USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=18 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= 0.53 K(o=-1.7,f=-11!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -0.126 K(o=-1.7,f=-12!) USER MOD Set 1.3: A 27 HIS A:FLIP no HD1:sc= -0.329 F(o=-2.9,f=-1.7) USER MOD Set 1.4: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.5: A 29 THR OG1B: rot 180:sc= -1.73 USER MOD Set 2.1: A 13 LYS NZ B:NH3+ -176:sc= -0.916 (180deg=-1.04) USER MOD Set 2.2: A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl -124:sc= -0.004 (180deg=-1.16) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A:FLIP amide:sc= -0.115 F(o=-0.78,f=-0.12) USER MOD Single : A 18 ASN B: amide:sc= -0.178 K(o=-0.18,f=-2.2!) USER MOD Single : A 19 SER OG A: rot 59:sc= 0.133 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.0892 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 27 HIS B: no HD1:sc= -2.17 K(o=-2.2,f=-2.7) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.608 K(o=0.61,f=-0.043) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.091 USER MOD Single : A 32 SER OG B: rot 12:sc= 0.228 USER MOD Single : A 33 GLN A: amide:sc= -1.29 K(o=-1.3,f=-4.3!) USER MOD Single : A 33 GLN B: amide:sc= -0.438 K(o=-0.44,f=-3!) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.0182 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.0782 USER MOD ----------------------------------------------------------------- ATOM 67 N ALEU A 7 -14.750 -2.582 0.190 0.20 0.00 N ATOM 68 N BLEU A 7 -15.352 -3.023 -0.875 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.646 -1.444 1.098 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.784 -1.923 -0.105 0.80 0.00 C ATOM 71 C ALEU A 7 -16.006 -0.785 1.302 0.20 0.00 C ATOM 72 C BLEU A 7 -15.883 -1.031 0.465 0.80 0.00 C ATOM 73 O ALEU A 7 -16.885 -0.841 0.442 0.20 0.00 O ATOM 74 O BLEU A 7 -16.959 -0.884 -0.114 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.648 -0.421 0.552 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.843 -1.093 -0.980 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.334 -0.986 0.012 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.346 -1.280 -0.722 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.074 -0.476 -1.397 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.967 -2.749 -0.822 0.80 0.00 C ATOM 81 CD2ALEU A 7 -11.177 -0.628 0.934 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.528 -0.448 -1.699 0.80 0.00 C ATOM 0 HA ALEU A 7 -14.292 -1.810 2.062 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.219 -2.348 0.725 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.134 0.140 -0.246 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -14.044 -1.333 -2.024 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.416 0.289 1.346 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -14.086 -0.039 -0.842 0.80 0.00 H new ATOM 0 HG ALEU A 7 -12.417 -2.072 -0.026 0.20 0.00 H new ATOM 0 HG BLEU A 7 -12.125 -0.937 0.289 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.135 -0.888 -1.766 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.899 -2.863 -0.636 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.888 -0.786 -2.052 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.527 -3.321 -0.082 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -12.013 0.612 -1.385 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.203 -3.118 -1.820 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -10.251 -1.039 0.532 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.466 -0.593 -1.501 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.091 0.456 1.006 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.753 -0.760 -2.719 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -11.359 -1.044 1.925 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.779 0.606 -1.578 0.80 0.00 H new ATOM 105 N APRO A 8 -16.184 -0.145 2.467 0.20 0.00 N ATOM 106 N BPRO A 8 -15.607 -0.419 1.626 0.80 0.00 N ATOM 107 CA APRO A 8 -17.435 0.539 2.811 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.559 0.471 2.298 0.80 0.00 C ATOM 109 C APRO A 8 -17.658 1.794 1.973 0.20 0.00 C ATOM 110 C BPRO A 8 -16.760 1.780 1.544 0.80 0.00 C ATOM 111 O APRO A 8 -16.804 2.205 1.186 0.20 0.00 O ATOM 112 O BPRO A 8 -15.944 2.177 0.710 0.80 0.00 O ATOM 113 CB APRO A 8 -17.245 0.906 4.285 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.903 0.731 3.657 0.80 0.00 C ATOM 115 CG APRO A 8 -15.769 0.986 4.467 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.446 0.527 3.419 0.80 0.00 C ATOM 117 CD APRO A 8 -15.180 -0.039 3.537 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.344 -0.548 2.373 0.80 0.00 C ATOM 0 HA APRO A 8 -18.307 -0.087 2.623 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.553 0.028 2.367 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.725 1.855 4.522 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.109 1.742 4.009 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.685 0.154 4.940 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.280 0.046 4.416 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.400 1.984 4.231 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.973 1.448 3.079 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.492 0.780 5.501 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.939 0.228 4.336 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.212 0.279 3.150 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.478 -0.399 1.727 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.025 -0.994 4.038 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.241 -1.536 2.821 0.80 0.00 H new ATOM 133 N APRO A 9 -18.832 2.419 2.145 0.20 0.00 N ATOM 134 N BPRO A 9 -17.872 2.471 1.839 0.80 0.00 N ATOM 135 CA APRO A 9 -19.193 3.638 1.415 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.204 3.747 1.202 0.80 0.00 C ATOM 137 C APRO A 9 -18.374 4.846 1.858 0.20 0.00 C ATOM 138 C BPRO A 9 -17.272 4.873 1.634 0.80 0.00 C ATOM 139 O APRO A 9 -18.792 5.609 2.727 0.20 0.00 O ATOM 140 O BPRO A 9 -16.832 4.921 2.782 0.80 0.00 O ATOM 141 CB APRO A 9 -20.669 3.838 1.767 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.632 4.021 1.679 0.80 0.00 C ATOM 143 CG APRO A 9 -20.841 3.157 3.080 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.748 3.282 2.968 0.80 0.00 C ATOM 145 CD APRO A 9 -19.896 1.987 3.067 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.888 2.059 2.823 0.80 0.00 C ATOM 0 HA APRO A 9 -19.003 3.542 0.346 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.104 3.698 0.118 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.920 4.897 1.834 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.806 5.088 1.817 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.319 3.404 1.008 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.366 3.670 0.954 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.613 3.834 3.903 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.413 3.898 3.802 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.870 2.826 3.216 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.784 3.009 3.169 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.504 1.776 4.062 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.435 1.771 3.772 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.386 1.078 2.718 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.463 1.202 2.472 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.200 5.012 1.254 0.20 0.00 N ATOM 162 N BGLY A 10 -16.974 5.777 0.707 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.340 6.129 1.599 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.097 6.892 1.013 0.80 0.00 C ATOM 165 C AGLY A 10 -14.896 5.895 1.196 0.20 0.00 C ATOM 166 C BGLY A 10 -14.650 6.604 0.663 0.80 0.00 C ATOM 167 O AGLY A 10 -14.120 6.843 1.067 0.20 0.00 O ATOM 168 O BGLY A 10 -13.904 7.507 0.282 0.80 0.00 O ATOM 0 H AGLY A 10 -16.830 4.393 0.533 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.324 5.758 -0.251 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.708 7.032 1.111 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.431 7.774 0.467 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.390 6.304 2.674 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.171 7.128 2.075 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.537 4.632 0.997 0.20 0.00 N ATOM 176 N BTRP A 11 -14.253 5.344 0.791 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.177 4.278 0.608 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.884 4.939 0.487 0.80 0.00 C ATOM 179 C