USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 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= -0.61 K(o=-2,f=-15!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -1.43 K(o=-2,f=-12!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 2.1: A 16 SER OG B: rot 180:sc= 0 USER MOD Set 2.2: A 18 ASN A: amide:sc= -0.158 K(o=-0.16,f=-4.9!) USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ -147:sc= -0.53 (180deg=-2.22!) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.168 USER MOD Single : A 23 TYR OH A: rot 80:sc= 1.29 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= -2.45 X(o=-2.4,f=-2.3) USER MOD Single : A 27 HIS B:FLIP no HE2:sc= -0.215 F(o=-1.5,f=-0.21) USER MOD Single : A 29 THR OG1B: rot 180:sc= 0 USER MOD Single : A 30 ASN A: amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.439 X(o=0.44,f=-0.043) USER MOD Single : A 32 SER OG A: rot -38:sc= -0.37! USER MOD Single : A 32 SER OG B: rot 34:sc= 0.925 USER MOD Single : A 33 GLN A: amide:sc= 0.868 K(o=0.87,f=-0.027) USER MOD Single : A 33 GLN B: amide:sc= 0.998 K(o=1,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0275 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.276 USER MOD ----------------------------------------------------------------- ATOM 67 N ALEU A 7 -15.175 -2.604 -0.323 0.20 0.00 N ATOM 68 N BLEU A 7 -15.187 -2.723 -0.753 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.934 -1.585 0.691 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.667 -1.753 0.206 0.80 0.00 C ATOM 71 C ALEU A 7 -16.211 -0.811 1.000 0.20 0.00 C ATOM 72 C BLEU A 7 -15.800 -0.959 0.846 0.80 0.00 C ATOM 73 O ALEU A 7 -17.117 -0.704 0.173 0.20 0.00 O ATOM 74 O BLEU A 7 -16.884 -0.810 0.279 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.842 -0.621 0.226 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.687 -0.802 -0.483 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.948 -1.120 -0.912 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.205 -1.163 -0.361 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.069 0.007 -1.433 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.972 -2.608 -0.770 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.096 -2.290 -0.444 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.357 -0.222 -1.206 0.80 0.00 C ATOM 0 HA ALEU A 7 -14.604 -2.086 1.601 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.143 -2.299 0.991 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.316 0.308 -0.091 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.943 -0.753 -1.541 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.209 -0.381 1.080 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.832 0.197 -0.073 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.585 -1.462 -1.727 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.907 -1.051 0.682 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.440 -0.366 -2.241 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.912 -2.846 -0.677 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.697 0.816 -1.806 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.551 -3.267 -0.123 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.439 0.380 -0.626 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.286 -2.748 -1.804 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.466 -2.633 -1.265 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.306 -0.493 -1.108 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.467 -1.972 0.388 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.656 -0.302 -2.251 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.743 -3.104 -0.119 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.501 0.803 -0.865 0.80 0.00 H new ATOM 105 N APRO A 8 -16.289 -0.254 2.218 0.20 0.00 N ATOM 106 N BPRO A 8 -15.547 -0.434 2.054 0.80 0.00 N ATOM 107 CA APRO A 8 -17.450 0.522 2.664 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.534 0.358 2.796 0.80 0.00 C ATOM 109 C APRO A 8 -17.566 1.858 1.939 0.20 0.00 C ATOM 110 C BPRO A 8 -16.790 1.716 2.151 0.80 0.00 C ATOM 111 O APRO A 8 -16.657 2.288 1.228 0.20 0.00 O ATOM 112 O BPRO A 8 -16.070 2.148 1.249 0.80 0.00 O ATOM 113 CB APRO A 8 -17.179 0.743 4.153 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.885 0.532 4.172 0.80 0.00 C ATOM 115 CG APRO A 8 -15.698 0.657 4.286 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.421 0.408 3.920 0.80 0.00 C ATOM 117 CD APRO A 8 -15.247 -0.341 3.255 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.278 -0.572 2.788 0.80 0.00 C ATOM 0 HA APRO A 8 -18.388 0.006 2.461 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.509 -0.129 2.828 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.550 1.713 4.483 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.131 1.501 4.606 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.676 -0.012 4.762 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.232 -0.228 4.872 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.234 1.629 4.118 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.987 1.373 3.658 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.414 0.338 5.289 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.900 0.055 4.810 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.263 -0.092 2.858 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.421 -0.335 2.157 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.177 -1.346 3.672 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.133 -1.589 3.153 0.80 0.00 H new ATOM 133 N APRO A 9 -18.710 2.533 2.121 0.20 0.00 N ATOM 134 N BPRO A 9 -17.839 2.406 2.620 0.80 0.00 N ATOM 135 CA APRO A 9 -18.972 3.832 1.495 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.215 3.725 2.105 0.80 0.00 C ATOM 137 C APRO A 9 -18.108 4.944 2.080 0.20 0.00 C ATOM 138 C BPRO A 9 -17.209 4.804 2.490 0.80 0.00 C ATOM 139 O APRO A 9 -18.211 5.266 3.263 0.20 0.00 O ATOM 140 O BPRO A 9 -16.759 4.871 3.632 0.80 0.00 O ATOM 141 CB APRO A 9 -20.450 4.085 1.804 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.566 3.994 2.769 0.80 0.00 C ATOM 143 CG APRO A 9 -20.717 3.298 3.040 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.547 3.179 4.016 0.80 0.00 C ATOM 145 CD APRO A 9 -19.836 2.083 2.956 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.741 1.951 3.694 0.80 0.00 C ATOM 0 HA APRO A 9 -18.741 3.823 0.430 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.250 3.743 1.016 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.646 5.146 1.960 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.694 5.054 2.991 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.088 3.760 0.982 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.391 3.703 2.119 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.491 3.883 3.931 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.099 3.735 4.839 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.768 3.015 3.103 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.558 2.913 4.324 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.501 1.761 3.942 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.185 1.596 4.562 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.358 1.239 2.505 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.376 1.129 3.364 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.253 5.526 1.244 0.20 0.00 N ATOM 162 N BGLY A 10 -16.860 5.651 1.524 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.382 6.595 1.698 0.20 0.00 C ATOM 164 CA BGLY A 10 -15.909 6.717 1.782 0.80 0.00 C ATOM 165 C AGLY A 10 -14.934 6.363 1.318 0.20 0.00 C ATOM 166 C BGLY A 10 -14.471 6.262 1.626 0.80 0.00 C ATOM 167 O AGLY A 10 -14.173 7.315 1.137 0.20 0.00 O ATOM 168 O BGLY A 10 -13.583 6.736 2.335 0.80 0.00 O ATOM 0 H AGLY A 10 -17.148 5.276 0.261 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.219 5.617 0.570 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.719 7.540 1.272 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.101 7.544 1.099 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.460 6.688 2.781 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.059 7.097 2.793 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.550 5.098 1.201 0.20 0.00 N ATOM 176 N BTRP A 11 -14.241 5.342 0.697 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.180 4.746 0.843 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.901 4.822 0.451 0.80 0.00 C ATOM 179 C ATRP A 11 -13.055 4.504 -0.656 0.20 0.00 C ATOM 180 C BTRP A 11 -12.700 4.510 -1.027 0.80 