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= -0.336 K(o=-1.9,f=-14!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -0.337 K(o=-1.9,f=-12!) USER MOD Set 1.3: A 29 THR OG1B: rot 180:sc= -1.19 USER MOD Single : A 13 LYS NZ A:NH3+ 164:sc=-0.00465 (180deg=-0.105) USER MOD Single : A 13 LYS NZ B:NH3+ -139:sc= -0.492 (180deg=-2.57!) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl -130:sc= 0 (180deg=-0.0696) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.193 K(o=-0.19,f=-2.2!) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.0578 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 165:sc= -0.644 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A: no HE2:sc= -1.8 K(o=-1.8,f=-0.61) USER MOD Single : A 27 HIS B: no HD1:sc= -2.67 X(o=-2.7,f=-2.9) USER MOD Single : A 29 THR OG1A: rot 62:sc= 0.651 USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.516 K(o=0.52,f=-0.042) USER MOD Single : A 32 SER OG A: rot -16:sc= 0.568 USER MOD Single : A 32 SER OG B: rot 180:sc= 0 USER MOD Single : A 33 GLN A: amide:sc= -0.579 K(o=-0.58,f=-1.8) USER MOD Single : A 33 GLN B: amide:sc= 0.837 K(o=0.84,f=-1.5) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.0141 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.185 USER MOD ----------------------------------------------------------------- ATOM 67 N ALEU A 7 -15.159 -2.502 -0.512 0.20 0.00 N ATOM 68 N BLEU A 7 -14.986 -3.092 -0.739 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.975 -1.393 0.419 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.469 -1.973 0.042 0.80 0.00 C ATOM 71 C ALEU A 7 -16.270 -0.609 0.596 0.20 0.00 C ATOM 72 C BLEU A 7 -15.611 -1.128 0.601 0.80 0.00 C ATOM 73 O ALEU A 7 -17.117 -0.551 -0.297 0.20 0.00 O ATOM 74 O BLEU A 7 -16.688 -1.029 0.014 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.866 -0.463 -0.079 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.552 -1.103 -0.819 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.746 -1.123 -0.883 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.057 -1.405 -0.723 0.80 0.00 C ATOM 79 CD1ALEU A 7 -11.968 -0.081 -1.669 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.796 -2.887 -0.947 0.80 0.00 C ATOM 81 CD2ALEU A 7 -11.818 -1.903 0.038 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.277 -0.567 -1.724 0.80 0.00 C ATOM 0 HA ALEU A 7 -14.688 -1.806 1.386 0.20 0.00 H new ATOM 0 HA BLEU A 7 -13.896 -2.378 0.876 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.320 0.313 -0.696 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.857 -1.208 -1.860 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.422 0.034 0.783 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.710 -0.060 -0.544 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.194 -1.821 -1.590 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.718 -1.145 0.280 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.175 -0.570 -2.235 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.726 -3.083 -0.875 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.640 0.433 -2.356 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.323 -3.468 -0.190 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.530 0.642 -0.981 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.151 -3.174 -1.937 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.026 -2.367 -0.551 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.215 -0.796 -1.641 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.377 -1.225 0.769 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.619 -0.794 -2.734 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.385 -2.676 0.556 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.438 0.491 -1.516 0.80 0.00 H new ATOM 105 N APRO A 8 -16.431 0.012 1.774 0.20 0.00 N ATOM 106 N BPRO A 8 -15.371 -0.503 1.764 0.80 0.00 N ATOM 107 CA APRO A 8 -17.620 0.807 2.094 