 -0.556 0.50 0.00 H new ATOM 0 HA BLEU A 7 -13.002 -2.642 0.319 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -12.829 0.189 -2.599 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.045 -0.574 -0.381 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.265 0.682 -0.975 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.643 -1.768 -1.598 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.309 -0.368 -0.042 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.061 -0.529 -2.434 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.654 -1.527 -1.452 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.349 1.824 -2.598 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.228 -2.356 -1.465 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.544 1.309 -0.906 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -10.737 -1.358 -2.854 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.916 1.454 -1.610 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.533 0.922 -1.168 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.662 0.202 -4.325 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.612 1.184 -2.559 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.201 -0.232 -3.406 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.020 1.879 -0.972 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.355 -1.497 -3.893 0.50 0.00 H new ATOM 105 N APRO A 8 -15.396 -0.639 0.135 0.50 0.00 N ATOM 106 N BPRO A 8 -14.609 -0.785 1.100 0.50 0.00 N ATOM 107 CA APRO A 8 -16.744 -0.242 0.555 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.712 -0.013 1.680 0.50 0.00 C ATOM 109 C APRO A 8 -17.156 1.107 -0.024 0.50 0.00 C ATOM 110 C BPRO A 8 -15.989 1.273 0.909 0.50 0.00 C ATOM 111 O APRO A 8 -16.361 1.812 -0.646 0.50 0.00 O ATOM 112 O BPRO A 8 -15.150 1.768 0.158 0.50 0.00 O ATOM 113 CB APRO A 8 -16.630 -0.158 2.078 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.221 0.304 3.093 0.50 0.00 C ATOM 115 CG APRO A 8 -15.188 0.111 2.336 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.734 0.267 2.993 0.50 0.00 C ATOM 117 CD APRO A 8 -14.432 -0.599 1.246 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.415 -0.780 1.961 0.50 0.00 C ATOM 0 HA APRO A 8 -17.503 -0.944 0.209 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.652 -0.565 1.656 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.259 0.637 2.479 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.572 1.281 3.424 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.950 -1.087 2.551 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.588 -0.427 3.813 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.982 1.181 2.320 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.338 1.239 2.698 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.892 -0.256 3.319 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.284 0.018 3.954 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.524 -0.062 0.971 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.515 -0.529 1.399 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.130 -1.600 1.553 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.244 -1.755 2.417 0.50 0.00 H new ATOM 133 N APRO A 9 -18.429 1.476 0.182 0.50 0.00 N ATOM 134 N BPRO A 9 -17.196 1.829 1.100 0.50 0.00 N ATOM 135 CA APRO A 9 -18.977 2.743 -0.310 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.609 3.067 0.431 0.50 0.00 C ATOM 137 C APRO A 9 -18.403 3.949 0.429 0.50 0.00 C ATOM 138 C BPRO A 9 -16.855 4.286 0.952 0.50 0.00 C ATOM 139 O APRO A 9 -18.643 4.129 1.622 0.50 0.00 O ATOM 140 O BPRO A 9 -16.471 4.340 2.119 0.50 0.00 O ATOM 141 CB APRO A 9 -20.477 2.612 -0.037 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.097 3.173 0.774 0.50 0.00 C ATOM 143 CG APRO A 9 -20.573 1.648 1.093 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.249 2.413 2.044 0.50 0.00 C ATOM 145 CD APRO A 9 -19.432 0.683 0.914 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.246 1.295 1.981 0.50 0.00 C ATOM 0 HA APRO A 9 -18.735 2.911 -1.359 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.404 3.041 -0.639 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.917 3.574 0.225 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.402 4.212 0.896 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.009 2.247 -0.915 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.716 2.750 -0.017 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.502 2.162 2.051 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.065 3.054 2.906 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.530 1.127 1.081 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.262 2.023 2.147 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.047 0.333 1.872 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.855 1.049 2.969 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.736 -0.199 0.351 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.685 0.383 1.576 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.646 4.772 -0.288 0.50 0.00 N ATOM 162 N BGLY A 10 -16.648 5.266 0.077 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.050 5.949 0.316 0.50 0.00 C ATOM 164 CA BGLY A 10 -15.941 6.472 0.466 0.50 0.00 C ATOM 165 C AGLY A 10 -15.544 5.988 0.152 0.50 0.00 C ATOM 166 C BGLY A 10 -14.452 6.385 0.194 0.50 0.00 C ATOM 167 O AGLY A 10 -14.933 7.055 0.215 0.50 0.00 O ATOM 168 O BGLY A 10 -13.826 7.371 -0.195 0.50 0.00 O ATOM 0 H AGLY A 10 -17.434 4.645 -1.278 0.50 0.00 H new ATOM 0 H BGLY A 10 -16.958 5.246 -0.895 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.484 6.843 -0.133 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.357 7.323 -0.074 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.297 5.973 1.377 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.103 6.658 1.528 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.944 4.820 -0.055 0.50 0.00 N ATOM 176 N BTRP A 11 -13.883 5.203 0.399 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.499 4.725 -0.227 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.458 4.992 0.172 0.50 0.00 C ATOM 179 C ATRP A 11 -13.129 4.647 -1.704 0.50 0.00 C ATOM 180 C BTRP A 11 -12.176 4.703 -1.298 0.50 0.00 C ATOM 181 O ATRP A 11 -13.931 4.215 -2.530 0.50 0.00 O ATOM 182 O BTRP A 11 -12.975 4.060 -1.976 0.50 0.00 O ATOM 183 CB ATRP A 11 -12.956 3.501 0.512 0.50 0.00 C ATOM 184 CB BTRP A 11 -11.950 3.839 1.038 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.700 3.749 1.967 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.269 4.002 2.494 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.594 3.614 2.991 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.443 3.684 3.116 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.470 4.180 2.561 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.404 4.525 3.508 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.993 3.934 4.185 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.361 3.978 4.455 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.691 4.282 3.948 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.120 4.493 4.721 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.204 4.485 2.054 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.095 5.013 3.510 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.691 4.680 4.831 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.568 4.934 5.921 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.213 4.880 2.933 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.549 5.450 4.702 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.460 4.973 4.309 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.284 5.408 5.895 0.50 0.00 C ATOM 0 H ATRP A 11 -15.435 3.928 -0.108 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.386 4.376 0.722 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.049 5.624 0.194 0.50 0.00 H new ATOM 0 HA BTRP A 11 -11.932 5.906 0.449 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.666 2.680 0.410 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.386 2.906 0.680 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.029 3.181 0.037 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.870 