0.00 C ATOM 181 O ATRP A 11 -13.944 3.923 -1.277 0.20 0.00 O ATOM 182 O BTRP A 11 -13.603 4.002 -1.691 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.736 3.500 1.612 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.659 3.563 1.289 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.279 3.794 3.008 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.591 3.835 2.760 0.80 0.00 C ATOM 187 CD1ATRP A 11 -12.970 3.563 4.163 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.630 3.821 3.647 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.030 4.377 3.396 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.420 4.161 3.519 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.225 3.967 5.246 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.177 4.119 4.909 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.030 4.468 4.801 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.826 4.332 4.857 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.909 4.827 2.693 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.071 4.326 3.197 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -9.956 4.993 5.514 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -10.928 4.658 5.870 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.843 5.349 3.400 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.181 4.651 4.204 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.872 5.428 4.800 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.612 4.812 5.528 0.80 0.00 C ATOM 0 H ATRP A 11 -15.166 4.299 1.348 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.965 4.940 0.101 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.533 5.581 1.112 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.182 5.588 0.741 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.564 2.792 1.650 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.458 2.847 1.095 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.926 3.015 1.067 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.728 3.096 0.969 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -13.957 3.127 4.218 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.658 3.607 3.393 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.515 3.904 6.222 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.754 4.173 5.749 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.877 4.768 1.615 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.729 4.202 2.180 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -9.977 5.055 6.592 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.259 4.785 6.890 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.973 5.702 2.866 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.136 4.783 3.966 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.023 5.840 5.325 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -8.892 5.062 6.293 0.80 0.00 H new ATOM 223 N AGLU A 12 -11.943 4.952 -1.232 0.20 0.00 N ATOM 224 N BGLU A 12 -11.510 4.817 -1.537 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.704 4.785 -2.661 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.193 4.569 -2.937 0.80 0.00 C ATOM 227 C AGLU A 12 -10.378 4.072 -2.910 0.20 0.00 C ATOM 228 C BGLU A 12 -9.829 3.901 -3.076 0.80 0.00 C ATOM 229 O AGLU A 12 -9.430 4.211 -2.138 0.20 0.00 O ATOM 230 O BGLU A 12 -8.876 4.258 -2.383 0.80 0.00 O ATOM 231 CB AGLU A 12 -11.704 6.145 -3.364 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.216 5.878 -3.728 0.80 0.00 C ATOM 233 CG AGLU A 12 -11.129 6.103 -4.770 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.588 6.528 -3.792 0.80 0.00 C ATOM 235 CD AGLU A 12 -11.932 5.216 -5.701 0.20 0.00 C ATOM 236 CD BGLU A 12 -13.545 5.779 -4.697 0.80 0.00 C ATOM 237 OE1AGLU A 12 -11.475 4.989 -6.841 0.20 0.00 O ATOM 238 OE1BGLU A 12 -13.068 5.047 -5.591 0.80 0.00 O ATOM 239 OE2AGLU A 12 -13.015 4.750 -5.291 0.20 0.00 O ATOM 240 OE2BGLU A 12 -14.772 5.921 -4.513 0.80 0.00 O ATOM 0 H AGLU A 12 -11.195 5.432 -0.732 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.751 5.238 -1.001 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.509 4.174 -3.069 0.20 0.00 H new ATOM 0 HA BGLU A 12 -11.950 3.896 -3.341 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.726 6.521 -3.410 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -10.513 6.578 -3.276 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -11.130 6.853 -2.767 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.867 5.686 -4.743 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.096 7.114 -5.176 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.009 6.580 -2.788 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.101 5.743 -4.728 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -12.484 7.553 -4.148 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.321 3.304 -3.993 0.20 0.00 N ATOM 254 N BLYS A 13 -9.741 2.928 -3.977 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.113 2.568 -4.347 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.494 2.210 -4.209 0.80 0.00 C ATOM 257 C ALYS A 13 -8.180 3.428 -5.192 0.20 0.00 C ATOM 258 C BLYS A 13 -7.644 2.921 -5.257 0.80 0.00 C ATOM 259 O ALYS A 13 -8.563 3.918 -6.255 0.20 0.00 O ATOM 260 O BLYS A 13 -8.040 3.041 -6.416 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.474 1.290 -5.107 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.784 0.776 -4.659 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.461 0.171 -4.933 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.534 -0.033 -4.957 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.787 -1.019 -5.820 0.20 0.00 C ATOM 266 CD BLYS A 13 -7.861 -1.306 -5.720 0.80 0.00 C ATOM 267 CE ALYS A 13 -8.156 -2.297 -5.290 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.050 -2.486 -4.780 0.80 0.00 C ATOM 269 NZ ALYS A 13 -6.676 -2.297 -5.460 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.755 -3.133 -4.432 0.80 0.00 N ATOM 0 H ALYS A 13 -11.098 3.175 -4.641 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.520 2.619 -4.559 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.597 2.301 -3.425 0.20 0.00 H new ATOM 0 HA BLYS A 13 -7.938 2.185 -3.272 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.450 0.941 -4.770 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.358 0.270 -3.883 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.567 1.522 -6.168 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.410 0.804 -5.551 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.464 0.541 -5.171 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -6.838 0.572 -5.538 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -8.443 -0.146 -3.890 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.032 -0.286 -4.023 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.868 -1.144 -5.881 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.768 -1.157 -6.306 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.431 -0.828 -6.832 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.059 -1.525 -6.424 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -8.400 -2.412 -4.234 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.543 -2.148 -3.869 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -8.581 -3.155 -5.811 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.708 -3.219 -5.246 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -6.284 -3.185 -5.087 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -6.902 -4.154 -4.300 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -6.443 -2.213 -6.470 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.072 -2.978 -5.201 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -6.267 -1.493 -4.942 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.386 -2.720 -3.552 0.80 0.00 H new ATOM 297 N AARG A 14 -6.951 3.608 -4.714 0.20 0.00 N ATOM 298 N BARG A 14 -6.471 3.389 -4.841 0.80 0.00 N ATOM 299 CA AARG A 14 -5.964 4.408 -5.428 0.20 0.00 C ATOM 300 CA BARG A 14 -5.563 4.088 -5.743 0.80 0.00 C ATOM 301 C AARG A 14 -4.630 3.673 -5.515 0.20 0.00 C ATOM 302 C BARG A 14 -4.213 3.380 -5.813 0.80 0.00 C ATOM 303 O AARG A 14 -4.365 2.752 -4.744 0.20 0.00 O ATOM 304 O BARG A 14 -3.916 2.509 -4.997 0.80 0.00 O ATOM 305 CB AARG A 14 -5.772 5.757 -4.731 0.20 0.00 C ATOM 306 CB BARG A 14 -5.370 5.535 -5.287 0.80 0.00 C ATOM 307 CG AARG A 14 -6.666 6.857 -5.278 0.20 0.00 C ATOM 308 CG BARG A 14 -6.674 6.293 -5.100 0.80 0.00 C ATOM 309 CD AARG A 14 -5.945 8.196 -5.309 0.20 0.00 C ATOM 310 CD BARG A 