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.364 0.345 2.426 0.80 0.00 C ATOM 109 C APRO A 8 -17.686 2.101 1.293 0.20 0.00 C ATOM 110 C BPRO A 8 -16.615 1.645 1.668 0.80 0.00 C ATOM 111 O APRO A 8 -16.763 2.453 0.558 0.20 0.00 O ATOM 112 O BPRO A 8 -15.823 2.060 0.822 0.80 0.00 O ATOM 113 CB APRO A 8 -17.454 1.109 3.586 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.731 0.636 3.789 0.80 0.00 C ATOM 115 CG APRO A 8 -15.984 1.037 3.825 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.265 0.493 3.564 0.80 0.00 C ATOM 117 CD APRO A 8 -15.464 -0.013 2.883 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.109 -0.579 2.521 0.80 0.00 C ATOM 0 HA APRO A 8 -18.541 0.277 1.852 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.338 -0.141 2.488 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.848 2.094 3.837 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -15.982 1.638 4.136 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.991 0.385 4.199 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.085 -0.062 4.547 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.510 2.000 3.636 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.829 1.433 3.226 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.769 0.774 4.861 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.754 0.218 4.486 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.455 0.218 2.541 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.245 -0.396 1.882 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.423 -0.993 3.358 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -13.969 -1.561 2.972 0.80 0.00 H new ATOM 133 N APRO A 9 -18.804 2.830 1.434 0.20 0.00 N ATOM 134 N BPRO A 9 -17.743 2.302 1.976 0.80 0.00 N ATOM 135 CA APRO A 9 -19.016 4.098 0.730 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.124 3.564 1.336 0.80 0.00 C ATOM 137 C APRO A 9 -18.108 5.208 1.249 0.20 0.00 C ATOM 138 C BPRO A 9 -17.220 4.720 1.751 0.80 0.00 C ATOM 139 O APRO A 9 -18.524 6.034 2.063 0.20 0.00 O ATOM 140 O BPRO A 9 -16.779 4.797 2.895 0.80 0.00 O ATOM 141 CB APRO A 9 -20.483 4.426 1.022 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.552 3.798 1.833 0.80 0.00 C ATOM 143 CG APRO A 9 -20.779 3.724 2.302 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.628 3.063 3.126 0.80 0.00 C ATOM 145 CD APRO A 9 -19.945 2.471 2.291 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.733 1.864 2.974 0.80 0.00 C ATOM 0 HA APRO A 9 -18.787 4.017 -0.333 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.039 3.512 0.251 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.638 5.501 1.115 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.755 4.860 1.969 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.134 4.078 0.220 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.286 3.422 1.120 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.529 4.351 3.158 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.300 3.693 3.953 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.840 3.486 2.380 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.652 2.760 3.343 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.622 2.194 3.295 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.260 1.594 3.918 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.499 1.623 1.889 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.287 0.989 2.633 0.80 0.00 H new ATOM 161 N AGLY A 10 -16.868 5.224 0.774 0.20 0.00 N ATOM 162 N BGLY A 10 -16.949 5.620 0.809 0.80 0.00 N ATOM 163 CA AGLY A 10 -15.921 6.238 1.203 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.099 6.761 1.098 0.80 0.00 C ATOM 165 C AGLY A 10 -14.489 5.873 0.867 0.20 0.00 C ATOM 166 C BGLY A 10 -14.647 6.508 0.745 0.80 0.00 C ATOM 167 O AGLY A 10 -13.630 6.747 0.756 0.20 0.00 O ATOM 168 O BGLY A 10 -13.922 7.427 0.368 0.80 0.00 O ATOM 0 H AGLY A 10 -16.501 4.553 0.099 