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= 0.487 K(o=-2.2,f=-16!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -0.524 K(o=-2.2,f=-12!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.4: A 29 THR OG1B: rot -162:sc= -2.13 USER MOD Set 2.1: A 16 SER OG A: rot 180:sc= -0.0837 USER MOD Set 2.2: A 16 SER OG B: rot -153:sc= 0.68 USER MOD Set 2.3: A 19 SER OG B: rot 171:sc= -0.305 USER MOD Set 2.4: A 23 TYR OH A: rot -122:sc= 0.12 USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ -131:sc= -0.581 (180deg=-3.27!) 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 18 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.494 K(o=-0.49,f=-2.3) USER MOD Single : A 19 SER OG A: rot 180:sc= -0.0135 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= -1.64 K(o=-1.6,f=-0.36) USER MOD Single : A 27 HIS B: no HD1:sc= -2.42 X(o=-2.4,f=-2.5) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.524 K(o=0.52,f=-0.044) USER MOD Single : A 32 SER OG A: rot -7:sc= 0.103 USER MOD Single : A 32 SER OG B: rot 12:sc= 0.556 USER MOD Single : A 33 GLN A: amide:sc= 1 K(o=1,f=-0.017) USER MOD Single : A 33 GLN B: amide:sc= 1.17 K(o=1.2,f=-0.0011) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0329 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.254 USER MOD ----------------------------------------------------------------- ATOM 67 N ALEU A 7 -15.441 -2.335 -0.444 0.20 0.00 N ATOM 68 N BLEU A 7 -15.030 -2.935 -0.949 0.80 0.00 N ATOM 69 CA ALEU A 7 -15.187 -1.310 0.562 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.545 -1.910 -0.033 0.80 0.00 C ATOM 71 C ALEU A 7 -16.470 -0.561 0.912 0.20 0.00 C ATOM 72 C BLEU A 7 -15.702 -1.100 0.542 0.80 0.00 C ATOM 73 O ALEU A 7 -17.395 -0.454 0.107 0.20 0.00 O ATOM 74 O BLEU A 7 -16.769 -0.978 -0.065 0.80 0.00 O ATOM 75 CB ALEU A 7 -14.130 -0.326 0.060 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.563 -0.981 -0.749 0.80 0.00 C ATOM 77 CG ALEU A 7 -13.169 -0.858 -1.005 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.080 -1.304 -0.568 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.308 0.267 -1.558 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.806 -2.763 -0.900 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.298 -1.968 -0.430 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.225 -0.390 -1.435 0.80 0.00 C ATOM 0 HA ALEU A 7 -14.818 -1.802 1.462 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.031 -2.408 0.789 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.640 0.549 -0.344 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.790 -0.997 -1.815 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.543 0.013 0.914 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.738 0.037 -0.401 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.757 -1.272 -1.824 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.817 -1.134 0.476 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.631 -0.131 -2.314 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.745 -2.974 -0.765 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.947 1.027 -2.007 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.390 -3.403 -0.238 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.728 0.712 -0.750 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.086 -2.960 -1.935 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.620 -2.335 -1.201 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.172 -0.634 -1.293 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.719 -1.579 0.407 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.492 -0.528 -2.483 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.931 -2.785 -0.084 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.398 0.648 -1.151 0.80 0.00 H new ATOM 105 N APRO A 8 -16.527 -0.028 2.141 0.20 0.00 N ATOM 106 N BPRO A 8 -15.491 -0.531 1.737 0.80 0.00 N ATOM 107 CA APRO A 8 -17.688 0.724 2.626 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.505 0.281 2.417 0.80 0.00 C ATOM 109 C APRO A 8 -17.840 2.069 1.928 0.20 0.00 C ATOM 110 C BPRO A 8 -16.749 1.613 1.716 0.80 0.00 C ATOM 111 O APRO A 8 -16.991 2.487 1.141 0.20 0.00 O ATOM 112 O BPRO A 8 -15.952 2.063 0.892 0.80 0.00 O ATOM 113 CB APRO A 8 -17.387 0.922 4.114 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.902 0.511 3.805 0.80 0.00 C ATOM 115 CG APRO A 8 -15.903 0.856 4.211 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.432 0.387 3.606 0.80 0.00 C ATOM 117 CD APRO A 8 -15.460 -0.116 3.154 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.246 -0.632 2.517 0.80 0.00 C ATOM 0 HA APRO A 8 -18.623 0.198 2.434 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.477 -0.212 2.435 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.765 1.880 4.470 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.167 1.494 4.193 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.858 0.148 4.720 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.268 -0.224 4.522 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.458 1.838 4.049 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.994 1.344 3.323 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.591 0.524 5.201 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.939 0.070 4.525 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.489 0.156 2.740 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.370 -0.412 1.906 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.365 -1.127 3.551 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.107 -1.634 2.924 0.80 0.00 H new ATOM 133 N APRO A 9 -18.948 2.768 2.221 0.20 0.00 N ATOM 134 N BPRO A 9 -17.876 2.260 2.048 0.80 0.00 N ATOM 135 CA APRO A 9 -19.236 4.079 1.634 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.249 3.551 1.461 0.80 0.00 C ATOM 137 C APRO A 9 -18.297 5.165 2.147 0.20 0.00 C ATOM 138 C BPRO A 9 -17.343 4.684 1.931 0.80 0.00 C ATOM 139 O APRO A 9 -18.599 5.849 3.123 0.20 0.00 O ATOM 140 O BPRO A 9 -16.912 4.712 3.083 0.80 0.00 O ATOM 141 CB APRO A 9 -20.673 4.360 2.079 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.680 3.767 1.962 0.80 0.00 C ATOM 143 CG APRO A 9 -20.844 3.565 3.328 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.764 2.977 3.222 0.80 0.00 C ATOM 145 CD APRO A 9 -20.004 2.330 3.151 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.872 1.783 3.021 0.80 0.00 C ATOM 0 HA APRO A 9 -19.103 4.078 0.552 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.159 3.547 0.375 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.830 5.423 2.261 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.881 4.823 2.143 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.390 4.058 1.316 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.412 3.424 1.230 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.522 4.134 4.200 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.437 3.569 4.077 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.891 3.306 3.485 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.790 2.669 3.422 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.589 1.987 4.099 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.404 1.470 3.954 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.585 1.504 2.740 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.428 0.926 2.640 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.154 5.316 1.482 0.20 0.00 N ATOM 162 N BGLY A 10 -17.060 5.621 1.030 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.190 6.322 1.887 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.206 6.745 1.371 0.80 0.00 C ATOM 165 C AGLY A 10 -14.760 5.837 1.758 0.20 0.00 C ATOM 166 C BGLY A 10 -14.756 6.505 1.001 0.80 0.00 C ATOM 167 O AGLY A 10 -13.886 6.244 2.525 0.20 0.00 O ATOM 168 O BGLY A 10 -14.025 7.445 0.690 0.80 0.00 O ATOM 0 H AGLY A 10 -16.880 4.760 0.672 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.407 5.622 0.071 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.324 7.216 1.278 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.565 7.638 0.860 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.381 6.609 2.921 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.277 6.940 2.441 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.517 4.964 0.785 0.20 0.00 N ATOM 176 N BTRP A 11 -14.339 5.244 1.035 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.184 4.421 0.559 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.965 4.885 0.704 0.80 0.00 C ATOM 179 C ATRP A 11 -13.021 3.959 -0.885 0.20 0.00 C ATOM 180 C BTRP A 11 -12.824 4.597 -0.788 0.80 0.00 C ATOM 181 O ATRP A 11 -13.793 3.131 -1.371 0.20 0.00 O ATOM 182 O BTRP A 11 -13.738 4.065 -1.415 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.916 3.257 1.514 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.525 3.665 1.514 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.498 3.697 2.884 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.576 3.887 2.995 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.261 3.685 4.016 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.673 3.782 3.802 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.219 4.214 3.265 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.484 4.253 3.845 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.533 4.166 5.079 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.328 4.062 5.104 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.276 4.495 4.645 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.991 4.352 5.156 0.80 0.00 C ATOM 195 CE3ATRP A 11 -10.029 4.466 2.577 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.127 4.506 3.629 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.191 5.016 5.345 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.187 4.694 6.241 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.953 4.983 3.274 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.331 4.845 4.705 0.80 0.00 C ATOM 201 CH2ATRP A 11 -9.039 5.252 4.645 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.863 4.936 5.998 0.80 0.00 C ATOM 0 H ATRP A 11 -15.228 4.618 0.140 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.932 4.454 1.288 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.460 5.213 0.751 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.324 5.730 0.956 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.816 2.648 1.595 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.163 2.819 1.258 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -12.138 2.621 1.091 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.508 3.396 1.229 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.286 3.347 4.069 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.665 3.518 3.467 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.874 4.262 6.036 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.965 4.055 5.901 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.951 4.260 1.520 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.707 4.437 2.636 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.256 5.226 6.402 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.595 4.766 7.239 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -8.029 5.183 2.751 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.281 5.043 4.547 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.179 5.654 5.161 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.214 5.203 6.819 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.015 4.499 -1.567 0.20 0.00 N ATOM 224 N BGLU A 12 -11.671 4.953 -1.348 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.754 4.141 -2.955 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.411 4.732 -2.766 0.80 0.00 C ATOM 227 C AGLU A 12 -10.345 3.580 -3.117 0.20 0.00 C ATOM 228 C BGLU A 12 -10.028 4.124 -2.977 0.80 0.00 C ATOM 229 O AGLU A 12 -9.459 3.849 -2.306 0.20 0.00 O ATOM 230 O BGLU A 12 -9.058 4.521 -2.334 0.80 0.00 O ATOM 231 CB AGLU A 12 -11.938 5.360 -3.862 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.526 6.048 -3.537 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.783 6.346 -3.797 0.20 0.00 C ATOM 234 CG BGLU A 12 -11.395 5.884 -5.044 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.079 6.509 -5.129 0.20 0.00 C ATOM 236 CD BGLU A 12 -12.037 4.606 -5.548 0.80 0.00 C ATOM 237 OE1AGLU A 12 -9.555 7.613 -5.392 0.20 0.00 O ATOM 238 OE1BGLU A 12 -11.336 3.813 -6.211 0.80 0.00 O ATOM 239 OE2AGLU A 12 -10.054 5.535 -5.912 0.20 0.00 O ATOM 240 OE2BGLU A 12 -13.238 4.399 -5.279 0.80 0.00 O ATOM 0 H AGLU A 12 -11.368 5.186 -1.180 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.904 5.395 -0.842 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.468 3.370 -3.245 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.157 4.032 -3.143 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.059 5.022 -4.891 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -12.488 6.508 -3.312 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.859 5.873 -3.585 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.755 6.734 -3.186 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.156 7.315 -3.467 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -11.856 6.738 -5.540 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.065 6.009 -3.050 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -10.340 5.888 -5.316 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.144 2.796 -4.171 0.20 0.00 N ATOM 254 N BLYS A 13 -9.947 3.157 -3.885 0.80 0.00 N ATOM 255 CA ALYS A 13 -8.843 2.196 -4.442 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.684 2.492 -4.184 0.80 0.00 C ATOM 257 C ALYS A 13 -7.992 3.111 -5.316 0.20 0.00 C ATOM 258 C BLYS A 13 -7.876 3.291 -5.202 0.80 0.00 C ATOM 259 O ALYS A 13 -8.434 3.565 -6.372 0.20 0.00 O ATOM 260 O BLYS A 13 -8.366 3.607 -6.287 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.016 0.839 -5.127 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.942 1.081 -4.716 0.80 0.00 C ATOM 263 CG ALYS A 13 -7.968 -0.183 -4.727 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.689 0.380 -5.216 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.221 -1.529 -5.387 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.014 -0.961 -5.847 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.626 -2.668 -4.572 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.138 -2.056 -4.798 0.80 0.00 C ATOM 269 NZ ALYS A 13 -7.796 -3.982 -5.250 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.890 -2.860 -4.682 0.80 0.00 N ATOM 0 H ALYS A 13 -10.866 2.561 -4.852 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.741 2.816 -4.427 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.333 2.054 -3.489 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.108 2.427 -3.261 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.004 0.445 -4.890 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.393 0.481 -3.926 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -8.980 0.980 -6.207 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.667 1.135 -5.528 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -6.979 0.180 -5.007 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.184 1.013 -5.945 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.969 -0.302 -3.644 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -6.997 0.234 -4.386 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.294 -1.684 -5.502 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.946 -0.885 -6.406 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -7.790 -1.532 -6.388 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.235 -1.227 -6.561 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -6.565 -2.480 -4.405 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.372 -1.608 -3.832 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -8.102 -2.701 -3.592 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.970 -2.712 -5.055 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -7.378 -4.732 -4.663 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.125 -3.873 -4.713 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -8.809 -4.174 -5.387 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.253 -2.628 -5.471 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -7.320 -3.960 -6.174 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.419 -2.642 -3.781 0.80 0.00 H new ATOM 297 N AARG A 14 -6.770 3.381 -4.869 0.20 0.00 N ATOM 298 N BARG A 14 -6.638 3.613 -4.845 0.80 0.00 N ATOM 299 CA AARG A 14 -5.858 4.243 -5.610 0.20 0.00 C ATOM 300 CA BARG A 14 -5.762 4.375 -5.728 0.80 0.00 C ATOM 301 C AARG A 14 -4.515 3.553 -5.830 0.20 0.00 C ATOM 302 C BARG A 14 -4.487 3.595 -6.034 0.80 0.00 C ATOM 303 O AARG A 14 -4.176 2.597 -5.133 0.20 0.00 O ATOM 304 O BARG A 14 -4.202 2.579 -5.399 0.80 0.00 O ATOM 305 CB AARG A 14 -5.650 5.563 -4.864 0.20 0.00 C ATOM 306 CB BARG A 14 -5.411 5.722 -5.094 0.80 0.00 C ATOM 307 CG AARG A 14 -6.377 6.739 -5.492 0.20 0.00 C ATOM 308 CG BARG A 14 -6.624 6.548 -4.705 0.80 0.00 C ATOM 309 CD AARG A 14 -5.657 8.050 -5.219 0.20 0.00 C ATOM 310 