ATRP A 11 -13.120 3.869 -0.861 0.20 0.00 C ATOM 180 C BTRP A 11 -12.724 4.635 -0.998 0.80 0.00 C ATOM 181 O ATRP A 11 -13.941 3.077 -1.324 0.20 0.00 O ATOM 182 O BTRP A 11 -13.638 4.113 -1.635 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.652 3.143 1.487 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.497 3.712 1.315 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.186 3.602 2.836 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.525 3.960 2.792 0.80 0.00 C ATOM 187 CD1ATRP A 11 -12.892 3.563 4.004 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.615 3.898 3.615 0.80 0.00 C ATOM 189 CD2ATRP A 11 -10.911 4.171 3.153 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.413 4.313 3.624 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.133 4.075 5.029 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.247 4.190 4.906 0.80 0.00 N ATOM 193 CE2ATRP A 11 -10.914 4.454 4.533 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.902 4.446 4.938 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.768 4.468 2.407 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.054 4.526 3.386 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -9.817 5.019 5.178 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.078 4.786 6.007 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.679 5.029 3.050 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.236 4.863 4.449 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.710 5.299 4.423 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.750 4.989 5.746 0.80 0.00 C ATOM 0 H ATRP A 11 -15.168 3.837 1.098 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.858 4.585 1.103 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.546 5.156 0.746 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.222 5.766 0.744 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.439 2.400 1.616 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.177 2.894 1.078 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.827 2.648 0.975 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.497 3.389 1.027 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -13.899 3.185 4.107 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.618 3.655 3.297 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.429 4.159 6.001 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.874 4.212 5.710 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.735 4.263 1.347 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.649 4.429 2.390 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -9.839 5.229 6.237 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.473 4.886 7.007 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.790 5.263 2.483 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.183 5.032 4.276 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -7.843 5.737 4.896 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.085 5.251 6.556 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.147 4.412 -1.585 0.20 0.00 N ATOM 224 N BGLU A 12 -11.559 4.968 -1.544 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.985 4.103 -3.000 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.281 4.730 -2.955 0.80 0.00 C ATOM 227 C AGLU A 12 -10.607 3.507 -3.273 0.20 0.00 C ATOM 228 C BGLU A 12 -9.934 4.034 -3.135 0.80 0.00 C ATOM 229 O AGLU A 12 -9.672 3.695 -2.494 0.20 0.00 O ATOM 230 O BGLU A 12 -8.971 4.327 -2.428 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.187 5.361 -3.847 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.293 6.049 -3.729 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.892 6.079 -4.187 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.096 5.991 -5.019 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.311 5.637 -5.516 0.20 0.00 C ATOM 236 CD BGLU A 12 -11.921 4.679 -5.757 0.80 0.00 C ATOM 237 OE1AGLU A 12 -9.220 6.127 -5.880 0.20 0.00 O ATOM 238 OE1BGLU A 12 -12.857 3.855 -5.733 0.80 0.00 O ATOM 239 OE2AGLU A 12 -10.946 4.802 -6.193 0.20 0.00 O ATOM 240 OE2BGLU A 12 -10.844 4.479 -6.359 0.80 0.00 O ATOM 0 H AGLU A 12 -11.459 5.068 -1.215 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.793 5.403 -1.031 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.740 3.366 -3.273 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.062 4.079 -3.348 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.695 5.089 -4.772 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -11.703 6.831 -3.091 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.844 6.047 -3.313 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.267 6.333 -3.962 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.073 7.154 -4.213 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.152 6.138 -4.792 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.163 5.898 -3.398 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -11.793 6.812 -5.669 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.488 2.789 -4.384 0.20 0.00 N ATOM 254 N BLYS A 13 -9.876 3.109 -4.088 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.224 2.166 -4.763 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.648 2.372 -4.363 0.80 0.00 C ATOM 257 C ALYS A 13 -8.326 3.161 -5.491 0.20 0.00 C ATOM 258 C BLYS A 13 -7.781 3.115 -5.373 0.80 0.00 C ATOM 259 O ALYS A 13 -8.669 3.648 -6.568 0.20 0.00 O ATOM 260 O BLYS A 13 -8.194 3.345 -6.509 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.479 0.948 -5.653 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.978 0.972 -4.891 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.399 -0.116 -5.549 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.753 0.165 -5.281 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.808 -1.395 -6.262 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.134 -1.102 -6.028 0.80 0.00 C ATOM 267 CE ALYS A 13 -8.321 -2.628 -5.514 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.419 -2.249 -5.070 0.80 0.00 C ATOM 269 NZ ALYS A 13 -7.306 -3.386 -6.296 0.20 0.00 N ATOM 270 NZ BLYS A 13 -7.195 -2.674 -4.333 0.80 0.00 N ATOM 0 H ALYS A 13 -11.252 2.623 -5.039 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.664 2.852 -4.682 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.718 1.844 -3.853 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.091 2.282 -3.430 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.439 0.507 -5.385 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.534 0.427 -4.128 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.557 1.275 -6.690 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.633 1.065 -5.758 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.472 0.262 -5.980 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.099 0.774 -5.905 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -8.198 -0.331 -4.499 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.188 -0.095 -4.386 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.893 -1.430 -6.356 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -9.014 -0.913 -6.643 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.400 -1.396 -7.273 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.327 -1.383 -6.705 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -7.892 -2.327 -4.558 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -9.185 -1.945 -4.357 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -9.168 -3.277 -5.293 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.820 -3.096 -5.627 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -7.000 -4.218 -5.753 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.415 -3.501 -3.741 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -7.722 -3.695 -7.197 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.449 -2.924 -5.013 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -6.486 -2.775 -6.485 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.865 -1.894 -3.729 0.80 0.00 H new ATOM 297 N AARG A 14 -7.174 3.456 -4.897 0.20 0.00 N ATOM 298 N BARG A 14 -6.577 3.487 -4.952 0.80 0.00 N ATOM 299 CA AARG A 14 -6.225 4.391 -5.490 0.20 0.00 C ATOM 300 CA BARG A 14 -5.652 4.205 -5.820 0.80 0.00 C ATOM 301 C AARG A 14 -4.896 3.703 -5.787 0.20 0.00 C ATOM 302 C BARG A 14 -4.319 3.468 -5.921 0.80 0.00 C ATOM 303 O AARG A 14 -4.537 2.720 -5.141 0.20 0.00 O ATOM 304 O BARG A 14 -4.056 2.534 -5.164 0.80 0.00 O ATOM 305 CB AARG A 14 -5.999 5.582 -4.557 0.20 0.00 C ATOM 306 CB BARG A 14 -5.424 5.623 -5.294 0.80 0.00 C ATOM 307 CG AARG A 14 -6.577 6.886 -5.080 0.20 0.00 C ATOM 308 CG BARG A 14 -6.704 6.427 -5.134 0.80 