14 -6.866 7.345 -6.181 0.80 0.00 C ATOM 311 NE AARG A 14 -6.237 8.944 -6.529 0.20 0.00 N ATOM 312 NE BARG A 14 -5.760 8.299 -6.220 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.567 10.031 -6.902 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.719 9.342 -7.042 0.80 0.00 C ATOM 315 NH1AARG A 14 -4.575 10.491 -6.154 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.716 9.566 -7.885 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.893 10.658 -8.025 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.678 10.164 -7.018 0.80 0.00 N ATOM 0 H AARG A 14 -6.617 3.210 -3.836 0.20 0.00 H new ATOM 0 H BARG A 14 -6.127 3.297 -3.885 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.332 4.578 -6.440 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.007 4.085 -6.739 0.80 0.00 H new ATOM 0 HB2AARG A 14 -5.968 5.637 -3.666 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.818 5.540 -4.347 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.731 6.063 -4.831 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.756 6.059 -6.020 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.993 6.595 -6.284 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.509 5.593 -5.119 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.562 6.939 -4.663 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.681 6.771 -4.120 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.239 8.787 -4.442 0.20 0.00 H new ATOM 0 HD2BARG A 14 -6.957 6.856 -7.151 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.870 8.031 -5.233 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.800 7.879 -6.005 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.995 8.615 -7.127 0.20 0.00 H new ATOM 0 HE BARG A 14 -4.977 8.157 -5.582 0.80 0.00 H new ATOM 0 HH11AARG A 14 -4.323 10.011 -5.290 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.519 8.937 -7.904 0.80 0.00 H new ATOM 0 HH12AARG A 14 -4.063 11.325 -6.442 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.681 10.368 -8.515 0.80 0.00 H new ATOM 0 HH21AARG A 14 -6.657 10.307 -8.602 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.910 9.995 -6.369 0.80 0.00 H new ATOM 0 HH22AARG A 14 -5.379 11.492 -8.311 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.646 10.965 -7.649 0.80 0.00 H new ATOM 345 N AMET A 15 -3.793 4.088 -6.460 0.20 0.00 N ATOM 346 N BMET A 15 -3.401 3.761 -6.794 0.80 0.00 N ATOM 347 CA AMET A 15 -2.486 3.470 -6.649 0.20 0.00 C ATOM 348 CA BMET A 15 -2.083 3.163 -6.969 0.80 0.00 C ATOM 349 C AMET A 15 -1.369 4.494 -6.477 0.20 0.00 C ATOM 350 C BMET A 15 -1.021 4.239 -7.167 0.80 0.00 C ATOM 351 O AMET A 15 -1.617 5.637 -6.087 0.20 0.00 O ATOM 352 O BMET A 15 -1.196 5.159 -7.965 0.80 0.00 O ATOM 353 CB AMET A 15 -2.395 2.828 -8.034 0.20 0.00 C ATOM 354 CB BMET A 15 -2.087 2.208 -8.164 0.80 0.00 C ATOM 355 CG AMET A 15 -1.665 1.494 -8.041 0.20 0.00 C ATOM 356 CG BMET A 15 -0.702 1.716 -8.553 0.80 0.00 C ATOM 357 SD AMET A 15 -0.330 1.440 -9.251 0.20 0.00 S ATOM 358 SD BMET A 15 -0.738 0.098 -9.348 0.80 0.00 S ATOM 359 CE AMET A 15 -1.057 0.393 -10.510 0.20 0.00 C ATOM 360 CE BMET A 15 -0.914 0.568 -11.067 0.80 0.00 C ATOM 0 H AMET A 15 -3.997 4.850 -7.107 0.20 0.00 H new ATOM 0 H BMET A 15 -3.633 4.480 -7.479 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.366 2.697 -5.890 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.843 2.602 -6.066 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.402 2.683 -8.425 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.716 1.349 -7.930 0.80 0.00 H new ATOM 0 HB3AMET A 15 -1.886 3.515 -8.711 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.539 2.711 -9.019 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.258 1.301 -7.048 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.240 2.438 -9.227 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.376 0.696 -8.254 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.075 1.665 -7.663 0.80 0.00 H new ATOM 0 HE1AMET A 15 -0.350 0.264 -11.329 0.20 0.00 H new ATOM 0 HE1BMET A 15 -0.951 -0.328 -11.687 0.80 0.00 H new ATOM 0 HE2AMET A 15 -1.296 -0.580 -10.081 0.20 0.00 H new ATOM 0 HE2BMET A 15 -1.835 1.137 -11.196 0.80 0.00 H new ATOM 0 HE3AMET A 15 -1.968 0.857 -10.887 0.20 0.00 H new ATOM 0 HE3BMET A 15 -0.064 1.181 -11.366 0.80 0.00 H new ATOM 379 N ASER A 16 -0.141 4.080 -6.769 0.20 0.00 N ATOM 380 N BSER A 16 0.083 4.117 -6.434 0.80 0.00 N ATOM 381 CA ASER A 16 1.014 4.962 -6.643 0.20 0.00 C ATOM 382 CA BSER A 16 1.172 5.083 -6.528 0.80 0.00 C ATOM 383 C ASER A 16 1.572 5.326 -8.015 0.20 0.00 C ATOM 384 C BSER A 16 1.695 5.177 -7.957 0.80 0.00 C ATOM 385 O ASER A 16 1.161 4.769 -9.032 0.20 0.00 O ATOM 386 O BSER A 16 1.324 4.379 -8.819 0.80 0.00 O ATOM 387 CB ASER A 16 2.101 4.294 -5.798 0.20 0.00 C ATOM 388 CB BSER A 16 2.310 4.691 -5.583 0.80 0.00 C ATOM 389 OG ASER A 16 2.534 5.151 -4.755 0.20 0.00 O ATOM 390 OG BSER A 16 2.909 5.837 -5.003 0.80 0.00 O ATOM 0 H ASER A 16 0.081 3.139 -7.095 0.20 0.00 H new ATOM 0 H BSER A 16 0.246 3.360 -5.770 0.80 0.00 H new ATOM 0 HA ASER A 16 0.690 5.877 -6.148 0.20 0.00 H new ATOM 0 HA BSER A 16 0.784 6.059 -6.237 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.718 3.365 -5.375 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.926 4.040 -4.797 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.948 4.030 -6.431 0.20 0.00 H new ATOM 0 HB3BSER A 16 3.061 4.122 -6.130 0.80 0.00 H new ATOM 0 HG ASER A 16 3.227 4.701 -4.228 0.20 0.00 H new ATOM 0 HG BSER A 16 3.632 5.560 -4.402 0.80 0.00 H new ATOM 401 N AARG A 17 2.511 6.266 -8.034 0.20 0.00 N ATOM 402 N BARG A 17 2.555 6.159 -8.203 0.80 0.00 N ATOM 403 CA AARG A 17 3.125 6.708 -9.280 0.20 0.00 C ATOM 404 CA BARG A 17 3.127 6.360 -9.529 0.80 0.00 C ATOM 405 C AARG A 17 4.631 6.463 -9.261 0.20 0.00 C ATOM 406 C BARG A 17 4.645 6.209 -9.494 0.80 0.00 C ATOM 407 O AARG A 17 5.234 6.164 -10.291 0.20 0.00 O ATOM 408 O BARG A 17 5.268 5.874 -10.500 0.80 0.00 O ATOM 409 CB AARG A 17 2.844 8.193 -9.514 0.20 0.00 C ATOM 410 CB BARG A 17 2.753 7.745 -10.064 0.80 0.00 C ATOM 411 CG AARG A 17 1.387 8.577 -9.311 0.20 0.00 C ATOM 412 CG BARG A 17 1.293 8.106 -9.845 0.80 0.00 C ATOM 413 CD AARG A 17 1.157 10.056 -9.583 0.20 0.00 C ATOM 414 CD BARG A 17 1.001 9.531 -10.292 0.80 0.00 C ATOM 415 NE AARG A 17 1.695 10.465 -10.878 0.20 0.00 N ATOM 416 NE BARG A 17 1.553 9.814 -11.614 0.80 0.00 N ATOM 417 CZ AARG A 17 1.843 11.733 -11.244 0.20 0.00 C ATOM 418 CZ BARG A 17 1.722 11.042 -12.091 0.80 0.00 C ATOM 419 NH1AARG A 17 1.495 12.710 -10.418 0.20 0.00 N ATOM 420 NH1BARG A 17 1.381 12.095 -11.360 0.80 0.00 N ATOM 421 NH2AARG A 17 2.339 12.024 -12.440 0.20 0.00 N ATOM 422 NH2BARG A 17 2.231 11.220 -13.304 0.80 0.00 N ATOM 0 H AARG A 17 2.863 6.736 -7.200 0.20 0.00 H new ATOM 0 H BARG A 17 2.871 6.828 -7.501 0.80 0.00 H new ATOM 0 HA AARG A 17 2.689 6.129 -10.095 0.20 0.00 H new ATOM 0 HA BARG A 17 2.719 5.599 -10.194 0.80 0.00 H new ATOM 0 HB2AARG A 17 3.464 8.782 -8.838 0.20 0.00 H new ATOM 0 HB2BARG A 17 3.381 8.494 -9.581 0.80 0.00 H new ATOM 0 HB3AARG A 17 3.142 8.455 -10.529 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.973 7.785 -11.131 0.80 0.00 H new ATOM 0 HG2AARG A 17 0.757 7.982 -9.973 0.20 0.00 H new ATOM 0 HG2BARG A 17 0.658 7.413 -10.397 0.80 0.00 H new ATOM 0 HG3AARG A 17 1.087 8.343 -8.290 0.20 0.00 H new ATOM 0 HG3BARG A 17 1.044 7.996 -8.790 0.80 0.00 H new ATOM 0 HD2AARG A 17 0.088 10.268 -9.551 0.20 0.00 H new ATOM 0 HD2BARG A 17 -0.077 9.692 -10.307 0.80 0.00 H new ATOM 0 HD3AARG A 17 1.623 10.646 -8.794 0.20 0.00 H new ATOM 0 HD3BARG A 17 1.418 10.231 -9.568 0.80 0.00 H new ATOM 0 HE AARG A 17 1.972 9.737 -11.537 0.20 0.00 H new ATOM 0 HE BARG A 17 1.823 9.026 -12.203 0.80 0.00 H new ATOM 0 HH11AARG A 17 1.112 12.489 -9.499 0.20 0.00 H new ATOM 0 HH11BARG A 17 0.988 11.963 -10.428 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.610 13.683 -10.702 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.512 13.037 -11.730 0.80 0.00 H new ATOM 0 HH21AARG A 17 2.606 11.274 -13.078 0.20 0.00 H new ATOM 0 HH21BARG A 17 2.493 10.413 -13.871 0.80 0.00 H new ATOM 0 HH22AARG A 17 2.453 12.998 -12.722 0.20 0.00 H new ATOM 0 HH22BARG A 17 2.360 12.163 -13.669 0.80 0.00 H new ATOM 449 N AASN A 18 5.231 6.588 -8.082 0.20 0.00 N ATOM 450 N BASN A 18 5.234 6.462 -8.329 0.80 0.00 N ATOM 451 CA AASN A 18 6.666 6.380 -7.930 0.20 0.00 C ATOM 452 CA BASN A 18 6.679 6.356 -8.165 0.80 0.00 C ATOM 453 C AASN A 18 6.949 5.179 -7.031 0.20 0.00 C ATOM 454 C