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.302 5.579 -0.147 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.171 7.188 0.730 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.459 7.628 0.543 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.012 6.384 2.279 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.174 7.007 2.157 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.232 4.580 0.704 0.20 0.00 N ATOM 176 N BTRP A 11 -14.221 5.254 0.869 0.80 0.00 N ATOM 177 CA ATRP A 11 -12.892 4.103 0.380 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.845 4.881 0.563 0.80 0.00 C ATOM 179 C ATRP A 11 -12.795 3.711 -1.090 0.20 0.00 C ATOM 180 C BTRP A 11 -12.684 4.568 -0.922 0.80 0.00 C ATOM 181 O ATRP A 11 -13.572 2.890 -1.575 0.20 0.00 O ATOM 182 O BTRP A 11 -13.595 4.037 -1.555 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.527 2.910 1.263 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.424 3.674 1.400 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.074 3.304 2.637 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.442 3.938 2.874 0.80 0.00 C ATOM 187 CD1ATRP A 11 -12.694 3.015 3.820 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.526 3.889 3.704 0.80 0.00 C ATOM 189 CD2ATRP A 11 -10.904 4.057 2.970 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.324 4.294 3.695 0.80 0.00 C ATOM 191 NE1ATRP A 11 -11.980 3.546 4.866 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.150 4.193 4.989 0.80 0.00 N ATOM 193 CE2ATRP A 11 -10.878 4.190 4.372 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.805 4.445 5.011 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.875 4.634 2.218 0.20 0.00 C ATOM 196 CE3BTRP A 11 -9.964 4.499 3.447 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -9.863 4.875 5.035 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -10.970 4.792 6.072 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.869 5.313 2.880 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.140 4.845 4.500 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.869 5.429 4.277 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.645 4.986 5.800 0.80 0.00 C ATOM 0 H ATRP A 11 -14.933 3.844 0.791 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.809 4.480 1.179 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.189 4.914 0.568 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.202 5.726 0.809 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.392 2.252 1.348 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.089 2.839 1.180 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.737 2.337 0.778 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.420 3.369 1.105 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -13.610 2.452 3.918 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.532 3.647 3.395 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.231 3.472 5.852 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.772 4.226 5.796 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.867 4.551 1.141 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.564 4.389 2.450 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -9.861 4.966 6.111 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.357 4.904 7.074 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -8.069 5.762 2.311 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.088 5.010 4.319 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.069 5.966 4.764 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -8.974 5.253 6.603 0.80 0.00 H new ATOM 223 N AGLU A 12 -11.837 4.306 -1.794 0.20 0.00 N ATOM 224 N BGLU A 12 -11.518 4.901 -1.468 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.639 4.018 -3.209 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.240 4.654 -2.878 0.80 0.00 C ATOM 227 C AGLU A 12 -10.251 3.436 -3.458 0.20 0.00 C ATOM 228 C BGLU A 12 -9.851 4.048 -3.061 0.80 0.00 C ATOM 229 O