3.753 0.918 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.622 3.302 2.879 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.309 3.263 2.626 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.444 3.915 5.100 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.103 3.836 5.140 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.004 4.413 0.995 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.520 5.048 2.596 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.880 4.755 5.892 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.133 4.903 6.841 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.231 5.121 2.553 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.538 5.831 4.715 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.664 5.282 4.970 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.829 5.756 6.810 0.50 0.00 H new ATOM 223 N AGLU A 12 -11.912 5.070 -2.029 0.50 0.00 N ATOM 224 N BGLU A 12 -11.036 5.184 -1.784 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.438 5.048 -3.408 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.650 4.975 -3.174 0.50 0.00 C ATOM 227 C AGLU A 12 -10.068 4.380 -3.503 0.50 0.00 C ATOM 228 C BGLU A 12 -9.246 4.384 -3.266 0.50 0.00 C ATOM 229 O AGLU A 12 -9.080 4.890 -2.975 0.50 0.00 O ATOM 230 O BGLU A 12 -8.374 4.695 -2.457 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.365 6.470 -3.968 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.712 6.295 -3.946 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.920 6.598 -5.377 0.50 0.00 C ATOM 234 CG BGLU A 12 -9.358 6.958 -4.129 0.50 0.00 C ATOM 235 CD AGLU A 12 -10.866 7.016 -6.383 0.50 0.00 C ATOM 236 CD BGLU A 12 -9.466 8.449 -4.381 0.50 0.00 C ATOM 237 OE1AGLU A 12 -9.908 6.241 -6.593 0.50 0.00 O ATOM 238 OE1BGLU A 12 -10.454 8.871 -5.018 0.50 0.00 O ATOM 239 OE2AGLU A 12 -10.997 8.114 -6.960 0.50 0.00 O ATOM 240 OE2BGLU A 12 -8.563 9.194 -3.944 0.50 0.00 O ATOM 0 H AGLU A 12 -11.236 5.432 -1.356 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.364 5.721 -1.236 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.147 4.468 -4.000 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.352 4.269 -3.618 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -11.915 7.140 -3.308 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -11.153 6.112 -4.926 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.326 6.800 -3.964 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -11.375 6.982 -3.421 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -12.350 5.644 -5.682 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -8.751 6.787 -3.240 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.729 7.328 -5.380 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -8.838 6.489 -4.965 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.020 3.240 -4.182 0.50 0.00 N ATOM 254 N BLYS A 13 -9.036 3.528 -4.261 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.772 2.502 -4.347 0.50 0.00 C ATOM 256 CA BLYS A 13 -7.739 2.892 -4.464 0.50 0.00 C ATOM 257 C ALYS A 13 -7.930 3.103 -5.467 0.50 0.00 C ATOM 258 C BLYS A 13 -6.989 3.543 -5.619 0.50 0.00 C ATOM 259 O ALYS A 13 -8.290 3.019 -6.642 0.50 0.00 O ATOM 260 O BLYS A 13 -7.536 3.717 -6.709 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.064 1.030 -4.648 0.50 0.00 C ATOM 262 CB BLYS A 13 -7.918 1.397 -4.733 0.50 0.00 C ATOM 263 CG ALYS A 13 -7.829 0.230 -5.027 0.50 0.00 C ATOM 264 CG BLYS A 13 -8.691 0.671 -3.647 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.952 -1.223 -4.601 0.50 0.00 C ATOM 266 CD BLYS A 13 -8.744 -0.826 -3.905 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.730 -2.169 -5.773 0.50 0.00 C ATOM 268 CE BLYS A 13 -9.511 -1.144 -5.181 0.50 0.00 C ATOM 269 NZ ALYS A 13 -8.801 -2.039 -6.799 0.50 0.00 N ATOM 270 NZ BLYS A 13 -8.627 -1.128 -6.380 0.50 0.00 N ATOM 0 H ALYS A 13 -10.829 2.806 -4.627 0.50 0.00 H new ATOM 0 H BLYS A 13 -9.748 3.259 -4.940 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.210 2.572 -3.416 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.152 3.022 -3.555 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.528 0.574 -3.773 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -8.435 1.267 -5.684 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.788 0.971 -5.460 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -6.936 0.935 -4.838 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.678 0.282 -6.105 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -8.224 0.858 -2.680 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -6.950 0.674 -4.560 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -9.705 1.068 -3.594 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -7.225 -1.436 -3.817 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.730 -1.220 -3.981 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -8.940 -1.396 -4.175 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -9.218 -1.326 -3.060 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -6.762 -1.961 -6.229 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -9.979 -2.124 -5.088 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -7.697 -3.196 -5.410 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -10.314 -0.418 -5.312 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -8.798 -2.879 -7.413 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -8.966 -0.410 -7.052 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -9.725 -1.958 -6.328 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -7.654 -0.899 -6.091 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -8.630 -1.190 -7.374 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -8.642 -2.063 -6.835 0.50 0.00 H new ATOM 297 N AARG A 14 -6.806 3.707 -5.098 0.50 0.00 N ATOM 298 N BARG A 14 -5.731 3.899 -5.378 0.50 0.00 N ATOM 299 CA AARG A 14 -5.912 4.322 -6.069 0.50 0.00 C ATOM 300 CA BARG A 14 -4.906 4.530 -6.400 0.50 0.00 C ATOM 301 C AARG A 14 -4.591 3.562 -6.151 0.50 0.00 C ATOM 302 C BARG A 14 -3.557 3.828 -6.520 0.50 0.00 C ATOM 303 O AARG A 14 -4.298 2.715 -5.309 0.50 0.00 O ATOM 304 O BARG A 14 -3.020 3.322 -5.536 0.50 0.00 O ATOM 305 CB AARG A 14 -5.649 5.783 -5.702 0.50 0.00 C ATOM 306 CB BARG A 14 -4.695 6.009 -6.074 0.50 0.00 C ATOM 307 CG AARG A 14 -6.914 6.605 -5.526 0.50 0.00 C ATOM 308 CG BARG A 14 -5.933 6.694 -5.516 0.50 0.00 C ATOM 309 CD AARG A 14 -6.899 7.848 -6.402 0.50 0.00 C ATOM 310 CD BARG A 14 -6.240 7.985 -6.260 0.50 0.00 C ATOM 311 NE AARG A 14 -8.015 8.742 -6.104 0.50 0.00 N ATOM 312 NE BARG A 14 -6.507 7.750 -7.676 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.466 9.661 -6.950 0.50 0.00 C ATOM 314 CZ BARG A 14 -7.192 8.589 -8.443 0.50 0.00 C ATOM 315 NH1AARG A 14 -7.902 9.805 -8.142 0.50 0.00 N ATOM 316 NH1BARG A 14 -7.677 9.715 -7.934 0.50 0.00 N ATOM 317 NH2AARG A 14 -9.486 10.438 -6.607 0.50 0.00 N ATOM 318 NH2BARG A 14 -7.393 8.307 -9.723 0.50 0.00 N ATOM 0 H AARG A 14 -6.493 3.783 -4.130 0.50 0.00 H new ATOM 0 H BARG A 14 -5.261 3.761 -4.483 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.396 4.282 -7.045 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.427 4.446 -7.354 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.072 5.818 -4.778 0.50 0.00 H new ATOM 0 HB2BARG A 14 -3.883 6.101 -5.352 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.035 6.239 -6.479 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.378 6.530 -6.978 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.783 5.995 -5.774 0.50 0.00 H new ATOM 0 HG2BARG A 14 -6.786 6.020 -5.588 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.017 6.897 -4.481 0.50 0.00 H new ATOM 0 HG3BARG A 14 -5.785 6.909 -4.458 0.50 0.00 H new ATOM 0 HD2AARG A 14 -5.959 8.381 -6.258 0.50 0.00 H new ATOM 0 HD2BARG A 14 -7.103 8.470 -5.804 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.941 7.553 -7.450 0.50 0.00 H new ATOM 0 HD3BARG A 14 -5.399 8.671 -6.159 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.473 8.656 -5.197 0.50 0.00 H new ATOM 0 HE BARG A 14 -6.147 6.894 -8.099 0.50 0.00 H new ATOM 0 HH11AARG A 14 -7.119 9.209 -8.411 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.524 