0.00 C ATOM 309 CD AARG A 14 -5.614 8.044 -4.875 0.20 0.00 C ATOM 310 CD BARG A 14 -6.801 7.534 -6.170 0.80 0.00 C ATOM 311 NE AARG A 14 -5.515 8.891 -6.060 0.20 0.00 N ATOM 312 NE BARG A 14 -5.647 8.432 -6.122 0.80 0.00 N ATOM 313 CZ AARG A 14 -4.532 9.762 -6.261 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.414 9.377 -7.024 0.80 0.00 C ATOM 315 NH1AARG A 14 -3.568 9.899 -5.362 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.249 9.551 -8.040 0.80 0.00 N ATOM 317 NH2AARG A 14 -4.511 10.496 -7.367 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.343 10.153 -6.913 0.80 0.00 N ATOM 0 H AARG A 14 -6.875 3.061 -4.005 0.20 0.00 H new ATOM 0 H BARG A 14 -6.219 3.303 -4.015 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.646 4.749 -6.430 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.094 4.260 -6.815 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.443 5.361 -3.586 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.918 5.567 -4.330 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.928 5.708 -4.396 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.756 6.151 -5.975 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.805 6.784 -6.141 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.565 5.765 -5.227 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.517 7.099 -4.571 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.741 6.859 -4.134 0.80 0.00 H new ATOM 0 HD2AARG A 14 -5.944 8.644 -4.027 0.20 0.00 H new ATOM 0 HD2BARG A 14 -6.877 7.094 -7.164 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.627 7.655 -4.625 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.713 8.107 -6.004 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.240 8.810 -6.773 0.20 0.00 H new ATOM 0 HE BARG A 14 -4.985 8.326 -5.353 0.80 0.00 H new ATOM 0 HH11AARG A 14 -3.579 9.335 -4.512 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.074 8.957 -8.130 0.80 0.00 H new ATOM 0 HH12AARG A 14 -2.815 10.569 -5.520 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.066 10.278 -8.731 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.250 10.391 -8.063 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.698 10.023 -6.134 0.80 0.00 H new ATOM 0 HH22AARG A 14 -3.756 11.165 -7.521 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.165 10.879 -7.607 0.80 0.00 H new ATOM 345 N AMET A 15 -4.170 4.227 -6.768 0.20 0.00 N ATOM 346 N BMET A 15 -3.485 3.893 -6.864 0.80 0.00 N ATOM 347 CA AMET A 15 -2.880 3.664 -7.149 0.20 0.00 C ATOM 348 CA BMET A 15 -2.180 3.274 -7.063 0.80 0.00 C ATOM 349 C AMET A 15 -1.761 4.682 -6.945 0.20 0.00 C ATOM 350 C BMET A 15 -1.089 4.333 -7.194 0.80 0.00 C ATOM 351 O AMET A 15 -2.016 5.869 -6.750 0.20 0.00 O ATOM 352 O BMET A 15 -1.225 5.287 -7.960 0.80 0.00 O ATOM 353 CB AMET A 15 -2.910 3.207 -8.609 0.20 0.00 C ATOM 354 CB BMET A 15 -2.197 2.388 -8.312 0.80 0.00 C ATOM 355 CG AMET A 15 -2.072 1.966 -8.875 0.20 0.00 C ATOM 356 CG BMET A 15 -0.823 1.882 -8.717 0.80 0.00 C ATOM 357 SD AMET A 15 -0.725 2.275 -10.033 0.20 0.00 S ATOM 358 SD BMET A 15 -0.852 0.170 -9.280 0.80 0.00 S ATOM 359 CE AMET A 15 0.132 0.702 -9.979 0.20 0.00 C ATOM 360 CE BMET A 15 0.842 -0.037 -9.824 0.80 0.00 C ATOM 0 H AMET A 15 -4.453 5.041 -7.314 0.20 0.00 H new ATOM 0 H BMET A 15 -3.689 4.663 -7.502 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.684 2.803 -6.510 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.962 2.658 -6.191 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.942 3.007 -8.897 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.851 1.535 -8.133 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.553 4.019 -9.243 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.627 2.951 -9.141 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.661 1.601 -7.934 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.427 2.515 -9.511 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.712 1.177 -9.270 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.143 1.970 -7.870 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.994 0.734 -10.646 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.853 -0.361 -10.865 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.468 0.506 -8.961 0.20 0.00 H new ATOM 0 HE2BMET A 15 1.372 0.911 -9.734 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.544 -0.092 -10.297 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.334 -0.787 -9.205 0.80 0.00 H new ATOM 379 N ASER A 16 -0.520 4.206 -6.993 0.20 0.00 N ATOM 380 N BSER A 16 -0.008 4.160 -6.440 0.80 0.00 N ATOM 381 CA ASER A 16 0.637 5.074 -6.809 0.20 0.00 C ATOM 382 CA BSER A 16 1.104 5.103 -6.468 0.80 0.00 C ATOM 383 C ASER A 16 1.290 5.402 -8.150 0.20 0.00 C ATOM 384 C BSER A 16 1.661 5.244 -7.881 0.80 0.00 C ATOM 385 O ASER A 16 0.965 4.798 -9.173 0.20 0.00 O ATOM 386 O BSER A 16 1.312 4.475 -8.778 0.80 0.00 O ATOM 387 CB ASER A 16 1.658 4.409 -5.883 0.20 0.00 C ATOM 388 CB BSER A 16 2.210 4.648 -5.515 0.80 0.00 C ATOM 389 OG ASER A 16 1.984 5.255 -4.793 0.20 0.00 O ATOM 390 OG BSER A 16 2.772 5.752 -4.824 0.80 0.00 O ATOM 0 H ASER A 16 -0.291 3.226 -7.157 0.20 0.00 H new ATOM 0 H BSER A 16 0.121 3.375 -5.802 0.80 0.00 H new ATOM 0 HA ASER A 16 0.294 6.003 -6.354 0.20 0.00 H new ATOM 0 HA BSER A 16 0.732 6.075 -6.144 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.256 3.467 -5.509 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.806 3.933 -4.798 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.561 4.169 -6.444 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.989 4.131 -6.076 0.80 0.00 H new ATOM 0 HG ASER A 16 2.637 4.807 -4.215 0.20 0.00 H new ATOM 0 HG BSER A 16 3.476 5.436 -4.220 0.80 0.00 H new ATOM 401 N AARG A 17 2.209 6.361 -8.134 0.20 0.00 N ATOM 402 N BARG A 17 2.530 6.232 -8.073 0.80 0.00 N ATOM 403 CA AARG A 17 2.905 6.770 -9.348 0.20 0.00 C ATOM 404 CA BARG A 17 3.136 6.474 -9.377 0.80 0.00 C ATOM 405 C AARG A 17 4.414 6.612 -9.188 0.20 0.00 C ATOM 406 C BARG A 17 4.653 6.321 -9.308 0.80 0.00 C ATOM 407 O AARG A 17 5.118 6.284 -10.141 0.20 0.00 O ATOM 408 O BARG A 17 5.298 5.999 -10.305 0.80 0.00 O ATOM 409 CB AARG A 17 2.566 8.222 -9.690 0.20 0.00 C ATOM 410 CB BARG A 17 2.776 7.875 -9.877 0.80 0.00 C ATOM 411 CG AARG A 17 3.356 8.770 -10.868 0.20 0.00 C ATOM 412 CG BARG A 17 3.547 8.295 -11.116 0.80 0.00 C ATOM 413 CD AARG A 17 3.104 10.257 -11.063 0.20 0.00 C ATOM 414 CD BARG A 17 3.200 9.717 -11.533 0.80 0.00 C ATOM 415 NE AARG A 17 1.682 10.584 -11.003 0.20 0.00 N ATOM 416 NE BARG A 17 1.759 9.948 -11.547 0.80 0.00 N ATOM 417 CZ AARG A 17 1.218 11.824 -10.895 0.20 0.00 C ATOM 418 CZ BARG A 17 1.207 11.153 -11.499 0.80 0.00 C ATOM 419 NH1AARG A 17 2.058 12.848 -10.834 0.20 0.00 N ATOM 420 NH1BARG A 17 1.972 12.235 -11.440 0.80 0.00 N ATOM 421 NH2AARG A 17 -0.090 12.042 -10.846 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.115 11.282 -11.515 0.80 0.00 N ATOM 0 H AARG A 17 2.489 6.869 -7.295 0.20 0.00 H new ATOM 0 H BARG A 17 2.830 6.877 -7.342 0.80 0.00 H new ATOM 0 HA AARG A 17 2.574 6.125 -10.162 0.20 0.00 H new ATOM 0 HA BARG A 17 2.745 5.734 -10.075 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.501 8.295 -9.912 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.708 7.911 -10.094 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.753 8.846 -8.816 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.964 8.595 -9.081 0.80 0.00 H new ATOM 0 HG2AARG A 17 4.420 8.598 -10.706 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.617 8.222 -10.922 0.80 0.00 H new ATOM 0 HG3AARG A 17 3.081 8.231 -11.775 0.20 0.00 H new ATOM 0 HG3BARG A 17 3.324 7.610 -11.934 0.80 0.00 H new ATOM 0 HD2AARG A 17 3.638 10.819 -10.296 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.673 10.421 -10.848 0.80 0.00 H new ATOM 0 HD3AARG A 17 3.507 10.570 -12.026 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.608 9.914 -12.524 0.80 0.00 H new ATOM 0 HE AARG A 17 1.009 9.819 -11.046 0.20 0.00 H new ATOM 0 HE BARG A 17 1.142 9.137 -11.596 0.80 0.00 H new ATOM 0 HH11AARG A 17 3.064 12.685 -10.870 0.20 0.00 H new ATOM 0 HH11BARG A 17 2.988 12.142 -11.431 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.698 13.799 -10.751 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.545 13.160 -11.403 0.80 0.00 H new ATOM 0 HH21AARG A 17 -0.740 11.257 -10.891 0.20 0.00 H new ATOM 0 HH21BARG A 17 -0.708 10.453 -11.564 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.446 12.994 -10.763 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.537 12.210 -11.478 0.80 0.00 H new ATOM 449 N AASN A 