AGLU A 12 -9.337 3.615 -2.655 0.20 0.00 O ATOM 230 O BGLU A 12 -8.891 4.459 -2.408 0.80 0.00 O ATOM 231 CB AGLU A 12 -11.828 5.288 -4.042 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.349 5.954 -3.678 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.654 6.249 -3.961 0.20 0.00 C ATOM 234 CG BGLU A 12 -11.201 5.762 -5.177 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.016 6.508 -5.311 0.20 0.00 C ATOM 236 CD BGLU A 12 -11.845 4.479 -5.667 0.80 0.00 C ATOM 237 OE1AGLU A 12 -9.659 7.673 -5.585 0.20 0.00 O ATOM 238 OE1BGLU A 12 -13.047 4.280 -5.396 0.80 0.00 O ATOM 239 OE2AGLU A 12 -9.874 5.547 -6.094 0.20 0.00 O ATOM 240 OE2BGLU A 12 -11.147 3.675 -6.320 0.80 0.00 O ATOM 0 H AGLU A 12 -11.186 4.990 -1.407 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.753 5.341 -0.957 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.382 3.280 -3.510 0.20 0.00 H new ATOM 0 HA BGLU A 12 -11.980 3.944 -3.248 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -11.987 5.009 -5.084 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -12.315 6.416 -3.473 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.730 5.801 -3.708 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.583 6.648 -3.332 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -10.992 7.194 -3.536 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -11.650 6.610 -5.694 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -9.904 5.844 -3.281 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -10.142 5.755 -5.436 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.101 2.736 -4.578 0.20 0.00 N ATOM 254 N BLYS A 13 -9.753 3.066 -3.952 0.80 0.00 N ATOM 255 CA ALYS A 13 -8.826 2.129 -4.937 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.483 2.403 -4.222 0.80 0.00 C ATOM 257 C ALYS A 13 -7.955 3.107 -5.719 0.20 0.00 C ATOM 258 C BLYS A 13 -7.657 3.196 -5.228 0.80 0.00 C ATOM 259 O ALYS A 13 -8.339 3.572 -6.792 0.20 0.00 O ATOM 260 O BLYS A 13 -8.133 3.522 -6.316 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.056 0.861 -5.763 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.728 0.987 -4.752 0.80 0.00 C ATOM 263 CG ALYS A 13 -7.963 -0.181 -5.598 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.457 0.261 -5.154 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.446 -1.565 -5.999 0.20 0.00 C ATOM 266 CD BLYS A 13 -7.763 -1.038 -5.882 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.744 -2.653 -5.203 0.20 0.00 C ATOM 268 CE BLYS A 13 -7.926 -2.196 -4.910 0.80 0.00 C ATOM 269 NZ ALYS A 13 -8.219 -2.703 -3.792 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.649 -2.938 -4.713 0.80 0.00 N ATOM 0 H ALYS A 13 -10.849 2.575 -5.253 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.538 2.712 -4.499 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.306 1.867 -4.015 0.20 0.00 H new ATOM 0 HA BLYS A 13 -7.926 2.345 -3.287 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.012 0.421 -5.478 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.242 0.405 -3.987 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.131 1.132 -6.816 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.394 1.040 -5.613 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.101 0.095 -6.206 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -6.856 0.906 -5.795 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.629 -0.198 -4.561 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -6.861 0.050 -4.266 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.522 -1.635 -5.842 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.675 -0.922 -6.468 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.268 -1.719 -7.063 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -6.959 -1.261 -6.584 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -7.916 -3.619 -5.678 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.278 -1.818 -3.950 