CD BARG A 14 -7.120 7.394 -5.866 0.80 0.00 C ATOM 311 NE AARG A 14 -5.681 8.940 -6.377 0.20 0.00 N ATOM 312 NE BARG A 14 -6.087 8.301 -6.360 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.409 10.238 -6.314 0.20 0.00 C ATOM 314 CZ BARG A 14 -6.308 9.235 -7.280 0.80 0.00 C ATOM 315 NH1AARG A 14 -5.092 10.796 -5.155 0.20 0.00 N ATOM 316 NH1BARG A 14 -7.519 9.384 -7.801 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.452 10.980 -7.413 0.20 0.00 N ATOM 318 NH2BARG A 14 -5.317 10.021 -7.678 0.80 0.00 N ATOM 0 H AARG A 14 -6.389 3.015 -3.997 0.20 0.00 H new ATOM 0 H BARG A 14 -6.218 3.359 -3.951 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.304 4.450 -6.583 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.293 4.550 -6.664 0.80 0.00 H new ATOM 0 HB2AARG A 14 -5.988 5.446 -3.834 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.801 5.548 -4.207 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.583 5.785 -4.826 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.801 6.295 -5.793 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.459 6.585 -6.568 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.423 5.887 -4.369 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.392 6.792 -5.099 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.370 7.195 -3.865 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.122 8.549 -4.369 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.448 6.742 -6.676 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.623 7.845 -4.941 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.989 7.971 -5.549 0.80 0.00 H new ATOM 0 HE AARG A 14 -5.920 8.542 -7.285 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.145 8.213 -5.978 0.80 0.00 H new ATOM 0 HH11AARG A 14 -5.056 10.228 -4.308 0.20 0.00 H new ATOM 0 HH11BARG A 14 -8.283 8.781 -7.496 0.80 0.00 H new ATOM 0 HH12AARG A 14 -4.883 11.793 -5.109 0.20 0.00 H new ATOM 0 HH12BARG A 14 -7.686 10.101 -8.507 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.694 10.553 -8.307 0.20 0.00 H new ATOM 0 HH21BARG A 14 -4.385 9.909 -7.278 0.80 0.00 H new ATOM 0 HH22AARG A 14 -5.243 11.977 -7.364 0.20 0.00 H new ATOM 0 HH22BARG A 14 -5.486 10.738 -8.384 0.80 0.00 H new ATOM 345 N AMET A 15 -3.755 4.045 -6.802 0.20 0.00 N ATOM 346 N BMET A 15 -3.723 4.078 -7.009 0.80 0.00 N ATOM 347 CA AMET A 15 -2.448 3.475 -7.114 0.20 0.00 C ATOM 348 CA BMET A 15 -2.478 3.426 -7.398 0.80 0.00 C ATOM 349 C AMET A 15 -1.340 4.492 -6.864 0.20 0.00 C ATOM 350 C BMET A 15 -1.355 4.447 -7.549 0.80 0.00 C ATOM 351 O AMET A 15 -1.583 5.570 -6.324 0.20 0.00 O ATOM 352 O BMET A 15 -1.465 5.396 -8.324 0.80 0.00 O ATOM 353 CB AMET A 15 -2.407 3.005 -8.569 0.20 0.00 C ATOM 354 CB BMET A 15 -2.665 2.660 -8.708 0.80 0.00 C ATOM 355 CG AMET A 15 -2.112 1.521 -8.719 0.20 0.00 C ATOM 356 CG BMET A 15 -1.465 1.810 -9.092 0.80 0.00 C ATOM 357 SD AMET A 15 -1.752 1.053 -10.423 0.20 0.00 S ATOM 358 SD BMET A 15 -1.811 0.043 -9.009 0.80 0.00 S ATOM 359 CE AMET A 15 -0.417 -0.115 -10.180 0.20 0.00 C ATOM 360 CE BMET A 15 -0.374 -0.623 -9.846 0.80 0.00 C ATOM 0 H AMET A 15 -4.021 4.837 -7.388 0.20 0.00 H new ATOM 0 H BMET A 15 -3.944 4.918 -7.544 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.286 2.619 -6.459 0.20 0.00 H new ATOM 0 HA BMET A 15 -2.204 2.723 -6.611 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.364 3.227 -9.041 0.20 0.00 H new ATOM 0 HB2BMET A 15 -3.542 2.018 -8.622 0.80 0.00 H new ATOM 0 HB3AMET A 15 -1.648 3.574 -9.105 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.868 3.371 -9.509 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.264 1.257 -8.087 0.20 0.00 H new ATOM 0 HG2BMET A 15 -1.151 2.068 -10.103 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.967 0.947 -8.361 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.632 2.045 -8.430 0.80 0.00 H new ATOM 0 HE1AMET A 15 -0.085 -0.494 -11.146 0.20 0.00 H new ATOM 0 HE1BMET A 15 -0.442 -1.711 -9.875 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.414 0.382 -9.680 0.20 0.00 H new ATOM 0 HE2BMET A 15 -0.333 -0.234 -10.864 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.767 -0.945 -9.565 0.20 0.00 H new ATOM 0 HE3BMET A 15 0.528 -0.330 -9.309 0.80 0.00 H new ATOM 379 N ASER A 16 -0.120 4.139 -7.257 0.20 0.00 N ATOM 380 N BSER A 16 -0.275 4.246 -6.801 0.80 0.00 N ATOM 381 CA ASER A 16 1.029 5.018 -7.071 0.20 0.00 C ATOM 382 CA BSER A 16 0.868 5.153 -6.849 0.80 0.00 C ATOM 383 C ASER A 16 1.846 5.122 -8.354 0.20 0.00 C ATOM 384 C BSER A 16 1.450 5.219 -8.257 0.80 0.00 C ATOM 385 O ASER A 16 2.159 4.113 -8.988 0.20 0.00 O ATOM 386 O BSER A 16 0.887 4.661 -9.200 0.80 0.00 O ATOM 387 CB ASER A 16 1.909 4.508 -5.930 0.20 0.00 C ATOM 388 CB BSER A 16 1.945 4.702 -5.860 0.80 0.00 C ATOM 389 OG ASER A 16 1.734 5.288 -4.760 0.20 0.00 O ATOM 390 OG BSER A 16 2.570 5.814 -5.246 0.80 0.00 O ATOM 0 H ASER A 16 0.098 3.250 -7.707 0.20 0.00 H new ATOM 0 H BSER A 16 -0.167 3.464 -6.155 0.80 0.00 H new ATOM 0 HA ASER A 16 0.659 6.011 -6.816 0.20 0.00 H new ATOM 0 HA BSER A 16 0.523 6.149 -6.571 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.665 3.467 -5.716 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.499 4.065 -5.097 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.955 4.534 -6.235 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.692 4.102 -6.380 0.80 0.00 H new ATOM 0 HG ASER A 16 2.307 4.939 -4.046 0.20 0.00 H new ATOM 0 HG BSER A 16 3.479 5.569 -4.973 0.80 0.00 H new ATOM 401 N AARG A 17 2.192 6.350 -8.732 0.20 0.00 N ATOM 402 N BARG A 17 2.580 5.904 -8.393 0.80 0.00 N ATOM 403 CA AARG A 17 2.971 6.586 -9.940 0.20 0.00 C ATOM 404 CA BARG A 17 3.240 6.046 -9.685 0.80 0.00 C ATOM 405 C AARG A 17 4.369 7.093 -9.594 0.20 0.00 C ATOM 406 C BARG A 17 4.755 5.968 -9.535 0.80 0.00 C ATOM 407 O AARG A 17 4.883 8.011 -10.231 0.20 0.00 O ATOM 408 O BARG A 17 5.439 5.349 -10.348 0.80 0.00 O ATOM 409 CB AARG A 17 2.260 7.596 -10.842 0.20 0.00 C ATOM 410 CB BARG A 17 2.847 7.371 -10.340 0.80 0.00 C ATOM 411 CG AARG A 17 2.127 8.978 -10.224 0.20 0.00 C ATOM 412 CG BARG A 17 1.363 7.687 -10.237 0.80 0.00 C ATOM 413 CD AARG A 17 1.157 9.848 -11.007 0.20 0.00 C ATOM 414 CD BARG A 17 1.046 9.064 -10.795 0.80 0.00 C ATOM 415 NE AARG A 17 1.760 11.114 -11.413 0.20 0.00 N ATOM 416 NE BARG A 17 1.582 9.246 -12.141 0.80 0.00 N ATOM 417 CZ AARG A 17 2.583 11.238 -12.449 0.20 0.00 C ATOM 418 CZ BARG A 17 1.553 10.402 -12.795 0.80 0.00 C ATOM 419 NH1AARG A 17 2.897 10.178 -13.180 0.20 0.00 N ATOM 420 NH1BARG A 17 1.019 11.474 -12.228 0.80 0.00 N ATOM 421 NH2AARG A 17 3.092 12.424 -12.756 0.20 0.00 N ATOM 422 NH2BARG A 17 2.061 10.488 -14.016 0.80 0.00 N ATOM 0 H AARG A 17 1.944 7.195 -8.218 0.20 0.00 H new ATOM 0 H BARG A 17 3.059 6.370 -7.622 0.80 0.00 H new ATOM 0 HA AARG A 17 3.067 5.639 -10.472 0.20 0.00 H new ATOM 0 HA BARG A 17 2.915 5.224 -10.322 0.80 0.00 H new ATOM 0 HB2AARG A 17 2.806 7.679 -11.782 0.20 0.00 H new ATOM 0 HB2BARG A 17 3.414 8.178 -9.876 0.80 0.00 H new ATOM 0 HB3AARG A 17 1.266 7.218 -11.083 0.20 0.00 H new ATOM 0 HB3BARG A 17 3.132 7.345 -11.392 0.80 0.00 H new ATOM 0 HG2AARG A 17 1.784 8.885 -9.194 0.20 0.00 H new ATOM 0 HG2BARG A 17 0.791 6.934 -10.779 0.80 0.00 H new ATOM 0 HG3AARG A 17 3.105 9.459 -10.192 0.20 0.00 H new ATOM 0 HG3BARG A 17 1.051 7.635 -9.194 0.80 0.00 H new ATOM 0 HD2AARG A 17 0.819 9.308 -11.891 0.20 0.00 H new ATOM 0 HD2BARG A 17 -0.034 9.208 -10.813 0.80 0.00 H new ATOM 0 HD3AARG A 17 0.275 10.046 -10.398 0.20 0.00 H new ATOM 0 HD3BARG A 17 1.459 9.827 -10.134 0.80 0.00 H new ATOM 0 HE AARG A 17 1.537 11.949 -10.872 0.20 0.00 H new ATOM 0 HE BARG A 17 2.002 8.441 -12.605 0.80 0.00 H new ATOM 0 HH11AARG A 17 2.507 9.265 -12.948 0.20 0.00 H new ATOM 0 HH11BARG A 17 0.629 11.413 -11.287 0.80 0.00 H new ATOM 0 HH12AARG A 17 3.529 10.276 -13.975 0.20 0.00 H new ATOM 0 HH12BARG A 17 0.998 12.360 -12.732 0.80 0.00 H new ATOM 0 HH21AARG A 17 2.852 13.242 -12.197 0.20 0.00 H new ATOM 0 HH21BARG A 17 2.475 9.666 -14.455 0.80 0.00 H new ATOM 0 HH22AARG A 17 3.724 12.517 -13.551 0.20 0.00 H new ATOM 0 HH22BARG A 17 2.038 11.376 -14.517 0.80 0.00 H new ATOM 449 N AASN A 18 4.976 6.491 -8.576 0.20 0.00 N ATOM 450 N BASN A 18 5.273 6.603 -8.488 0.80 0.00 N ATOM 451 CA AASN A 18 6.312 6.881 -8.145 0.20 0.00 C ATOM 452 CA BASN A 18 6.710 6.608 -8.231 0.80 0.00 C ATOM 453 C AASN A 18 7.116 5.664 -7.693 0.20 0.00 C ATOM 454 C BASN A 18 7.085 5.527 -7.222 0.80 0.00 C ATOM 455 O AASN A 18 8.190 5.384 -8.226 0.20 0.00 O ATOM 456 O BASN A 18 8.066 5.658 -6.491 0.80 0.00 O