18 4.903 6.848 -7.974 0.20 0.00 N ATOM 450 N BASN A 18 5.213 6.554 -8.126 0.80 0.00 N ATOM 451 CA AASN A 18 6.329 6.733 -7.690 0.20 0.00 C ATOM 452 CA BASN A 18 6.654 6.443 -7.930 0.80 0.00 C ATOM 453 C AASN A 18 6.597 5.598 -6.707 0.20 0.00 C ATOM 454 C BASN A 18 7.072 4.982 -7.787 0.80 0.00 C ATOM 455 O AASN A 18 7.210 5.802 -5.659 0.20 0.00 O ATOM 456 O BASN A 18 8.011 4.529 -8.440 0.80 0.00 O ATOM 457 CB AASN A 18 6.866 8.050 -7.124 0.20 0.00 C ATOM 458 CB BASN A 18 7.082 7.231 -6.690 0.80 0.00 C ATOM 459 CG AASN A 18 6.193 9.261 -7.741 0.20 0.00 C ATOM 460 CG BASN A 18 6.706 8.697 -6.778 0.80 0.00 C ATOM 461 OD1AASN A 18 6.118 9.283 -9.067 0.20 0.00 O flip ATOM 462 OD1BASN A 18 6.128 9.143 -7.769 0.80 0.00 O ATOM 463 ND2AASN A 18 5.749 10.165 -7.036 0.20 0.00 N flip ATOM 464 ND2BASN A 18 7.037 9.456 -5.739 0.80 0.00 N ATOM 0 H AASN A 18 4.333 7.120 -7.173 0.20 0.00 H new ATOM 0 H BASN A 18 4.692 6.820 -7.290 0.80 0.00 H new ATOM 0 HA AASN A 18 6.844 6.511 -8.625 0.20 0.00 H new ATOM 0 HA BASN A 18 7.149 6.860 -8.807 0.80 0.00 H new ATOM 0 HB2AASN A 18 6.717 8.066 -6.044 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.618 6.792 -5.806 0.80 0.00 H new ATOM 0 HB3AASN A 18 7.940 8.106 -7.299 0.20 0.00 H new ATOM 0 HB3BASN A 18 8.161 7.143 -6.561 0.80 0.00 H new ATOM 0 HD21AASN A 18 5.829 10.106 -6.021 0.20 0.00 H new ATOM 0 HD21BASN A 18 6.812 10.451 -5.742 0.80 0.00 H new ATOM 0 HD22AASN A 18 5.301 10.974 -7.466 0.20 0.00 H new ATOM 0 HD22BASN A 18 7.516 9.044 -4.938 0.80 0.00 H new ATOM 477 N ASER A 19 6.134 4.402 -7.053 0.20 0.00 N ATOM 478 N BSER A 19 6.367 4.252 -6.930 0.80 0.00 N ATOM 479 CA ASER A 19 6.322 3.232 -6.200 0.20 0.00 C ATOM 480 CA BSER A 19 6.666 2.843 -6.700 0.80 0.00 C ATOM 481 C ASER A 19 5.782 1.976 -6.875 0.20 0.00 C ATOM 482 C BSER A 19 5.639 1.950 -7.388 0.80 0.00 C ATOM 483 O ASER A 19 6.544 1.135 -7.350 0.20 0.00 O ATOM 484 O BSER A 19 5.968 1.199 -8.306 0.80 0.00 O ATOM 485 CB ASER A 19 5.626 3.442 -4.854 0.20 0.00 C ATOM 486 CB BSER A 19 6.696 2.545 -5.199 0.80 0.00 C ATOM 487 OG ASER A 19 6.571 3.591 -3.810 0.20 0.00 O ATOM 488 OG BSER A 19 5.468 2.898 -4.586 0.80 0.00 O ATOM 0 H ASER A 19 5.626 4.216 -7.918 0.20 0.00 H new ATOM 0 H BSER A 19 5.585 4.612 -6.383 0.80 0.00 H new ATOM 0 HA ASER A 19 7.391 3.101 -6.032 0.20 0.00 H new ATOM 0 HA BSER A 19 7.647 2.631 -7.125 0.80 0.00 H new ATOM 0 HB2ASER A 19 4.991 4.327 -4.903 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.895 1.485 -5.039 0.80 0.00 H new ATOM 0 HB3ASER A 19 4.975 2.594 -4.641 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.512 3.097 -4.731 0.80 0.00 H new ATOM 0 HG ASER A 19 7.148 4.361 -3.998 0.20 0.00 H new ATOM 0 HG BSER A 19 5.511 2.697 -3.628 0.80 0.00 H new ATOM 499 N AGLY A 20 4.458 1.853 -6.913 0.20 0.00 N ATOM 500 N BGLY A 20 4.391 2.036 -6.936 0.80 0.00 N ATOM 501 CA AGLY A 20 3.838 0.695 -7.530 0.20 0.00 C ATOM 502 CA BGLY A 20 3.334 1.230 -7.519 0.80 0.00 C ATOM 503 C AGLY A 20 2.879 -0.015 -6.595 0.20 0.00 C ATOM 504 C BGLY A 20 2.589 0.413 -6.482 0.80 0.00 C ATOM 505 O AGLY A 20 1.931 -0.662 -7.042 0.20 0.00 O ATOM 506 O BGLY A 20 2.092 -0.673 -6.777 0.80 0.00 O ATOM 0 H AGLY A 20 3.804 2.535 -6.528 0.20 0.00 H new ATOM 0 H BGLY A 20 4.094 2.649 -6.177 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.302 1.008 -8.426 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.630 1.880 -8.039 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.613 -0.002 -7.849 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.761 0.561 -8.266 0.80 0.00 H new ATOM 513 N AARG A 21 3.127 0.101 -5.294 0.20 0.00 N ATOM 514 N BARG A 21 2.515 0.935 -5.262 0.80 0.00 N ATOM 515 CA AARG A 21 2.280 -0.540 -4.295 0.20 0.00 C ATOM 516 CA BARG A 21 1.829 0.245 -4.177 0.80 0.00 C ATOM 517 C AARG A 21 0.824 -0.120 -4.467 0.20 0.00 C ATOM 518 C BARG A 21 0.374 0.699 -4.077 0.80 0.00 C ATOM 519 O AARG A 21 0.494 0.668 -5.355 0.20 0.00 O ATOM 520 O BARG A 21 0.091 1.894 -3.989 0.80 0.00 O ATOM 521 CB AARG A 21 2.762 -0.185 -2.886 0.20 0.00 C ATOM 522 CB BARG A 21 2.543 0.499 -2.848 0.80 0.00 C ATOM 523 CG AARG A 21 4.225 -0.512 -2.644 0.20 0.00 C ATOM 524 CG BARG A 21 3.410 -0.662 -2.390 0.80 0.00 C ATOM 525 CD AARG A 21 4.741 0.148 -1.373 0.20 0.00 C ATOM 526 CD BARG A 21 4.607 -0.183 -1.586 0.80 0.00 C ATOM 527 NE AARG A 21 3.795 0.019 -0.267 0.20 0.00 N ATOM 528 NE BARG A 21 4.230 0.801 -0.576 0.80 0.00 N ATOM 529 CZ AARG A 21 3.791 0.820 0.793 0.20 0.00 C ATOM 530 CZ BARG A 21 5.105 1.450 0.185 0.80 0.00 C ATOM 531 NH1AARG A 21 4.675 1.802 0.891 0.20 0.00 N ATOM 532 NH1BARG A 21 6.404 1.219 0.048 0.80 0.00 N ATOM 533 NH2AARG A 21 2.900 0.638 1.759 0.20 0.00 N ATOM 534 NH2BARG A 21 4.683 2.330 1.082 0.80 0.00 N ATOM 0 H AARG A 21 3.907 0.633 -4.908 0.20 0.00 H new ATOM 0 H BARG A 21 2.922 1.833 -5.001 0.80 0.00 H new ATOM 0 HA AARG A 21 2.347 -1.619 -4.435 0.20 0.00 H new ATOM 0 HA BARG A 21 1.846 -0.823 -4.393 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.603 0.880 -2.714 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.164 1.390 -2.944 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.153 -0.720 -2.157 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.799 0.710 -2.080 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.350 -1.592 -2.571 0.20 0.00 H new ATOM 0 HG2BARG A 21 2.814 -1.345 -1.785 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.819 -0.179 -3.495 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.755 -1.224 -3.258 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.692 -0.303 -1.091 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.083 -1.036 -1.101 0.80 0.00 H new ATOM 0 HD3AARG A 21 4.933 1.204 -1.565 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.345 0.253 -2.259 0.80 0.00 H new ATOM 0 HE AARG A 21 3.100 -0.726 -0.311 0.20 0.00 H new ATOM 0 HE BARG A 21 3.238 1.002 -0.447 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.362 1.945 0.151 0.20 0.00 H new ATOM 0 HH11BARG A 21 6.732 0.543 -0.642 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.668 2.415 1.706 0.20 0.00 H new ATOM 0 HH12BARG A 21 7.075 1.718 0.632 0.80 0.00 H new ATOM 0 HH21AARG A 21 2.218 -0.117 1.688 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.685 2.510 1.189 0.80 0.00 H new ATOM 0 HH22AARG A 21 2.897 1.253 2.573 0.20 0.00 H new ATOM 0 HH22BARG A 21 5.356 2.827 1.665 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.046 -0.651 -3.613 0.20 0.00 N ATOM 562 N BVAL A 22 -0.543 -0.264 -4.093 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.466 -0.331 -3.670 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.965 0.036 -4.006 0.80 0.00 C ATOM 565 C AVAL A 22 -2.014 -0.008 -2.285 0.20 0.00 C ATOM 566 C BVAL A 22 -2.357 0.443 -2.590 0.80 0.00 C ATOM 567 O AVAL A 22 -1.606 -0.610 -1.289 0.20 0.00 O ATOM 568 O BVAL A 22 -1.894 -0.150 -1.613 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.280 -1.493 -4.272 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.822 -1.171 -4.436 0.80 0.00 C ATOM 571 CG1AVAL A 22 -3.767 -1.174 -4.247 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.298 -0.890 -4.203 0.80 0.00 C ATOM 573 CG2AVAL A 22 -1.814 -1.789 -5.690 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.559 -1.518 -5.893 0.80 0.00 C ATOM 0 H AVAL A 22 0.209 -1.305 -2.873 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.325 -1.258 -4.165 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.566 0.545 -4.311 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.153 0.867 -4.685 0.80 0.00 H new ATOM 0 HB AVAL A 22 -2.114 -2.383 -3.665 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.541 -2.029 -3.826 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -4.325 -2.006 -4.676 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.886 -1.754 -4.513 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -4.088 -1.015 -3.218 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.469 -0.696 -3.144 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -3.955 -0.272 -4.829 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.599 -0.019 -4.785 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.399 -2.612 -6.101 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.172 -2.372 -6.180 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.949 -0.903 -6.310 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.810 -0.664 -6.522 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -0.759 -2.065 -5.676 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.506 -1.767 -6.023 0.80 0.00 H new ATOM 593 N ATYR A 23 -2.937 0.945 -2.225 