9.938 -6.950 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.251 10.512 -8.789 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.203 10.357 -8.526 0.50 0.00 H new ATOM 0 HH21AARG A 14 -9.925 10.330 -5.692 0.50 0.00 H new ATOM 0 HH21BARG A 14 -7.021 7.444 -10.120 0.50 0.00 H new ATOM 0 HH22AARG A 14 -9.831 11.143 -7.258 0.50 0.00 H new ATOM 0 HH22BARG A 14 -7.920 8.953 -10.311 0.50 0.00 H new ATOM 345 N AMET A 15 -3.800 3.870 -7.174 0.50 0.00 N ATOM 346 N BMET A 15 -3.015 3.800 -7.734 0.50 0.00 N ATOM 347 CA AMET A 15 -2.510 3.215 -7.366 0.50 0.00 C ATOM 348 CA BMET A 15 -1.728 3.161 -7.981 0.50 0.00 C ATOM 349 C AMET A 15 -1.431 4.234 -7.723 0.50 0.00 C ATOM 350 C BMET A 15 -0.708 4.172 -8.495 0.50 0.00 C ATOM 351 O AMET A 15 -1.628 5.080 -8.596 0.50 0.00 O ATOM 352 O BMET A 15 -0.955 4.875 -9.475 0.50 0.00 O ATOM 353 CB AMET A 15 -2.610 2.156 -8.463 0.50 0.00 C ATOM 354 CB BMET A 15 -1.887 2.022 -8.990 0.50 0.00 C ATOM 355 CG AMET A 15 -1.510 1.108 -8.400 0.50 0.00 C ATOM 356 CG BMET A 15 -1.587 0.649 -8.410 0.50 0.00 C ATOM 357 SD AMET A 15 -2.154 -0.571 -8.278 0.50 0.00 S ATOM 358 SD BMET A 15 -3.048 -0.143 -7.711 0.50 0.00 S ATOM 359 CE AMET A 15 -2.029 -1.107 -9.981 0.50 0.00 C ATOM 360 CE BMET A 15 -3.684 -1.008 -9.144 0.50 0.00 C ATOM 0 H AMET A 15 -4.029 4.568 -7.882 0.50 0.00 H new ATOM 0 H BMET A 15 -3.447 4.212 -8.561 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.233 2.732 -6.429 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.365 2.754 -7.037 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.578 1.660 -8.390 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.906 2.029 -9.376 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.576 2.648 -9.435 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.224 2.202 -9.836 0.50 0.00 H new ATOM 0 HG2AMET A 15 -0.885 1.189 -9.289 0.50 0.00 H new ATOM 0 HG2BMET A 15 -1.171 0.012 -9.191 0.50 0.00 H new ATOM 0 HG3AMET A 15 -0.870 1.310 -7.541 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.825 0.744 -7.637 0.50 0.00 H new ATOM 0 HE1AMET A 15 -2.391 -2.131 -10.068 0.50 0.00 H new ATOM 0 HE1BMET A 15 -4.591 -1.548 -8.871 0.50 0.00 H new ATOM 0 HE2AMET A 15 -2.631 -0.454 -10.613 0.50 0.00 H new ATOM 0 HE2BMET A 15 -3.913 -0.289 -9.931 0.50 0.00 H new ATOM 0 HE3AMET A 15 -0.988 -1.062 -10.301 0.50 0.00 H new ATOM 0 HE3BMET A 15 -2.936 -1.714 -9.504 0.50 0.00 H new ATOM 379 N ASER A 16 -0.293 4.145 -7.043 0.50 0.00 N ATOM 380 N BSER A 16 0.439 4.239 -7.827 0.50 0.00 N ATOM 381 CA ASER A 16 0.815 5.063 -7.285 0.50 0.00 C ATOM 382 CA BSER A 16 1.496 5.167 -8.215 0.50 0.00 C ATOM 383 C ASER A 16 1.722 4.536 -8.394 0.50 0.00 C ATOM 384 C BSER A 16 2.191 4.698 -9.488 0.50 0.00 C ATOM 385 O ASER A 16 1.712 3.346 -8.707 0.50 0.00 O ATOM 386 O BSER A 16 2.304 3.499 -9.743 0.50 0.00 O ATOM 387 CB ASER A 16 1.625 5.269 -6.004 0.50 0.00 C ATOM 388 CB BSER A 16 2.519 5.309 -7.084 0.50 0.00 C ATOM 389 OG ASER A 16 1.824 6.648 -5.743 0.50 0.00 O ATOM 390 OG BSER A 16 2.082 6.250 -6.117 0.50 0.00 O ATOM 0 H ASER A 16 -0.113 3.448 -6.321 0.50 0.00 H new ATOM 0 H BSER A 16 0.660 3.663 -7.015 0.50 0.00 H new ATOM 0 HA ASER A 16 0.400 6.020 -7.601 0.50 0.00 H new ATOM 0 HA BSER A 16 1.040 6.138 -8.408 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.106 4.808 -5.164 0.50 0.00 H new ATOM 0 HB2BSER A 16 2.677 4.341 -6.609 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.590 4.770 -6.096 0.50 0.00 H new ATOM 0 HB3BSER A 16 3.479 5.623 -7.494 0.50 0.00 H new ATOM 0 HG ASER A 16 2.343 6.753 -4.918 0.50 0.00 H new ATOM 0 HG BSER A 16 2.751 6.322 -5.405 0.50 0.00 H new ATOM 401 N AARG A 17 2.502 5.434 -8.986 0.50 0.00 N ATOM 402 N BARG A 17 2.656 5.654 -10.286 0.50 0.00 N ATOM 403 CA AARG A 17 3.415 5.062 -10.061 0.50 0.00 C ATOM 404 CA BARG A 17 3.338 5.340 -11.535 0.50 0.00 C ATOM 405 C AARG A 17 4.847 4.951 -9.546 0.50 0.00 C ATOM 406 C BARG A 17 4.852 5.330 -11.340 0.50 0.00 C ATOM 407 O AARG A 17 5.126 5.261 -8.389 0.50 0.00 O ATOM 408 O BARG A 17 5.605 5.701 -12.240 0.50 0.00 O ATOM 409 CB AARG A 17 3.347 6.088 -11.193 0.50 0.00 C ATOM 410 CB BARG A 17 2.960 6.354 -12.617 0.50 0.00 C ATOM 411 CG AARG A 17 1.945 6.304 -11.737 0.50 0.00 C ATOM 412 CG BARG A 17 3.619 7.713 -12.437 0.50 0.00 C ATOM 413 CD AARG A 17 1.722 7.751 -12.145 0.50 0.00 C ATOM 414 CD BARG A 17 2.587 8.830 -12.400 0.50 0.00 C ATOM 415 NE AARG A 17 1.910 8.671 -11.027 0.50 0.00 N ATOM 416 NE BARG A 17 1.551 8.588 -11.400 0.50 0.00 N ATOM 417 CZ AARG A 17 2.052 9.984 -11.169 0.50 0.00 C ATOM 418 CZ BARG A 17 0.794 9.547 -10.881 0.50 0.00 C ATOM 419 NH1AARG A 17 2.026 10.529 -12.378 0.50 0.00 N ATOM 420 NH1BARG A 17 0.954 10.806 -11.265 0.50 0.00 N ATOM 421 NH2AARG A 17 2.218 10.755 -10.103 0.50 0.00 N ATOM 422 NH2BARG A 17 -0.129 9.249 -9.973 0.50 0.00 N ATOM 0 H AARG A 17 2.520 6.424 -8.740 0.50 0.00 H new ATOM 0 H BARG A 17 2.573 6.651 -10.090 0.50 0.00 H new ATOM 0 HA AARG A 17 3.109 4.088 -10.443 0.50 0.00 H new ATOM 0 HA BARG A 17 3.022 4.346 -11.852 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.738 7.040 -10.833 0.50 0.00 H new ATOM 0 HB2BARG A 17 3.236 5.952 -13.592 0.50 0.00 H new ATOM 0 HB3AARG A 17 3.997 5.763 -12.006 0.50 0.00 H new ATOM 0 HB3BARG A 17 1.878 6.482 -12.620 0.50 0.00 H new ATOM 0 HG2AARG A 17 1.783 5.654 -12.597 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.197 7.719 -11.513 0.50 0.00 H new ATOM 0 HG3AARG A 17 1.213 6.021 -10.981 0.50 0.00 H new ATOM 0 HG3BARG A 17 4.320 7.890 -13.253 0.50 0.00 H new ATOM 0 HD2AARG A 17 2.411 8.011 -12.948 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.085 9.776 -12.184 0.50 0.00 H new ATOM 0 HD3AARG A 17 0.713 7.864 -12.542 0.50 0.00 H new ATOM 0 HD3BARG A 17 2.126 8.929 -13.383 0.50 0.00 H new ATOM 0 HE AARG A 17 1.934 8.284 -10.084 0.50 0.00 H new ATOM 0 HE BARG A 17 1.401 7.630 -11.083 0.50 0.00 H new ATOM 0 HH11AARG A 17 1.897 9.940 -13.200 0.50 0.00 H new ATOM 0 HH11BARG A 17 1.661 11.041 -11.962 0.50 0.00 H new ATOM 0 HH12AARG A 17 2.135 11.537 -12.485 0.50 0.00 H new ATOM 0 HH12BARG A 17 0.370 11.540 -10.864 0.50 0.00 H new ATOM 0 HH21AARG A 17 2.237 10.340 -9.171 0.50 0.00 H new ATOM 0 HH21BARG A 17 -0.257 8.282 -9.674 0.50 0.00 H new ATOM 0 HH22AARG A 17 2.327 11.763 -10.215 0.50 0.00 H new ATOM 0 HH22BARG A 17 -0.710 9.987 -9.575 0.50 0.00 H new ATOM 449 N AASN A 18 5.750 4.504 -10.412 0.50 0.00 N ATOM 450 N BASN A 18 5.287 4.908 -10.158 0.50 0.00 N ATOM 451 CA AASN A 18 7.152 4.352 -10.044 0.50 0.00 C ATOM 452 CA BASN A 18 6.711 4.853 -9.844 0.50 0.00 C ATOM 453 C AASN A 18 7.328 3.231 -9.024 0.50 0.00 C ATOM 454 C BASN A 18 7.020 3.670 -8.929 0.50 0.00 C ATOM 455 O AASN A 18 7.759 2.130 -9.364 0.50 0.00 O ATOM 456 O BASN A 18 8.013 2.969 -9.119 0.50 0.00 O ATOM 457 CB AASN A 18 7.698 5.663 -9.477 0.50 0.00 C ATOM 458 CB BASN A 18 7.160 6.155 -9.179 0.50 0.00 C ATOM 459 CG AASN A 18 8.718 6.311 -10.395 0.50 0.00 C ATOM 460 CG BASN A 18 8.356 6.776 -9.873 0.50 0.00 C ATOM 461 OD1AASN A 18 8.674 6.133 -11.613 0.50 0.00 O ATOM 462 OD1BASN A 18 9.467 6.247 -9.811 0.50 0.00 O ATOM 463 ND2AASN A 18 9.642 7.066 -9.813 0.50 0.00 N ATOM 464 ND2BASN A 18 8.135 7.903 -10.541 0.50 0.00 N ATOM 0 H AASN A 18 5.536 4.241 -11.374 0.50 0.00 H new ATOM 0 H BASN A 18 4.676 4.599 -9.402 0.50 0.00 H new ATOM 0 HA AASN A 18 7.711 4.093 -10.943 0.50 0.00 H new ATOM 0 HA BASN A 18 7.258 4.723 -10.778 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.873 6.355 -9.310 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.333 6.865 -9.181 0.50 0.00 H new ATOM 0 HB3AASN A 18 8.156 5.473 -8.506 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.410 5.960 -8.136 0.50 0.00 H new ATOM 0 HD21AASN A 18 10.354 7.527 -10.379 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.902 8.365 -11.029 0.50 0.00 H new ATOM 0 HD22AASN A 18 9.639 7.185 -8.800 0.50 0.00 H new ATOM 0 HD22BASN A 18 7.198 8.306 -10.566 0.50 0.00 H new ATOM 477 N ASER A 19 6.990 3.520 -7.772 0.50 0.00 N ATOM 478 N BSER A 19 6.162 3.455 -7.938 0.50 0.00 N ATOM 479 CA ASER A 19 7.113 2.538 -6.701 0.50 0.00 C ATOM 480 CA BSER A 19 6.344 2.361 -6.993 0.50 0.00 C ATOM 481 C ASER A 19 6.108 1.405 -6.883 0.50 0.00 C