ATOM 457 CB AASN A 18 6.227 7.900 -7.007 0.20 0.00 C ATOM 458 CB BASN A 18 7.151 7.979 -7.715 0.80 0.00 C ATOM 459 CG AASN A 18 7.592 8.321 -6.502 0.20 0.00 C ATOM 460 CG BASN A 18 8.658 8.144 -7.730 0.80 0.00 C ATOM 461 OD1AASN A 18 7.926 8.113 -5.336 0.20 0.00 O ATOM 462 OD1BASN A 18 9.388 7.251 -8.163 0.80 0.00 O ATOM 463 ND2AASN A 18 8.390 8.918 -7.381 0.20 0.00 N ATOM 464 ND2BASN A 18 9.133 9.289 -7.257 0.80 0.00 N ATOM 0 H AASN A 18 4.563 5.731 -8.035 0.20 0.00 H new ATOM 0 H BASN A 18 4.720 7.120 -7.804 0.80 0.00 H new ATOM 0 HA AASN A 18 6.821 7.336 -8.994 0.20 0.00 H new ATOM 0 HA BASN A 18 7.224 6.398 -9.169 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.683 8.780 -7.351 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.697 8.758 -8.327 0.80 0.00 H new ATOM 0 HB3AASN A 18 5.654 7.473 -6.184 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.783 8.117 -6.698 0.80 0.00 H new ATOM 0 HD21AASN A 18 9.321 9.224 -7.099 0.20 0.00 H new ATOM 0 HD21BASN A 18 10.139 9.457 -7.242 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.071 9.070 -8.338 0.20 0.00 H new ATOM 0 HD22BASN A 18 8.492 10.002 -6.908 0.80 0.00 H new ATOM 477 N ASER A 19 6.588 4.948 -6.705 0.20 0.00 N ATOM 478 N BSER A 19 6.296 4.458 -7.189 0.80 0.00 N ATOM 479 CA ASER A 19 7.257 3.764 -6.179 0.20 0.00 C ATOM 480 CA BSER A 19 6.545 3.353 -6.268 0.80 0.00 C ATOM 481 C ASER A 19 6.618 2.491 -6.726 0.20 0.00 C ATOM 482 C BSER A 19 5.945 2.056 -6.801 0.80 0.00 C ATOM 483 O ASER A 19 7.301 1.498 -6.973 0.20 0.00 O ATOM 484 O BSER A 19 6.665 1.114 -7.129 0.80 0.00 O ATOM 485 CB ASER A 19 7.201 3.759 -4.650 0.20 0.00 C ATOM 486 CB BSER A 19 5.961 3.671 -4.888 0.80 0.00 C ATOM 487 OG ASER A 19 5.976 3.217 -4.186 0.20 0.00 O ATOM 488 OG BSER A 19 4.576 3.967 -4.978 0.80 0.00 O ATOM 0 H ASER A 19 5.700 5.167 -6.253 0.20 0.00 H new ATOM 0 H BSER A 19 5.480 4.333 -7.788 0.80 0.00 H new ATOM 0 HA ASER A 19 8.299 3.793 -6.498 0.20 0.00 H new ATOM 0 HA BSER A 19 7.623 3.223 -6.177 0.80 0.00 H new ATOM 0 HB2ASER A 19 8.033 3.176 -4.254 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.113 2.823 -4.221 0.80 0.00 H new ATOM 0 HB3ASER A 19 7.317 4.776 -4.275 0.20 0.00 H new ATOM 0 HB3BSER A 19 6.490 4.518 -4.452 0.80 0.00 H new ATOM 0 HG ASER A 19 5.966 3.223 -3.206 0.20 0.00 H new ATOM 0 HG BSER A 19 4.194 4.024 -4.077 0.80 0.00 H new ATOM 499 N AGLY A 20 5.303 2.529 -6.913 0.20 0.00 N ATOM 500 N BGLY A 20 4.618 2.015 -6.884 0.80 0.00 N ATOM 501 CA AGLY A 20 4.593 1.373 -7.430 0.20 0.00 C ATOM 502 CA BGLY A 20 3.941 0.829 -7.377 0.80 0.00 C ATOM 503 C AGLY A 20 3.906 0.579 -6.335 0.20 0.00 C ATOM 504 C BGLY A 20 3.230 0.067 -6.276 0.80 0.00 C ATOM 505 O AGLY A 20 4.550 -0.188 -5.619 0.20 0.00 O ATOM 506 O BGLY A 20 3.151 -1.161 -6.312 0.80 0.00 O ATOM 0 H AGLY A 20 4.716 3.339 -6.716 0.20 0.00 H new ATOM 0 H BGLY A 20 4.000 2.782 -6.619 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.851 1.701 -8.157 0.20 0.00 H new ATOM 0 HA2BGLY A 20 3.218 1.118 -8.140 0.80 0.00 H new ATOM 0 HA3AGLY A 20 5.293 0.727 -7.959 0.20 0.00 H new ATOM 0 HA3BGLY A 20 4.667 0.173 -7.858 0.80 0.00 H new ATOM 513 N AARG A 21 2.596 0.762 -6.207 0.20 0.00 N ATOM 514 N BARG A 21 2.713 0.797 -5.292 0.80 0.00 N ATOM 515 CA AARG A 21 1.824 0.055 -5.191 0.20 0.00 C ATOM 516 CA BARG A 21 2.006 0.181 -4.176 0.80 0.00 C ATOM 517 C AARG A 21 0.369 0.520 -5.198 0.20 0.00 C ATOM 518 C BARG A 21 0.568 0.685 -4.098 0.80 0.00 C ATOM 519 O AARG A 21 -0.068 1.216 -6.113 0.20 0.00 O ATOM 520 O BARG A 21 0.317 1.888 -4.134 0.80 0.00 O ATOM 521 CB AARG A 21 2.435 0.279 -3.808 0.20 0.00 C ATOM 522 CB BARG A 21 2.731 0.477 -2.862 0.80 0.00 C ATOM 523 CG AARG A 21 2.860 -1.004 -3.115 0.20 0.00 C ATOM 524 CG BARG A 21 3.755 -0.581 -2.479 0.80 0.00 C ATOM 525 CD AARG A 21 4.101 -0.794 -2.261 0.20 0.00 C ATOM 526 CD BARG A 21 4.937 0.028 -1.742 0.80 0.00 C ATOM 527 NE AARG A 21 3.926 0.291 -1.299 0.20 0.00 N ATOM 528 NE BARG A 21 4.511 0.963 -0.703 0.80 0.00 N ATOM 529 CZ AARG A 21 4.666 0.428 -0.204 0.20 0.00 C ATOM 530 CZ BARG A 21 4.029 0.583 0.474 0.80 0.00 C ATOM 531 NH1AARG A 21 5.627 -0.445 0.064 0.20 0.00 N ATOM 532 NH1BARG A 21 3.909 -0.707 0.760 0.80 0.00 N ATOM 533 NH2AARG A 21 4.447 1.442 0.623 0.20 0.00 N ATOM 534 NH2BARG A 21 3.661 1.492 1.369 0.80 0.00 N ATOM 0 H AARG A 21 2.048 1.392 -6.792 0.20 0.00 H new ATOM 0 H BARG A 21 2.771 1.814 -5.246 0.80 0.00 H new ATOM 0 HA AARG A 21 1.851 -1.010 -5.423 0.20 0.00 H new ATOM 0 HA BARG A 21 1.987 -0.896 -4.341 0.80 0.00 H new ATOM 0 HB2AARG A 21 3.301 0.934 -3.905 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.231 1.442 -2.942 0.80 0.00 H new ATOM 0 HB3AARG A 21 1.711 0.798 -3.180 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.995 0.565 -2.063 0.80 0.00 H new ATOM 0 HG2AARG A 21 2.045 -1.368 -2.490 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.282 -1.335 -1.850 0.80 0.00 H new ATOM 0 HG3AARG A 21 3.057 -1.773 -3.861 0.20 0.00 H new ATOM 0 HG3BARG A 21 4.107 -1.089 -3.376 0.80 0.00 H new ATOM 0 HD2AARG A 21 4.335 -1.716 -1.729 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.533 -0.767 -1.293 0.80 0.00 H new ATOM 0 HD3AARG A 21 4.952 -0.573 -2.906 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.581 0.545 -2.454 0.80 0.00 H new ATOM 0 HE AARG A 21 3.196 0.981 -1.477 0.20 0.00 H new ATOM 0 HE BARG A 21 4.588 1.962 -0.893 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.800 -1.224 -0.571 0.20 0.00 H new ATOM 0 HH11BARG A 21 4.187 -1.409 0.075 0.80 0.00 H new ATOM 0 HH12AARG A 21 6.194 -0.337 0.905 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.538 -0.996 1.665 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.710 2.117 0.418 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.748 2.485 1.153 0.80 0.00 H new ATOM 0 HH22AARG A 21 5.015 1.547 1.463 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.291 1.197 2.273 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.376 0.125 -4.169 0.20 0.00 N ATOM 562 N BVAL A 22 -0.374 -0.248 -3.993 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.780 0.500 -4.054 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.788 0.100 -3.910 0.80 0.00 C ATOM 565 C AVAL A 22 -2.175 0.712 -2.598 0.20 0.00 C ATOM 566 C BVAL A 22 -2.167 0.527 -2.498 0.80 0.00 C ATOM 567 O AVAL A 22 -1.502 0.234 -1.684 0.20 0.00 O ATOM 568 O BVAL A 22 -1.684 -0.037 -1.515 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.699 -0.570 -4.674 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.682 -1.080 -4.336 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.748 -0.421 -6.187 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.150 -0.730 -4.153 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.230 -1.964 -4.283 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.394 -1.474 -5.777 0.80 0.00 C ATOM 0 H AVAL A 22 -0.030 -0.454 -3.404 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.184 -1.250 -3.963 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.904 1.435 -4.600 0.20 0.00 H new ATOM 0 HA BVAL A 22 -1.949 0.934 -4.593 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.708 -0.427 -4.286 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.455 -1.934 -3.698 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.402 -1.185 -6.607 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.766 -1.575 -4.459 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -3.133 0.566 -6.443 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.342 -0.502 -3.105 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.745 -0.537 -6.597 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.396 0.138 -4.764 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.890 -2.708 -4.729 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.035 -2.309 -6.061 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.213 -2.120 -4.642 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.592 -0.626 -6.433 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.251 -2.064 -3.198 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.349 -1.770 -5.871 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.271 1.434 -2.387 0.20 0.00 N ATOM 594 N BTYR A 23 -3.036 1.527 -2.401 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.756 1.711 -1.041 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.478 2.034 -1.107 0.80 0.00 C ATOM 597 C ATYR A 23 -5.178 2.264 -1.076 0.20 0.00 C ATOM 598 C BTYR A 23 -4.924 2.516 -1.177 0.80 0.00 C ATOM 599 O ATYR A 23 -5.797 2.348 -2.138 0.20 0.00 O ATOM 600 O BTYR A 23 -5.530 2.545 -2.249 