USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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= 0.828 K(o=-0.51,f=-11!) USER MOD Set 1.2: A 26 ASN B: amide:sc= 0.0965 K(o=-0.51,f=-11!) USER MOD Set 1.3: A 29 THR OG1A: rot 53:sc= 0.0957 USER MOD Set 1.4: A 29 THR OG1B: rot 180:sc= -1.53 USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ -139:sc= -0.55 (180deg=-2.81!) 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= -0.126 K(o=-0.13,f=-1.9) USER MOD Single : A 18 ASN B: amide:sc= -0.0904 K(o=-0.09,f=-1.6) USER MOD Single : A 19 SER OG A: rot 58:sc= 0.0124 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.0969 USER MOD Single : A 23 TYR OH A: rot 86:sc= 1.2 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A: no HD1:sc= -1.58 K(o=-1.6,f=-0.33) USER MOD Single : A 27 HIS B: no HD1:sc= -2.39 X(o=-2.4,f=-2.7) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.445 X(o=0.45,f=-0.041) USER MOD Single : A 32 SER OG A: rot 45:sc= 1.14 USER MOD Single : A 32 SER OG B: rot -3:sc= -0.121 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 33 GLN B: amide:sc= 0.755 K(o=0.76,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.135 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.282 USER MOD ----------------------------------------------------------------- ATOM 67 N ALEU A 7 -14.303 -2.935 0.342 0.20 0.00 N ATOM 68 N BLEU A 7 -14.726 -3.271 -0.428 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.237 -1.763 1.207 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.229 -2.183 0.409 0.80 0.00 C ATOM 71 C ALEU A 7 -15.629 -1.185 1.452 0.20 0.00 C ATOM 72 C BLEU A 7 -15.382 -1.358 0.970 0.80 0.00 C ATOM 73 O ALEU A 7 -16.527 -1.293 0.616 0.20 0.00 O ATOM 74 O BLEU A 7 -16.472 -1.300 0.402 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.333 -0.695 0.587 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.287 -1.285 -0.397 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.159 -1.212 -0.244 0.20 0.00 C ATOM 78 CG BLEU A 7 -11.799 -1.419 -0.079 0.80 0.00 C ATOM 79 CD1ALEU A 7 -11.526 -0.079 -1.036 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.313 -2.827 -0.381 0.80 0.00 C ATOM 81 CD2ALEU A 7 -11.125 -1.882 0.650 0.20 0.00 C ATOM 82 CD2BLEU A 7 -10.991 -0.394 -0.864 0.80 0.00 C ATOM 0 HA ALEU A 7 -13.819 -2.074 2.164 0.20 0.00 H new ATOM 0 HA BLEU A 7 -13.680 -2.619 1.244 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -13.945 -0.052 -0.045 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.432 -1.497 -1.456 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -12.938 -0.071 1.389 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.581 -0.248 -0.237 0.80 0.00 H new ATOM 0 HG ALEU A 7 -12.537 -1.954 -0.948 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.656 -1.228 0.985 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -10.692 -0.466 -1.621 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.251 -2.903 -0.148 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.268 0.356 -1.705 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -11.869 -3.542 0.225 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.163 0.686 -0.350 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -11.470 -3.047 -1.437 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -10.297 -2.244 0.041 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -9.933 -0.504 -0.625 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -10.752 -1.162 1.378 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.140 -0.554 -1.932 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -11.585 -2.721 1.172 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.320 0.610 -0.598 0.80 0.00 H new ATOM 105 N APRO A 8 -15.813 -0.558 2.621 0.20 0.00 N ATOM 106 N BPRO A 8 -15.136 -0.699 2.114 0.80 0.00 N ATOM 107 CA APRO A 8 -17.092 0.049 3.001 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.141 0.136 2.776 0.80 0.00 C ATOM 109 C APRO A 8 -17.412 1.291 2.174 0.20 0.00 C ATOM 110 C BPRO A 8 -16.442 1.411 1.994 0.80 0.00 C ATOM 111 O APRO A 8 -16.602 1.757 1.372 0.20 0.00 O ATOM 112 O BPRO A 8 -15.680 1.828 1.123 0.80 0.00 O ATOM 113 CB APRO A 8 -16.882 0.426 4.470 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.491 0.475 4.119 0.80 0.00 C ATOM 115 CG APRO A 8 -15.410 0.593 4.614 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.025 0.367 3.868 0.80 0.00 C ATOM 117 CD APRO A 8 -14.786 -0.393 3.666 0.20 0.00 C ATOM 118 CD BPRO A 8 -13.860 -0.723 2.848 0.80 0.00 C ATOM 0 HA APRO A 8 -17.930 -0.628 2.835 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.099 -0.375 2.867 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.411 1.345 4.722 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -15.763 1.477 4.449 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.259 -0.351 5.135 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -15.811 -0.215 4.899 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.107 1.612 4.372 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.621 1.310 3.500 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.094 0.402 5.640 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.488 0.127 4.786 0.80 0.00 H new ATOM 0 HD2APRO A 8 -13.850 -0.017 3.254 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.013 -0.532 2.189 0.80 0.00 H new ATOM 0 HD3APRO A 8 -14.560 -1.338 4.160 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -13.685 -1.691 3.318 0.80 0.00 H new ATOM 133 N APRO A 9 -18.620 1.838 2.373 0.20 0.00 N ATOM 134 N BPRO A 9 -17.579 2.046 2.311 0.80 0.00 N ATOM 135 CA APRO A 9 -19.073 3.033 1.655 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.007 3.283 1.649 0.80 0.00 C ATOM 137 C APRO A 9 -18.325 4.289 2.086 0.20 0.00 C ATOM 138 C BPRO A 9 -17.126 4.472 2.018 0.80 0.00 C ATOM 139 O APRO A 9 -18.747 4.989 3.005 0.20 0.00 O ATOM 140 O BPRO A 9 -16.661 4.583 3.151 0.80 0.00 O ATOM 141 CB APRO A 9 -20.552 3.135 2.036 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.432 3.489 2.172 0.80 0.00 C ATOM 143 CG APRO A 9 -20.655 2.440 3.350 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.461 2.785 3.483 0.80 0.00 C ATOM 145 CD APRO A 9 -19.634 1.335 3.314 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.537 1.606 3.340 0.80 0.00 C ATOM 0 HA APRO A 9 -18.898 2.954 0.582 0.20 0.00 H new ATOM 0 HA BPRO A 9 -17.943 3.209 0.563 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.870 4.175 2.112 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.662 4.548 2.287 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.187 2.662 1.287 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.170 3.075 1.484 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.457 3.128 4.172 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.132 3.443 4.287 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.658 2.040 3.503 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.472 2.461 3.730 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.209 1.148 4.300 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.037 1.371 4.280 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.070 0.396 2.971 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.074 0.709 3.031 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.211 4.568 1.416 0.20 0.00 N ATOM 162 N BGLY A 10 -16.901 5.357 1.052 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.421 5.740 1.745 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.075 6.525 1.295 0.80 0.00 C ATOM 165 C AGLY A 10 -14.964 5.588 1.350 0.20 0.00 C ATOM 166 C BGLY A 10 -14.625 6.300 0.922 0.80 0.00 C ATOM 167 O AGLY A 10 -14.238 6.574 1.243 0.20 0.00 O ATOM 168 O BGLY A 10 -13.929 7.228 0.509 0.80 0.00 O ATOM 0 H AGLY A 10 -16.842 4.003 0.651 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.276 5.286 0.106 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.842 6.611 1.242 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.467 7.367 0.725 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.486 5.929 2.817 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.137 6.797 2.349 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.540 4.349 1.134 0.20 0.00 N ATOM 176 N BTRP A 11 -14.163 5.062 1.066 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.161 4.071 0.751 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.784 4.717 0.743 0.80 0.00 C ATOM 179 C ATRP A 11 -13.077 3.633 -0.708 0.20 0.00 C ATOM 180 C BTRP A 11 -12.645 4.357 -0.731 0.80 0.00 C ATOM 181 O ATRP A 11 -13.933 2.891 -1.191 0.20 0.00 O ATOM 182 O BTRP A 11 -13.539 3.747 -1.317 