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -6.668 -2.477 -5.218 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.689 -2.879 -5.283 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -7.932 -3.605 -3.361 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -6.842 -3.960 -4.686 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -7.801 -1.915 -3.257 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.001 -2.728 -5.499 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -9.256 -2.624 -3.772 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.212 -2.644 -3.816 0.80 0.00 H new ATOM 297 N AARG A 14 -6.782 3.414 -5.175 0.20 0.00 N ATOM 298 N BARG A 14 -6.419 3.504 -4.859 0.80 0.00 N ATOM 299 CA AARG A 14 -5.858 4.336 -5.823 0.20 0.00 C ATOM 300 CA BARG A 14 -5.527 4.260 -5.729 0.80 0.00 C ATOM 301 C AARG A 14 -4.464 3.726 -5.926 0.20 0.00 C ATOM 302 C BARG A 14 -4.208 3.519 -5.931 0.80 0.00 C ATOM 303 O AARG A 14 -4.086 2.875 -5.121 0.20 0.00 O ATOM 304 O BARG A 14 -3.903 2.569 -5.213 0.80 0.00 O ATOM 305 CB AARG A 14 -5.793 5.654 -5.048 0.20 0.00 C ATOM 306 CB BARG A 14 -5.260 5.646 -5.140 0.80 0.00 C ATOM 307 CG AARG A 14 -6.516 6.801 -5.737 0.20 0.00 C ATOM 308 CG BARG A 14 -6.524 6.411 -4.783 0.80 0.00 C ATOM 309 CD AARG A 14 -5.863 8.138 -5.424 0.20 0.00 C ATOM 310 CD BARG A 14 -7.101 7.129 -5.994 0.80 0.00 C ATOM 311 NE AARG A 14 -5.728 8.973 -6.615 0.20 0.00 N ATOM 312 NE BARG A 14 -6.201 8.165 -6.495 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.574 10.291 -6.576 0.20 0.00 C ATOM 314 CZ BARG A 14 -6.125 9.386 -5.976 0.80 0.00 C ATOM 315 NH1AARG A 14 -5.538 10.922 -5.410 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.887 9.722 -4.946 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.458 10.981 -7.704 0.20 0.00 N ATOM 318 NH2BARG A 14 -5.282 10.273 -6.488 0.80 0.00 N ATOM 0 H AARG A 14 -6.449 3.038 -4.287 0.20 0.00 H new ATOM 0 H BARG A 14 -6.010 3.241 -3.962 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.226 4.531 -6.830 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.014 4.372 -6.698 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.225 5.506 -4.058 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.646 5.539 -4.246 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.748 5.929 -4.902 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.682 6.230 -5.856 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.516 6.638 -6.815 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.266 5.722 -4.379 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.558 6.820 -5.418 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.303 7.136 -4.000 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.456 8.665 -4.677 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.297 6.405 -6.785 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.879 7.968 -4.987 0.20 0.00 H new ATOM 0 HD3BARG A 14 -8.058 7.578 -5.728 0.80 0.00 H new ATOM 0 HE AARG A 14 -5.753 8.518 -7.528 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.598 7.939 -7.286 0.80 0.00 H new ATOM 0 HH11AARG A 14 -5.629 10.395 -4.542 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.535 9.042 -4.548 0.80 0.00 H new ATOM 0 HH12AARG A 14 -5.420 11.935 -5.382 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.825 10.660 -4.551 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.487 10.499 -8.602 0.20 0.00 H new ATOM 0 HH21BARG A 14 -4.692 10.018 -7.280 0.80 0.00 H new ATOM 0 HH22AARG A 14 -5.340 11.994 -7.673 0.20 0.00 H new ATOM 0 HH22BARG A 14 -5.224 11.210 -6.090 0.80 0.00 H new ATOM 345 N AMET A 15 -3.703 4.167 -6.922 0.20 0.00 N ATOM 346 N BMET A 15 -3.432 3.962 -6.915 0.80 0.00 N ATOM 347 CA AMET A 15 -2.349 3.665 -7.130 0.20 0.00 C ATOM 348 CA BMET A 15 -2.146 3.341 -7.212 0.80 0.00 C ATOM 349 C AMET A 15 -1.337 4.804 -7.107 0.20 0.00 C ATOM 350 C BMET A 15 -1.089 4.399 -7.518 0.80 0.00 C ATOM 351 O AMET A 