ATOM 482 C BSER A 19 5.288 1.280 -7.203 0.50 0.00 C ATOM 483 O ASER A 19 6.366 0.265 -6.502 0.50 0.00 O ATOM 484 O BSER A 19 5.420 0.162 -6.704 0.50 0.00 O ATOM 485 CB ASER A 19 6.902 3.207 -5.340 0.50 0.00 C ATOM 486 CB BSER A 19 6.275 2.883 -5.557 0.50 0.00 C ATOM 487 OG ASER A 19 5.573 3.683 -5.207 0.50 0.00 O ATOM 488 OG BSER A 19 4.991 3.406 -5.265 0.50 0.00 O ATOM 0 H ASER A 19 6.629 4.426 -7.474 0.50 0.00 H new ATOM 0 H BSER A 19 5.333 4.025 -7.769 0.50 0.00 H new ATOM 0 HA ASER A 19 8.118 2.119 -6.741 0.50 0.00 H new ATOM 0 HA BSER A 19 7.327 1.924 -7.167 0.50 0.00 H new ATOM 0 HB2ASER A 19 7.118 2.495 -4.544 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.509 2.077 -4.862 0.50 0.00 H new ATOM 0 HB3ASER A 19 7.602 4.035 -5.226 0.50 0.00 H new ATOM 0 HB3BSER A 19 7.028 3.658 -5.412 0.50 0.00 H new ATOM 0 HG ASER A 19 5.581 4.554 -4.757 0.50 0.00 H new ATOM 0 HG BSER A 19 5.013 4.383 -5.333 0.50 0.00 H new ATOM 499 N AGLY A 20 4.960 1.729 -7.472 0.50 0.00 N ATOM 500 N BGLY A 20 4.241 1.621 -7.946 0.50 0.00 N ATOM 501 CA AGLY A 20 3.934 0.729 -7.697 0.50 0.00 C ATOM 502 CA BGLY A 20 3.177 0.668 -8.211 0.50 0.00 C ATOM 503 C AGLY A 20 3.357 0.189 -6.402 0.50 0.00 C ATOM 504 C BGLY A 20 2.454 0.242 -6.948 0.50 0.00 C ATOM 505 O AGLY A 20 3.238 -1.024 -6.228 0.50 0.00 O ATOM 506 O BGLY A 20 1.710 -0.739 -6.953 0.50 0.00 O ATOM 0 H AGLY A 20 4.723 2.666 -7.797 0.50 0.00 H new ATOM 0 H BGLY A 20 4.109 2.539 -8.370 0.50 0.00 H new ATOM 0 HA2AGLY A 20 3.133 1.163 -8.295 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.461 1.110 -8.904 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.354 -0.094 -8.275 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.595 -0.211 -8.701 0.50 0.00 H new ATOM 513 N AARG A 21 3.002 1.090 -5.494 0.50 0.00 N ATOM 514 N BARG A 21 2.671 0.981 -5.865 0.50 0.00 N ATOM 515 CA AARG A 21 2.438 0.697 -4.207 0.50 0.00 C ATOM 516 CA BARG A 21 2.036 0.672 -4.590 0.50 0.00 C ATOM 517 C AARG A 21 0.983 1.140 -4.093 0.50 0.00 C ATOM 518 C BARG A 21 0.531 0.912 -4.660 0.50 0.00 C ATOM 519 O AARG A 21 0.660 2.310 -4.299 0.50 0.00 O ATOM 520 O BARG A 21 0.023 1.464 -5.637 0.50 0.00 O ATOM 521 CB AARG A 21 3.256 1.298 -3.062 0.50 0.00 C ATOM 522 CB BARG A 21 2.646 1.520 -3.472 0.50 0.00 C ATOM 523 CG AARG A 21 3.971 0.259 -2.214 0.50 0.00 C ATOM 524 CG BARG A 21 3.786 0.834 -2.738 0.50 0.00 C ATOM 525 CD AARG A 21 5.329 0.759 -1.751 0.50 0.00 C ATOM 526 CD BARG A 21 4.872 1.822 -2.345 0.50 0.00 C ATOM 527 NE AARG A 21 5.213 1.871 -0.812 0.50 0.00 N ATOM 528 NE BARG A 21 4.410 2.768 -1.332 0.50 0.00 N ATOM 529 CZ AARG A 21 5.356 3.146 -1.161 0.50 0.00 C ATOM 530 CZ BARG A 21 4.002 4.002 -1.608 0.50 0.00 C ATOM 531 NH1AARG A 21 5.619 3.466 -2.420 0.50 0.00 N ATOM 532 NH1BARG A 21 3.998 4.435 -2.861 0.50 0.00 N ATOM 533 NH2AARG A 21 5.233 4.101 -0.248 0.50 0.00 N ATOM 534 NH2BARG A 21 3.596 4.802 -0.631 0.50 0.00 N ATOM 0 H AARG A 21 3.094 2.097 -5.624 0.50 0.00 H new ATOM 0 H BARG A 21 3.282 1.798 -5.845 0.50 0.00 H new ATOM 0 HA AARG A 21 2.475 -0.390 -4.140 0.50 0.00 H new ATOM 0 HA BARG A 21 2.210 -0.382 -4.373 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.993 1.987 -3.476 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.009 2.456 -3.895 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.595 1.884 -2.423 0.50 0.00 H new ATOM 0 HB3BARG A 21 1.866 1.776 -2.755 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.358 0.011 -1.347 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.401 0.341 -1.845 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.096 -0.658 -2.789 0.50 0.00 H new ATOM 0 HG3BARG A 21 4.212 0.057 -3.372 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.874 -0.058 -1.279 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.737 1.278 -1.966 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.913 1.074 -2.616 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.202 2.369 -3.228 0.50 0.00 H new ATOM 0 HE AARG A 21 5.011 1.658 0.165 0.50 0.00 H new ATOM 0 HE BARG A 21 4.400 2.464 -0.358 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.712 2.733 -3.124 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.308 3.821 -3.614 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.728 4.445 -2.685 0.50 0.00 H new ATOM 0 HH12BARG A 21 3.685 5.382 -3.072 0.50 0.00 H new ATOM 0 HH21AARG A 21 5.029 3.857 0.721 0.50 0.00 H new ATOM 0 HH21BARG A 21 3.597 4.470 0.333 0.50 0.00 H new ATOM 0 HH22AARG A 21 5.343 5.079 -0.515 0.50 0.00 H new ATOM 0 HH22BARG A 21 3.283 5.749 -0.844 0.50 0.00 H new ATOM 561 N AVAL A 22 0.106 0.197 -3.763 0.50 0.00 N ATOM 562 N BVAL A 22 -0.179 0.492 -3.617 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.316 0.490 -3.621 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.626 0.661 -3.560 0.50 0.00 C ATOM 565 C AVAL A 22 -1.583 1.327 -2.377 0.50 0.00 C ATOM 566 C BVAL A 22 -2.084 0.999 -2.147 0.50 0.00 C ATOM 567 O AVAL A 22 -0.981 1.105 -1.325 0.50 0.00 O ATOM 568 O BVAL A 22 -1.592 0.432 -1.170 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.150 -0.803 -3.548 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.359 -0.609 -4.035 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.625 -0.477 -3.369 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.233 -1.716 -3.000 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.929 -1.652 -4.790 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.820 -0.303 -4.326 0.50 0.00 C ATOM 0 H AVAL A 22 0.355 -0.777 -3.589 0.50 0.00 H new ATOM 0 H BVAL A 22 0.225 0.033 -2.801 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.613 1.055 -4.504 0.50 0.00 H new ATOM 0 HA BVAL A 22 -1.875 1.486 -4.227 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.822 -1.378 -2.682 0.50 0.00 H new ATOM 0 HB BVAL A 22 -1.893 -0.953 -4.958 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.199 -1.402 -3.319 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -2.756 -2.605 -3.352 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.764 0.086 -2.446 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.180 -1.952 -2.846 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -3.971 0.120 -4.213 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -2.672 -1.386 -2.059 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.526 -2.561 -4.720 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.322 -1.211 -4.660 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.228 -1.088 -5.674 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.302 0.066 -3.421 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.874 -1.916 -4.867 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -3.884 0.455 -5.106 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.488 2.290 -2.500 0.50 0.00 N ATOM 594 N BTYR A 23 -3.031 1.927 -2.043 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.834 3.163 -1.384 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.554 2.343 -0.748 0.50 0.00 C ATOM 597 C ATYR A 23 -4.296 3.593 -1.461 0.50 0.00 C ATOM 598 C BTYR A 23 -5.025 2.734 -0.856 0.50 0.00 C ATOM 599 O ATYR A 23 -4.844 3.772 -2.550 0.50 0.00 O ATOM 600 O BTYR A 23 -5.606 2.719 -1.941 0.50 0.00 O ATOM 601 CB ATYR A 23 -1.927 4.395 -1.373 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.742 3.517 -0.198 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.238 5.386 -2.474 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.704 4.712 -1.125 0.50 0.00 C ATOM 605 CD1ATYR A 23 -1.613 5.295 -3.712 0.50 0.00 C ATOM 606 CD1BTYR A 23 -1.849 4.739 -2.220 0.50 0.00 C ATOM 607 CD2ATYR A 23 -3.154 6.411 -2.276 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.522 5.814 -0.903 0.50 0.00 C ATOM 609 CE1ATYR A 23 -1.892 6.197 -4.720 0.50 0.00 C ATOM 610 CE1BTYR A 23 -1.810 5.830 -3.067 0.50 0.00 C ATOM 611 CE2ATYR A 23 -3.440 7.315 -3.278 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.489 6.906 -1.747 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.807 7.206 -4.498 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.633 6.910 -2.827 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.088 8.107 -5.501 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.598 7.998 -3.669 0.50 