0.20 0.00 N ATOM 594 N BTYR A 23 -3.208 1.456 -2.485 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.539 1.350 -0.961 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.660 1.944 -1.187 0.80 0.00 C ATOM 597 C ATYR A 23 -4.926 1.946 -1.184 0.20 0.00 C ATOM 598 C BTYR A 23 -5.101 2.436 -1.261 0.80 0.00 C ATOM 599 O ATYR A 23 -5.446 1.938 -2.301 0.20 0.00 O ATOM 600 O BTYR A 23 -5.709 2.451 -2.332 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.644 2.364 -0.249 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.750 3.071 -0.698 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.368 3.607 -1.066 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.768 4.294 -1.588 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.059 4.788 -0.824 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.703 5.303 -1.392 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.415 3.601 -2.077 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.852 4.439 -2.622 0.80 0.00 C ATOM 609 CE1ATYR A 23 -2.812 5.926 -1.567 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.725 6.423 -2.203 0.80 0.00 C ATOM 611 CE2ATYR A 23 -1.160 4.735 -2.823 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.865 5.555 -3.436 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.861 5.894 -2.566 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.804 6.543 -3.223 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.608 7.025 -3.308 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.821 7.655 -4.034 0.80 0.00 O ATOM 0 H ATYR A 23 -3.285 1.452 -3.039 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.600 1.956 -3.283 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.641 0.463 -0.335 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.614 1.115 -0.480 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.114 2.654 0.691 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -3.053 3.360 0.308 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.697 1.887 0.002 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.728 2.697 -0.629 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -3.802 4.817 -0.041 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.424 5.211 -0.593 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.865 2.695 -2.283 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -1.117 3.666 -2.792 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.360 6.835 -1.367 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.458 7.199 -2.039 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -0.415 4.714 -3.604 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.144 5.653 -4.234 0.80 0.00 H new ATOM 0 HH ATYR A 23 -0.910 6.833 -3.969 0.20 0.00 H new ATOM 0 HH BTYR A 23 -2.107 7.584 -4.701 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.518 2.466 -0.115 0.20 0.00 N ATOM 636 N BTYR A 24 -5.642 2.835 -0.116 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.844 3.065 -0.192 0.20 0.00 C ATOM 638 CA BTYR A 24 -7.014 3.327 -0.049 0.80 0.00 C ATOM 639 C ATYR A 24 -6.804 4.531 0.231 0.20 0.00 C ATOM 640 C BTYR A 24 -7.064 4.723 0.566 0.80 0.00 C ATOM 641 O ATYR A 24 -5.882 4.965 0.922 0.20 0.00 O ATOM 642 O BTYR A 24 -6.463 4.975 1.611 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.827 2.294 0.691 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.882 2.367 0.768 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.886 0.816 0.383 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.648 0.911 0.439 0.80 0.00 C ATOM 647 CD1ATYR A 24 -7.359 -0.120 1.266 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.934 0.090 1.304 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.470 0.353 -0.791 0.20 0.00 C ATOM 650 CD2BTYR A 24 -8.139 0.356 -0.736 0.80 0.00 C ATOM 651 CE1ATYR A 24 -7.412 -1.472 0.987 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.717 -1.242 1.007 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.526 -0.995 -1.075 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.928 -0.975 -1.040 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.997 -1.904 -0.185 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.215 -1.770 -0.166 0.80 0.00 C ATOM 657 OH ATYR A 24 -8.051 -3.252 -0.466 0.20 0.00 O ATOM 658 OH BTYR A 24 -7.002 -3.097 -0.464 0.80 0.00 O ATOM 0 H ATYR A 24 -5.100 2.485 0.815 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.152 2.828 0.779 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.179 3.013 -1.228 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.403 3.384 -1.066 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.546 2.428 1.736 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.687 2.527 1.828 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.822 2.722 0.571 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.932 2.605 0.597 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -6.901 0.215 2.185 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.542 0.500 2.223 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -8.887 1.061 -1.492 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.695 0.976 -1.424 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -6.998 -2.187 1.683 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -6.160 -1.867 1.690 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -8.983 -1.337 -1.992 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -8.319 -1.391 -1.957 0.80 0.00 H new ATOM 0 HH ATYR A 24 -8.495 -3.389 -1.329 0.20 0.00 H new ATOM 0 HH BTYR A 24 -7.419 -3.310 -1.325 0.80 0.00 H new ATOM 677 N APHE A 25 -7.814 5.288 -0.188 0.20 0.00 N ATOM 678 N BPHE A 25 -7.784 5.626 -0.091 0.80 0.00 N ATOM 679 CA APHE A 25 -7.894 6.705 0.146 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.912 6.997 0.388 0.80 0.00 C ATOM 681 C APHE A 25 -9.302 7.075 0.609 0.20 0.00 C ATOM 682 C BPHE A 25 -9.380 7.397 0.506 0.80 0.00 C ATOM 683 O APHE A 25 -10.293 6.634 0.028 0.20 0.00 O ATOM 684 O BPHE A 25 -10.208 7.008 -0.316 0.80 0.00 O ATOM 685 CB APHE A 25 -7.502 7.560 -1.060 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.185 7.960 -0.552 0.80 0.00 C ATOM 687 CG APHE A 25 -7.790 9.023 -0.880 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.449 9.408 -0.251 0.80 0.00 C ATOM 689 CD1APHE A 25 -9.022 9.549 -1.232 0.20 0.00 C ATOM 690 CD1BPHE A 25 -8.267 10.163 -1.076 0.80 0.00 C ATOM 691 CD2APHE A 25 -6.827 9.871 -0.356 0.20 0.00 C ATOM 692 CD2BPHE A 25 -6.879 10.012 0.858 0.80 0.00 C ATOM 693 CE1APHE A 25 -9.289 10.895 -1.066 0.20 0.00 C ATOM 694 CE1BPHE A 25 -8.514 11.495 -0.802 0.80 0.00 C ATOM 695 CE2APHE A 25 -7.090 11.218 -0.187 0.20 0.00 C ATOM 696 CE2BPHE A 25 -7.122 11.345 1.137 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.321 11.730 -0.544 0.20 0.00 C ATOM 698 CZ BPHE A 25 -7.939 12.087 0.307 0.80 0.00 C ATOM 0 H APHE A 25 -8.587 4.944 -0.758 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.288 5.433 -0.957 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.197 6.900 0.961 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.457 7.053 1.377 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.438 7.429 -1.257 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.113 7.774 -0.491 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.035 7.199 -1.939 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.487 7.750 -1.578 0.80 0.00 H new ATOM 0 HD1APHE A 25 -9.783 8.900 -1.641 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -8.717 9.705 -1.944 0.80 0.00 H new ATOM 0 HD2APHE A 25 -5.861 9.476 -0.077 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -6.239 9.437 1.511 0.80 0.00 H new ATOM 0 HE1APHE A 25 -10.254 11.293 -1.344 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -9.155 12.072 -1.453 0.80 0.00 H new ATOM 0 HE2APHE A 25 -6.333 11.869 0.224 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -6.673 11.806 2.004 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.527 12.782 -0.415 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.128 13.128 0.524 0.80 0.00 H new ATOM 717 N AASN A 26 -9.379 7.886 1.659 0.20 0.00 N ATOM 718 N BASN A 26 -9.696 8.174 1.538 0.80 0.00 N ATOM 719 CA AASN A 26 -10.664 8.313 2.200 0.20 0.00 C ATOM 720 CA BASN A 26 -11.063 8.624 1.766 0.80 0.00 C ATOM 721 C AASN A 26 -11.002 9.730 1.745 0.20 0.00 C ATOM 722 C BASN A 26 -11.226 10.089 1.369 0.80 0.00 C ATOM 723 O AASN A 26 -10.355 10.696 2.152 0.20 0.00 O ATOM 724 O BASN A 26 -10.487 10.957 1.838 0.80 0.00 O ATOM 725 CB AASN A 26 -10.644 8.249 3.728 0.20 0.00 C ATOM 726 CB BASN A 26 -11.446 8.437 3.235 0.80 0.00 C ATOM 727 CG AASN A 26 -12.020 8.447 