BASN A 18 7.102 4.899 -8.004 0.80 0.00 C ATOM 455 O AASN A 18 7.750 5.263 -6.100 0.20 0.00 O ATOM 456 O BASN A 18 7.996 4.420 -8.701 0.80 0.00 O ATOM 457 CB AASN A 18 7.326 7.632 -7.349 0.20 0.00 C ATOM 458 CB BASN A 18 7.136 7.168 -6.950 0.80 0.00 C ATOM 459 CG AASN A 18 6.758 8.008 -5.993 0.20 0.00 C ATOM 460 CG BASN A 18 6.761 8.633 -7.062 0.80 0.00 C ATOM 461 OD1AASN A 18 5.851 7.351 -5.483 0.20 0.00 O ATOM 462 OD1BASN A 18 5.982 9.150 -6.261 0.80 0.00 O ATOM 463 ND2AASN A 18 7.295 9.069 -5.401 0.20 0.00 N ATOM 464 ND2BASN A 18 7.316 9.312 -8.061 0.80 0.00 N ATOM 0 H AASN A 18 4.746 6.832 -7.218 0.20 0.00 H new ATOM 0 H BASN A 18 4.733 6.742 -7.486 0.80 0.00 H new ATOM 0 HA AASN A 18 7.085 6.181 -8.916 0.20 0.00 H new ATOM 0 HA BASN A 18 7.152 6.757 -9.061 0.80 0.00 H new ATOM 0 HB2AASN A 18 8.399 7.464 -7.257 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.690 6.749 -6.048 0.80 0.00 H new ATOM 0 HB3AASN A 18 7.192 8.464 -8.040 0.20 0.00 H new ATOM 0 HB3BASN A 18 8.217 7.079 -6.842 0.80 0.00 H new ATOM 0 HD21AASN A 18 6.957 9.368 -4.486 0.20 0.00 H new ATOM 0 HD21BASN A 18 7.101 10.301 -8.187 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.046 9.584 -5.861 0.20 0.00 H new ATOM 0 HD22BASN A 18 7.957 8.844 -8.702 0.80 0.00 H new ATOM 477 N ASER A 19 6.288 4.063 -7.320 0.20 0.00 N ATOM 478 N BSER A 19 6.454 4.198 -7.077 0.80 0.00 N ATOM 479 CA ASER A 19 6.466 2.846 -6.536 0.20 0.00 C ATOM 480 CA BSER A 19 6.765 2.798 -6.822 0.80 0.00 C ATOM 481 C ASER A 19 5.764 1.666 -7.200 0.20 0.00 C ATOM 482 C BSER A 19 5.705 1.885 -7.433 0.80 0.00 C ATOM 483 O ASER A 19 6.408 0.772 -7.747 0.20 0.00 O ATOM 484 O BSER A 19 5.996 1.087 -8.323 0.80 0.00 O ATOM 485 CB ASER A 19 5.927 3.043 -5.118 0.20 0.00 C ATOM 486 CB BSER A 19 6.866 2.542 -5.317 0.80 0.00 C ATOM 487 OG ASER A 19 6.967 2.951 -4.160 0.20 0.00 O ATOM 488 OG BSER A 19 5.659 2.886 -4.659 0.80 0.00 O ATOM 0 H ASER A 19 5.625 3.976 -8.090 0.20 0.00 H new ATOM 0 H BSER A 19 5.711 4.578 -6.491 0.80 0.00 H new ATOM 0 HA ASER A 19 7.533 2.630 -6.484 0.20 0.00 H new ATOM 0 HA BSER A 19 7.725 2.575 -7.288 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.443 4.017 -5.042 0.20 0.00 H new ATOM 0 HB2BSER A 19 7.095 1.491 -5.138 0.80 0.00 H new ATOM 0 HB3ASER A 19 5.166 2.291 -4.907 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.689 3.123 -4.901 0.80 0.00 H new ATOM 0 HG ASER A 19 6.597 3.082 -3.262 0.20 0.00 H new ATOM 0 HG BSER A 19 5.749 2.712 -3.699 0.80 0.00 H new ATOM 499 N AGLY A 20 4.434 1.670 -7.147 0.20 0.00 N ATOM 500 N BGLY A 20 4.474 2.011 -6.949 0.80 0.00 N ATOM 501 CA AGLY A 20 3.665 0.595 -7.746 0.20 0.00 C ATOM 502 CA BGLY A 20 3.389 1.193 -7.459 0.80 0.00 C ATOM 503 C AGLY A 20 2.645 0.011 -6.790 0.20 0.00 C ATOM 504 C BGLY A 20 2.679 0.425 -6.362 0.80 0.00 C ATOM 505 O AGLY A 20 1.582 -0.447 -7.210 0.20 0.00 O ATOM 506 O BGLY A 20 2.160 -0.668 -6.597 0.80 0.00 O ATOM 0 H AGLY A 20 3.877 2.398 -6.700 0.20 0.00 H new ATOM 0 H BGLY A 20 4.208 2.665 -6.213 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.155 0.968 -8.634 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.671 1.829 -7.977 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.343 -0.193 -8.075 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.782 0.491 -8.195 0.80 0.00 H new ATOM 513 N AARG A 21 2.968 0.025 -5.500 0.20 0.00 N ATOM 514 N BARG A 21 2.655 0.995 -5.162 0.80 0.00 N ATOM 515 CA AARG A 21 2.071 -0.511 -4.482 0.20 0.00 C ATOM 516 CA BARG A 21 2.004 0.355 -4.026 0.80 0.00 C ATOM 517 C AARG A 21 0.700 0.156 -4.560 0.20 0.00 C ATOM 518 C BARG A 21 0.545 0.788 -3.920 0.80 0.00 C ATOM 519 O AARG A 21 0.472 1.031 -5.393 0.20 0.00 O ATOM 520 O BARG A 21 0.242 1.980 -3.860 0.80 0.00 O ATOM 521 CB AARG A 21 2.670 -0.310 -3.088 0.20 0.00 C ATOM 522 CB BARG A 21 2.743 0.694 -2.731 0.80 0.00 C ATOM 523 CG AARG A 21 4.115 -0.770 -2.976 0.20 0.00 C ATOM 524 CG BARG A 21 3.650 -0.421 -2.235 0.80 0.00 C ATOM 525 CD AARG A 21 5.021 0.355 -2.496 0.20 0.00 C ATOM 526 CD BARG A 21 4.910 0.131 -1.589 0.80 0.00 C ATOM 527 NE AARG A 21 4.497 1.007 -1.300 0.20 0.00 N ATOM 528 NE BARG A 21 4.618 1.216 -0.656 0.80 0.00 N ATOM 529 CZ AARG A 21 4.520 0.454 -0.093 0.20 0.00 C ATOM 530 CZ BARG A 21 4.023 1.034 0.518 0.80 0.00 C ATOM 531 NH1AARG A 21 5.035 -0.757 0.076 0.20 0.00 N ATOM 532 NH1BARG A 21 3.662 -0.182 0.902 0.80 0.00 N ATOM 533 NH2AARG A 21 4.025 1.109 0.949 0.20 0.00 N ATOM 534 NH2BARG A 21 3.792 2.072 1.313 0.80 0.00 N ATOM 0 H AARG A 21 3.843 0.401 -5.135 0.20 0.00 H new ATOM 0 H BARG A 21 3.079 1.899 -4.951 0.80 0.00 H new ATOM 0 HA AARG A 21 1.948 -1.578 -4.667 0.20 0.00 H new ATOM 0 HA BARG A 21 2.034 -0.723 -4.182 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.612 0.746 -2.825 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.339 1.593 -2.888 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.067 -0.853 -2.360 0.20 0.00 H new ATOM 0 HB3BARG A 21 2.012 0.928 -1.957 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.178 -1.610 -2.284 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.111 -1.037 -1.515 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.460 -1.129 -3.946 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.921 -1.069 -3.069 0.80 0.00 H new ATOM 0 HD2AARG A 21 6.014 -0.044 -2.286 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.428 -0.670 -1.062 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.135 1.093 -3.290 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.586 0.492 -2.364 0.80 0.00 H new ATOM 0 HE AARG A 21 4.091 1.938 -1.397 0.20 0.00 H new ATOM 0 HE BARG A 21 4.885 2.164 -0.920 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.415 -1.266 -0.722 0.20 0.00 H new ATOM 0 HH11BARG A 21 3.841 -0.982 0.296 0.80 0.00 H new ATOM 0 HH12AARG A 21 5.051 -1.179 1.004 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.205 -0.317 1.804 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.626 2.039 0.824 0.20 0.00 H new ATOM 0 HH21BARG A 21 4.071 3.009 1.022 0.80 0.00 H new ATOM 0 HH22AARG A 21 4.044 0.682 1.875 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.335 1.932 2.214 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.206 -0.266 -3.684 0.20 0.00 N ATOM 562 N BVAL A 22 -0.356 -0.189 -3.897 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.554 0.292 -3.652 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.785 0.090 -3.797 0.80 0.00 C ATOM 565 C AVAL A 22 -1.977 0.625 -2.227 0.20 0.00 C ATOM 566 C BVAL A 22 -2.157 0.558 -2.394 0.80 0.00 C ATOM 567 O AVAL A 22 -1.339 0.201 -1.262 0.20 0.00 O ATOM 568 O BVAL A 22 -1.668 0.021 -1.401 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.578 -0.681 -4.267 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.626 -1.150 -4.153 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.500 -0.649 -5.784 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.104 -0.875 -3.929 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.353 -2.091 -3.742 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.366 -1.574 -5.590 0.80 0.00 C ATOM 0 H AVAL A 22 -0.032 -0.991 -2.988 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.122 -1.181 -3.946 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.533 1.207 -4.244 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.003 0.884 -4.511 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.578 -0.363 -3.973 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.330 -1.969 -3.497 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.230 -1.343 -6.201 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.682 -1.763 -4.186 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.714 0.359 -6.138 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.273 -0.623 -2.882 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.499 -0.941 -6.103 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.419 -0.042 -4.558 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.085 -2.766 -4.186 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -2.968 -2.452 -5.825 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.348 -2.421 -4.005 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.633 -0.760 -6.264 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.465 -2.098 -2.658 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.310 -1.815 -5.713 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.059 1.385 -2.098 0.20 0.00 N ATOM 594 N BTYR A 23 -3.025 1.560 -2.322 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.567 1.777 -0.788 