15 -1.649 5.933 -7.487 0.20 0.00 O ATOM 352 O BMET A 15 -1.314 5.297 -8.330 0.80 0.00 O ATOM 353 CB AMET A 15 -2.259 2.914 -8.461 0.20 0.00 C ATOM 354 CB BMET A 15 -2.281 2.380 -8.394 0.80 0.00 C ATOM 355 CG AMET A 15 -1.291 1.743 -8.433 0.20 0.00 C ATOM 356 CG BMET A 15 -0.949 1.857 -8.907 0.80 0.00 C ATOM 357 SD AMET A 15 -0.581 1.392 -10.053 0.20 0.00 S ATOM 358 SD BMET A 15 -0.900 0.058 -9.004 0.80 0.00 S ATOM 359 CE AMET A 15 0.007 -0.283 -9.809 0.20 0.00 C ATOM 360 CE BMET A 15 0.640 -0.192 -9.886 0.80 0.00 C ATOM 0 H AMET A 15 -4.000 4.871 -7.598 0.20 0.00 H new ATOM 0 H BMET A 15 -3.671 4.748 -7.520 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.115 2.978 -6.317 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.829 2.781 -6.332 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.250 2.549 -8.731 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.903 1.536 -8.096 0.80 0.00 H new ATOM 0 HB3AMET A 15 -1.952 3.610 -9.242 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.800 2.888 -9.207 0.80 0.00 H new ATOM 0 HG2AMET A 15 -0.488 1.957 -7.727 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.755 2.276 -9.895 0.80 0.00 H new ATOM 0 HG3AMET A 15 -1.809 0.856 -8.068 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.150 2.203 -8.251 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.474 -0.642 -10.726 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.474 -0.870 -10.723 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.738 -0.298 -9.000 0.20 0.00 H new ATOM 0 HE2BMET A 15 1.004 0.765 -10.261 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.832 -0.929 -9.552 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.380 -0.623 -9.211 0.80 0.00 H new ATOM 379 N ASER A 16 -0.122 4.503 -6.657 0.20 0.00 N ATOM 380 N BSER A 16 0.061 4.285 -6.864 0.80 0.00 N ATOM 381 CA ASER A 16 0.935 5.504 -6.579 0.20 0.00 C ATOM 382 CA BSER A 16 1.150 5.235 -7.063 0.80 0.00 C ATOM 383 C ASER A 16 1.684 5.607 -7.905 0.20 0.00 C ATOM 384 C BSER A 16 1.638 5.205 -8.508 0.80 0.00 C ATOM 385 O ASER A 16 1.844 4.617 -8.618 0.20 0.00 O ATOM 386 O BSER A 16 1.367 4.259 -9.247 0.80 0.00 O ATOM 387 CB ASER A 16 1.914 5.159 -5.454 0.20 0.00 C ATOM 388 CB BSER A 16 2.308 4.919 -6.113 0.80 0.00 C ATOM 389 OG ASER A 16 2.608 6.310 -5.013 0.20 0.00 O ATOM 390 OG BSER A 16 2.433 5.913 -5.111 0.80 0.00 O ATOM 0 H ASER A 16 0.154 3.573 -6.341 0.20 0.00 H new ATOM 0 H BSER A 16 0.264 3.545 -6.192 0.80 0.00 H new ATOM 0 HA ASER A 16 0.473 6.468 -6.365 0.20 0.00 H new ATOM 0 HA BSER A 16 0.774 6.235 -6.846 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.372 4.715 -4.619 0.20 0.00 H new ATOM 0 HB2BSER A 16 2.145 3.947 -5.647 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.627 4.412 -5.804 0.20 0.00 H new ATOM 0 HB3BSER A 16 3.237 4.850 -6.678 0.80 0.00 H new ATOM 0 HG ASER A 16 3.226 6.064 -4.293 0.20 0.00 H new ATOM 0 HG BSER A 16 3.179 5.686 -4.517 0.80 0.00 H new ATOM 401 N AARG A 17 2.138 6.813 -8.229 0.20 0.00 N ATOM 402 N BARG A 17 2.361 6.248 -8.903 0.80 0.00 N ATOM 403 CA AARG A 17 2.869 7.048 -9.467 0.20 0.00 C ATOM 404 CA BARG A 17 2.888 6.344 -10.258 0.80 0.00 C ATOM 405 C AARG A 17 4.370 7.110 -9.211 0.20 0.00 C ATOM 406 C BARG A 17 4.405 6.179 -10.266 0.80 0.00 C ATOM 407 O AARG A 17 5.095 7.843 -9.882 0.20 0.00 O ATOM 408 O BARG A 17 4.978 5.671 -11.228 0.80 0.00 O ATOM 409 CB AARG A 17 2.398 8.349 -10.124 0.20 0.00 C ATOM 410 CB BARG A 17 2.505 7.686 -10.883 0.80 0.00 C ATOM 411 CG AARG A 17 0.891 8.428 -10.307 0.20 0.00 C ATOM 412 CG BARG A 17 1.021 8.004 -10.785 0.80 0.00 C ATOM 413 CD AARG A 17 0.332 9.729 -9.756 0.20 0.00 C ATOM 414 CD BARG A 17 0.783 9.353 -10.126 0.80 0.00 C ATOM 415 NE AARG A 17 0.682 9.924 -8.353 0.20 0.00 N ATOM 416 NE BARG A 17 1.435 9.448 -8.823 0.80 0.00 N ATOM 417 CZ AARG A 17 0.674 11.109 -7.751 0.20 0.00 C ATOM 418 CZ BARG A 17 1.113 10.351 -7.903 0.80 0.00 C ATOM 419 