4.334 0.20 0.00 C ATOM 728 CG BASN A 26 -12.948 8.459 3.449 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.406 9.567 4.670 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.678 9.138 2.727 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.766 7.360 4.476 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.415 7.715 4.443 0.80 0.00 N ATOM 0 H AASN A 26 -8.568 8.260 2.152 0.20 0.00 H new ATOM 0 H BASN A 26 -9.023 8.505 2.229 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.431 7.636 1.824 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.726 8.021 1.146 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.247 7.284 4.043 0.20 0.00 H new ATOM 0 HB2BASN A 26 -11.044 7.490 3.594 0.80 0.00 H new ATOM 0 HB3AASN A 26 -9.968 9.013 4.112 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.985 9.225 3.831 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.701 7.432 4.878 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.417 7.690 4.634 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.405 6.452 4.184 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.773 7.168 5.016 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.018 9.847 0.898 0.20 0.00 N ATOM 746 N BHIS A 27 -12.198 10.357 0.502 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.443 11.146 0.388 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.459 11.717 0.043 0.80 0.00 C ATOM 749 C AHIS A 27 -13.541 11.741 1.264 0.20 0.00 C ATOM 750 C BHIS A 27 -13.283 12.487 1.070 0.80 0.00 C ATOM 751 O AHIS A 27 -14.455 12.402 0.769 0.20 0.00 O ATOM 752 O BHIS A 27 -13.346 13.717 1.032 0.80 0.00 O ATOM 753 CB AHIS A 27 -12.940 11.015 -1.053 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.189 11.692 -1.299 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.256 10.312 -1.170 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.408 10.821 -1.303 0.80 0.00 C ATOM 757 ND1AHIS A 27 -14.886 9.462 -0.326 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.638 11.246 -0.850 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.086 10.448 -2.264 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.581 9.543 -1.711 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.071 9.105 -0.917 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.516 10.267 -0.976 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.169 9.714 -2.084 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -15.899 9.220 -1.496 0.80 0.00 N ATOM 0 H AHIS A 27 -12.563 9.058 0.550 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.817 9.651 0.104 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.583 11.815 0.409 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.502 12.223 -0.082 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.028 12.010 -1.490 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.478 12.709 -1.565 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.195 10.475 -1.638 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.502 11.344 -2.070 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.882 11.059 -3.131 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.823 8.896 -2.128 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.805 8.434 -0.496 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.559 10.314 -0.701 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.949 9.632 -2.736 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.331 8.320 -1.704 0.80 0.00 H new ATOM 779 N AILE A 28 -13.446 11.503 2.568 0.20 0.00 N ATOM 780 N BILE A 28 -13.913 11.758 1.986 0.80 0.00 N ATOM 781 CA AILE A 28 -14.431 12.015 3.513 0.20 0.00 C ATOM 782 CA BILE A 28 -14.732 12.375 3.021 0.80 0.00 C ATOM 783 C AILE A 28 -13.759 12.797 4.637 0.20 0.00 C ATOM 784 C BILE A 28 -13.884 12.787 4.219 0.80 0.00 C ATOM 785 O AILE A 28 -14.196 13.892 4.994 0.20 0.00 O ATOM 786 O BILE A 28 -14.003 13.905 4.724 0.80 0.00 O ATOM 787 CB AILE A 28 -15.269 10.877 4.124 0.20 0.00 C ATOM 788 CB BILE A 28 -15.846 11.423 3.498 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.056 10.150 3.030 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.778 11.072 2.336 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.211 11.425 5.186 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.629 12.056 4.640 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.025 11.043 2.288 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.936 10.185 2.738 0.80 0.00 C ATOM 0 H AILE A 28 -12.696 10.958 2.994 0.20 0.00 H new ATOM 0 H BILE A 28 -13.871 10.740 2.032 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.089 12.680 2.954 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.187 13.261 2.578 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.595 10.162 4.597 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.388 10.503 3.862 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.355 9.716 2.317 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.169 11.993 1.903 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.607 9.323 3.478 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.202 10.573 1.557 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.797 10.609 5.609 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.413 11.372 4.967 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.631 11.902 5.976 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.956 12.261 5.473 0.80 0.00 H new ATOM 0 HG23AILE A 28 -16.881 12.157 4.735 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.080 12.988 4.299 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.547 10.461 1.528 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.555 9.977 1.865 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.749 11.457 2.990 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.553 9.248 3.143 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.478 11.856 1.810 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.535 10.690 3.495 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.693 12.229 5.191 0.20 0.00 N ATOM 818 N BTHR A 29 -13.024 11.878 4.671 0.80 0.00 N ATOM 819 CA ATHR A 29 -11.961 12.872 6.273 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.155 12.148 5.808 0.80 0.00 C ATOM 821 C ATHR A 29 -10.521 13.165 5.866 0.20 0.00 C ATOM 822 C BTHR A 29 -10.812 12.705 5.354 0.80 0.00 C ATOM 823 O ATHR A 29 -9.624 13.208 6.708 0.20 0.00 O ATOM 824 O BTHR A 29 -10.087 13.319 6.138 0.80 0.00 O ATOM 825 CB ATHR A 29 -11.955 12.001 7.545 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.916 10.877 6.646 0.80 0.00 C ATOM 827 OG1ATHR A 29 -12.811 10.867 7.364 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.975 9.719 5.805 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.416 12.803 8.752 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.947 10.756 7.756 0.80 0.00 C ATOM 0 H ATHR A 29 -12.318 11.324 4.907 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.912 10.949 4.266 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.474 13.810 6.486 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.662 12.890 6.424 0.80 0.00 H new ATOM 0 HB ATHR A 29 -10.934 11.662 7.723 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.927 10.949 7.099 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -12.801 10.317 8.175 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.821 8.915 6.344 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.403 12.167 9.637 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.756 9.851 8.333 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.746 13.650 8.904 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.880 11.625 8.411 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.429 13.167 8.581 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.945 10.706 7.321 0.80 0.00 H new ATOM 845 N AASN A 30 -10.308 13.367 4.571 0.20 0.00 N ATOM 846 N BASN A 30 -10.484 12.488 4.087 0.80 0.00 N ATOM 847 CA AASN A 30 -8.977 13.657 4.052 0.20 0.00 C ATOM 848 CA BASN A 30 -9.226 12.970 3.527 0.80 0.00 C ATOM 849 C AASN A 30 -7.949 12.676 4.612 0.20 0.00 C ATOM 850 C BASN A 30 -8.037 12.305 4.214 0.80 0.00 C ATOM 851 O AASN A 30 -6.793 13.034 4.837 0.20 0.00 O ATOM 852 O BASN A 30 -7.219 12.973 4.847 0.80 0.00 O ATOM 853 CB AASN A 30 -8.571 15.090 4.398 0.20 0.00 C ATOM 854 CB BASN A 30 -9.129 14.490 3.672 0.80 0.00 C ATOM 855 CG AASN A 30 -9.134 16.103 3.419 0.20 0.00 C ATOM 856 CG BASN A 30 -8.165 15.105 2.676 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.131 16.768 3.702 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.567 15.846 1.780 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.497 