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.462 2.100 -1.040 0.80 0.00 C ATOM 597 C ATYR A 23 -5.011 2.262 -0.889 0.20 0.00 C ATOM 598 C BTYR A 23 -4.913 2.566 -1.112 0.80 0.00 C ATOM 599 O ATYR A 23 -5.621 2.219 -1.957 0.20 0.00 O ATOM 600 O BTYR A 23 -5.536 2.533 -2.172 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.689 2.873 -0.184 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.562 3.264 -0.620 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.317 3.962 -1.168 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.617 4.443 -1.565 0.80 0.00 C ATOM 605 CD1ATYR A 23 -1.182 3.848 -1.963 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.713 4.561 -2.614 0.80 0.00 C ATOM 607 CD2ATYR A 23 -3.097 5.103 -1.300 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.572 5.441 -1.408 0.80 0.00 C ATOM 609 CE1ATYR A 23 -0.838 4.839 -2.861 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.759 5.637 -3.479 0.80 0.00 C ATOM 611 CE2ATYR A 23 -2.761 6.099 -2.196 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.626 6.520 -2.269 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.630 5.962 -2.974 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.717 6.614 -3.303 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.290 6.953 -3.868 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.768 7.687 -4.161 0.80 0.00 O ATOM 0 H ATYR A 23 -3.601 1.742 -2.885 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.440 2.015 -3.135 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.540 0.902 -0.138 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.390 1.306 -0.296 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.212 3.321 0.661 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.852 3.595 0.377 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.777 2.422 0.208 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.533 2.911 -0.553 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -0.559 2.970 -1.877 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -0.962 3.798 -2.755 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -3.982 5.214 -0.691 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.284 5.372 -0.599 0.80 0.00 H new ATOM 0 HE1ATYR A 23 0.047 4.735 -3.472 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -1.049 5.713 -4.289 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -3.380 6.979 -2.287 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.375 7.286 -2.134 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.571 6.691 -4.769 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.501 8.282 -3.898 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.550 2.726 0.232 0.20 0.00 N ATOM 636 N BTYR A 24 -5.445 3.000 0.026 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.922 3.219 0.274 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.824 3.470 0.094 0.80 0.00 C ATOM 639 C ATYR A 24 -6.955 4.717 0.565 0.20 0.00 C ATOM 640 C BTYR A 24 -6.886 4.894 0.640 0.80 0.00 C ATOM 641 O ATYR A 24 -6.095 5.242 1.272 0.20 0.00 O ATOM 642 O BTYR A 24 -6.241 5.219 1.638 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.725 2.464 1.337 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.659 2.537 0.972 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.584 0.962 1.247 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.416 1.070 0.701 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.485 0.313 1.800 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.695 0.289 1.592 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.547 0.189 0.610 0.20 0.00 C ATOM 650 CD2BTYR A 24 -7.909 0.467 -0.450 0.80 0.00 C ATOM 651 CE1ATYR A 24 -6.351 -1.058 1.721 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.470 -1.053 1.348 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.422 -1.183 0.529 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.691 -0.873 -0.704 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.323 -1.803 1.084 0.20 0.00 C ATOM 656 CZ BTYR A 24 -6.970 -1.629 0.200 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.194 -3.171 1.003 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.749 -2.964 -0.049 0.80 0.00 O ATOM 0 H ATYR A 24 -5.058 2.771 1.124 0.20 0.00 H new ATOM 0 H BTYR A 24 -4.943 3.036 0.913 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.373 3.047 -0.704 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.234 3.469 -0.916 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.403 2.792 2.325 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.440 2.745 2.019 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.778 2.728 1.241 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.716 2.756 0.818 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -5.723 0.892 2.300 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.302 0.737 2.493 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -9.408 0.670 0.171 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.472 1.056 -1.158 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -5.491 -1.545 2.155 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -5.906 -1.646 2.052 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -9.182 -1.768 0.033 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -8.081 -1.327 -1.603 0.80 0.00 H new ATOM 0 HH ATYR A 24 -7.963 -3.544 0.525 0.20 0.00 H new ATOM 0 HH BTYR A 24 -7.169 -3.212 -0.899 0.80 0.00 H new ATOM 677 N APHE A 25 -7.955 5.397 0.016 0.20 0.00 N ATOM 678 N BPHE A 25 -7.669 5.740 -0.022 0.80 0.00 N ATOM 679 CA APHE A 25 -8.100 6.835 0.214 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.818 7.129 0.396 0.80 0.00 C ATOM 681 C APHE A 25 -9.562 7.205 0.446 0.20 0.00 C ATOM 682 C BPHE A 25 -9.282 7.462 0.668 0.80 0.00 C ATOM 683 O APHE A 25 -10.399 7.060 -0.444 0.20 0.00 O ATOM 684 O BPHE A 25 -10.181 6.915 0.032 0.80 0.00 O ATOM 685 CB APHE A 25 -7.555 7.596 -0.995 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.260 8.068 -0.678 0.80 0.00 C ATOM 687 CG APHE A 25 -7.839 9.070 -0.954 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.589 9.514 -0.437 0.80 0.00 C ATOM 689 CD1APHE A 25 -9.016 9.576 -1.480 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.415 10.205 -1.310 0.80 0.00 C ATOM 691 CD2APHE A 25 -6.931 9.950 -0.389 0.20 0.00 C ATOM 692 CD2BPHE A 25 -7.072 10.183 0.662 0.80 0.00 C ATOM 693 CE1APHE A 25 -9.282 10.933 -1.443 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.720 11.534 -1.091 0.80 0.00 C ATOM 695 CE2APHE A 25 -7.190 11.306 -0.348 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.373 11.513 0.884 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.367 11.798 -0.878 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.197 12.191 0.007 0.80 0.00 C ATOM 0 H APHE A 25 -8.677 4.977 -0.569 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.210 5.488 -0.849 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.527 7.115 1.098 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.256 7.267 1.319 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.477 7.443 -1.055 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.177 7.952 -0.724 0.80 0.00 H new ATOM 0 HB3APHE A 25 -7.987 7.176 -1.903 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.654 7.771 -1.650 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.735 8.903 -1.924 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -8.825 9.698 -2.171 0.80 0.00 H new ATOM 0 HD2APHE A 25 -6.008 9.571 0.025 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -6.427 9.659 1.352 0.80 0.00 H new ATOM 0 HE1APHE A 25 -10.204 11.315 -1.856 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.367 12.060 -1.777 0.80 0.00 H new ATOM 0 HE2APHE A 25 -6.474 11.980 0.098 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -6.964 12.023 1.744 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.571 12.858 -0.850 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.432 13.231 0.179 0.80 0.00 H new ATOM 717 N AASN A 26 -9.862 7.685 1.648 0.20 0.00 N ATOM 718 N BASN A 26 -9.511 8.362 1.617 0.80 0.00 N ATOM 719 CA AASN A 26 -11.222 8.076 1.999 0.20 0.00 C ATOM 720 CA BASN A 26 -10.865 8.769 1.976 0.80 0.00 C ATOM 721 C AASN A 26 -11.478 9.536 1.639 0.20 0.00 C ATOM 722 C BASN A 26 -11.186 10.149 1.415 0.80 0.00 C ATOM 723 O AASN A 26 -10.761 10.432 2.088 0.20 0.00 O ATOM 724 O BASN A 26 -10.435 11.104 1.618 0.80 0.00 O ATOM 725 CB AASN A 26 -11.471 7.854 3.491 0.20 0.00 C ATOM 726 CB BASN A 26 -11.033 8.772 3.497 0.80 0.00 C ATOM 727 CG AASN A 26 -12.946 7.858 