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.566 2.990 1.655 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.310 3.551 1.613 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.135 3.505 2.993 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.324 3.859 3.078 0.80 0.00 C ATOM 187 CD1ATRP A 11 -12.854 3.471 4.154 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.395 3.782 3.923 0.80 0.00 C ATOM 189 CD2ATRP A 11 -10.889 4.137 3.310 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.215 4.295 3.872 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.130 4.041 5.174 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.017 4.144 5.193 0.80 0.00 N ATOM 193 CE2ATRP A 11 -10.920 4.456 4.681 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.685 4.463 5.189 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.749 4.458 2.568 0.20 0.00 C ATOM 196 CE3BTRP A 11 -9.870 4.560 3.599 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -9.857 5.084 5.323 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -10.858 4.882 6.227 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.695 5.082 3.207 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.050 4.977 4.630 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.753 5.389 4.573 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.547 5.135 5.931 0.80 0.00 C ATOM 0 H ATRP A 11 -15.130 3.521 1.217 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.724 4.281 1.405 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.587 4.990 0.868 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.161 5.588 0.946 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.303 2.200 1.798 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -12.945 2.685 1.425 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.709 2.539 1.154 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.298 3.274 1.317 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -13.846 3.057 4.256 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.391 3.481 3.635 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.442 4.139 6.140 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.630 4.171 6.008 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.693 4.223 1.515 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.478 4.441 2.600 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -9.901 5.322 6.375 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.238 5.003 7.231 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.810 5.338 2.643 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.009 5.185 4.430 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -7.911 5.875 5.043 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -8.881 5.463 6.716 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.045 4.097 -1.404 0.20 0.00 N ATOM 224 N BGLU A 12 -11.519 4.739 -1.326 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.854 3.753 -2.808 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.266 4.456 -2.735 0.80 0.00 C ATOM 227 C AGLU A 12 -10.459 3.180 -3.043 0.20 0.00 C ATOM 228 C BGLU A 12 -9.873 3.861 -2.929 0.80 0.00 C ATOM 229 O AGLU A 12 -9.538 3.413 -2.259 0.20 0.00 O ATOM 230 O BGLU A 12 -8.904 4.311 -2.317 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.066 4.984 -3.691 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.408 5.732 -3.568 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.904 5.962 -3.662 0.20 0.00 C ATOM 234 CG BGLU A 12 -11.196 5.512 -5.056 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.285 6.172 -5.031 0.20 0.00 C ATOM 236 CD BGLU A 12 -11.798 4.210 -5.546 0.80 0.00 C ATOM 237 OE1AGLU A 12 -9.890 7.317 -5.335 0.20 0.00 O ATOM 238 OE1BGLU A 12 -12.999 3.981 -5.296 0.80 0.00 O ATOM 239 OE2AGLU A 12 -10.197 5.191 -5.800 0.20 0.00 O ATOM 240 OE2BGLU A 12 -11.066 3.419 -6.179 0.80 0.00 O ATOM 0 H AGLU A 12 -11.328 4.712 -1.019 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.768 5.244 -0.855 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.590 2.993 -3.073 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.004 3.727 -3.071 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.231 4.659 -4.718 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -12.401 6.151 -3.409 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.971 5.499 -3.370 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.690 6.470 -3.212 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.249 6.920 -3.273 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -11.637 6.342 -5.608 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.142 5.595 -2.975 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -10.128 5.517 -5.271 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.308 2.428 -4.127 0.20 0.00 N ATOM 254 N BLYS A 13 -9.783 2.849 -3.782 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.028 1.822 -4.468 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.511 2.191 -4.058 0.80 0.00 C ATOM 257 C ALYS A 13 -8.191 2.763 -5.330 0.20 0.00 C ATOM 258 C BLYS A 13 -7.717 2.962 -5.109 0.80 0.00 C ATOM 259 O ALYS A 13 -8.633 3.205 -6.390 0.20 0.00 O ATOM 260 O BLYS A 13 -8.196 3.194 -6.217 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.246 0.498 -5.205 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.748 0.756 -4.537 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.119 -0.502 -5.006 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.474 0.026 -4.923 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.490 -1.873 -5.547 0.20 0.00 C ATOM 266 CD BLYS A 13 -7.775 -1.277 -5.644 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.828 -2.984 -4.747 0.20 0.00 C ATOM 268 CE BLYS A 13 -7.942 -2.429 -4.666 0.80 0.00 C ATOM 269 NZ ALYS A 13 -8.112 -4.327 -5.321 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.666 -3.163 -4.449 0.80 0.00 N ATOM 0 H ALYS A 13 -11.059 2.223 -4.786 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.576 2.465 -4.296 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.488 1.630 -3.541 0.20 0.00 H new ATOM 0 HA BLYS A 13 -7.934 2.169 -3.133 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.181 0.052 -4.865 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.252 0.197 -3.749 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.358 0.699 -6.270 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.420 0.774 -5.395 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.220 -0.143 -5.507 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -6.867 0.666 -5.564 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.883 -0.580 -3.945 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -6.886 -0.179 -4.029 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.573 -1.997 -5.517 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.684 -1.165 -6.235 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.190 -1.947 -6.592 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -6.968 -1.504 -6.340 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -6.751 -2.821 -4.722 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.307 -2.046 -3.713 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -8.180 -2.948 -3.716 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.698 -3.118 -5.043 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -7.643 -5.056 -4.747 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -6.855 -4.185 -4.417 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -9.138 -4.494 -5.322 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.010 -2.956 -5.229 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -7.753 -4.371 -6.296 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.241 -2.861 -3.549 0.80 0.00 H new ATOM 297 N AARG A 14 -6.983 3.065 -4.866 0.20 0.00 N ATOM 298 N BARG A 14 -6.499 3.356 -4.748 0.80 0.00 N ATOM 299 CA AARG A 14 -6.087 3.955 -5.594 0.20 0.00 C ATOM 300 CA BARG A 14 -5.638 4.102 -5.659 0.80 0.00 C ATOM 301 C AARG A 14 -4.691 3.348 -5.704 0.20 0.00 C ATOM 302 C BARG A 14 -4.302 3.390 -5.850 0.80 0.00 C ATOM 303 O AARG A 14 -4.377 2.362 -5.038 0.20 0.00 O ATOM 304 O BARG A 14 -3.968 2.467 -5.107 0.80 0.00 O ATOM 305 CB AARG A 14 -6.010 5.317 -4.902 0.20 0.00 C ATOM 306 CB BARG A 14 -5.402 5.517 -5.129 0.80 0.00 C ATOM 307 CG AARG A 14 -6.938 6.359 -5.504 0.20 0.00 C ATOM 308 CG BARG A 14 -6.679 6.235 -4.721 0.80 0.00 C ATOM 309 CD AARG A 14 -6.260 7.716 -5.606 0.20 0.00 C ATOM 310 CD BARG A 14 -7.607 6.440 -5.908 0.80 0.00 C ATOM 311 NE AARG A 14 -6.605 8.410 -6.843 0.20 0.00 N ATOM 312 NE BARG A 14 -6.886 6.901 -7.093 0.80 0.00 N ATOM 313 CZ AARG A 14 -6.198 8.015 -8.043 0.20 0.00 C ATOM 314 CZ BARG A 14 -7.355 6.782 -8.330 0.80 0.00 C ATOM 315 NH1AARG A 14 -5.433 6.940 -8.169 0.20 0.00 N ATOM 316 NH1BARG A 14 -8.537 6.219 -8.544 0.80 0.00 N ATOM 317 NH2AARG A 14 -6.554 8.700 -9.124 0.20 0.00 N ATOM 318 NH2BARG A 14 -6.640 7.225 -9.355 0.80 0.00 N ATOM 0 H AARG A 14 -6.602 2.707 -3.990 0.20 0.00 H new ATOM 0 H BARG A 14 -6.087 3.171 -3.833 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.487 4.090 -6.599 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.140 4.162 -6.625 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.253 5.193 -3.847 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.733 5.467 -4.270 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.985 5.683 -4.953 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.894 6.103 -5.895 0.80 0.00 H new ATOM 0 HG2AARG A 14 -7.257 6.035 -6.495 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.192 5.658 -3.952 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.836 6.445 -4.892 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.430 7.201 -4.281 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.549 8.330 -4.753 0.20 0.00 H new ATOM 0 HD2BARG A 14 -8.117 5.504 -6.135 0.80 0.00 H new ATOM 0 HD3AARG A 14 -5.179 7.586 -5.553 0.20 0.00 H new ATOM 0 HD3BARG A 14 -8.376 7.167 -5.646 0.80 0.00 H new ATOM 0 HE AARG A 14 -7.190 9.243 -6.782 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.973 7.338 -6.963 0.80 0.00 H new ATOM 0 HH11AARG A 14 -5.155 6.412 -7.342 0.20 0.00 H new ATOM 0 HH11BARG A 14 -9.088 5.876 -7.757 0.80 0.00 H new ATOM 0 HH12AARG A 14 -5.123 6.640 -9.093 0.20 0.00 H new ATOM 0 HH12BARG A 14 -8.894 6.129 -9.495 0.80 0.00 H new ATOM 0 HH21AARG A 14 -7.140 9.530 -9.032 0.20 0.00 H new ATOM 0 HH21BARG A 14 -5.730 7.657 -9.193 0.80 0.00 H new ATOM 0 HH22AARG A 14 -6.241 8.396 -10.046 0.20 0.00 H new ATOM 0 HH22BARG A 14 -7.000 7.134 -10.305 0.80 0.00 H new ATOM 345 N AMET A 15 -3.856 3.945 -6.548 0.20 0.00 N ATOM 346 N BMET A 15 -3.541 3.824 -6.850 0.80 0.00 N ATOM 347 CA AMET A 15 -2.493 3.464 -6.742 0.20 0.00 C ATOM 348 CA BMET A 15 -2.243 3.228 -7.137 0.80 0.00 C ATOM 349 C AMET A 15 -1.486 4.598 -6.576 0.20 0.00 C ATOM 350 C BMET A 15 -1.177 4.307 -7.314 0.80 0.00 C ATOM 351 O AMET A 15 -1.866 5.752 -6.377 0.20 0.00 O ATOM 352 O BMET A 15 -1.377 5.276 -8.047 0.80 0.00 O ATOM 353 CB AMET A 15 -2.345 2.837 -8.131 0.20 0.00 C ATOM 354 CB BMET A 15 -2.322 2.361 -8.395 0.80 0.00 C ATOM 355 CG AMET A 15 -1.597 1.513 -8.123 0.20 0.00 C ATOM 356 CG BMET A 15 -0.988 1.755 -8.799 0.80 0.00 C ATOM 357 SD AMET A 15 -0.299 1.439 -9.371 0.20 0.00 S ATOM 358 SD BMET A 15 -0.972 -0.043 -8.659 0.80 0.00 S ATOM 359 CE AMET A 15 -0.426 -0.269 -9.891 0.20 0.00 C ATOM 360 CE BMET A 15 0.490 -0.443 -9.613 0.80 0.00 C ATOM 0 H AMET A 15 -4.099 4.762 -7.108 0.20 0.00 H new ATOM 0 H BMET A 15 -3.802 4.587 -7.475 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.290 2.708 -5.984 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.964 2.601 -6.290 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.336 2.683 -8.559 0.20 0.00 H new ATOM 0 HB2BMET A 15 -3.041 1.559 -8.229 0.80 0.00 H new ATOM 0 HB3AMET A 15 -1.822 3.537 -8.783 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.702 2.964 -9.219 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.158 1.355 -7.138 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.761 2.038 -9.827 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.304 0.700 -8.291 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.199 2.172 -8.172 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.316 -0.470 -10.664 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.635 -1.523 -9.621 0.80 0.00 H new ATOM 0 HE2AMET A 15 -0.248 -0.923 -9.038 0.20 0.00 H new ATOM 0 HE2BMET A 15 0.366 -0.086 -10.636 0.80 0.00 H new ATOM 0 HE3AMET A 15 -1.424 -0.455 -10.289 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.360 0.037 -9.164 0.80 0.00 H new ATOM 379 N ASER A 16 -0.204 4.261 -6.657 0.20 0.00 N ATOM 380 N BSER A 16 -0.047 4.131 -6.638 0.80 0.00 N ATOM 381 CA ASER A 16 0.858 5.252 -6.510 0.20 0.00 C ATOM 382 CA BSER A 16 1.049 5.091 -6.718 0.80 0.00 C ATOM 383 C ASER A 16 1.400 5.672 -7.872 0.20 0.00 C ATOM 384 C BSER A 16 1.557 5.218 -8.151 0.80 0.00 C ATOM 385 O ASER A 16 1.013 5.123 -8.903 0.20 0.00 O ATOM 386 O BSER A 16 1.201 4.420 -9.020 0.80 0.00 O ATOM 387 CB ASER A 16 1.992 4.691 -5.648 0.20 0.00 C ATOM 388 CB BSER A 16 2.192 4.669 -5.796 0.80 0.00 C ATOM 389 OG ASER A 16 2.598 5.713 -4.877 0.20 0.00 O ATOM 390 OG BSER A 16 2.848 5.801 -5.247 0.80 0.00 O ATOM 0 H ASER A 16 0.126 3.310 -6.823 0.20 0.00 H new ATOM 0 H BSER A 16 0.134 3.333 -6.029 0.80 0.00 H new ATOM 0 HA ASER A 16 0.438 6.130 -6.019 0.20 0.00 H new ATOM 0 HA BSER A 16 0.672 6.062 -6.397 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.602 3.916 -4.988 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.803 4.044 -4.992 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.740 4.220 -6.286 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.908 4.064 -6.352 0.80 0.00 H new ATOM 0 HG ASER A 16 3.318 5.330 -4.334 0.20 0.00 H new ATOM 0 HG BSER A 16 3.574 5.505 -4.659 0.80 0.00 H new ATOM 401 N AARG A 17 2.298 6.651 -7.867 0.20 0.00 N ATOM 402 N BARG A 17 2.391 6.224 -8.390 0.80 0.00 N ATOM 403 CA AARG A 17 2.894 7.149 -9.101 0.20 0.00 C ATOM 404 CA BARG A 17 2.948 6.456 -9.717 0.80 0.00 C ATOM 405 C AARG A 17 4.406 6.949 -9.095 0.20 0.00 C ATOM 406 C BARG A 17 4.468 6.349 -9.695 0.80 0.00 C ATOM 407 O AARG A 17 5.013 6.693 -10.134 0.20 0.00 O ATOM 408 O BARG A 17 5.094 6.041 -10.709 0.80 0.00 O ATOM 409 CB AARG A 17 2.564 8.630 -9.291 0.20 0.00 C ATOM 410 CB BARG A 17 2.529 7.833 -10.236 0.80 0.00 C ATOM 411 CG AARG A 17 3.166 9.232 -10.552 0.20 0.00 C ATOM 412 CG BARG A 17 3.258 8.254 -11.501 0.80 0.00 C ATOM 413 CD AARG A 17 3.161 10.752 -10.500 0.20 0.00 C ATOM 414 CD BARG A 17 2.853 9.654 -11.937 0.80 0.00 C ATOM 415 NE AARG A 17 2.246 11.329 -11.480 0.20 0.00 N ATOM 416 NE BARG A 17 1.404 9.837 -11.911 0.80 0.00 N ATOM 417 CZ AARG A 17 0.937 11.446 -11.285 0.20 0.00 C ATOM 418 CZ BARG A 17 0.811 11.025 -11.965 0.80 0.00 C ATOM 419 NH1AARG A 17 0.393 11.025 -10.149 0.20 0.00 N ATOM 420 NH1BARG A 17 1.541 12.130 -12.050 0.80 0.00 N ATOM 421 NH2AARG A 17 0.168 11.982 -12.223 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.512 11.109 -11.935 0.80 0.00 N ATOM 0 H AARG A 17 2.629 7.116 -7.022 0.20 0.00 H new ATOM 0 H BARG A 17 2.696 6.892 -7.682 0.80 0.00 H new ATOM 0 HA AARG A 17 2.474 6.582 -9.932 0.20 0.00 H new ATOM 0 HA BARG A 17 2.558 5.689 -10.386 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.481 8.751 -9.322 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.456 7.828 -10.429 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.923 9.187 -8.426 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.709 8.575 -9.459 0.80 0.00 H new ATOM 0 HG2AARG A 17 4.188 8.874 -10.675 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.334 8.222 -11.330 0.80 0.00 H new ATOM 0 HG3AARG A 17 2.603 8.895 -11.422 0.20 0.00 H new ATOM 0 HG3BARG A 17 3.041 7.546 -12.300 0.80 0.00 H new ATOM 0 HD2AARG A 17 2.876 11.080 -9.500 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.323 10.388 -11.282 0.80 0.00 H new ATOM 0 HD3AARG A 17 4.169 11.124 -10.682 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.224 9.842 -12.945 0.80 0.00 H new ATOM 0 HE AARG A 17 2.633 11.661 -12.363 0.20 0.00 H new ATOM 0 HE BARG A 17 0.815 9.007 -11.848 0.80 0.00 H new ATOM 0 HH11AARG A 17 0.980 10.611 -9.425 0.20 0.00 H new ATOM 0 HH11BARG A 17 2.559 12.068 -12.074 0.80 0.00 H new ATOM 0 HH12AARG A 17 -0.612 11.115 -10.001 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.084 13.041 -12.091 0.80 0.00 H new ATOM 0 HH21AARG A 17 0.581 12.306 -13.098 0.20 0.00 H new ATOM 0 HH21BARG A 17 -1.076 10.261 -11.870 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.837 12.070 -12.070 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.966 12.021 -11.976 0.80 0.00 H new ATOM 449 N AASN A 18 5.009 7.070 -7.915 0.20 0.00 N ATOM 450 N BASN A 18 5.059 6.607 -8.532 0.80 0.00 N ATOM 451 CA AASN A 18 6.450 6.902 -7.772 0.20 0.00 C ATOM 452 CA BASN A 18 6.508 6.541 -8.377 0.80 0.00 C ATOM 453 C AASN A 18 6.775 5.697 -6.896 0.20 0.00 C ATOM 454 C BASN A 18 6.972 5.097 -8.218 0.80 0.00 C ATOM 455 O AASN A 18 7.536 5.804 -5.933 0.20 0.00 O ATOM 456 O BASN A 18 7.867 4.639 -8.929 0.80 0.00 