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.829 2.704 -0.336 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.570 3.173 -0.643 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.428 3.876 -1.203 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.613 4.386 -1.543 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.118 5.080 -1.139 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.504 5.425 -1.299 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.358 3.780 -2.085 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.765 4.494 -2.637 0.80 0.00 C ATOM 609 CE1ATYR A 23 -2.756 6.154 -1.929 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.546 6.536 -2.119 0.80 0.00 C ATOM 611 CE2ATYR A 23 -0.989 4.848 -2.877 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.800 5.601 -3.462 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.689 6.034 -2.797 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.691 6.620 -3.199 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.324 7.100 -3.585 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.731 7.725 -4.019 0.80 0.00 O ATOM 0 H ATYR A 23 -3.840 1.838 -3.131 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.449 2.003 -3.203 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.764 0.773 -0.486 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.420 1.218 -0.387 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.324 3.078 0.560 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.859 3.469 0.366 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.931 2.181 -0.009 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.544 2.809 -0.587 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -3.952 5.178 -0.460 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.174 5.363 -0.455 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.806 2.854 -2.152 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -1.066 3.698 -2.847 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.305 7.082 -1.868 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.244 7.335 -1.916 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -0.155 4.756 -3.557 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.133 5.668 -4.309 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.353 6.835 -4.528 0.20 0.00 H new ATOM 0 HH BTYR A 23 -2.065 7.628 -4.731 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.688 2.639 0.090 0.20 0.00 N ATOM 636 N BTYR A 24 -5.470 2.896 -0.028 0.80 0.00 N ATOM 637 CA ATYR A 24 -7.038 3.184 0.195 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.845 3.376 0.045 0.80 0.00 C ATOM 639 C ATYR A 24 -7.002 4.666 0.552 0.20 0.00 C ATOM 640 C BTYR A 24 -6.902 4.777 0.644 0.80 0.00 C ATOM 641 O ATYR A 24 -6.112 5.123 1.270 0.20 0.00 O ATOM 642 O BTYR A 24 -6.193 5.085 1.603 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.840 2.413 1.245 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.699 2.418 0.876 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.654 0.914 1.172 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.454 0.961 0.563 0.80 0.00 C ATOM 647 CD1ATYR A 24 -8.534 0.120 0.446 0.20 0.00 C ATOM 648 CD1BTYR A 24 -7.889 0.403 -0.631 0.80 0.00 C ATOM 649 CD2ATYR A 24 -6.598 0.293 1.826 0.20 0.00 C ATOM 650 CD2BTYR A 24 -6.785 0.139 1.463 0.80 0.00 C ATOM 651 CE1ATYR A 24 -8.367 -1.249 0.376 0.20 0.00 C ATOM 652 CE1BTYR A 24 -7.667 -0.930 -0.923 0.80 0.00 C ATOM 653 CE2ATYR A 24 -6.422 -1.076 1.760 0.20 0.00 C ATOM 654 CE2BTYR A 24 -6.557 -1.193 1.182 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.311 -1.843 1.034 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.000 -1.724 -0.012 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.140 -3.207 0.968 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.776 -3.052 -0.297 0.80 0.00 O ATOM 0 H ATYR A 24 -5.188 2.576 0.977 0.20 0.00 H new ATOM 0 H BTYR A 24 -4.981 2.881 0.867 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.523 3.076 -0.775 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.242 3.418 -0.969 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.549 2.758 2.237 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.500 2.592 1.934 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.898 2.645 1.124 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.752 2.645 0.708 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -9.362 0.581 -0.072 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -8.411 1.022 -1.346 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -5.902 0.890 2.396 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -6.437 0.550 2.399 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -9.060 -1.852 -0.192 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -8.013 -1.347 -1.857 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -5.594 -1.543 2.273 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -6.035 -1.816 1.893 0.80 0.00 H new ATOM 0 HH ATYR A 24 -6.348 -3.463 1.486 0.20 0.00 H new ATOM 0 HH BTYR A 24 -6.293 -3.469 0.447 0.80 0.00 H new ATOM 677 N APHE A 25 -7.978 5.413 0.046 0.20 0.00 N ATOM 678 N BPHE A 25 -7.750 5.625 0.072 0.80 0.00 N ATOM 679 CA APHE A 25 -8.060 6.844 0.311 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.902 6.995 0.550 0.80 0.00 C ATOM 681 C APHE A 25 -9.475 7.242 0.721 0.20 0.00 C ATOM 682 C BPHE A 25 -9.375 7.356 0.712 0.80 0.00 C ATOM 683 O APHE A 25 -10.441 6.947 0.020 0.20 0.00 O ATOM 684 O BPHE A 25 -10.225 6.894 -0.048 0.80 0.00 O ATOM 685 CB APHE A 25 -7.633 7.638 -0.926 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.229 7.971 -0.418 0.80 0.00 C ATOM 687 CG APHE A 25 -7.844 9.119 -0.788 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.545 9.411 -0.131 0.80 0.00 C ATOM 689 CD1APHE A 25 -8.984 9.721 -1.295 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.482 10.094 -0.890 0.80 0.00 C ATOM 691 CD2APHE A 25 -6.900 9.911 -0.154 0.20 0.00 C ATOM 692 CD2BPHE A 25 -6.902 10.083 0.896 0.80 0.00 C ATOM 693 CE1APHE A 25 -9.182 11.082 -1.171 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.775 11.420 -0.628 0.80 0.00 C ATOM 695 CE2APHE A 25 -7.091 11.274 -0.028 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.191 11.408 1.164 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.233 11.861 -0.536 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.127 12.078 0.400 0.80 0.00 C ATOM 0 H APHE A 25 -8.723 5.051 -0.550 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.343 5.388 -0.723 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.384 7.075 1.134 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.420 7.069 1.525 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.579 7.446 -1.125 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.149 7.828 -0.374 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.192 7.278 -1.790 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.540 7.734 -1.435 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.728 9.118 -1.794 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -8.990 9.585 -1.696 0.80 0.00 H new ATOM 0 HD2APHE A 25 -6.005 9.458 0.246 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -6.166 9.566 1.494 0.80 0.00 H new ATOM 0 HE1APHE A 25 -10.077 11.537 -1.569 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.509 11.940 -1.226 0.80 0.00 H new ATOM 0 HE2APHE A 25 -6.347 11.880 0.468 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -6.685 11.919 1.970 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.384 12.926 -0.437 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.352 13.114 0.606 0.80 0.00 H new ATOM 717 N AASN A 26 -9.586 7.914 1.862 0.20 0.00 N ATOM 718 N BASN A 26 -9.670 8.182 1.709 0.80 0.00 N ATOM 719 CA AASN A 26 -10.883 8.351 2.369 0.20 0.00 C ATOM 720 CA BASN A 26 -11.040 8.606 1.973 0.80 0.00 C ATOM 721 C AASN A 26 -11.165 9.795 1.968 0.20 0.00 C ATOM 722 C BASN A 26 -11.248 10.061 1.569 0.80 0.00 C ATOM 723 O AASN A 26 -10.488 10.719 2.420 0.20 0.00 O ATOM 724 O BASN A 26 -10.516 10.949 2.007 0.80 0.00 O ATOM 725 CB AASN A 26 -10.933 8.214 3.891 0.20 0.00 C ATOM 726 CB BASN A 26 -11.376 8.422 3.456 0.80 0.00 C ATOM 727 CG AASN A 26 -12.303 8.533 4.456 0.20 0.00 C ATOM 728 CG BASN A 26 -12.871 8.425 3.714 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.683 9.697 4.573 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.635 9.069 2.994 0.80 0.00 O ATOM 731 ND2AASN A 26 -13.055 7.495 4.810 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.294 7.704 4.745 0.80 0.00 N ATOM 0 H AASN A 26 -8.795 8.168 2.453 0.20 