3.840 0.20 0.00 C ATOM 728 CG BASN A 26 -12.491 8.774 3.917 0.80 0.00 C ATOM 729 OD1AASN A 26 -13.717 8.661 3.314 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.323 9.442 3.303 0.80 0.00 O ATOM 731 ND2AASN A 26 -13.346 6.956 4.728 0.20 0.00 N ATOM 732 ND2BASN A 26 -12.804 8.029 4.970 0.80 0.00 N ATOM 0 H AASN A 26 -9.181 7.813 2.396 0.20 0.00 H new ATOM 0 H BASN A 26 -8.776 8.824 2.152 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.911 7.454 1.428 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.560 8.050 1.542 0.80 0.00 H new ATOM 0 HB2AASN A 26 -11.032 6.903 3.792 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.538 7.896 3.916 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.964 8.633 4.061 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.536 9.649 3.913 0.80 0.00 H new ATOM 0 HD21AASN A 26 -14.328 6.909 5.000 0.20 0.00 H new ATOM 0 HD21BASN A 26 -13.768 7.994 5.301 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.671 6.310 5.138 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.081 7.492 5.448 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.505 9.771 0.829 0.20 0.00 N ATOM 746 N BHIS A 27 -12.306 10.250 0.706 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.857 11.123 0.411 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.729 11.516 0.116 0.80 0.00 C ATOM 749 C AHIS A 27 -13.679 11.826 1.485 0.20 0.00 C ATOM 750 C BHIS A 27 -13.646 12.278 1.067 0.80 0.00 C ATOM 751 O AHIS A 27 -13.603 13.045 1.639 0.20 0.00 O ATOM 752 O BHIS A 27 -14.464 13.093 0.633 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.638 11.085 -0.904 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.441 11.270 -1.213 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.817 10.163 -0.874 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.717 10.498 -1.076 0.80 0.00 C ATOM 757 ND1AHIS A 27 -16.074 10.562 -0.472 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.937 10.879 -0.628 0.80 0.00 N flip ATOM 759 CD2AHIS A 27 -14.926 8.854 -1.202 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.834 9.168 -1.419 0.80 0.00 C flip ATOM 761 CE1AHIS A 27 -16.906 9.538 -0.551 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.760 9.782 -0.709 0.80 0.00 C flip ATOM 763 NE2AHIS A 27 -16.233 8.488 -0.992 0.20 0.00 N ATOM 764 NE2BHIS A 27 -16.071 8.764 -1.188 0.80 0.00 N flip ATOM 0 H AHIS A 27 -13.109 9.042 0.449 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.938 9.470 0.526 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.934 11.683 0.261 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.840 12.121 -0.064 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.981 12.092 -1.143 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.655 12.229 -1.684 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.967 10.778 -1.707 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.770 10.730 -1.881 0.80 0.00 H new ATOM 0 HD1BHIS A 27 -16.196 11.807 -0.293 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.132 8.216 -1.562 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -14.039 8.553 -1.814 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -17.956 9.556 -0.299 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.802 9.757 -0.426 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.621 7.558 -1.150 0.20 0.00 H new ATOM 779 N AILE A 28 -14.467 11.052 2.224 0.20 0.00 N ATOM 780 N BILE A 28 -13.507 12.009 2.360 0.80 0.00 N ATOM 781 CA AILE A 28 -15.303 11.602 3.284 0.20 0.00 C ATOM 782 CA BILE A 28 -14.325 12.671 3.370 0.80 0.00 C ATOM 783 C AILE A 28 -14.453 12.128 4.436 0.20 0.00 C ATOM 784 C BILE A 28 -13.457 13.285 4.463 0.80 0.00 C ATOM 785 O AILE A 28 -14.721 13.200 4.980 0.20 0.00 O ATOM 786 O BILE A 28 -13.686 14.416 4.893 0.80 0.00 O ATOM 787 CB AILE A 28 -16.288 10.551 3.826 0.20 0.00 C ATOM 788 CB BILE A 28 -15.327 11.694 4.011 0.80 0.00 C ATOM 789 CG1AILE A 28 -17.515 10.455 2.916 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.185 11.028 2.934 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.702 10.895 5.248 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.202 12.421 5.021 0.80 0.00 C ATOM 793 CD1AILE A 28 -18.430 11.656 3.007 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.311 10.187 3.493 0.80 0.00 C ATOM 0 H AILE A 28 -14.544 10.042 2.108 0.20 0.00 H new ATOM 0 H BILE A 28 -12.836 11.338 2.734 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.868 12.425 2.846 0.20 0.00 H new ATOM 0 HA BILE A 28 -14.877 13.462 2.862 0.80 0.00 H new ATOM 0 HB AILE A 28 -15.791 9.581 3.839 0.20 0.00 H new ATOM 0 HB BILE A 28 -14.770 10.917 4.535 0.80 0.00 H new ATOM 0 HG12AILE A 28 -17.184 10.338 1.884 0.20 0.00 H new ATOM 0 HG12BILE A 28 -16.604 11.799 2.287 0.80 0.00 H new ATOM 0 HG13AILE A 28 -18.079 9.558 3.173 0.20 0.00 H new ATOM 0 HG13BILE A 28 -15.548 10.400 2.311 0.80 0.00 H new ATOM 0 HG21AILE A 28 -17.399 10.142 5.616 0.20 0.00 H new ATOM 0 HG21BILE A 28 -16.906 11.717 5.466 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.820 10.918 5.888 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.575 12.851 5.802 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.184 11.872 5.260 0.20 0.00 H new ATOM 0 HG23BILE A 28 -16.753 13.216 4.519 0.80 0.00 H new ATOM 0 HD11AILE A 28 -19.278 11.519 2.336 0.20 0.00 H new ATOM 0 HD11BILE A 28 -17.877 9.746 2.673 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.791 11.762 4.030 0.20 0.00 H new ATOM 0 HD12BILE A 28 -16.898 9.394 4.117 0.80 0.00 H new ATOM 0 HD13AILE A 28 -17.882 12.554 2.721 0.20 0.00 H new ATOM 0 HD13BILE A 28 -17.970 10.814 4.093 0.80 0.00 H new ATOM 817 N ATHR A 29 -13.426 11.368 4.802 0.20 0.00 N ATOM 818 N BTHR A 29 -12.457 12.530 4.910 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.538 11.757 5.891 0.20 0.00 C ATOM 820 CA BTHR A 29 -11.553 12.999 5.954 0.80 0.00 C ATOM 821 C ATHR A 29 -11.276 12.428 5.356 0.20 0.00 C ATOM 822 C BTHR A 29 -10.173 13.306 5.388 0.80 0.00 C ATOM 823 O ATHR A 29 -10.583 13.136 6.084 0.20 0.00 O ATOM 824 O BTHR A 29 -9.232 13.570 6.134 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.136 10.543 6.749 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.415 11.961 7.083 0.80 0.00 C ATOM 827 OG1ATHR A 29 -13.218 9.610 6.815 0.20 0.00 O ATOM 828 OG1BTHR A 29 -10.894 10.736 6.560 0.80 0.00 O ATOM 829 CG2ATHR A 29 -11.748 10.980 8.155 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.758 11.705 7.751 0.80 0.00 C ATOM 0 H ATHR A 29 -13.188 10.480 4.361 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.253 11.592 4.565 0.80 0.00 H new ATOM 0 HA ATHR A 29 -13.088 12.464 6.512 0.20 0.00 H new ATOM 0 HA BTHR A 29 -11.986 13.913 6.362 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.274 10.065 6.283 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.727 12.358 7.830 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -12.953 8.840 7.361 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -10.808 10.082 7.284 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -11.468 10.106 8.743 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.635 10.968 8.545 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -10.904 11.668 8.102 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -13.137 12.635 8.174 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -12.594 11.479 8.627 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.466 11.328 7.013 0.80 0.00 H new ATOM 845 N AASN A 30 -10.986 12.199 4.078 0.20 0.00 N ATOM 846 N BASN A 30 -10.059 13.271 4.065 0.80 0.00 N ATOM 847 CA AASN A 30 -9.809 12.782 3.448 0.20 0.00 C ATOM 848 CA BASN A 30 -8.791 13.547 3.399 0.80 0.00 C ATOM 849 C AASN A 30 -8.529 12.165 4.007 0.20 0.00 C ATOM 850 C BASN A 30 -7.644 12.814 4.088 0.80 0.00 C ATOM 851 O AASN A 30 -7.547 12.863 4.252 0.20 0.00 O ATOM 852 O BASN A 30 -6.756 13.437 4.668 0.80 0.00 O ATOM 853 CB AASN A 30 -9.788 14.297 3.655 0.20 0.00 C ATOM 854 CB BASN A 30 -8.515 15.051 3.383 0.80 0.00 C ATOM 855 CG AASN A 30 -9.188 15.035 2.475 0.20 0.00 C ATOM 856 CG BASN A 30 -7.518 15.446 2.312 0.80 0.00 C ATOM 857 OD1AASN A 30 -9.798 15.956 1.929 0.20 0.00 O ATOM 858 OD1BASN A 30 -7.866 16.114 1.338 0.80 0.00 O ATOM 859 ND2AASN A 30 -7.987 14.635 2.074 0.20 0.00 N ATOM 860 ND2BASN A 30 -6.268 15.031 2.486 0.80 0.00 N ATOM 0 H AASN A 30 -11.550 11.615 3.461 0.20 0.00 H new ATOM 0 H BASN A 30 -10.829 13.054 3.432 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.859 12.569 2.380 0.20 0.00 H new ATOM 0 HA BASN A 30 -8.863 13.188 2.372 0.80 