O ATOM 457 CB AASN A 18 7.074 8.167 -7.175 0.20 0.00 C ATOM 458 CB BASN A 18 6.951 7.367 -7.168 0.80 0.00 C ATOM 459 CG AASN A 18 8.580 8.198 -7.336 0.20 0.00 C ATOM 460 CG BASN A 18 8.454 7.557 -7.116 0.80 0.00 C ATOM 461 OD1AASN A 18 9.180 7.264 -7.869 0.20 0.00 O ATOM 462 OD1BASN A 18 9.181 7.074 -7.985 0.80 0.00 O ATOM 463 ND2AASN A 18 9.202 9.277 -6.876 0.20 0.00 N ATOM 464 ND2BASN A 18 8.927 8.260 -6.093 0.80 0.00 N ATOM 0 H AASN A 18 4.521 7.284 -7.045 0.20 0.00 H new ATOM 0 H BASN A 18 4.556 6.864 -7.683 0.80 0.00 H new ATOM 0 HA AASN A 18 6.871 6.729 -8.763 0.20 0.00 H new ATOM 0 HA BASN A 18 6.964 6.954 -9.277 0.80 0.00 H new ATOM 0 HB2AASN A 18 6.642 9.044 -7.656 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.465 8.342 -7.200 0.80 0.00 H new ATOM 0 HB3AASN A 18 6.823 8.228 -6.116 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.618 6.875 -6.254 0.80 0.00 H new ATOM 0 HD21AASN A 18 10.216 9.355 -6.958 0.20 0.00 H new ATOM 0 HD21BASN A 18 9.931 8.419 -6.004 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.666 10.028 -6.441 0.20 0.00 H new ATOM 0 HD22BASN A 18 8.287 8.641 -5.397 0.80 0.00 H new ATOM 477 N ASER A 19 6.192 4.552 -7.234 0.20 0.00 N ATOM 478 N BSER A 19 6.357 4.382 -7.280 0.80 0.00 N ATOM 479 CA ASER A 19 6.417 3.326 -6.475 0.20 0.00 C ATOM 480 CA BSER A 19 6.711 2.991 -7.024 0.80 0.00 C ATOM 481 C ASER A 19 5.789 2.128 -7.180 0.20 0.00 C ATOM 482 C BSER A 19 5.654 2.050 -7.596 0.80 0.00 C ATOM 483 O ASER A 19 6.490 1.268 -7.712 0.20 0.00 O ATOM 484 O BSER A 19 5.926 1.284 -8.522 0.80 0.00 O ATOM 485 CB ASER A 19 5.842 3.462 -5.065 0.20 0.00 C ATOM 486 CB BSER A 19 6.866 2.749 -5.523 0.80 0.00 C ATOM 487 OG ASER A 19 6.869 3.438 -4.089 0.20 0.00 O ATOM 488 OG BSER A 19 5.683 3.098 -4.824 0.80 0.00 O ATOM 0 H ASER A 19 5.560 4.447 -8.028 0.20 0.00 H new ATOM 0 H BSER A 19 5.611 4.744 -6.685 0.80 0.00 H new ATOM 0 HA ASER A 19 7.492 3.162 -6.407 0.20 0.00 H new ATOM 0 HA BSER A 19 7.662 2.787 -7.516 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.283 4.394 -4.986 0.20 0.00 H new ATOM 0 HB2BSER A 19 7.102 1.700 -5.343 0.80 0.00 H new ATOM 0 HB3ASER A 19 5.138 2.651 -4.876 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.703 3.334 -5.142 0.80 0.00 H new ATOM 0 HG ASER A 19 7.502 4.166 -4.263 0.20 0.00 H new ATOM 0 HG BSER A 19 5.808 2.932 -3.866 0.80 0.00 H new ATOM 499 N AGLY A 20 4.460 2.078 -7.180 0.20 0.00 N ATOM 500 N BGLY A 20 4.449 2.113 -7.038 0.80 0.00 N ATOM 501 CA AGLY A 20 3.758 0.982 -7.822 0.20 0.00 C ATOM 502 CA BGLY A 20 3.371 1.259 -7.504 0.80 0.00 C ATOM 503 C AGLY A 20 2.770 0.306 -6.895 0.20 0.00 C ATOM 504 C BGLY A 20 2.708 0.494 -6.376 0.80 0.00 C ATOM 505 O AGLY A 20 1.743 -0.207 -7.339 0.20 0.00 O ATOM 506 O BGLY A 20 2.239 -0.626 -6.571 0.80 0.00 O ATOM 0 H AGLY A 20 3.857 2.777 -6.747 0.20 0.00 H new ATOM 0 H BGLY A 20 4.200 2.739 -6.272 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.231 1.356 -8.699 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.624 1.868 -8.014 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.482 0.247 -8.175 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.762 0.553 -8.237 0.80 0.00 H new ATOM 513 N AARG A 21 3.080 0.301 -5.601 0.20 0.00 N ATOM 514 N BARG A 21 2.672 1.100 -5.194 0.80 0.00 N ATOM 515 CA AARG A 21 2.213 -0.321 -4.610 0.20 0.00 C ATOM 516 CA BARG A 21 2.064 0.467 -4.031 0.80 0.00 C ATOM 517 C AARG A 21 0.808 0.269 -4.669 0.20 0.00 C ATOM 518 C BARG A 21 0.590 0.845 -3.912 0.80 0.00 C ATOM 519 O AARG A 21 0.525 1.145 -5.488 0.20 0.00 O ATOM 520 O BARG A 21 0.244 2.026 -3.854 0.80 0.00 O ATOM 521 CB AARG A 21 2.794 -0.141 -3.207 0.20 0.00 C ATOM 522 CB BARG A 21 2.809 0.870 -2.756 0.80 0.00 C ATOM 523 CG AARG A 21 4.224 -0.641 -3.070 0.20 0.00 C ATOM 524 CG BARG A 21 3.765 -0.195 -2.247 0.80 0.00 C ATOM 525 CD AARG A 21 5.046 0.258 -2.159 0.20 0.00 C ATOM 526 CD BARG A 21 4.976 0.422 -1.566 0.80 0.00 C ATOM 527 NE AARG A 21 4.331 0.585 -0.927 0.20 0.00 N ATOM 528 NE BARG A 21 4.599 1.478 -0.632 0.80 0.00 N ATOM 529 CZ AARG A 21 4.731 1.520 -0.073 0.20 0.00 C ATOM 530 CZ BARG A 21 3.988 1.253 0.525 0.80 0.00 C ATOM 531 NH1AARG A 21 5.833 2.215 -0.314 0.20 0.00 N ATOM 532 NH1BARG A 21 3.686 0.014 0.889 0.80 0.00 N ATOM 533 NH2AARG A 21 4.028 1.761 1.025 0.20 0.00 N ATOM 534 NH2BARG A 21 3.677 2.268 1.321 0.80 0.00 N ATOM 0 H AARG A 21 3.926 0.721 -5.216 0.20 0.00 H new ATOM 0 H BARG A 21 3.057 2.028 -5.017 0.80 0.00 H new ATOM 0 HA AARG A 21 2.151 -1.385 -4.837 0.20 0.00 H new ATOM 0 HA BARG A 21 2.135 -0.613 -4.160 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.761 0.916 -2.942 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.367 1.787 -2.946 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.164 -0.669 -2.491 0.20 0.00 H new ATOM 0 HB3BARG A 21 2.082 1.096 -1.976 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.219 -1.656 -2.672 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.245 -0.847 -1.545 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.690 -0.687 -4.054 0.20 0.00 H new ATOM 0 HG3BARG A 21 4.093 -0.819 -3.079 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.986 -0.236 -1.913 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.527 -0.353 -1.033 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.298 1.177 -2.687 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.648 0.829 -2.321 0.80 0.00 H new ATOM 0 HE AARG A 21 3.479 0.067 -0.712 0.20 0.00 H new ATOM 0 HE BARG A 21 4.817 2.443 -0.882 0.80 0.00 H new ATOM 0 HH11AARG A 21 6.377 2.033 -1.157 0.20 0.00 H new ATOM 0 HH11BARG A 21 3.923 -0.769 0.280 0.80 0.00 H new ATOM 0 HH12AARG A 21 6.138 2.932 0.344 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.217 -0.156 1.778 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.179 1.228 1.214 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.907 3.222 1.044 0.80 0.00 H new ATOM 0 HH22AARG A 21 4.336 2.479 1.680 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.208 2.094 2.210 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.070 -0.214 -3.796 0.20 0.00 N ATOM 562 N BVAL A 22 -0.274 -0.164 -3.877 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.446 0.267 -3.748 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.710 0.063 -3.765 0.80 0.00 C ATOM 565 C AVAL A 22 -1.851 0.630 -2.324 0.20 0.00 C ATOM 566 C BVAL A 22 -2.090 0.497 -2.354 0.80 0.00 C ATOM 567 O AVAL A 22 -1.165 0.280 -1.364 0.20 0.00 O ATOM 568 O BVAL A 22 -1.590 -0.048 -1.370 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.426 -0.786 -4.299 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.509 -1.203 -4.134 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.476 -0.728 -5.819 0.20 0.00 C ATOM 572 CG1BVAL A 22 -3.995 -0.980 -3.905 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.040 -2.177 -3.821 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.235 -1.603 -5.575 0.80 0.00 C ATOM 0 H AVAL A 22 0.147 -0.939 -3.112 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.005 -1.147 -3.925 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.494 1.159 -4.373 0.20 0.00 H new ATOM 0 HA BVAL A 22 -1.960 0.859 -4.466 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.423 -0.562 -3.919 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.186 -2.019 -3.488 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.174 -1.479 -6.189 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.544 -1.884 -4.171 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.807 0.261 -6.135 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.170 -0.745 -2.855 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.483 -0.924 -6.223 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.338 -0.152 -4.525 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.744 -2.907 -4.220 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -2.807 -2.498 -5.819 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.034 -2.415 -4.168 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.530 -0.791 -6.240 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.065 -2.207 -2.732 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.171 -1.806 -5.700 0.80 0.00 H new ATOM 593 N ATYR A 23 -2.973 1.330 -2.196 0.20 0.00 N ATOM 594 N BTYR A 23 -2.977 1.481 -2.261 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.470 1.743 -0.889 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.424 1.989 -0.970 0.80 0.00 C ATOM 597 C ATYR A 23 -4.919 2.214 -0.981 0.20 0.00 C ATOM 598 C BTYR A 23 -4.880 2.434 -1.034 0.80 0.00 C ATOM 599 O ATYR