0.00 O ATOM 0 H ATYR A 23 -2.996 2.487 -3.362 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.451 2.404 -2.841 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.688 2.604 -0.460 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.469 1.500 -0.063 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.019 4.895 -0.409 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.164 3.823 0.759 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -0.890 4.073 -1.467 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.722 3.184 -0.005 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -0.897 4.506 -3.889 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -1.205 3.894 -2.412 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -3.651 6.502 -1.321 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -4.194 5.816 -0.057 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -1.397 6.113 -5.676 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.138 5.837 -3.913 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -4.157 8.105 -3.108 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.132 7.754 -1.562 0.50 0.00 H new ATOM 0 HH ATYR A 23 -3.753 8.753 -5.184 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.240 8.671 -3.360 0.50 0.00 H new ATOM 635 N ATYR A 24 -4.919 3.757 -0.302 0.50 0.00 N ATOM 636 N BTYR A 24 -5.621 3.083 0.279 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.318 4.165 -0.236 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.025 3.476 0.316 0.50 0.00 C ATOM 639 C ATYR A 24 -6.440 5.623 0.197 0.50 0.00 C ATOM 640 C BTYR A 24 -7.183 4.879 0.889 0.50 0.00 C ATOM 641 O ATYR A 24 -5.564 6.157 0.879 0.50 0.00 O ATOM 642 O BTYR A 24 -6.873 5.125 2.056 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.087 3.267 0.735 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.836 2.479 1.145 0.50 0.00 C ATOM 645 CG ATYR A 24 -6.977 1.795 0.415 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.841 1.079 0.574 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.265 1.316 -0.859 0.50 0.00 C ATOM 648 CD1BTYR A 24 -6.711 0.273 0.651 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.584 0.881 1.384 0.50 0.00 C ATOM 650 CD2BTYR A 24 -8.975 0.562 -0.041 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.165 -0.029 -1.155 0.50 0.00 C ATOM 652 CE1BTYR A 24 -6.712 -1.008 0.130 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.481 -0.467 1.097 0.50 0.00 C ATOM 654 CE2BTYR A 24 -8.984 -0.717 -0.564 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.772 -0.916 -0.175 0.50 0.00 C ATOM 656 CZ BTYR A 24 -7.851 -1.497 -0.477 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.672 -2.259 -0.467 0.50 0.00 O ATOM 658 OH BTYR A 24 -7.856 -2.771 -0.996 0.50 0.00 O ATOM 0 H ATYR A 24 -4.478 3.614 0.607 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.154 3.102 1.186 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.748 4.064 -1.233 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.402 3.477 -0.707 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -6.717 3.439 1.746 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.433 2.448 2.157 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.138 3.554 0.727 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.864 2.835 1.222 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.572 2.008 -1.629 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -5.818 0.653 1.125 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.355 1.230 2.380 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -9.865 1.170 -0.111 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.393 -0.384 -2.149 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -5.826 -1.622 0.198 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -6.175 -1.164 1.863 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -9.874 -1.103 -1.038 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.382 -2.747 0.332 0.50 0.00 H new ATOM 0 HH BTYR A 24 -8.734 -2.961 -1.387 0.50 0.00 H new ATOM 677 N APHE A 25 -7.533 6.263 -0.206 0.50 0.00 N ATOM 678 N BPHE A 25 -7.668 5.800 0.061 0.50 0.00 N ATOM 679 CA APHE A 25 -7.772 7.659 0.139 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.867 7.181 0.486 0.50 0.00 C ATOM 681 C APHE A 25 -9.229 7.880 0.535 0.50 0.00 C ATOM 682 C BPHE A 25 -9.337 7.576 0.381 0.50 0.00 C ATOM 683 O APHE A 25 -10.143 7.612 -0.244 0.50 0.00 O ATOM 684 O BPHE A 25 -9.957 7.429 -0.673 0.50 0.00 O ATOM 685 CB APHE A 25 -7.409 8.566 -1.039 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.012 8.125 -0.361 0.50 0.00 C ATOM 687 CG APHE A 25 -6.651 9.799 -0.635 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.262 9.579 -0.077 0.50 0.00 C ATOM 689 CD1APHE A 25 -5.573 10.241 -1.386 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.228 10.280 -0.781 0.50 0.00 C ATOM 691 CD2APHE A 25 -7.014 10.513 0.496 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.532 10.245 0.894 0.50 0.00 C ATOM 693 CE1APHE A 25 -4.873 11.375 -1.017 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.462 11.616 -0.521 0.50 0.00 C ATOM 695 CE2APHE A 25 -6.317 11.647 0.868 0.50 0.00 C ATOM 696 CE2BPHE A 25 -6.762 11.582 1.158 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.244 12.077 0.111 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.727 12.269 0.449 0.50 0.00 C ATOM 0 H APHE A 25 -8.267 5.837 -0.772 0.50 0.00 H new ATOM 0 H BPHE A 25 -7.930 5.615 -0.907 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.140 7.910 0.991 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.561 7.262 1.529 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.811 7.999 -1.753 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -5.959 7.905 -0.185 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.323 8.863 -1.553 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.207 7.930 -1.416 0.50 0.00 H new ATOM 0 HD1APHE A 25 -5.277 9.694 -2.269 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -8.805 9.776 -1.542 0.50 0.00 H new ATOM 0 HD2APHE A 25 -7.850 10.180 1.093 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -5.775 9.713 1.451 0.50 0.00 H new ATOM 0 HE1APHE A 25 -4.036 11.711 -1.612 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -9.219 12.150 -1.076 0.50 0.00 H new ATOM 0 HE2APHE A 25 -6.611 12.197 1.750 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.187 12.089 1.919 0.50 0.00 H new ATOM 0 HZ APHE A 25 -4.697 12.961 0.402 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -7.907 13.314 0.652 0.50 0.00 H new ATOM 717 N AASN A 26 -9.437 8.371 1.752 0.50 0.00 N ATOM 718 N BASN A 26 -9.890 8.077 1.480 0.50 0.00 N ATOM 719 CA AASN A 26 -10.784 8.628 2.254 0.50 0.00 C ATOM 720 CA BASN A 26 -11.288 8.492 1.512 0.50 0.00 C ATOM 721 C AASN A 26 -11.189 10.078 2.008 0.50 0.00 C ATOM 722 C BASN A 26 -11.404 10.013 1.514 0.50 0.00 C ATOM 723 O AASN A 26 -10.563 11.004 2.526 0.50 0.00 O ATOM 724 O BASN A 26 -10.786 10.693 2.333 0.50 0.00 O ATOM 725 CB AASN A 26 -10.862 8.309 3.748 0.50 0.00 C ATOM 726 CB BASN A 26 -11.985 7.915 2.745 0.50 0.00 C ATOM 727 CG AASN A 26 -12.276 8.404 4.286 0.50 0.00 C ATOM 728 CG BASN A 26 -13.463 8.250 2.784 0.50 0.00 C ATOM 729 OD1AASN A 26 -12.662 9.414 4.877 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.991 8.886 1.873 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.059 7.350 4.082 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.140 7.820 3.843 0.50 0.00 N ATOM 0 H AASN A 26 -8.691 8.599 2.409 0.50 0.00 H new ATOM 0 H BASN A 26 -9.392 8.206 2.361 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.476 7.981 1.715 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.775 8.109 0.615 0.50 0.00 H new ATOM 0 HB2AASN A 26 -10.476 7.305 3.923 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.860 6.832 2.756 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.220 8.997 4.298 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.504 8.300 3.644 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.021 7.357 4.420 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.138 8.014 3.923 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.698 6.534 3.587 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.662 