0.00 H new ATOM 0 HB2AASN A 30 -10.805 14.652 3.823 0.20 0.00 H new ATOM 0 HB2BASN A 30 -9.450 15.587 3.220 0.80 0.00 H new ATOM 0 HB3AASN A 30 -9.217 14.530 4.554 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.137 15.358 4.358 0.80 0.00 H new ATOM 0 HD21AASN A 30 -7.534 15.095 1.285 0.20 0.00 H new ATOM 0 HD21BASN A 30 -5.553 15.264 1.797 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.518 13.868 2.555 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.024 14.479 3.308 0.80 0.00 H new ATOM 873 N AALA A 31 -8.552 10.850 4.204 0.20 0.00 N ATOM 874 N BALA A 31 -7.672 11.487 4.022 0.80 0.00 N ATOM 875 CA AALA A 31 -7.394 10.138 4.732 0.20 0.00 C ATOM 876 CA BALA A 31 -6.633 10.670 4.637 0.80 0.00 C ATOM 877 C AALA A 31 -6.722 9.304 3.647 0.20 0.00 C ATOM 878 C BALA A 31 -6.521 9.314 3.947 0.80 0.00 C ATOM 879 O AALA A 31 -7.197 9.244 2.514 0.20 0.00 O ATOM 880 O BALA A 31 -7.508 8.783 3.438 0.80 0.00 O ATOM 881 CB AALA A 31 -7.806 9.255 5.901 0.20 0.00 C ATOM 882 CB BALA A 31 -6.915 10.487 6.120 0.80 0.00 C ATOM 0 H AALA A 31 -9.358 10.257 4.006 0.20 0.00 H new ATOM 0 H BALA A 31 -8.403 10.955 3.549 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.673 10.876 5.085 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.681 11.188 4.520 0.80 0.00 H new ATOM 0 HB1AALA A 31 -6.932 8.729 6.286 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.131 9.875 6.567 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.234 9.873 6.690 0.20 0.00 H new ATOM 0 HB2BALA A 31 -6.938 11.461 6.609 0.80 0.00 H new ATOM 0 HB3AALA A 31 -8.547 8.530 5.566 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.878 9.994 6.249 0.80 0.00 H new ATOM 893 N ASER A 32 -5.613 8.662 4.003 0.20 0.00 N ATOM 894 N BSER A 32 -5.313 8.761 3.935 0.80 0.00 N ATOM 895 CA ASER A 32 -4.874 7.835 3.057 0.20 0.00 C ATOM 896 CA BSER A 32 -5.070 7.468 3.302 0.80 0.00 C ATOM 897 C ASER A 32 -3.975 6.844 3.790 0.20 0.00 C ATOM 898 C BSER A 32 -4.574 6.450 4.323 0.80 0.00 C ATOM 899 O ASER A 32 -2.774 7.068 3.935 0.20 0.00 O ATOM 900 O BSER A 32 -4.051 6.815 5.375 0.80 0.00 O ATOM 901 CB ASER A 32 -4.030 8.713 2.128 0.20 0.00 C ATOM 902 CB BSER A 32 -4.051 7.613 2.171 0.80 0.00 C ATOM 903 OG ASER A 32 -4.676 9.948 1.871 0.20 0.00 O ATOM 904 OG BSER A 32 -3.949 6.416 1.422 0.80 0.00 O ATOM 0 H ASER A 32 -5.208 8.699 4.938 0.20 0.00 H new ATOM 0 H BSER A 32 -4.487 9.187 4.356 0.80 0.00 H new ATOM 0 HA ASER A 32 -5.595 7.276 2.461 0.20 0.00 H new ATOM 0 HA BSER A 32 -6.012 7.111 2.887 0.80 0.00 H new ATOM 0 HB2ASER A 32 -3.055 8.896 2.581 0.20 0.00 H new ATOM 0 HB2BSER A 32 -4.345 8.432 1.515 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.852 8.189 1.189 0.20 0.00 H new ATOM 0 HB3BSER A 32 -3.076 7.871 2.586 0.80 0.00 H new ATOM 0 HG ASER A 32 -5.640 9.800 1.778 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.826 5.980 1.381 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.568 5.746 4.250 0.20 0.00 N ATOM 916 N BGLN A 33 -4.742 5.171 4.003 0.80 0.00 N ATOM 917 CA AGLN A 33 -3.823 4.721 4.969 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.312 4.098 4.892 0.80 0.00 C ATOM 919 C AGLN A 33 -3.611 3.488 4.095 0.20 0.00 C ATOM 920 C BGLN A 33 -3.976 2.838 4.103 0.80 0.00 C ATOM 921 O AGLN A 33 -4.339 3.269 3.126 0.20 0.00 O ATOM 922 O BGLN A 33 -4.727 2.431 3.216 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.559 4.330 6.251 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.401 3.793 5.923 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.957 3.785 6.008 0.20 0.00 C ATOM 926 CG BGLN A 33 -4.947 2.852 7.027 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.687 3.455 7.296 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.005 2.653 8.095 0.80 0.00 C ATOM 929 OE1AGLN A 33 -6.792 4.290 8.196 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.010 3.342 9.116 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.197 2.231 7.391 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.909 1.708 7.865 0.80 0.00 N ATOM 0 H AGLN A 33 -5.562 5.545 4.137 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.173 4.853 3.135 0.80 0.00 H new ATOM 0 HA AGLN A 33 -2.848 5.132 5.229 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.413 4.430 5.411 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -3.973 3.580 6.782 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.739 4.728 6.370 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.626 5.202 6.902 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.259 3.355 5.414 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.535 4.517 5.444 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.688 1.886 6.593 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -5.891 2.888 5.392 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.041 3.248 7.487 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -7.086 1.571 6.621 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.867 1.161 7.005 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -7.699 1.952 8.234 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.645 1.529 8.548 0.80 0.00 H new ATOM 949 N APHE A 34 -2.610 2.686 4.444 0.20 0.00 N ATOM 950 N BPHE A 34 -2.844 2.224 4.430 0.80 0.00 N ATOM 951 CA APHE A 34 -2.302 1.476 3.690 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.408 1.010 3.749 0.80 0.00 C ATOM 953 C APHE A 34 -3.139 0.301 4.185 0.20 0.00 C ATOM 954 C BPHE A 34 -3.147 -0.211 4.290 0.80 0.00 C ATOM 955 O APHE A 34 -3.434 -0.624 3.428 0.20 0.00 O ATOM 956 O BPHE A 34 -3.426 -1.156 3.553 0.80 0.00 O ATOM 957 CB APHE A 34 -0.813 1.142 3.808 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.899 0.821 3.916 0.80 0.00 C ATOM 959 CG APHE A 34 0.085 2.332 3.618 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.085 1.907 3.270 0.80 0.00 C ATOM 961 CD1APHE A 34 0.668 2.957 4.708 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.765 2.697 4.027 0.80 0.00 C ATOM 963 CD2APHE A 34 0.345 2.824 2.349 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.171 2.137 1.907 0.80 0.00 C ATOM 965 CE1APHE A 34 1.496 4.051 4.536 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.517 3.696 3.438 0.80 0.00 C ATOM 967 CE2APHE A 34 1.170 3.918 2.171 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.577 3.135 1.311 0.80 0.00 C ATOM 969 CZ APHE A 34 1.746 4.533 3.266 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.421 3.916 2.077 0.80 0.00 C ATOM 0 H APHE A 34 -1.999 2.852 5.244 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.212 2.547 5.162 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.545 1.657 2.643 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.640 1.114 2.689 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.623 0.706 4.789 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.661 0.782 4.979 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.559 0.383 3.068 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.612 -0.140 3.490 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.474 2.586 5.703 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.841 2.530 5.091 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.102 2.347 1.489 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.830 1.530 1.303 0.80 0.00 H new ATOM 0 HE1APHE A 34 1.947 4.528 5.394 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.178 4.303 4.040 0.80 0.00 H new ATOM 0 HE2APHE A 34 1.364 4.292 1.177 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.502 3.304 0.247 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.390 5.389 3.129 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.005 4.697 1.613 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.516 0.342 5.458 0.20 0.00 N ATOM 990 N BGLU A 35 -3.459 -0.183 5.581 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.317 -0.719 6.054 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.164 -1.288 6.220 0.80 0.00 C ATOM 993 C AGLU A 35 -5.750 -0.680 5.528 0.20 0.00 C ATOM 994 C BGLU A 35 -5.646 -1.270 5.859 0.80 0.00 C ATOM 995 O AGLU A 35 -6.330 0.393 5.362 0.20 0.00 O ATOM 996 O BGLU A 35 -6.302 -0.231 5.934 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.317 -0.597 7.577 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.998 -1.218 7.739 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.432 -1.931 8.297 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.561 -1.002 8.186 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.793 -1.911 9.671 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.238 -1.720 9.481 