A 23 -5.539 2.148 -2.043 0.20 0.00 O ATOM 600 O BTYR A 23 -5.501 2.415 -2.097 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.595 2.858 -0.315 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.541 3.159 -0.528 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.249 3.934 -1.319 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.568 4.333 -1.478 0.80 0.00 C ATOM 605 CD1ATYR A 23 -1.007 3.957 -1.942 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.680 4.412 -2.543 0.80 0.00 C ATOM 607 CD2ATYR A 23 -3.164 4.927 -1.645 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.484 5.367 -1.311 0.80 0.00 C ATOM 609 CE1ATYR A 23 -0.686 4.939 -2.858 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.701 5.483 -3.415 0.80 0.00 C ATOM 611 CE2ATYR A 23 -2.852 5.913 -2.564 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.513 6.440 -2.179 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.612 5.914 -3.167 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.619 6.496 -3.229 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.297 6.894 -4.080 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.646 7.565 -4.094 0.80 0.00 O ATOM 0 H ATYR A 23 -3.555 1.623 -2.981 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.401 1.943 -3.065 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.429 0.880 -0.224 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.342 1.182 -0.242 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.110 3.314 0.530 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.863 3.493 0.458 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.673 2.423 0.071 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.514 2.809 -0.426 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -0.280 3.194 -1.706 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -0.960 3.621 -2.692 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -4.135 4.929 -1.173 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.184 5.329 -0.489 0.80 0.00 H new ATOM 0 HE1ATYR A 23 0.285 4.944 -3.330 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -1.003 5.527 -4.238 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -3.575 6.677 -2.808 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.233 7.233 -2.037 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.489 6.572 -4.985 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.352 8.188 -3.822 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.452 2.692 0.139 0.20 0.00 N ATOM 636 N BTYR A 24 -5.420 2.836 0.111 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.827 3.174 0.186 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.807 3.284 0.188 0.80 0.00 C ATOM 639 C ATYR A 24 -6.869 4.675 0.451 0.20 0.00 C ATOM 640 C BTYR A 24 -6.889 4.709 0.729 0.80 0.00 C ATOM 641 O ATYR A 24 -6.006 5.220 1.142 0.20 0.00 O ATOM 642 O BTYR A 24 -6.239 5.048 1.717 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.612 2.430 1.267 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.619 2.342 1.077 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.356 0.939 1.284 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.363 0.877 0.801 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.626 0.352 2.310 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.760 0.067 1.755 0.80 0.00 C ATOM 649 CD2ATYR A 24 -7.843 0.119 0.275 0.20 0.00 C ATOM 650 CD2BTYR A 24 -7.724 0.305 -0.411 0.80 0.00 C ATOM 651 CE1ATYR A 24 -6.387 -1.007 2.330 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.523 -1.272 1.508 0.80 0.00 C ATOM 653 CE2ATYR A 24 -7.614 -1.244 0.288 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.493 -1.032 -0.667 0.80 0.00 C ATOM 655 CZ ATYR A 24 -6.884 -1.801 1.317 0.20 0.00 C ATOM 656 CZ BTYR A 24 -6.892 -1.817 0.296 0.80 0.00 C ATOM 657 OH ATYR A 24 -6.651 -3.157 1.333 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.658 -3.150 0.044 0.80 0.00 O ATOM 0 H ATYR A 24 -4.952 2.756 1.026 0.20 0.00 H new ATOM 0 H BTYR A 24 -4.919 2.861 0.999 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.287 2.983 -0.784 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.224 3.272 -0.819 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.355 2.845 2.241 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.388 2.552 2.121 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.677 2.606 1.116 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.680 2.549 0.938 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -6.239 0.970 3.106 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.472 0.491 2.706 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -8.411 0.554 -0.534 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.194 0.916 -1.167 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -5.815 -1.446 3.134 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -6.052 -1.888 2.260 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -8.004 -1.868 -0.502 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -7.781 -1.461 -1.615 0.80 0.00 H new ATOM 0 HH ATYR A 24 -7.070 -3.570 0.549 0.20 0.00 H new ATOM 0 HH BTYR A 24 -6.979 -3.374 -0.855 0.80 0.00 H new ATOM 677 N APHE A 25 -7.879 5.339 -0.098 0.20 0.00 N ATOM 678 N BPHE A 25 -7.694 5.537 0.072 0.80 0.00 N ATOM 679 CA APHE A 25 -8.036 6.779 0.078 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.863 6.924 0.484 0.80 0.00 C ATOM 681 C APHE A 25 -9.451 7.119 0.538 0.20 0.00 C ATOM 682 C BPHE A 25 -9.343 7.275 0.622 0.80 0.00 C ATOM 683 O APHE A 25 -10.432 6.710 -0.082 0.20 0.00 O ATOM 684 O BPHE A 25 -10.177 6.808 -0.151 0.80 0.00 O ATOM 685 CB APHE A 25 -7.721 7.511 -1.227 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.199 7.863 -0.525 0.80 0.00 C ATOM 687 CG APHE A 25 -7.562 8.995 -1.058 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.530 9.312 -0.306 0.80 0.00 C ATOM 689 CD1APHE A 25 -8.504 9.870 -1.574 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.644 9.880 -0.902 0.80 0.00 C ATOM 691 CD2APHE A 25 -6.470 9.515 -0.382 0.20 0.00 C ATOM 692 CD2BPHE A 25 -6.725 10.105 0.497 0.80 0.00 C ATOM 693 CE1APHE A 25 -8.360 11.236 -1.420 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.951 11.212 -0.701 0.80 0.00 C ATOM 695 CE2APHE A 25 -6.322 10.880 -0.224 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.028 11.439 0.701 0.80 0.00 C ATOM 697 CZ APHE A 25 -7.267 11.741 -0.745 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.142 11.992 0.101 0.80 0.00 C ATOM 0 H APHE A 25 -8.603 4.903 -0.670 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.239 5.271 -0.748 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.335 7.105 0.846 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.385 7.048 1.456 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.805 7.101 -1.652 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.118 7.734 -0.472 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.519 7.318 -1.944 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.505 7.577 -1.531 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.361 9.480 -2.103 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -9.280 9.275 -1.531 0.80 0.00 H new ATOM 0 HD2APHE A 25 -5.726 8.846 0.026 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -5.853 9.677 0.968 0.80 0.00 H new ATOM 0 HE1APHE A 25 -9.102 11.907 -1.827 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.823 11.643 -1.171 0.80 0.00 H new ATOM 0 HE2APHE A 25 -5.467 11.273 0.307 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -6.394 12.047 1.329 0.80 0.00 H new ATOM 0 HZ APHE A 25 -7.151 12.808 -0.625 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.380 13.034 0.259 0.80 0.00 H new ATOM 717 N AASN A 26 -9.547 7.869 1.629 0.20 0.00 N ATOM 718 N BASN A 26 -9.658 8.100 1.615 0.80 0.00 N ATOM 719 CA AASN A 26 -10.841 8.265 2.175 0.20 0.00 C ATOM 720 CA BASN A 26 -11.036 8.512 1.859 0.80 0.00 C ATOM 721 C AASN A 26 -11.206 9.680 1.738 0.20 0.00 C ATOM 722 C BASN A 26 -11.266 9.945 1.388 0.80 0.00 C ATOM 723 O AASN A 26 -10.588 10.653 2.174 0.20 0.00 O ATOM 724 O BASN A 26 -10.549 10.863 1.785 0.80 0.00 O ATOM 725 CB AASN A 26 -10.824 8.178 3.702 0.20 0.00 C ATOM 726 CB BASN A 26 -11.372 8.392 3.345 0.80 0.00 C ATOM 727 CG AASN A 26 -12.201 8.368 4.309 0.20 0.00 C ATOM 728 CG BASN A 26 -12.867 8.367 3.601 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.595 9.485 4.643 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.642 8.985 2.871 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.941 7.275 4.450 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.278 