0.00 H new ATOM 0 H BASN A 26 -8.978 8.572 2.349 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.650 7.713 1.929 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.707 7.984 1.376 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.655 7.198 4.171 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.951 7.482 3.808 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.195 8.880 4.337 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.909 9.220 4.034 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.987 7.648 5.196 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.289 7.668 4.968 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.700 6.546 4.696 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.624 7.186 5.314 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.167 9.983 1.115 0.20 0.00 N ATOM 746 N BHIS A 27 -12.252 10.299 0.730 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.538 11.316 0.654 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.559 11.648 0.267 0.80 0.00 C ATOM 749 C AHIS A 27 -13.642 11.905 1.528 0.20 0.00 C ATOM 750 C BHIS A 27 -13.364 12.411 1.313 0.80 0.00 C ATOM 751 O AHIS A 27 -14.522 12.614 1.037 0.20 0.00 O ATOM 752 O BHIS A 27 -13.436 13.640 1.279 0.80 0.00 O ATOM 753 CB AHIS A 27 -12.999 11.265 -0.804 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.330 11.594 -1.051 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.342 10.627 -0.986 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.531 10.698 -1.006 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.150 10.876 -2.074 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.767 11.119 -0.563 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.016 9.745 -0.210 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.678 9.399 -1.353 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.266 10.174 -1.960 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.623 10.115 -0.638 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.208 9.480 -0.838 0.20 0.00 N ATOM 764 NE2BHIS A 27 -15.987 9.060 -1.115 0.80 0.00 N ATOM 0 H AHIS A 27 -12.736 9.230 0.729 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.866 9.575 0.357 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.659 11.957 0.727 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.618 12.174 0.106 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.031 12.279 -1.202 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.648 12.602 -1.318 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.262 10.716 -1.390 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.661 11.252 -1.840 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.679 9.328 0.728 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.909 8.749 -1.744 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -17.085 10.169 -2.664 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.665 10.151 -0.357 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.932 8.849 -0.494 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.401 8.143 -1.280 0.80 0.00 H new ATOM 779 N AILE A 28 -13.590 11.607 2.821 0.20 0.00 N ATOM 780 N BILE A 28 -13.970 11.676 2.240 0.80 0.00 N ATOM 781 CA AILE A 28 -14.584 12.107 3.760 0.20 0.00 C ATOM 782 CA BILE A 28 -14.770 12.285 3.295 0.80 0.00 C ATOM 783 C AILE A 28 -13.921 12.811 4.941 0.20 0.00 C ATOM 784 C BILE A 28 -13.896 12.724 4.465 0.80 0.00 C ATOM 785 O AILE A 28 -14.403 13.839 5.417 0.20 0.00 O ATOM 786 O BILE A 28 -14.010 13.848 4.953 0.80 0.00 O ATOM 787 CB AILE A 28 -15.478 10.971 4.292 0.20 0.00 C ATOM 788 CB BILE A 28 -15.851 11.316 3.811 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.182 10.262 3.132 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.825 10.959 2.685 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.497 11.517 5.283 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.594 11.932 4.987 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.074 11.173 2.320 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.949 10.049 3.127 0.80 0.00 C ATOM 0 H AILE A 28 -12.869 11.021 3.242 0.20 0.00 H new ATOM 0 H BILE A 28 -13.922 10.658 2.281 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.202 12.820 3.214 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.254 13.159 2.859 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.850 10.246 4.810 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.367 10.400 4.151 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.431 9.823 2.476 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.250 11.877 2.278 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.779 9.440 3.528 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.274 10.477 1.877 0.80 0.00 H new ATOM 0 HG21AILE A 28 -17.121 10.702 5.650 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.355 11.236 5.341 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.977 11.981 6.121 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.890 12.141 5.793 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.124 12.259 4.789 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.070 12.860 4.671 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.540 10.604 1.516 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.601 9.837 2.279 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.848 11.592 2.963 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.533 9.116 3.507 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.478 11.981 1.895 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.524 10.537 3.914 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.810 12.249 5.409 0.20 0.00 N ATOM 818 N BTHR A 29 -13.021 11.828 4.911 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.079 12.822 6.533 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.126 12.120 6.023 0.80 0.00 C ATOM 821 C ATHR A 29 -10.623 13.082 6.165 0.20 0.00 C ATOM 822 C BTHR A 29 -10.811 12.712 5.529 0.80 0.00 C ATOM 823 O ATHR A 29 -9.745 13.074 7.027 0.20 0.00 O ATOM 824 O BTHR A 29 -10.079 13.343 6.290 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.130 11.900 7.765 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.828 10.857 6.852 0.80 0.00 C ATOM 827 OG1ATHR A 29 -12.998 10.789 7.510 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.892 9.696 6.018 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.615 12.659 8.989 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.819 10.717 8.000 0.80 0.00 C ATOM 0 H ATHR A 29 -12.397 11.398 5.027 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.913 10.893 4.518 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.563 13.767 6.777 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.635 12.848 6.655 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.122 11.535 7.960 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.824 10.951 7.267 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -13.024 10.206 8.298 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.988 8.897 6.577 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.643 11.987 9.847 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.589 9.818 8.572 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.936 13.485 9.197 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.748 11.589 8.650 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.615 13.050 8.802 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.831 10.644 7.601 0.80 0.00 H new ATOM 845 N AASN A 30 -10.373 13.310 4.880 0.20 0.00 N ATOM 846 N BASN A 30 -10.515 12.502 4.250 0.80 0.00 N ATOM 847 CA AASN A 30 -9.020 13.572 4.400 0.20 0.00 C ATOM 848 CA BASN A 30 -9.287 13.014 3.655 0.80 0.00 C ATOM 849 C AASN A 30 -8.036 12.547 4.956 0.20 0.00 C ATOM 850 C BASN A 30 -8.061 12.379 4.304 0.80 0.00 C ATOM 851 O AASN A 30 -6.885 12.870 5.244 0.20 0.00 O ATOM 852 O BASN A 30 -7.232 13.071 4.897 0.80 0.00 O ATOM 853 CB AASN A 30 -8.580 14.983 4.794 0.20 0.00 C ATOM 854 CB BASN A 30 -9.223 14.538 3.797 0.80 0.00 C ATOM 855 CG AASN A 30 -9.136 16.042 3.861 0.20 0.00 C ATOM 856 CG BASN A 30 -8.312 15.176 2.769 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.122 16.707 4.175 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.765 15.909 1.890 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.500 16.206 2.707 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.016 14.900 2.874 0.80 0.00 N ATOM 0 H AASN A 30 -11.088 13.319 4.153 0.20 0.00 H new ATOM 0 H BASN A 30 -11.110 11.980 3.606 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.026 13.491 3.313 