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -2.647 -2.391 9.799 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -1.037 -1.856 9.799 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -4.437 -1.414 10.619 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -3.184 -2.146 10.175 0.80 0.00 O ATOM 0 H AGLU A 35 -3.279 1.100 6.098 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.235 0.592 6.205 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.872 -1.674 5.775 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.730 -2.220 5.856 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.399 -0.102 7.893 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.616 -0.408 8.126 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.145 0.043 7.881 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.372 -2.142 8.180 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.485 -2.197 8.394 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.885 -1.349 7.404 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -3.961 -2.707 7.693 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.380 0.066 8.312 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.313 -1.855 5.270 0.20 0.00 N ATOM 1020 N BARG A 36 -6.167 -2.428 5.466 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.676 -1.956 4.762 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.571 -2.546 5.090 0.80 0.00 C ATOM 1023 C AARG A 36 -8.678 -1.443 5.791 0.20 0.00 C ATOM 1024 C BARG A 36 -8.477 -2.024 6.200 0.80 0.00 C ATOM 1025 O AARG A 36 -8.597 -1.752 6.981 0.20 0.00 O ATOM 1026 O BARG A 36 -8.600 -2.623 7.269 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.001 -3.404 4.395 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.917 -4.004 4.778 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.405 -3.592 3.843 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.362 -4.209 4.353 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.730 -5.063 3.639 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.816 -5.640 4.595 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.964 -5.452 4.318 0.20 0.00 N ATOM 1034 NE BARG A 36 -10.539 -6.184 3.450 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.646 -6.555 4.030 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.348 -7.236 3.524 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.216 -7.373 3.080 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.534 -7.853 4.683 0.80 0.00 N ATOM 1039 NH2AARG A 36 -12.758 -6.840 4.693 0.20 0.00 N ATOM 1040 NH2BARG A 36 -11.971 -7.674 2.438 0.80 0.00 N ATOM 0 H AARG A 36 -5.846 -2.752 5.404 0.20 0.00 H new ATOM 0 H BARG A 36 -5.638 -3.298 5.400 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.750 -1.337 3.868 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.734 -1.942 4.198 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.280 -3.753 3.656 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.260 -4.363 3.986 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.881 -4.030 5.279 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.716 -4.613 5.660 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.129 -3.150 4.528 0.20 0.00 H new ATOM 0 HG2BARG A 36 -10.005 -3.524 4.905 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.498 -3.063 2.895 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.470 -3.966 3.296 0.80 0.00 H new ATOM 0 HD2AARG A 36 -9.823 -5.269 2.573 0.20 0.00 H new ATOM 0 HD2BARG A 36 -8.948 -6.265 4.806 0.80 0.00 H new ATOM 0 HD3AARG A 36 -8.905 -5.671 4.010 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.455 -5.673 5.477 0.80 0.00 H new ATOM 0 HE AARG A 36 -11.322 -4.843 5.054 0.20 0.00 H new ATOM 0 HE BARG A 36 -10.417 -5.732 2.544 0.80 0.00 H new ATOM 0 HH11AARG A 36 -10.360 -7.156 2.569 0.20 0.00 H new ATOM 0 HH11BARG A 36 -11.056 -7.520 5.520 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.741 -8.220 2.860 0.20 0.00 H new ATOM 0 HH12BARG A 36 -12.155 -8.660 4.737 0.80 0.00 H new ATOM 0 HH21AARG A 36 -13.091 -6.212 5.425 0.20 0.00 H new ATOM 0 HH21BARG A 36 -11.830 -7.203 1.544 0.80 0.00 H new ATOM 0 HH22AARG A 36 -13.281 -7.687 4.471 0.20 0.00 H new ATOM 0 HH22BARG A 36 -12.591 -8.481 2.497 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.646 -0.640 5.328 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.126 -0.877 5.946 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.682 -0.067 6.192 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.031 -0.250 6.912 0.80 0.00 C ATOM 1071 C APRO A 37 -11.663 -1.120 6.696 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.315 -1.048 7.108 0.80 0.00 C ATOM 1073 O APRO A 37 -12.093 -1.993 5.942 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.626 -1.945 6.323 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.394 0.932 5.277 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.338 1.111 6.278 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.163 0.418 3.898 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.133 0.902 4.817 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.804 -0.228 3.923 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.027 -0.109 4.694 0.80 0.00 C ATOM 0 HA APRO A 37 -10.261 0.383 7.091 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.585 -0.183 7.904 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.458 0.988 5.505 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.359 1.427 6.494 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.989 1.937 5.397 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.676 1.886 6.664 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.932 -0.300 3.615 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.046 0.541 4.343 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.198 1.227 3.168 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.865 1.836 4.323 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.752 -1.081 3.246 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.161 -0.746 3.820 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.023 0.468 3.618 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.053 0.371 4.593 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.013 -1.033 7.975 0.20 0.00 N ATOM 1096 N BSER A 38 -12.061 -0.714 8.156 0.80 0.00 N ATOM 1097 CA ASER A 38 -12.941 -1.980 8.581 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.310 -1.402 8.457 0.80 0.00 C ATOM 1099 C ASER A 38 -14.353 -1.779 8.040 0.20 0.00 C ATOM 1100 C BSER A 38 -14.423 -0.403 8.755 0.80 0.00 C ATOM 1101 O ASER A 38 -14.952 -2.697 7.481 0.20 0.00 O ATOM 1102 O BSER A 38 -14.178 0.794 8.893 0.80 0.00 O ATOM 1103 CB ASER A 38 -12.939 -1.825 10.104 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.124 -2.347 9.647 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.124 -0.472 10.479 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.322 -3.047 9.933 0.80 0.00 O ATOM 0 H ASER A 38 -11.667 -0.315 8.612 0.20 0.00 H new ATOM 0 H BSER A 38 -11.821 0.030 8.811 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.613 -2.987 8.325 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.594 -1.985 7.581 0.80 0.00 H new ATOM 0 HB2ASER A 38 -13.731 -2.437 10.536 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.327 -3.058 9.430 0.80 0.00 H new ATOM 0 HB3ASER A 38 -11.996 -2.192 10.509 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.814 -1.777 10.523 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.121 -0.400 11.456 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.177 -3.645 10.696 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.879 -0.570 8.210 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.652 -0.905 8.852 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.217 -0.269 7.734 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.784 -0.044 9.132 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.284 -0.596 8.758 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.108 -0.777 9.039 0.80 0.00 C ATOM 1123 O AGLY A 39 -16.975 -0.982 9.886 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.279 -1.792 9.713 0.80 0.00 O ATOM 0 H AGLY A 39 -14.403 0.207 8.669 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.882 -1.893 8.741 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.278 0.788 7.475 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.676 0.379 10.131 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.410 -0.832 6.821 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.784 0.790 8.430 0.80 0.00 H new