NH1AARG A 17 0.333 12.197 -8.427 0.20 0.00 N ATOM 420 NH1BARG A 17 0.150 11.230 -8.142 0.80 0.00 N ATOM 421 NH2AARG A 17 1.006 11.207 -6.469 0.20 0.00 N ATOM 422 NH2BARG A 17 1.753 10.373 -6.740 0.80 0.00 N ATOM 0 H AARG A 17 2.012 7.643 -7.650 0.20 0.00 H new ATOM 0 H BARG A 17 2.595 7.039 -8.303 0.80 0.00 H new ATOM 0 HA AARG A 17 2.668 6.215 -10.140 0.20 0.00 H new ATOM 0 HA BARG A 17 2.451 5.539 -10.849 0.80 0.00 H new ATOM 0 HB2AARG A 17 2.726 9.192 -9.517 0.20 0.00 H new ATOM 0 HB2BARG A 17 3.071 8.479 -10.394 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.879 8.450 -11.097 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.799 7.685 -11.933 0.80 0.00 H new ATOM 0 HG2AARG A 17 0.647 8.345 -11.366 0.20 0.00 H new ATOM 0 HG2BARG A 17 0.581 8.002 -11.782 0.80 0.00 H new ATOM 0 HG3AARG A 17 0.417 7.585 -9.804 0.20 0.00 H new ATOM 0 HG3BARG A 17 0.518 7.225 -10.213 0.80 0.00 H new ATOM 0 HD2AARG A 17 0.712 10.565 -10.344 0.20 0.00 H new ATOM 0 HD2BARG A 17 1.155 10.145 -10.776 0.80 0.00 H new ATOM 0 HD3AARG A 17 -0.753 9.731 -9.863 0.20 0.00 H new ATOM 0 HD3BARG A 17 -0.288 9.515 -10.008 0.80 0.00 H new ATOM 0 HE AARG A 17 0.947 9.106 -7.804 0.20 0.00 H new ATOM 0 HE BARG A 17 2.179 8.784 -8.607 0.80 0.00 H new ATOM 0 HH11AARG A 17 0.076 12.126 -9.412 0.20 0.00 H new ATOM 0 HH11BARG A 17 -0.345 11.214 -9.033 0.80 0.00 H new ATOM 0 HH12AARG A 17 0.328 13.105 -7.963 0.20 0.00 H new ATOM 0 HH12BARG A 17 -0.096 11.922 -7.434 0.80 0.00 H new ATOM 0 HH21AARG A 17 1.268 10.372 -5.945 0.20 0.00 H new ATOM 0 HH21BARG A 17 2.493 9.696 -6.552 0.80 0.00 H new ATOM 0 HH22AARG A 17 0.999 12.117 -6.009 0.20 0.00 H new ATOM 0 HH22BARG A 17 1.505 11.067 -6.034 0.80 0.00 H new ATOM 449 N AASN A 18 4.830 6.335 -8.234 0.20 0.00 N ATOM 450 N BASN A 18 5.046 6.617 -9.188 0.80 0.00 N ATOM 451 CA AASN A 18 6.247 6.303 -7.887 0.20 0.00 C ATOM 452 CA BASN A 18 6.498 6.520 -9.072 0.80 0.00 C ATOM 453 C AASN A 18 6.753 4.866 -7.799 0.20 0.00 C ATOM 454 C BASN A 18 6.913 5.128 -8.605 0.80 0.00 C ATOM 455 O AASN A 18 7.478 4.398 -8.678 0.20 0.00 O ATOM 456 O BASN A 18 7.783 4.496 -9.205 0.80 0.00 O ATOM 457 CB AASN A 18 6.485 7.020 -6.556 0.20 0.00 C ATOM 458 CB BASN A 18 7.023 7.575 -8.096 0.80 0.00 C ATOM 459 CG AASN A 18 7.273 8.304 -6.725 0.20 0.00 C ATOM 460 CG BASN A 18 6.596 8.979 -8.478 0.80 0.00 C ATOM 461 OD1AASN A 18 6.807 9.385 -6.363 0.20 0.00 O ATOM 462 OD1BASN A 18 5.961 9.187 -9.513 0.80 0.00 O ATOM 463 ND2AASN A 18 8.475 8.191 -7.278 0.20 0.00 N ATOM 464 ND2BASN A 18 6.943 9.950 -7.642 0.80 0.00 N ATOM 0 H AASN A 18 4.243 5.721 -7.669 0.20 0.00 H new ATOM 0 H BASN A 18 4.585 7.042 -8.383 0.80 0.00 H new ATOM 0 HA AASN A 18 6.799 6.818 -8.673 0.20 0.00 H new ATOM 0 HA BASN A 18 6.930 6.698 -10.057 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.525 7.244 -6.090 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.663 7.349 -7.092 0.80 0.00 H new ATOM 0 HB3AASN A 18 7.020 6.355 -5.878 0.20 0.00 H new ATOM 0 HB3BASN A 18 8.111 7.526 -8.063 0.80 0.00 H new ATOM 0 HD21AASN A 18 9.052 9.020 -7.418 0.20 0.00 H new ATOM 0 HD21BASN A 18 6.683 10.915 -7.846 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.821 7.275 -7.563 0.20 0.00 H new ATOM 0 HD22BASN A 18 7.469 9.731 -6.796 0.80 0.00 H new ATOM 477 N ASER A 19 6.364 4.171 -6.736 0.20 0.00 N ATOM 478 N BSER A 19 6.289 4.657 -7.532 0.80 0.00 N ATOM 479 CA ASER A 19 6.782 2.789 -6.531 0.20 0.00 C ATOM 480 CA BSER A 19 6.595 3.341 -6.984 0.80 0.00 C ATOM 481 C ASER A 19 5.590 1.842 -6.635 0.20 0.00 C ATOM 482 C BSER A 19 5.653 2.283 -7.550 0.80 0.00 C ATOM 483 O ASER A 19 5.522 0.832 -5.936 0.20 0.00 O ATOM 484 O BSER A 19 6.078 1.378 -8.269 0.80 0.00 O ATOM 485 CB ASER A 19 7.453 2.633 -5.165 0.20 0.00 C ATOM 486 CB BSER A 19 6.495 3.365 -5.456 0.80 0.00 C ATOM 487 OG ASER A 19 6.519 2.810 -4.115 0.20 0.00 O ATOM 488 OG BSER A 19 5.216 3.810 -5.037 0.80 0.00 O ATOM 0 H