7.651 4.640 0.80 0.00 N ATOM 0 H AASN A 26 -8.744 8.216 2.154 0.20 0.00 H new ATOM 0 H BASN A 26 -8.978 8.497 2.264 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.595 7.579 1.789 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.692 7.851 1.292 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.428 7.208 4.003 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.923 7.482 3.744 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.148 8.935 4.099 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.928 9.229 3.884 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.877 7.341 4.849 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.272 7.597 4.861 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.573 6.369 4.159 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.600 7.155 5.218 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.212 9.789 0.877 0.20 0.00 N ATOM 746 N BHIS A 27 -12.272 10.128 0.537 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.660 11.086 0.384 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.598 11.450 0.013 0.80 0.00 C ATOM 749 C AHIS A 27 -13.777 11.646 1.260 0.20 0.00 C ATOM 750 C BHIS A 27 -13.423 12.246 1.021 0.80 0.00 C ATOM 751 O AHIS A 27 -14.702 12.291 0.766 0.20 0.00 O ATOM 752 O BHIS A 27 -13.522 13.470 0.926 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.143 10.966 -1.063 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.363 11.324 -1.304 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.442 10.235 -1.202 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.549 10.413 -1.223 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.265 10.365 -2.300 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.780 10.820 -0.755 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.057 9.359 -0.373 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.686 9.107 -1.555 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.332 9.601 -2.140 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.624 9.804 -0.802 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.231 8.982 -0.980 0.20 0.00 N ATOM 764 NE2BHIS A 27 -15.985 8.754 -1.285 0.80 0.00 N ATOM 0 H AHIS A 27 -12.733 8.994 0.506 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.874 9.379 0.196 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.814 11.773 0.422 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.665 11.983 -0.167 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.251 11.965 -1.485 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.696 12.313 -1.617 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.382 10.452 -1.650 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.685 10.957 -2.075 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.693 9.020 0.586 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.917 8.464 -1.957 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -17.148 9.501 -2.840 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.660 9.828 -0.497 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.914 8.329 -0.595 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.391 7.830 -1.433 0.80 0.00 H new ATOM 779 N AILE A 28 -13.685 11.392 2.561 0.20 0.00 N ATOM 780 N BILE A 28 -14.010 11.543 1.983 0.80 0.00 N ATOM 781 CA AILE A 28 -14.686 11.870 3.505 0.20 0.00 C ATOM 782 CA BILE A 28 -14.825 12.185 3.007 0.80 0.00 C ATOM 783 C AILE A 28 -14.043 12.664 4.636 0.20 0.00 C ATOM 784 C BILE A 28 -13.960 12.704 4.151 0.80 0.00 C ATOM 785 O AILE A 28 -14.525 13.732 5.015 0.20 0.00 O ATOM 786 O BILE A 28 -14.105 13.847 4.586 0.80 0.00 O ATOM 787 CB AILE A 28 -15.495 10.705 4.107 0.20 0.00 C ATOM 788 CB BILE A 28 -15.881 11.217 3.574 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.229 9.941 3.003 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.822 10.749 2.464 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.480 11.223 5.144 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.664 11.887 4.695 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.204 10.796 2.222 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.913 9.820 2.950 0.80 0.00 C ATOM 0 H AILE A 28 -12.927 10.857 2.985 0.20 0.00 H new ATOM 0 H BILE A 28 -13.937 10.530 2.075 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.360 12.520 2.946 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.332 13.023 2.529 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.805 10.021 4.600 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.372 10.344 3.984 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.496 9.519 2.315 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.280 11.620 1.995 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.767 9.104 3.448 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.240 10.242 1.695 0.80 0.00 H new ATOM 0 HG21AILE A 28 -17.044 10.388 5.560 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.407 11.192 5.086 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.936 11.727 5.943 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.981 12.176 5.494 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.167 11.926 4.674 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.166 12.774 4.309 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.688 10.189 1.457 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.543 9.528 2.110 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.959 11.197 2.898 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.464 8.931 3.393 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.668 11.618 1.748 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.519 10.331 3.698 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.947 12.136 5.172 0.20 0.00 N ATOM 818 N BTHR A 29 -13.058 11.857 4.638 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.234 12.795 6.261 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.171 12.228 5.731 0.80 0.00 C ATOM 821 C ATHR A 29 -10.797 13.114 5.863 0.20 0.00 C ATOM 822 C BTHR A 29 -10.863 12.808 5.205 0.80 0.00 C ATOM 823 O ATHR A 29 -9.913 13.202 6.713 0.20 0.00 O ATOM 824 O BTHR A 29 -10.135 13.484 5.930 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.222 11.926 7.532 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.856 11.022 6.636 0.80 0.00 C ATOM 827 OG1ATHR A 29 -13.029 10.759 7.335 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.850 9.817 5.861 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.739 12.710 8.729 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.879 10.905 7.756 0.80 0.00 C ATOM 0 H ATHR A 29 -12.533 11.254 4.870 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.923 10.907 4.291 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.765 13.724 6.470 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.693 12.985 6.316 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.193 11.627 7.731 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.872 11.174 7.078 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -12.741 10.295 6.521 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.648 9.055 6.443 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.721 12.075 9.615 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.636 10.046 8.382 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -12.106 13.582 8.894 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.862 11.812 8.361 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.761 13.036 8.537 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.873 10.773 7.329 0.80 0.00 H new ATOM 845 N AASN A 30 -10.572 13.286 4.564 0.20 0.00 N ATOM 846 N BASN A 30 -10.569 12.538 3.935 0.80 0.00 N ATOM 847 CA AASN A 30 -9.241 13.596 4.055 0.20 0.00 C ATOM 848 CA BASN A 30 -9.349 13.033 3.312 0.80 0.00 C ATOM 849 C AASN A 30 -8.197 12.660 4.656 0.20 0.00 C ATOM 850 C BASN A 30 -8.114 12.448 3.991 0.80 0.00 C ATOM 851 O AASN A 30 -7.052 13.051 4.880 0.20 0.00 O ATOM 852 O BASN A 30 -7.297 13.178 4.550 0.80 0.00 O ATOM 853 CB AASN A 30 -8.878 15.049 4.365 0.20 0.00 C ATOM 854 CB BASN A 30 -9.303 14.561 3.373 0.80 0.00 C ATOM 855 CG AASN A 30 -9.413 16.013 3.323 0.20 0.00 C ATOM 856 CG BASN A 30 -8.398 15.155 2.310 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.431 16.672 3.536 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.863 15.836 1.395 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.726 16.099 2.191 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.101 14.900 2.428 0.80 0.00 N ATOM 0 H AASN A 30 -11.293 13.216 3.846 0.20 0.00 H new ATOM 0 H BASN A 