16.223 2.260 0.20 0.00 N ATOM 860 ND2BASN A 30 -6.882 14.797 2.828 0.80 0.00 N ATOM 0 H AASN A 30 -11.040 13.335 3.861 0.20 0.00 H new ATOM 0 H BASN A 30 -11.072 11.981 3.426 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.006 13.547 2.968 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.204 12.711 2.468 0.80 0.00 H new ATOM 0 HB2AASN A 30 -8.916 15.330 5.404 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.117 14.929 3.536 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.484 15.164 4.408 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.808 14.736 4.684 0.80 0.00 H new ATOM 0 HD21AASN A 30 -8.830 16.887 1.561 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.186 15.179 2.187 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.674 15.651 2.069 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.592 14.178 3.585 0.80 0.00 H new ATOM 873 N AALA A 31 -8.380 11.440 4.834 0.20 0.00 N ATOM 874 N BALA A 31 -7.948 10.985 4.085 0.80 0.00 N ATOM 875 CA AALA A 31 -7.497 10.408 5.365 0.20 0.00 C ATOM 876 CA BALA A 31 -6.858 10.230 4.691 0.80 0.00 C ATOM 877 C AALA A 31 -6.993 9.492 4.257 0.20 0.00 C ATOM 878 C BALA A 31 -6.598 8.934 3.929 0.80 0.00 C ATOM 879 O AALA A 31 -7.628 9.362 3.209 0.20 0.00 O ATOM 880 O BALA A 31 -7.474 8.431 3.226 0.80 0.00 O ATOM 881 CB AALA A 31 -8.218 9.598 6.434 0.20 0.00 C ATOM 882 CB BALA A 31 -7.169 9.934 6.150 0.80 0.00 C ATOM 0 H AALA A 31 -9.334 11.128 4.655 0.20 0.00 H new ATOM 0 H BALA A 31 -8.618 10.417 3.566 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.634 10.899 5.814 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.955 10.838 4.640 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.548 8.831 6.823 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.347 9.370 6.590 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.524 10.258 7.246 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.297 10.871 6.692 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.099 9.125 6.000 0.20 0.00 H new ATOM 0 HB3BALA A 31 -8.086 9.349 6.215 0.80 0.00 H new ATOM 893 N ASER A 32 -5.848 8.859 4.492 0.20 0.00 N ATOM 894 N BSER A 32 -5.390 8.400 4.077 0.80 0.00 N ATOM 895 CA ASER A 32 -5.258 7.959 3.511 0.20 0.00 C ATOM 896 CA BSER A 32 -5.014 7.165 3.397 0.80 0.00 C ATOM 897 C ASER A 32 -4.263 7.009 4.172 0.20 0.00 C ATOM 898 C BSER A 32 -4.607 6.094 4.407 0.80 0.00 C ATOM 899 O ASER A 32 -3.141 7.396 4.495 0.20 0.00 O ATOM 900 O BSER A 32 -4.120 6.403 5.493 0.80 0.00 O ATOM 901 CB ASER A 32 -4.559 8.757 2.409 0.20 0.00 C ATOM 902 CB BSER A 32 -3.865 7.424 2.421 0.80 0.00 C ATOM 903 OG ASER A 32 -4.571 8.051 1.180 0.20 0.00 O ATOM 904 OG BSER A 32 -3.827 6.436 1.406 0.80 0.00 O ATOM 0 H ASER A 32 -5.311 8.954 5.354 0.20 0.00 H new ATOM 0 H BSER A 32 -4.656 8.802 4.660 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.061 7.369 3.070 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.880 6.807 2.840 0.80 0.00 H new ATOM 0 HB2ASER A 32 -5.054 9.720 2.283 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.982 8.409 1.970 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.530 8.964 2.703 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.919 7.431 2.962 0.80 0.00 H new ATOM 0 HG ASER A 32 -4.119 8.584 0.492 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.654 5.910 1.430 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.686 5.764 4.371 0.20 0.00 N ATOM 916 N BGLN A 33 -4.812 4.835 4.037 0.80 0.00 N ATOM 917 CA AGLN A 33 -3.832 4.760 4.998 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.467 3.717 4.909 0.80 0.00 C ATOM 919 C AGLN A 33 -3.678 3.540 4.094 0.20 0.00 C ATOM 920 C BGLN A 33 -4.149 2.467 4.093 0.80 0.00 C ATOM 921 O AGLN A 33 -4.506 3.295 3.217 0.20 0.00 O ATOM 922 O BGLN A 33 -4.869 2.129 3.154 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.413 4.339 6.348 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.612 3.429 5.880 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.812 3.755 6.254 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.263 2.406 6.949 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.113 2.774 7.370 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.411 2.141 7.902 0.80 0.00 C ATOM 929 OE1AGLN A 33 -5.216 2.365 8.111 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.794 0.992 8.126 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.376 2.387 7.499 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.969 3.203 8.468 0.80 0.00 N ATOM 0 H AGLN A 33 -5.612 5.427 4.108 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.215 4.562 3.140 0.80 0.00 H new ATOM 0 HA AGLN A 33 -2.848 5.201 5.156 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.579 3.993 5.477 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -3.751 3.603 6.805 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.910 4.360 6.363 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.434 5.204 7.011 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.474 3.073 5.316 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.542 4.564 6.281 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.971 1.471 6.470 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -5.928 3.253 5.293 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.400 2.758 7.515 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -8.088 2.750 6.865 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.620 4.137 8.254 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -7.635 1.727 8.232 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.747 3.085 9.117 0.80 0.00 H new ATOM 949 N APHE A 34 -2.612 2.779 4.316 0.20 0.00 N ATOM 950 N BPHE A 34 -3.067 1.788 4.458 0.80 0.00 N ATOM 951 CA APHE A 34 -2.347 1.584 3.523 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.654 0.576 3.760 0.80 0.00 C ATOM 953 C APHE A 34 -3.099 0.381 4.082 0.20 0.00 C ATOM 954 C BPHE A 34 -3.454 -0.630 4.242 0.80 0.00 C ATOM 955 O APHE A 34 -3.425 -0.554 3.353 0.20 0.00 O ATOM 956 O BPHE A 34 -3.734 -1.549 3.473 0.80 0.00 O ATOM 957 CB APHE A 34 -0.846 1.291 3.489 0.20 0.00 C ATOM 958 CB BPHE A 34 -1.159 0.327 3.970 0.80 0.00 C ATOM 959 CG APHE A 34 -0.001 2.510 3.246 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.284 1.386 3.361 0.80 0.00 C ATOM 961 CD1APHE A 34 0.274 2.933 1.954 0.20 0.00 C ATOM 962 CD1BPHE A 34 -0.457 1.771 2.042 0.80 0.00 C ATOM 963 CD2APHE A 34 0.517 3.234 4.307 0.20 0.00 C ATOM 964 CD2BPHE A 34 0.711 1.995 4.110 0.80 0.00 C ATOM 965 CE1APHE A 34 1.048 4.054 1.727 0.20 0.00 C ATOM 966 CE1BPHE A 34 0.347 2.746 1.479 0.80 0.00 C ATOM 967 CE2APHE A 34 1.292 4.357 4.087 0.20 0.00 C ATOM 968 CE2BPHE A 34 1.516 2.970 3.553 0.80 0.00 C ATOM 969 CZ APHE A 34 1.560 4.767 2.794 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.336 3.345 2.236 0.80 0.00 C ATOM 0 H APHE A 34 -1.917 2.968 5.038 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.460 2.056 5.233 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.697 1.768 2.507 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.847 0.716 2.696 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.551 0.837 4.435 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.955 0.269 5.039 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.645 0.558 2.708 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.896 -0.641 3.542 0.80 0.00 H new ATOM 0 HD1APHE A 34 -0.122 2.379 1.116 0.20 0.00 H new ATOM 0 HD1BPHE A 34 -1.228 1.305 1.446 0.80 0.00 H new ATOM 0 HD2APHE A 34 0.313 2.917 5.319 0.20 0.00 H new ATOM 0 HD2BPHE A 34 0.858 1.704 5.140 0.80 0.00 H new ATOM 0 HE1APHE A 34 1.253 4.373 0.716 0.20 0.00 H new ATOM 0 HE1BPHE A 34 0.202 3.039 0.450 0.80 0.00 H new ATOM 0 HE2APHE A 34 1.688 4.913 4.924 0.20 0.00 H new ATOM 0 HE2BPHE A 34 2.286 3.439 4.148 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.168 5.642 2.619 0.20 0.00 H new ATOM 0 HZ BPHE A 34 1.967 4.105 1.799 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.369 0.413 5.384 0.20 0.00 N ATOM 990 N BGLU A 35 -3.819 -0.618 5.519 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.080 -0.675 6.042 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.587 -1.711 6.105 0.80 0.00 C ATOM 993 C AGLU A 35 -5.560 -0.664 5.668 0.20 0.00 C ATOM 994 C BGLU A 35 -6.024 -1.704 5.592 0.80 0.00 C ATOM 995 O AGLU A 35 -6.197 0.389 5.651 0.20 0.00 O ATOM 996 O BGLU A 35 -6.674 -0.659 5.552 0.80 0.00 O ATOM 997 CB AGLU A 35 -3.927 -0.571 7.561 0.20 0.00 C ATOM 998 CB BGLU A 35 -4.579 -1.610 7.632 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.169 -1.884 8.290 0.20 