7.296 4.576 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.238 10.267 1.215 0.50 0.00 N ATOM 746 N BHIS A 27 -12.200 10.542 0.591 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.728 11.606 0.902 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.399 11.982 0.486 0.50 0.00 C ATOM 749 C AHIS A 27 -13.809 12.033 1.888 0.50 0.00 C ATOM 750 C BHIS A 27 -13.288 12.491 1.617 0.50 0.00 C ATOM 751 O AHIS A 27 -14.562 12.973 1.631 0.50 0.00 O ATOM 752 O BHIS A 27 -13.311 13.688 1.908 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.275 11.649 -0.525 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.020 12.337 -0.866 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.578 10.929 -0.690 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.233 11.523 -1.199 0.50 0.00 C ATOM 757 ND1AHIS A 27 -15.837 11.288 -0.345 0.50 0.00 N flip ATOM 758 ND1BHIS A 27 -15.438 11.667 -0.544 0.50 0.00 N ATOM 759 CD2AHIS A 27 -14.681 9.682 -1.269 0.50 0.00 C flip ATOM 760 CD2BHIS A 27 -14.423 10.556 -2.125 0.50 0.00 C ATOM 761 CE1AHIS A 27 -16.669 10.261 -0.720 0.50 0.00 C flip ATOM 762 CE1BHIS A 27 -16.315 10.821 -1.052 0.50 0.00 C ATOM 763 NE2AHIS A 27 -15.947 9.305 -1.275 0.50 0.00 N flip ATOM 764 NE2BHIS A 27 -15.725 10.134 -2.015 0.50 0.00 N ATOM 0 H AHIS A 27 -12.765 9.512 0.777 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.718 9.994 -0.096 0.50 0.00 H new ATOM 0 HA AHIS A 27 -11.893 12.301 0.984 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.425 12.465 0.567 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.404 12.689 -0.825 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.290 13.393 -0.867 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -12.540 11.212 -1.200 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.273 12.198 -1.648 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -16.116 12.158 0.108 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -13.856 9.104 -1.657 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -13.687 10.184 -2.822 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -17.740 10.239 -0.583 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -17.341 10.709 -0.734 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -16.165 9.410 -2.583 0.50 0.00 H new ATOM 779 N AILE A 28 -13.884 11.333 3.016 0.50 0.00 N ATOM 780 N BILE A 28 -14.017 11.578 2.247 0.50 0.00 N ATOM 781 CA AILE A 28 -14.875 11.642 4.040 0.50 0.00 C ATOM 782 CA BILE A 28 -14.906 11.936 3.344 0.50 0.00 C ATOM 783 C AILE A 28 -14.232 12.336 5.236 0.50 0.00 C ATOM 784 C BILE A 28 -14.118 12.214 4.622 0.50 0.00 C ATOM 785 O AILE A 28 -14.823 13.233 5.839 0.50 0.00 O ATOM 786 O BILE A 28 -14.333 13.227 5.289 0.50 0.00 O ATOM 787 CB AILE A 28 -15.596 10.372 4.526 0.50 0.00 C ATOM 788 CB BILE A 28 -15.935 10.823 3.622 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.355 9.716 3.370 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.765 10.543 2.366 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.546 10.704 5.668 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.836 11.212 4.783 0.50 0.00 C ATOM 793 CD1AILE A 28 -17.223 8.555 3.799 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.060 9.816 2.650 0.50 0.00 C ATOM 0 H AILE A 28 -13.272 10.550 3.243 0.50 0.00 H new ATOM 0 H BILE A 28 -14.010 10.584 2.017 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.603 12.312 3.582 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.434 12.840 3.040 0.50 0.00 H new ATOM 0 HB AILE A 28 -14.850 9.668 4.893 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.400 9.913 3.893 0.50 0.00 H new ATOM 0 HG12AILE A 28 -16.979 10.466 2.884 0.50 0.00 H new ATOM 0 HG12BILE A 28 -16.989 11.487 1.870 0.50 0.00 H new ATOM 0 HG13AILE A 28 -15.638 9.368 2.626 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.170 9.951 1.671 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.048 9.795 6.000 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.557 10.416 4.967 0.50 0.00 H new ATOM 0 HG22AILE A 28 -15.982 11.131 6.498 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.231 11.367 5.677 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.289 11.424 5.325 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.366 12.133 4.539 0.50 0.00 H new ATOM 0 HD11AILE A 28 -17.731 8.139 2.929 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.597 9.651 1.716 0.50 0.00 H new ATOM 0 HD12AILE A 28 -16.602 7.786 4.258 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.843 8.856 3.119 0.50 0.00 H new ATOM 0 HD13AILE A 28 -17.964 8.901 4.520 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.675 10.416 3.320 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.016 11.918 5.572 0.50 0.00 N ATOM 818 N BTHR A 29 -13.206 11.308 4.956 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.291 12.498 6.695 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.384 11.455 6.151 0.50 0.00 C ATOM 821 C ATHR A 29 -10.803 12.618 6.387 0.50 0.00 C ATOM 822 C BTHR A 29 -11.094 12.206 5.843 0.50 0.00 C ATOM 823 O ATHR A 29 -9.968 12.596 7.291 0.50 0.00 O ATOM 824 O BTHR A 29 -10.484 12.798 6.734 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.474 11.662 7.976 0.50 0.00 C ATOM 826 CB BTHR A 29 -12.034 10.085 6.763 0.50 0.00 C ATOM 827 OG1ATHR A 29 -12.182 10.286 7.707 0.50 0.00 O ATOM 828 OG1BTHR A 29 -11.546 9.204 5.746 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.892 11.791 8.510 0.50 0.00 C ATOM 830 CG2BTHR A 29 -13.249 9.467 7.439 0.50 0.00 C ATOM 0 H ATHR A 29 -12.512 11.179 5.082 0.50 0.00 H new ATOM 0 H BTHR A 29 -13.017 10.464 4.416 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.706 13.493 6.858 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.971 12.027 6.870 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.785 12.039 8.731 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.259 10.235 7.514 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -12.428 10.074 6.782 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -11.324 8.336 6.144 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.996 11.192 9.415 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.977 8.501 7.863 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.100 12.836 8.741 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.598 10.127 8.233 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.598 11.438 7.758 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -14.043 9.330 6.705 0.50 0.00 H new ATOM 845 N AASN A 30 -10.477 12.744 5.105 0.50 0.00 N ATOM 846 N BASN A 30 -10.686 12.180 4.580 0.50 0.00 N ATOM 847 CA AASN A 30 -9.088 12.866 4.678 0.50 0.00 C ATOM 848 CA BASN A 30 -9.468 12.860 4.155 0.50 0.00 C ATOM 849 C AASN A 30 -8.214 11.819 5.361 0.50 0.00 C ATOM 850 C BASN A 30 -8.235 12.192 4.758 0.50 0.00 C ATOM 851 O AASN A 30 -7.020 12.030 5.562 0.50 0.00 O ATOM 852 O BASN A 30 -7.247 12.857 5.070 0.50 0.00 O ATOM 853 CB AASN A 30 -8.560 14.268 4.986 0.50 0.00 C ATOM 854 CB BASN A 30 -9.514 14.334 4.563 0.50 0.00 C ATOM 855 CG AASN A 30 -9.649 15.322 4.934 0.50 0.00 C ATOM 856 CG BASN A 30 -8.866 15.240 3.532 0.50 0.00 C ATOM 857 OD1AASN A 30 -9.815 16.108 5.867 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.407 16.288 3.185 0.50 0.00 O ATOM 859 ND2AASN A 30 -10.399 15.343 3.838 0.50 0.00 N ATOM 860 ND2BASN A 30 -7.699 14.836 3.041 0.50 0.00 N ATOM 0 H AASN A 30 -11.156 12.764 4.344 0.50 0.00 H new ATOM 0 H BASN A 30 -11.181 11.695 3.832 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.049 12.699 3.602 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.402 12.792 3.069 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.102 14.271 5.975 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.551 14.636 4.707 0.50 0.00 H new ATOM 0 HB3AASN A 30 -7.777 14.523 4.272 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.009 14.459 5.521 0.50 0.00 H new ATOM 0 HD21AASN A 30 -11.148 16.030 3.745 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.214 15.404 2.346 0.50 0.00 H new ATOM 0 HD22AASN A 30 -10.226 14.673 3.089 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.288 13.958 3.359 0.50 0.00 H new ATOM 873 N AALA A 31 -8.820 10.689 5.714 0.50 0.00 N ATOM 874 N BALA A 31 -8.300 10.875 4.915 0.50 0.00 N ATOM 875 CA AALA A 31 -8.097 9.608 6.372 0.50 0.00 C ATOM 876 CA BALA A 31 -7.188 10.118 5.476 0.50 0.00 C ATOM 877 C AALA A 31 -7.281 8.802 5.367 0.50 0.00 C ATOM 878 C BALA A 31 -6.816 8.943 4.579 0.50 0.00 C ATOM 879 O AALA A 31 -7.740 8.529 4.258 0.50 0.00 O ATOM 880 O BALA A 31 -7.677 8.339 3.939 0.50 0.00 O ATOM 881 CB AALA A 31 -9.066 8.702 7.116 0.50 0.00 C ATOM 882 CB BALA A 31 -7.537 9.626 6.873 0.50 0.00 C ATOM 0 H AALA A 31 -9.809 10.499 5.555 0.50 0.00 H new ATOM 0 H BALA A 31 -9.110 10.310 4.662 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.406 10.050 7.090 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.325 10.781 5.540 0.50 0.00 H new ATOM 0 HB1AALA A 31 -8.513 7.899 7.603 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.698 9.062 7.280 0.50 0.00 H new ATOM 0 HB2AALA A 31 -9.601 9.281 7.868 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.748 10.480 7.517 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.779 8.275 6.411 0.50 0.00 H new ATOM 0 HB3BALA A 31 -8.416 8.983 6.823 0.50 0.00 H new ATOM 893 N ASER A 32 -6.069 8.427 5.764 0.50 0.00 N ATOM 894 N BSER A 32 -5.526 8.622 4.534 0.50 0.00 N ATOM 895 CA ASER A 32 -5.187 7.656 4.894 0.50 0.00 C ATOM 896 CA BSER A 32 -5.039 7.523 3.710 0.50 0.00 C ATOM 897 C ASER A 32 -4.603 6.458 5.638 0.50 0.00 C ATOM 898 C BSER A 32 -4.687 6.315 4.571 0.50 0.00 C ATOM 899 O ASER A 32 -4.076 6.596 6.742 0.50 0.00 O ATOM 900 O BSER A 32 -4.468 6.441 5.777 0.50 0.00 O ATOM 901 CB ASER A 32 -4.058 8.542 4.363 0.50 0.00 C ATOM 902 CB BSER A 32 -3.815 7.963 2.906 0.50 0.00 C ATOM 903 OG ASER A 32 -2.914 7.770 4.040 0.50 0.00 O ATOM 904 OG BSER A 32 -3.048 8.916 3.624 0.50 0.00 O ATOM 0 H ASER A 32 -5.676 8.644 6.680 0.50 0.00 H new ATOM 0 H BSER A 32 -4.800 9.109 5.059 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.776 7.288 4.054 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.834 7.238 3.021 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.399 9.080 3.479 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.198 7.095 2.674 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.796 9.291 5.111 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.135 8.390 1.956 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.207 8.358 3.702 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.270 9.180 3.089 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.702 5.284 5.024 0.50 0.00 N ATOM 916 N BGLN A 33 -4.635 5.144 3.944 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.186 4.060 5.628 0.50 0.00 C ATOM 918 CA BGLN A 33 -4.312 3.911 4.653 0.50 0.00 C ATOM 919 C AGLN A 33 -3.507 3.182 4.582 0.50 0.00 C ATOM 920 C BGLN A 33 -3.991 2.788 3.673 0.50 0.00 C ATOM 921 O AGLN A 33 -3.523 3.493 3.390 0.50 0.00 O ATOM 922 O BGLN A 33 -4.794 2.466 2.797 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.315 3.284 6.306 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.474 3.497 5.558 0.50 0.00 C ATOM 925 CG AGLN A 33 -6.570 4.113 6.536 0.50 0.00 C ATOM 926 CG BGLN A 33 -5.074 2.525 6.656 0.50 0.00 C ATOM 927 CD AGLN A 33 -7.499 3.493 7.562 0.50 0.00 C ATOM 928 CD BGLN A 33 -6.108 2.435 7.761 0.50 0.00 C ATOM 929 OE1AGLN A 33 -7.686 4.033 8.653 0.50 0.00 O ATOM 930 OE1BGLN A 33 -6.136 3.263 8.672 0.50 0.00 O ATOM 931 NE2AGLN A 33 -8.086 2.353 7.217 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.967 1.425 7.686 0.50 0.00 N ATOM 0 H AGLN A 33 -5.134 5.154 4.109 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.812 5.023 2.947 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.446 4.340 6.378 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.431 4.096 5.267 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -5.568 2.418 5.694 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -5.905 4.389 6.013 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -4.960 2.904 7.264 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -6.254 3.042 4.948 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -6.285 5.112 6.866 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -4.923 1.536 6.223 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -7.103 4.229 5.592 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -4.120 2.836 7.081 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.902 1.941 6.302 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.908 0.762 6.914 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.721 1.889 7.867 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.686 1.313 8.401 0.50 0.00 H new ATOM 949 N APHE A 34 -2.909 2.087 5.036 0.50 0.00 N ATOM 950 N BPHE A 34 -2.811 2.195 3.825 0.50 0.00 N ATOM 951 CA APHE A 34 -2.222 1.163 4.140 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.384 1.108 2.953 0.50 0.00 C ATOM 953 C APHE A 34 -2.721 -0.264 4.342 0.50 0.00 C ATOM 954 C BPHE A 34 -3.261 -0.125 3.149 0.50 0.00 C ATOM 955 O APHE A 34 -1.966 -1.224 4.195 0.50 0.00 O ATOM 956 O BPHE A 34 -3.559 -0.845 2.196 0.50 0.00 O ATOM 957 CB APHE A 34 -0.711 1.223 4.373 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.921 0.754 3.224 0.50 0.00 C ATOM 959 CG APHE A 34 0.060 1.704 3.177 0.50 0.00 C ATOM 960 CG BPHE A 34 0.040 1.853 2.869 0.50 0.00 C ATOM 961 CD1APHE A 34 0.122 0.943 2.022 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.338 2.128 1.544 0.50 0.00 C ATOM 963 CD2APHE A 34 0.725 2.921 3.208 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.640 2.613 3.859 0.50 0.00 C ATOM 965 CE1APHE A 34 0.830 1.382 0.920 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.220 3.140 1.214 0.50 0.00 C ATOM 967 CE2APHE A 34 1.434 3.366 2.109 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.523 3.626 3.535 0.50 0.00 C ATOM 969 CZ APHE A 34 1.488 2.596 0.965 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.814 3.890 2.211 0.50 0.00 C ATOM 0 H APHE A 34 -2.886 1.817 6.019 0.50 0.00 H new ATOM 0 H BPHE A 34 -2.134 2.449 4.544 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.438 1.463 3.115 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.485 1.443 1.921 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.507 1.883 5.216 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.805 0.508 4.280 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.354 0.231 4.651 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.662 -0.141 2.658 0.50 0.00 H new ATOM 0 HD1APHE A 34 -0.390 -0.007 1.982 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.124 1.545 0.761 0.50 0.00 H new ATOM 0 HD2APHE A 34 0.688 3.527 4.101 0.50 0.00 H new ATOM 0 HD2BPHE A 34 0.415 2.412 4.896 0.50 0.00 H new ATOM 0 HE1APHE A 34 0.869 0.778 0.026 0.50 0.00 H new ATOM 0 HE1BPHE A 34 1.445 3.344 0.178 0.50 0.00 H new ATOM 0 HE2APHE A 34 1.946 4.316 2.145 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.985 4.211 4.317 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.044 2.942 0.106 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.504 4.681 1.956 0.50 0.00 H new ATOM 989 N AGLU A 35 -4.001 -0.395 4.679 0.50 0.00 N ATOM 990 N BGLU A 35 -3.672 -0.361 4.391 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.602 -1.704 4.901 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.515 -1.507 4.712 0.50 0.00 C ATOM 993 C AGLU A 35 -6.081 -1.697 4.521 0.50 0.00 C ATOM 994 C BGLU A 35 -5.978 -1.211 4.396 0.50 0.00 C ATOM 995 O AGLU A 35 -6.699 -0.638 4.414 0.50 0.00 O ATOM 996 O BGLU A 35 -6.388 -0.052 4.334 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.442 -2.121 6.365 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.365 -1.880 6.189 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.156 -2.879 6.645 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.924 -1.891 6.671 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.978 -1.958 6.895 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.513 -0.578 7.307 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -0.827 -2.432 6.805 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -2.719 -0.421 8.530 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -2.208 -0.764 7.182 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -1.984 