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.290 12.754 2.596 0.80 0.00 H new ATOM 0 HB2AASN A 30 -8.907 15.192 5.813 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.226 14.952 3.696 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.491 15.035 4.792 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.872 14.793 4.797 0.80 0.00 H new ATOM 0 HD21AASN A 30 -8.826 16.906 2.040 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.354 15.301 2.210 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.686 15.632 2.487 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.684 14.287 3.618 0.80 0.00 H new ATOM 873 N AALA A 31 -8.501 11.310 5.104 0.20 0.00 N ATOM 874 N BALA A 31 -7.954 11.060 4.189 0.80 0.00 N ATOM 875 CA AALA A 31 -7.663 10.237 5.623 0.20 0.00 C ATOM 876 CA BALA A 31 -6.829 10.332 4.764 0.80 0.00 C ATOM 877 C AALA A 31 -7.135 9.357 4.496 0.20 0.00 C ATOM 878 C BALA A 31 -6.559 9.044 3.993 0.80 0.00 C ATOM 879 O AALA A 31 -7.688 9.343 3.397 0.20 0.00 O ATOM 880 O BALA A 31 -7.431 8.536 3.290 0.80 0.00 O ATOM 881 CB AALA A 31 -8.437 9.400 6.630 0.20 0.00 C ATOM 882 CB BALA A 31 -7.091 10.026 6.230 0.80 0.00 C ATOM 0 H AALA A 31 -9.453 11.027 4.872 0.20 0.00 H new ATOM 0 H BALA A 31 -8.632 10.473 3.703 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.808 10.690 6.125 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.943 10.963 4.690 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.797 8.603 7.008 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.243 9.482 6.645 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.758 10.032 7.458 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.228 10.959 6.778 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.311 8.965 6.146 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.991 9.417 6.319 0.80 0.00 H new ATOM 893 N ASER A 32 -6.061 8.623 4.775 0.20 0.00 N ATOM 894 N BSER A 32 -5.344 8.521 4.130 0.80 0.00 N ATOM 895 CA ASER A 32 -5.457 7.745 3.782 0.20 0.00 C ATOM 896 CA BSER A 32 -4.958 7.293 3.444 0.80 0.00 C ATOM 897 C ASER A 32 -4.508 6.750 4.443 0.20 0.00 C ATOM 898 C BSER A 32 -4.536 6.221 4.444 0.80 0.00 C ATOM 899 O ASER A 32 -3.312 7.014 4.575 0.20 0.00 O ATOM 900 O BSER A 32 -4.052 6.529 5.534 0.80 0.00 O ATOM 901 CB ASER A 32 -4.706 8.564 2.733 0.20 0.00 C ATOM 902 CB BSER A 32 -3.816 7.571 2.465 0.80 0.00 C ATOM 903 OG ASER A 32 -4.765 7.943 1.461 0.20 0.00 O ATOM 904 OG BSER A 32 -3.770 6.589 1.444 0.80 0.00 O ATOM 0 H ASER A 32 -5.593 8.620 5.681 0.20 0.00 H new ATOM 0 H BSER A 32 -4.610 8.929 4.710 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.256 7.189 3.292 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.823 6.927 2.890 0.80 0.00 H new ATOM 0 HB2ASER A 32 -5.135 9.564 2.673 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.946 8.557 2.020 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.665 8.681 3.036 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.868 7.586 3.002 0.80 0.00 H new ATOM 0 HG ASER A 32 -5.178 7.058 1.548 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.589 6.051 1.470 0.80 0.00 H new ATOM 915 N AGLN A 33 -5.048 5.608 4.856 0.20 0.00 N ATOM 916 N BGLN A 33 -4.726 4.961 4.066 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.248 4.576 5.503 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.366 3.843 4.930 0.80 0.00 C ATOM 919 C AGLN A 33 -3.971 3.420 4.546 0.20 0.00 C ATOM 920 C BGLN A 33 -4.040 2.603 4.106 0.80 0.00 C ATOM 921 O AGLN A 33 -4.680 3.237 3.556 0.20 0.00 O ATOM 922 O BGLN A 33 -4.791 2.226 3.205 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.961 4.058 6.754 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.506 3.538 5.904 0.80 0.00 C ATOM 925 CG AGLN A 33 -6.390 3.605 6.495 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.142 2.507 6.960 0.80 0.00 C ATOM 927 CD AGLN A 33 -7.028 2.967 7.713 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.218 2.349 8.016 0.80 0.00 C ATOM 929 OE1AGLN A 33 -7.031 3.544 8.802 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.401 3.220 8.867 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.575 1.771 7.537 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.937 1.234 7.968 0.80 0.00 N ATOM 0 H AGLN A 33 -6.036 5.375 4.754 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.127 4.689 3.168 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.295 5.019 5.793 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.478 4.124 5.497 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -4.393 3.224 7.167 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.808 4.461 6.398 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.969 4.844 7.510 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.368 3.181 5.341 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.988 4.461 6.183 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.967 1.545 6.478 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.398 2.893 5.670 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.207 2.798 7.440 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -7.550 1.329 6.618 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.752 0.538 7.245 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -8.020 1.294 8.321 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.675 1.073 8.654 0.80 0.00 H new ATOM 949 N APHE A 34 -2.938 2.642 4.848 0.20 0.00 N ATOM 950 N BPHE A 34 -2.913 1.970 4.419 0.80 0.00 N ATOM 951 CA APHE A 34 -2.566 1.505 4.014 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.484 0.771 3.706 0.80 0.00 C ATOM 953 C APHE A 34 -3.418 0.285 4.350 0.20 0.00 C ATOM 954 C BPHE A 34 -3.231 -0.459 4.214 0.80 0.00 C ATOM 955 O APHE A 34 -3.703 -0.543 3.484 0.20 0.00 O ATOM 956 O BPHE A 34 -3.522 -1.380 3.452 0.80 0.00 O ATOM 957 CB APHE A 34 -1.084 1.173 4.196 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.977 0.570 3.865 0.80 0.00 C ATOM 959 CG APHE A 34 -0.168 2.061 3.402 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.168 1.785 3.507 0.80 0.00 C ATOM 961 CD1APHE A 34 0.609 3.019 4.033 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.685 2.362 4.434 0.80 0.00 C ATOM 963 CD2APHE A 34 -0.086 1.936 2.025 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.263 2.350 2.246 0.80 0.00 C ATOM 965 CE1APHE A 34 1.452 3.837 3.305 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.430 3.478 4.107 0.80 0.00 C ATOM 967 CE2APHE A 34 0.756 2.751 1.292 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.479 3.466 1.913 0.80 0.00 C ATOM 969 CZ APHE A 34 1.526 3.702 1.932 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.326 4.033 2.846 0.80 0.00 C ATOM 0 H APHE A 34 -2.343 2.778 5.665 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.280 2.267 5.162 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.743 1.776 2.973 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.715 0.903 2.649 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.829 1.254 5.253 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.763 0.292 4.897 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.914 0.136 3.905 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.662 -0.264 3.238 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.555 3.128 5.106 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.768 1.935 5.422 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.686 1.194 1.519 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.926 1.912 1.514 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.052 4.581 3.809 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.094 3.917 4.837 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.812 2.644 0.219 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.397 3.895 0.925 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.185 4.339 1.360 0.20 0.00 H new ATOM 0 HZ BPHE A 34 1.905 4.908 2.590 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.819 0.179 5.612 0.20 0.00 N ATOM 990 N BGLU A 35 -3.536 -0.465 5.509 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.637 -0.941 6.062 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.246 -1.584 6.120 0.80 0.00 C ATOM 993 C AGLU A 35 -6.061 -0.826 5.526 0.20 0.00 C ATOM 994 C BGLU A 35 -5.727 -1.551 5.757 0.80 0.00 C ATOM 995 O AGLU A 35 -6.613 0.271 5.433 0.20 0.00 O ATOM 996 O BGLU A 35 -6.380 -0.513 5.864 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.658 -1.005 7.591 0.20 0.00 C ATOM 998 CB BGLU A 35 -4.080 -1.551 7.640 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.699 -2.420 8.141 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.644 -1.350 8.092 0.80 0.00 C ATOM 1001 CD AGLU A 35 -4.042 -2.535 9.503 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.309 -2.145 9.340 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -4.119 -1.563 10.283 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -3.250 -2.603 10.022 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -3.451 -3.598 9.790 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -1.107 -2.308 9.635 0.80 0.00 O ATOM 0 H AGLU A 35 -3.591 0.855 6.341 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.303 0.290 6.154 0.80 0.00 H new ATOM 0 HA AGLU A 35 -4.195 -1.859 5.674 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.817 -2.509 5.735 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.774 -0.499 7.979 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.696 -0.749 8.047 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.526 -0.457 7.957 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.456 -2.485 8.058 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.736 -2.748 8.213 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.969 -1.642 7.287 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -4.200 -3.092 7.443 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.472 -0.291 8.283 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.649 -1.965 5.176 0.20 0.00 N ATOM 1020 N BARG A 36 -6.251 -2.694 5.326 0.80 0.00 N ATOM 1021 CA AARG A 36 -8.008 -1.992 4.648 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.655 -2.796 4.945 0.80 0.00 C ATOM 1023 C AARG A 36 -9.000 -1.448 5.672 0.20 0.00 C ATOM 1024 C BARG A 36 -8.558 -2.254 6.048 0.80 0.00 C ATOM 1025 O AARG A 36 -8.953 -1.783 6.856 0.20 0.00 O ATOM 1026 O BARG A 36 -8.709 -2.858 7.113 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.395 -3.417 4.252 0.20 0.00 C ATOM 1028 CB BARG A 36 -8.018 -4.251 4.640 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.823 -3.541 3.743 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.462 -4.439 4.203 0.80 0.00 C ATOM 1031 CD AARG A 36 -10.204 -4.994 3.502 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.958 -5.843 4.507 0.80 0.00 C ATOM 1033 NE AARG A 36 -11.497 -5.326 4.096 0.20 0.00 N ATOM 1034 NE BARG A 36 -11.191 -5.830 5.287 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.661 -5.620 5.381 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.624 -6.869 5.994 0.80 0.00 C ATOM 1037 NH1AARG A 36 -10.620 -5.624 6.202 0.20 0.00 N ATOM 1038 NH1BARG A 36 -10.927 -7.996 6.019 0.80 0.00 N ATOM 1039 NH2AARG A 36 -12.869 -5.912 5.846 0.20 0.00 N ATOM 1040 NH2BARG A 36 -12.759 -6.780 6.678 0.80 0.00 N ATOM 0 H AARG A 36 -6.206 -2.881 5.248 0.20 0.00 H new ATOM 0 H BARG A 36 -5.724 -3.562 5.232 0.80 0.00 H new ATOM 0 HA AARG A 36 -8.041 -1.356 3.764 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.807 -2.196 4.048 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.711 -3.769 3.480 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.358 -4.625 3.857 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.267 -4.072 5.114 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.834 -4.856 5.528 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.508 -3.099 4.467 0.20 0.00 H new ATOM 0 HG2BARG A 36 -10.095 -3.711 4.711 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.931 -2.977 2.817 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.548 -4.245 3.134 0.80 0.00 H new ATOM 0 HD2AARG A 36 -10.237 -5.187 2.430 0.20 0.00 H new ATOM 0 HD2BARG A 36 -10.126 -6.379 3.573 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.435 -5.644 3.919 0.20 0.00 H new ATOM 0 HD3BARG A 36 -9.189 -6.389 5.054 0.80 0.00 H new ATOM 0 HE AARG A 36 -12.318 -5.332 3.491 0.20 0.00 H new ATOM 0 HE BARG A 36 -11.751 -4.977 5.290 0.80 0.00 H new ATOM 0 HH11AARG A 36 -9.690 -5.401 5.847 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.055 -8.068 5.495 0.80 0.00 H new ATOM 0 HH12AARG A 36 -10.749 -5.850 7.188 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.262 -8.791 6.563 0.80 0.00 H new ATOM 0 HH21AARG A 36 -13.672 -5.911 5.217 0.20 0.00 H new ATOM 0 HH21BARG A 36 -13.298 -5.914 6.661 0.80 0.00 H new ATOM 0 HH22AARG A 36 -12.995 -6.138 6.833 0.20 0.00 H new ATOM 0 HH22BARG A 36 -13.091 -7.577 7.221 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.920 -0.591 5.208 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.174 -1.091 5.793 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.941 0.017 6.066 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.072 -0.443 6.753 0.80 0.00 C ATOM 1071 C APRO A 37 -11.980 -0.995 6.537 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.380 -1.209 6.930 0.80 0.00 C ATOM 1073 O APRO A 37 -12.486 -1.791 5.747 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.709 -2.086 6.133 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.590 1.066 5.161 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.336 0.928 6.125 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.359 0.565 3.777 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.121 0.721 4.664 0.80 0.00 C ATOM 1079 CD APRO A 37 -10.035 -0.147 3.808 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.039 -0.318 4.547 0.80 0.00 C ATOM 0 HA APRO A 37 -10.511 0.430 6.979 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.634 -0.392 7.750 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.654 1.168 5.373 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.350 1.270 6.332 0.80 0.00 H new ATOM 0 HB3APRO A 37 -11.140 2.048 5.307 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.658 1.683 6.522 0.80 0.00 H new ATOM 0 HG2APRO A 37 -12.157 -0.110 3.468 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.038 0.386 4.178 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.343 1.388 3.062 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.824 1.650 4.178 0.80 0.00 H new ATOM 0 HD2APRO A 37 -10.015 -0.989 3.116 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.178 -0.946 3.667 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.216 0.515 3.528 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.052 0.137 4.461 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.293 -0.959 7.828 0.20 0.00 N ATOM 1096 N BSER A 38 -12.120 -0.868 7.980 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.270 -1.875 8.405 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.391 -1.525 8.263 0.80 0.00 C ATOM 1099 C ASER A 38 -14.676 -1.551 7.911 0.20 0.00 C ATOM 1100 C BSER A 38 -14.468 -0.500 8.612 0.80 0.00 C ATOM 1101 O ASER A 38 -15.359 -2.404 7.341 0.20 0.00 O ATOM 1102 O BSER A 38 -14.178 0.679 8.800 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.226 -1.808 9.933 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.229 -2.523 9.412 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.307 -0.468 10.385 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.448 -3.193 9.682 0.80 0.00 O ATOM 0 H ASER A 38 -11.884 -0.305 8.495 0.20 0.00 H new ATOM 0 H BSER A 38 -11.862 -0.142 8.648 0.80 0.00 H new ATOM 0 HA ASER A 38 -13.015 -2.886 8.086 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.702 -2.061 7.366 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.050 -2.387 10.350 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.459 -3.251 9.159 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.303 -2.262 10.294 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.892 -2.000 10.307 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.279 -0.451 11.364 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.317 -3.826 10.419 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.105 -0.313 8.132 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.711 -0.964 8.697 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.426 0.104 7.703 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.812 -0.076 9.022 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.485 -0.151 8.758 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.156 -0.777 8.972 0.80 0.00 C ATOM 1123 O AGLY A 39 -18.659 0.160 8.557 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.204 -1.994 9.149 0.80 0.00 O ATOM 0 H AGLY A 39 -14.560 0.410 8.602 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.975 -1.938 8.547 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.407 1.167 7.460 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.659 0.338 10.018 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.692 -0.427 6.789 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.817 0.762 8.325 0.80 0.00 H new