0.00 C ATOM 1000 CG BGLU A 35 -3.186 -1.481 8.227 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.645 -1.865 9.713 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.856 -2.606 9.188 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -3.333 -0.766 10.215 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -3.780 -3.081 9.884 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -3.547 -2.950 10.322 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -1.678 -3.009 9.247 0.80 0.00 O ATOM 0 H AGLU A 35 -3.106 1.180 6.002 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.596 0.136 6.168 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.644 -1.615 5.704 0.20 0.00 H new ATOM 0 HA BGLU A 35 -4.118 -2.649 5.808 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -2.923 -0.216 7.793 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -5.175 -0.749 7.934 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -4.624 0.178 7.937 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -5.062 -2.494 8.049 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.238 -2.097 8.303 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -2.451 -1.468 7.422 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -3.689 -2.694 7.741 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -3.104 -0.527 8.748 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.098 -1.841 5.368 0.20 0.00 N ATOM 1020 N BARG A 36 -6.511 -2.875 5.199 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.500 -1.966 4.990 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.871 -3.005 4.686 0.80 0.00 C ATOM 1023 C AARG A 36 -8.405 -1.849 6.214 0.20 0.00 C ATOM 1024 C BARG A 36 -8.876 -2.369 5.642 0.80 0.00 C ATOM 1025 O AARG A 36 -8.391 -2.694 7.110 0.20 0.00 O ATOM 1026 O BARG A 36 -9.145 -2.882 6.729 0.80 0.00 O ATOM 1027 CB AARG A 36 -7.746 -3.305 4.291 0.20 0.00 C ATOM 1028 CB BARG A 36 -8.218 -4.478 4.468 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.170 -3.481 3.792 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.626 -4.701 3.936 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.663 -4.904 4.003 0.20 0.00 C ATOM 1032 CD BARG A 36 -10.076 -6.138 4.137 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.378 -5.053 5.269 0.20 0.00 N ATOM 1034 NE BARG A 36 -11.516 -6.235 4.359 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.220 -6.048 5.523 0.20 0.00 C ATOM 1036 CZ BARG A 36 -12.104 -7.280 4.928 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.453 -6.976 4.606 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.378 -8.314 5.335 0.80 0.00 N ATOM 1039 NH2AARG A 36 -11.832 -6.115 6.699 0.20 0.00 N ATOM 1040 NH2BARG A 36 -13.420 -7.294 5.095 0.80 0.00 N ATOM 0 H AARG A 36 -5.584 -2.722 5.379 0.20 0.00 H new ATOM 0 H BARG A 36 -5.985 -3.749 5.225 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.737 -1.155 4.302 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.924 -2.482 3.731 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.061 -3.396 3.448 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.502 -4.912 3.770 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.510 -4.114 4.982 0.20 0.00 H new ATOM 0 HB3BARG A 36 -8.106 -5.012 5.412 0.80 0.00 H new ATOM 0 HG2AARG A 36 -9.828 -2.786 4.314 0.20 0.00 H new ATOM 0 HG2BARG A 36 -10.318 -4.028 4.442 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.219 -3.231 2.732 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.659 -4.453 2.875 0.80 0.00 H new ATOM 0 HD2AARG A 36 -10.320 -5.186 3.180 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.804 -6.729 3.262 0.80 0.00 H new ATOM 0 HD3AARG A 36 -8.815 -5.588 3.983 0.20 0.00 H new ATOM 0 HD3BARG A 36 -9.548 -6.567 4.989 0.80 0.00 H new ATOM 0 HE AARG A 36 -10.222 -4.355 5.996 0.20 0.00 H new ATOM 0 HE BARG A 36 -12.103 -5.456 4.060 0.80 0.00 H new ATOM 0 HH11AARG A 36 -10.985 -6.928 3.701 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.366 -8.307 5.211 0.80 0.00 H new ATOM 0 HH12AARG A 36 -12.100 -7.739 4.805 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.832 -9.116 5.772 0.80 0.00 H new ATOM 0 HH21AARG A 36 -11.655 -5.402 7.407 0.20 0.00 H new ATOM 0 HH21BARG A 36 -13.982 -6.501 4.786 0.80 0.00 H new ATOM 0 HH22AARG A 36 -12.479 -6.879 6.895 0.20 0.00 H new ATOM 0 HH22BARG A 36 -13.870 -8.098 5.532 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.211 -0.778 6.255 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.442 -1.227 5.230 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.135 -0.523 7.364 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.427 -0.497 6.035 0.80 0.00 C ATOM 1071 C APRO A 37 -11.293 -1.517 7.391 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.757 -1.237 6.137 0.80 0.00 C ATOM 1073 O APRO A 37 -11.511 -2.257 6.432 0.20 0.00 O ATOM 1074 O BPRO A 37 -12.437 -1.452 5.133 0.80 0.00 O ATOM 1075 CB APRO A 37 -10.649 0.890 7.080 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.604 0.818 5.274 0.80 0.00 C ATOM 1077 CG APRO A 37 -10.499 1.059 5.608 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.242 0.493 3.865 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.279 0.270 5.222 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.171 -0.559 3.946 0.80 0.00 C ATOM 0 HA APRO A 37 -9.648 -0.626 8.334 0.20 0.00 H new ATOM 0 HA BPRO A 37 -10.095 -0.368 7.065 0.80 0.00 H new ATOM 0 HB2APRO A 37 -11.689 1.002 7.387 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.629 1.182 5.345 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.073 1.638 7.625 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.960 1.599 5.678 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.381 0.695 5.082 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.108 0.127 3.314 0.80 0.00 H new ATOM 0 HG3APRO A 37 -10.383 2.111 5.346 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.881 1.378 3.341 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.375 -0.156 4.223 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.229 -1.257 3.110 0.80 0.00 H new ATOM 0 HD3APRO A 37 -8.383 0.891 5.219 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.174 -0.119 3.925 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.032 -1.525 8.496 0.20 0.00 N ATOM 1096 N BSER A 38 -12.124 -1.623 7.354 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.166 -2.431 8.649 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.372 -2.342 7.586 0.80 0.00 C ATOM 1099 C ASER A 38 -14.402 -1.878 7.944 0.20 0.00 C ATOM 1100 C BSER A 38 -14.494 -1.376 7.951 0.80 0.00 C ATOM 1101 O ASER A 38 -14.892 -2.461 6.976 0.20 0.00 O ATOM 1102 O BSER A 38 -14.251 -0.205 8.237 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.469 -2.655 10.131 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.190 -3.376 8.699 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.607 -1.422 10.817 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.325 -4.219 8.800 0.80 0.00 O ATOM 0 H ASER A 38 -11.867 -0.916 9.297 0.20 0.00 H new ATOM 0 H BSER A 38 -11.575 -1.450 8.196 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.903 -3.384 8.190 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.644 -2.856 6.664 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.385 -3.236 10.234 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.303 -3.977 8.500 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.668 -3.239 10.585 0.20 0.00 H new ATOM 0 HB3BSER A 38 -13.024 -2.868 9.649 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.802 -1.593 11.762 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.184 -4.872 9.517 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.901 -0.747 8.435 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.725 -1.879 7.940 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.073 -0.133 7.841 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.868 -1.048 8.271 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.301 -0.261 8.719 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.152 -1.554 7.646 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.194 -0.298 9.945 0.20 0.00 O ATOM 1124 O BGLY A 39 -19.099 -1.849 8.376 0.80 0.00 O ATOM 0 H AGLY A 39 -14.513 -0.245 9.234 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.951 -2.846 7.708 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -15.872 0.922 7.654 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.985 -1.011 9.354 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.271 -0.596 6.874 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.681 -0.028 7.935 0.80 0.00 H new