0.293 6.585 0.50 0.00 O ATOM 0 H AGLU A 35 -4.641 0.390 4.804 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.435 0.226 5.191 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.086 -2.424 4.266 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.192 -2.348 4.098 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.473 -1.231 6.993 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.936 -1.175 6.793 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.290 -2.743 6.652 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.801 -2.865 6.352 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.300 -3.522 7.513 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.792 -2.697 7.393 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.931 -3.529 5.800 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.265 -2.105 5.830 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.639 -2.886 4.320 0.50 0.00 N ATOM 1020 N BARG A 36 -6.760 -2.268 4.199 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.044 -3.016 3.950 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.176 -2.123 3.887 0.50 0.00 C ATOM 1023 C AARG A 36 -8.935 -2.238 4.915 0.50 0.00 C ATOM 1024 C BARG A 36 -9.001 -1.981 5.164 0.50 0.00 C ATOM 1025 O AARG A 36 -9.107 -2.609 6.076 0.50 0.00 O ATOM 1026 O BARG A 36 -9.132 -2.915 5.953 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.453 -4.490 3.937 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.669 -3.326 3.080 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.719 -4.762 3.140 0.50 0.00 C ATOM 1030 CG BARG A 36 -10.063 -3.143 2.502 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.463 -4.692 1.643 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.770 -4.475 2.318 0.50 0.00 C ATOM 1033 NE AARG A 36 -9.884 -5.910 0.957 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.074 -5.338 1.367 0.50 0.00 N ATOM 1035 CZ AARG A 36 -9.812 -6.074 -0.360 0.50 0.00 C ATOM 1036 CZ BARG A 36 -10.604 -6.440 0.848 0.50 0.00 C ATOM 1037 NH1AARG A 36 -9.338 -5.102 -1.128 0.50 0.00 N ATOM 1038 NH1BARG A 36 -11.832 -6.810 1.185 0.50 0.00 N ATOM 1039 NH2AARG A 36 -10.216 -7.212 -0.910 0.50 0.00 N ATOM 1040 NH2BARG A 36 -9.908 -7.171 -0.012 0.50 0.00 N ATOM 0 H AARG A 36 -6.141 -3.772 4.407 0.50 0.00 H new ATOM 0 H BARG A 36 -6.436 -3.234 4.250 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.172 -2.600 2.950 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.301 -1.219 3.291 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.637 -5.081 3.521 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.970 -3.518 2.266 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.600 -4.827 4.963 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.663 -4.209 3.720 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.107 -5.747 3.398 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.651 -2.506 3.163 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.485 -4.036 3.413 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.996 -2.630 1.542 0.50 0.00 H new ATOM 0 HD2AARG A 36 -9.995 -3.838 1.224 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.844 -4.982 3.280 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.401 -4.524 1.465 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.788 -4.300 1.971 0.50 0.00 H new ATOM 0 HE AARG A 36 -10.253 -6.677 1.519 0.50 0.00 H new ATOM 0 HE BARG A 36 -9.128 -5.080 1.086 0.50 0.00 H new ATOM 0 HH11AARG A 36 -9.028 -4.226 -0.708 0.50 0.00 H new ATOM 0 HH11BARG A 36 -12.371 -6.248 1.844 0.50 0.00 H new ATOM 0 HH12AARG A 36 -9.284 -5.231 -2.138 0.50 0.00 H new ATOM 0 HH12BARG A 36 -12.237 -7.656 0.785 0.50 0.00 H new ATOM 0 HH21AARG A 36 -10.582 -7.961 -0.322 0.50 0.00 H new ATOM 0 HH21BARG A 36 -8.964 -6.887 -0.276 0.50 0.00 H new ATOM 0 HH22AARG A 36 -10.161 -7.338 -1.921 0.50 0.00 H new ATOM 0 HH22BARG A 36 -10.316 -8.017 -0.410 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.514 -1.133 4.424 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.572 -0.784 5.368 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.396 -0.280 5.225 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.392 -0.491 6.547 0.50 0.00 C ATOM 1071 C APRO A 37 -11.727 -0.956 5.540 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.726 -1.231 6.522 0.50 0.00 C ATOM 1073 O APRO A 37 -12.272 -1.689 4.717 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.286 -1.483 5.457 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.616 0.942 4.329 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.618 1.020 6.456 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.403 0.441 2.944 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.480 1.337 5.007 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.352 -0.631 3.049 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.457 0.375 4.469 0.50 0.00 C ATOM 0 HA APRO A 37 -9.961 -0.042 6.196 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.907 -0.808 7.470 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.620 1.348 4.453 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.604 1.296 6.829 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.917 1.742 4.572 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.887 1.566 7.052 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.327 0.042 2.527 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.433 1.223 4.490 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.076 1.245 2.284 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.160 2.369 4.862 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.507 -1.419 2.312 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.666 0.103 3.434 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.352 -0.231 2.882 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.454 0.802 4.490 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.245 -0.703 6.738 0.50 0.00 N ATOM 1096 N BSER A 38 -12.227 -1.578 7.704 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.510 -1.290 7.164 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.493 -2.291 7.818 0.50 0.00 C ATOM 1099 C ASER A 38 -14.559 -0.207 7.400 0.50 0.00 C ATOM 1100 C BSER A 38 -14.664 -1.383 7.449 0.50 0.00 C ATOM 1101 O ASER A 38 -14.253 0.986 7.373 0.50 0.00 O ATOM 1102 O BSER A 38 -15.292 -1.554 6.405 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.311 -2.110 8.440 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.675 -2.827 9.240 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.464 -2.879 8.734 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.607 -1.780 10.191 0.50 0.00 O ATOM 0 H ASER A 38 -11.808 -0.095 7.431 0.50 0.00 H new ATOM 0 H BSER A 38 -11.775 -1.377 8.596 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.864 -1.947 6.370 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.473 -3.129 7.122 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.450 -2.769 8.323 0.50 0.00 H new ATOM 0 HB2BSER A 38 -14.636 -3.334 9.321 0.50 0.00 H new ATOM 0 HB3ASER A 38 -13.091 -1.444 9.274 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.905 -3.568 9.454 0.50 0.00 H new ATOM 0 HG ASER A 38 -14.312 -3.396 9.553 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.728 -2.148 11.091 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.796 -0.632 7.630 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.950 -0.419 8.318 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.873 0.312 7.868 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.045 0.502 8.068 0.50 0.00 C ATOM 1121 C AGLY A 39 -17.908 -0.219 8.839 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.861 0.787 9.313 0.50 0.00 C ATOM 1123 O AGLY A 39 -17.712 -0.097 10.047 0.50 0.00 O ATOM 1124 O BGLY A 39 -16.975 1.935 9.738 0.50 0.00 O ATOM 0 H AGLY A 39 -16.073 -1.613 7.656 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.445 -0.259 9.189 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -16.457 1.241 8.258 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.646 1.438 7.677 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.357 0.552 6.921 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.696 0.087 7.298 0.50 0.00 H new