30 -11.160 11.979 3.320 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.251 13.454 2.974 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.351 12.718 2.269 0.80 0.00 H new ATOM 0 HB2AASN A 30 -9.275 15.319 5.344 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.311 14.957 3.251 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.794 15.146 4.423 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.955 14.872 4.358 0.80 0.00 H new ATOM 0 HD21AASN A 30 -9.036 16.731 1.453 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.443 15.274 1.744 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.888 15.533 2.059 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.762 14.330 3.203 0.80 0.00 H new ATOM 873 N AALA A 31 -8.600 11.420 4.914 0.20 0.00 N ATOM 874 N BALA A 31 -7.987 11.127 3.939 0.80 0.00 N ATOM 875 CA AALA A 31 -7.700 10.427 5.487 0.20 0.00 C ATOM 876 CA BALA A 31 -6.851 10.443 4.547 0.80 0.00 C ATOM 877 C AALA A 31 -7.101 9.538 4.403 0.20 0.00 C ATOM 878 C BALA A 31 -6.549 9.133 3.828 0.80 0.00 C ATOM 879 O AALA A 31 -7.613 9.477 3.283 0.20 0.00 O ATOM 880 O BALA A 31 -7.415 8.567 3.158 0.80 0.00 O ATOM 881 CB AALA A 31 -8.432 9.582 6.519 0.20 0.00 C ATOM 882 CB BALA A 31 -7.117 10.188 6.022 0.80 0.00 C ATOM 0 H AALA A 31 -9.545 11.079 4.735 0.20 0.00 H new ATOM 0 H BALA A 31 -8.657 10.508 3.482 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.884 10.956 5.979 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.978 11.088 4.452 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.747 8.845 6.938 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.261 9.677 6.463 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.806 10.224 7.316 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.275 11.138 6.533 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.269 9.070 6.043 0.20 0.00 H new ATOM 0 HB3BALA A 31 -8.006 9.566 6.129 0.80 0.00 H new ATOM 893 N ASER A 32 -6.016 8.849 4.740 0.20 0.00 N ATOM 894 N BSER A 32 -5.317 8.655 3.969 0.80 0.00 N ATOM 895 CA ASER A 32 -5.345 7.966 3.793 0.20 0.00 C ATOM 896 CA BSER A 32 -4.900 7.414 3.331 0.80 0.00 C ATOM 897 C ASER A 32 -4.447 6.970 4.519 0.20 0.00 C ATOM 898 C BSER A 32 -4.470 6.384 4.372 0.80 0.00 C ATOM 899 O ASER A 32 -3.269 7.239 4.755 0.20 0.00 O ATOM 900 O BSER A 32 -3.965 6.737 5.436 0.80 0.00 O ATOM 901 CB ASER A 32 -4.519 8.784 2.799 0.20 0.00 C ATOM 902 CB BSER A 32 -3.753 7.677 2.353 0.80 0.00 C ATOM 903 OG ASER A 32 -3.473 9.480 3.454 0.20 0.00 O ATOM 904 OG BSER A 32 -3.830 6.815 1.231 0.80 0.00 O ATOM 0 H ASER A 32 -5.582 8.885 5.662 0.20 0.00 H new ATOM 0 H BSER A 32 -4.590 9.110 4.521 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.109 7.410 3.250 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.752 7.015 2.781 0.80 0.00 H new ATOM 0 HB2ASER A 32 -4.100 8.124 2.040 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.785 8.715 2.021 0.80 0.00 H new ATOM 0 HB3ASER A 32 -5.165 9.494 2.283 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.799 7.534 2.860 0.80 0.00 H new ATOM 0 HG ASER A 32 -3.026 8.879 4.086 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.577 6.192 1.348 0.80 0.00 H new ATOM 915 N AGLN A 33 -5.011 5.821 4.873 0.20 0.00 N ATOM 916 N BGLN A 33 -4.674 5.110 4.053 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.264 4.785 5.575 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.309 4.028 4.962 0.80 0.00 C ATOM 919 C AGLN A 33 -4.068 3.560 4.689 0.20 0.00 C ATOM 920 C BGLN A 33 -4.009 2.747 4.188 0.80 0.00 C ATOM 921 O AGLN A 33 -4.797 3.363 3.717 0.20 0.00 O ATOM 922 O BGLN A 33 -4.814 2.301 3.372 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.985 4.389 6.864 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.432 3.780 5.971 0.80 0.00 C ATOM 925 CG AGLN A 33 -6.402 3.888 6.638 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.017 2.892 7.132 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.969 3.172 7.848 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.059 2.850 8.235 0.80 0.00 C ATOM 929 OE1AGLN A 33 -6.786 3.610 8.986 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.313 3.853 8.901 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.660 2.063 7.611 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.668 1.686 8.430 0.80 0.00 N ATOM 0 H AGLN A 33 -5.985 5.583 4.685 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.089 4.801 3.174 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.283 5.188 5.827 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.409 4.325 5.500 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -4.410 3.613 7.368 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.777 4.737 6.361 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -5.015 5.249 7.533 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.277 3.322 5.457 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -7.045 4.731 6.385 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.840 1.881 6.766 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.412 3.212 5.783 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.074 3.253 7.542 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -7.787 1.736 6.653 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.425 0.880 7.853 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -8.064 1.538 8.387 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.379 1.598 9.156 0.80 0.00 H new ATOM 949 N APHE A 34 -3.081 2.738 5.032 0.20 0.00 N ATOM 950 N BPHE A 34 -2.846 2.162 4.455 0.80 0.00 N ATOM 951 CA APHE A 34 -2.791 1.531 4.267 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.438 0.933 3.783 0.80 0.00 C ATOM 953 C APHE A 34 -3.594 0.346 4.793 0.20 0.00 C ATOM 954 C BPHE A 34 -3.137 -0.277 4.394 0.80 0.00 C ATOM 955 O APHE A 34 -3.895 -0.589 4.053 0.20 0.00 O ATOM 956 O BPHE A 34 -3.456 -1.240 3.697 0.80 0.00 O ATOM 957 CB APHE A 34 -1.296 1.214 4.324 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.921 0.758 3.869 0.80 0.00 C ATOM 959 CG APHE A 34 -0.479 1.991 3.331 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.150 1.909 3.288 0.80 0.00 C ATOM 961 CD1APHE A 34 -0.072 3.286 3.612 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.624 2.721 4.098 0.80 0.00 C ATOM 963 CD2APHE A 34 -0.116 1.428 2.119 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.200 2.176 1.929 0.80 0.00 C ATOM 965 CE1APHE A 34 0.679 4.005 2.700 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.335 3.782 3.566 0.80 0.00 C ATOM 967 CE2APHE A 34 0.634 2.140 1.204 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.508 3.233 1.390 0.80 0.00 C ATOM 969 CZ APHE A 34 1.032 3.431 1.495 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.276 4.037 2.209 0.80 0.00 C ATOM 0 H APHE A 34 -2.469 2.886 5.834 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.170 2.518 5.131 0.80 0.00 H new ATOM 0 HA APHE A 34 -3.079 1.710 3.231 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.728 1.008 2.735 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.927 1.422 5.328 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.637 0.631 4.914 0.80 0.00 H new ATOM 0 HB3APHE A 34 -1.152 0.148 4.146 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.639 -0.157 3.349 0.80 0.00 H new ATOM 0 HD1APHE A 34 -0.345 3.739 4.554 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.674 2.524 5.159 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.423 0.419 1.886 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.799 1.551 1.284 0.80 0.00 H new ATOM 0 HE1APHE A 34 0.989 5.014 2.930 0.20 0.00 H new ATOM 0 HE1BPHE A 34 1.934 4.409 4.209 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.909 1.689 0.262 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.461 3.430 0.329 0.80 0.00 H new ATOM 0 HZ APHE A 34 1.618 3.990 0.781 0.20 0.00 H new ATOM 0 HZ BPHE A 34 1.830 4.864 1.790 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.937 0.396 6.076 0.20 0.00 N ATOM 990 N BGLU A 35 -3.371 -0.220 5.702 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.705 -0.675 6.704 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.031 -1.313 6.408 0.80 0.00 C ATOM 993 C AGLU A 35 -6.073 -0.820 6.044 0.20 0.00 C ATOM 994 C BGLU A 35 -5.534 -1.296 6.149 0.80 0.00 C ATOM 995 O AGLU A 35 -6.544 0.088 5.359 0.20 0.00 O ATOM 996 O BGLU A 35 -6.196 -0.277 6.341 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.874 -0.404 8.198 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.757 -1.217 7.911 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.333 -1.515 9.084 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.307 -0.915 8.247 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.175 -1.059 9.951 0.20 0.00 C ATOM 1002 CD BGLU A 35 -1.826 -1.668 9.472 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -3.408 -0.752 11.138 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -0.595 -1.777 9.655 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -2.037 -1.009 9.443 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -2.678 -2.145 10.251 0.80 0.00 O ATOM 0 H AGLU A 35 -3.696 1.165 6.701 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.114 0.570 6.293 0.80 0.00 H new ATOM 0 HA AGLU A 35 -4.155 -1.607 6.572 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.627 -2.253 6.033 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -4.368 0.528 8.449 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.390 -0.439 8.338 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.932 -0.261 8.415 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.043 -2.156 8.385 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.134 -1.889 9.722 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.678 -1.174 7.395 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -4.008 -2.347 8.459 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.192 0.156 8.414 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.706 -1.971 6.254 0.20 0.00 N ATOM 1020 N BARG A 36 -6.067 -2.435 5.717 0.80 0.00 N ATOM 1021 CA AARG A 36 -8.019 -2.236 5.679 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.491 -2.553 5.432 0.80 0.00 C ATOM 1023 C AARG A 36 -9.124 -1.655 6.556 0.20 0.00 C ATOM 1024 C BARG A 36 -8.324 -2.053 6.609 0.80 0.00 C ATOM 1025 O AARG A 36 -9.343 -2.087 7.689 0.20 0.00 O ATOM 1026 O BARG A 36 -8.394 -2.685 7.663 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.227 -3.743 5.508 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.852 -4.005 5.118 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.512 -4.099 4.777 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.326 -4.213 4.807 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.882 -5.561 4.981 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.722 -5.675 4.949 0.80 0.00 C ATOM 1033 NE AARG A 36 -11.303 -5.804 4.752 0.20 0.00 N ATOM 1034 NE BARG A 36 -10.341 -6.194 3.732 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.843 -5.924 3.544 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.111 -7.276 3.702 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.082 -5.823 2.463 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.355 -7.950 4.817 0.80 0.00 N ATOM 1039 NH2AARG A 36 -13.144 -6.144 3.416 0.20 0.00 N ATOM 1040 NH2BARG A 36 -11.638 -7.686 2.556 0.80 0.00 N ATOM 0 H AARG A 36 -6.330 -2.734 6.818 0.20 0.00 H new ATOM 0 H BARG A 36 -5.533 -3.289 5.557 0.80 0.00 H new ATOM 0 HA AARG A 36 -8.065 -1.755 4.702 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.714 -1.935 4.562 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.380 -4.159 4.962 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.259 -4.342 4.268 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.235 -4.214 6.491 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.577 -4.631 5.967 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.323 -3.464 5.134 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.931 -3.604 5.479 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.394 -3.897 3.712 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.537 -3.874 3.793 0.80 0.00 H new ATOM 0 HD2AARG A 36 -9.295 -6.181 4.304 0.20 0.00 H new ATOM 0 HD2BARG A 36 -8.839 -6.268 5.188 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.622 -5.862 5.996 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.415 -5.784 5.783 0.80 0.00 H new ATOM 0 HE AARG A 36 -11.915 -5.886 5.564 0.20 0.00 H new ATOM 0 HE BARG A 36 -10.173 -5.698 2.857 0.80 0.00 H new ATOM 0 HH11AARG A 36 -10.081 -5.653 2.558 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.951 -7.638 5.700 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.498 -5.915 1.536 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.947 -8.781 4.792 0.80 0.00 H new ATOM 0 HH21AARG A 36 -13.732 -6.221 4.246 0.20 0.00 H new ATOM 0 HH21BARG A 36 -11.452 -7.170 1.696 0.80 0.00 H new ATOM 0 HH22AARG A 36 -13.557 -6.236 2.488 0.20 0.00 H new ATOM 0 HH22BARG A 36 -12.229 -8.517 2.535 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.836 -0.653 6.022 0.20 0.00 N ATOM 1068 N BPRO A 37 -8.971 -0.892 6.426 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.929 0.010 6.739 0.20 0.00 C ATOM 1070 CA BPRO A 37 -9.811 -0.283 7.461 0.80 0.00 C ATOM 1071 C APRO A 37 -12.145 -0.895 6.905 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.094 -1.072 7.707 0.80 0.00 C ATOM 1073 O APRO A 37 -12.885 -1.139 5.951 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.479 -1.913 6.896 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.270 1.204 5.843 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.134 1.098 6.888 0.80 0.00 C ATOM 1077 CG APRO A 37 -10.834 0.790 4.480 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.017 0.933 5.411 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.628 -0.087 4.679 0.20 0.00 C ATOM 1080 CD BPRO A 37 -8.933 -0.086 5.196 0.80 0.00 C ATOM 0 HA APRO A 37 -10.641 0.289 7.752 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.308 -0.252 8.427 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.337 1.425 5.867 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.136 1.420 7.172 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.750 2.105 6.169 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.440 1.852 7.258 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.628 0.250 3.964 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -10.960 0.597 4.979 0.80 0.00 H new ATOM 0 HG3APRO A 37 -10.588 1.658 3.868 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.765 1.879 4.931 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.568 -0.866 3.919 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.123 -0.694 4.312 0.80 0.00 H new ATOM 0 HD3APRO A 37 -8.702 0.485 4.623 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -7.961 0.386 5.055 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.347 -1.391 8.123 0.20 0.00 N ATOM 1096 N BSER A 38 -11.748 -0.794 8.829 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.472 -2.272 8.411 0.20 0.00 C ATOM 1098 CA BSER A 38 -12.986 -1.479 9.181 0.80 0.00 C ATOM 1099 C ASER A 38 -14.798 -1.569 8.137 0.20 0.00 C ATOM 1100 C BSER A 38 -14.188 -0.557 9.004 0.80 0.00 C ATOM 1101 O ASER A 38 -15.738 -2.171 7.621 0.20 0.00 O ATOM 1102 O BSER A 38 -14.037 0.633 8.727 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.421 -2.738 9.868 0.20 0.00 C ATOM 1104 CB BSER A 38 -12.922 -1.980 10.626 0.80 0.00 C ATOM 1105 OG ASER A 38 -12.610 -1.878 10.650 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.073 -2.737 10.953 0.80 0.00 O ATOM 0 H ASER A 38 -11.746 -1.197 8.924 0.20 0.00 H new ATOM 0 H BSER A 38 -11.442 -0.099 9.510 0.80 0.00 H new ATOM 0 HA ASER A 38 -13.399 -3.140 7.755 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.103 -2.331 8.512 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.430 -2.766 10.280 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.030 -2.591 10.764 0.80 0.00 H new ATOM 0 HB3ASER A 38 -13.030 -3.754 9.915 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.835 -1.132 11.305 0.80 0.00 H new ATOM 0 HG ASER A 38 -12.595 -2.196 11.577 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.008 -3.047 11.880 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.865 -0.288 8.486 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.384 -1.115 9.165 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.079 0.477 8.271 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.595 -0.330 9.019 0.80 0.00 C ATOM 1121 C AGLY A 39 -16.993 0.471 9.481 0.20 0.00 C ATOM 1122 C BGLY A 39 -17.457 -0.356 10.265 0.80 0.00 C ATOM 1123 O AGLY A 39 -16.564 0.784 10.591 0.20 0.00 O ATOM 1124 O BGLY A 39 -17.514 -1.387 10.934 0.80 0.00 O ATOM 0 H AGLY A 39 -14.100 0.234 8.914 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.535 -2.097 9.394 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -15.817 1.506 8.023 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.330 0.701 8.786 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.614 0.069 7.414 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -17.171 -0.710 8.175 0.80 0.00 H new