ASER A 19 5.760 4.542 -6.003 0.20 0.00 H new ATOM 0 H BSER A 19 5.567 5.167 -7.023 0.80 0.00 H new ATOM 0 HA ASER A 19 7.499 2.532 -7.311 0.20 0.00 H new ATOM 0 HA BSER A 19 7.615 3.084 -7.271 0.80 0.00 H new ATOM 0 HB2ASER A 19 7.906 1.645 -5.090 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.684 2.367 -5.060 0.80 0.00 H new ATOM 0 HB3ASER A 19 8.258 3.361 -5.066 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.264 4.021 -5.048 0.80 0.00 H new ATOM 0 HG ASER A 19 6.972 2.704 -3.253 0.20 0.00 H new ATOM 0 HG BSER A 19 5.176 3.815 -4.058 0.80 0.00 H new ATOM 499 N AGLY A 20 4.652 2.174 -7.519 0.20 0.00 N ATOM 500 N BGLY A 20 4.370 2.404 -7.220 0.80 0.00 N ATOM 501 CA AGLY A 20 3.477 1.346 -7.700 0.20 0.00 C ATOM 502 CA BGLY A 20 3.388 1.451 -7.702 0.80 0.00 C ATOM 503 C AGLY A 20 2.626 1.261 -6.447 0.20 0.00 C ATOM 504 C BGLY A 20 2.707 0.700 -6.575 0.80 0.00 C ATOM 505 O AGLY A 20 1.998 2.242 -6.048 0.20 0.00 O ATOM 506 O BGLY A 20 2.159 -0.383 -6.785 0.80 0.00 O ATOM 0 H AGLY A 20 4.687 3.003 -8.112 0.20 0.00 H new ATOM 0 H BGLY A 20 3.994 3.145 -6.628 0.80 0.00 H new ATOM 0 HA2AGLY A 20 2.876 1.747 -8.516 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.636 1.976 -8.291 0.80 0.00 H new ATOM 0 HA3AGLY A 20 3.786 0.343 -7.994 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.874 0.738 -8.368 0.80 0.00 H new ATOM 513 N AARG A 21 2.605 0.086 -5.826 0.20 0.00 N ATOM 514 N BARG A 21 2.739 1.275 -5.378 0.80 0.00 N ATOM 515 CA AARG A 21 1.823 -0.123 -4.612 0.20 0.00 C ATOM 516 CA BARG A 21 2.122 0.652 -4.215 0.80 0.00 C ATOM 517 C AARG A 21 0.357 0.235 -4.843 0.20 0.00 C ATOM 518 C BARG A 21 0.643 1.012 -4.125 0.80 0.00 C ATOM 519 O AARG A 21 -0.035 0.611 -5.947 0.20 0.00 O ATOM 520 O BARG A 21 0.277 2.187 -4.131 0.80 0.00 O ATOM 521 CB AARG A 21 2.389 0.716 -3.466 0.20 0.00 C ATOM 522 CB BARG A 21 2.841 1.085 -2.935 0.80 0.00 C ATOM 523 CG AARG A 21 3.864 0.459 -3.194 0.20 0.00 C ATOM 524 CG BARG A 21 3.789 0.033 -2.385 0.80 0.00 C ATOM 525 CD AARG A 21 4.056 -0.541 -2.066 0.20 0.00 C ATOM 526 CD BARG A 21 5.010 0.669 -1.736 0.80 0.00 C ATOM 527 NE AARG A 21 3.548 -0.036 -0.794 0.20 0.00 N ATOM 528 NE BARG A 21 4.642 1.691 -0.761 0.80 0.00 N ATOM 529 CZ AARG A 21 4.208 0.826 -0.028 0.20 0.00 C ATOM 530 CZ BARG A 21 4.089 1.421 0.415 0.80 0.00 C ATOM 531 NH1AARG A 21 5.397 1.275 -0.403 0.20 0.00 N ATOM 532 NH1BARG A 21 3.842 0.165 0.763 0.80 0.00 N ATOM 533 NH2AARG A 21 3.680 1.239 1.117 0.20 0.00 N ATOM 534 NH2BARG A 21 3.782 2.408 1.247 0.80 0.00 N ATOM 0 H AARG A 21 3.120 -0.735 -6.143 0.20 0.00 H new ATOM 0 H BARG A 21 3.186 2.172 -5.188 0.80 0.00 H new ATOM 0 HA AARG A 21 1.885 -1.178 -4.346 0.20 0.00 H new ATOM 0 HA BARG A 21 2.209 -0.429 -4.325 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.249 1.772 -3.696 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.401 1.999 -3.134 0.80 0.00 H new ATOM 0 HB3AARG A 21 1.820 0.509 -2.560 0.20 0.00 H new ATOM 0 HB3BARG A 21 2.098 1.326 -2.175 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.342 0.084 -4.099 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.266 -0.583 -1.654 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.357 1.397 -2.938 0.20 0.00 H new ATOM 0 HG3BARG A 21 4.107 -0.629 -3.190 0.80 0.00 H new ATOM 0 HD2AARG A 21 3.546 -1.472 -2.316 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.603 -0.103 -1.246 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.116 -0.775 -1.966 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.640 1.113 -2.507 0.80 0.00 H new ATOM 0 HE AARG A 21 2.636 -0.363 -0.476 0.20 0.00 H new ATOM 0 HE BARG A 21 4.820 2.667 -0.997 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.808 0.959 -1.282 0.20 0.00 H new ATOM 0 HH11BARG A 21 4.077 -0.596 0.126 0.80 0.00 H new ATOM 0 HH12AARG A 21 5.902 1.937 0.187 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.417 -0.039 1.667 0.80 0.00 H new ATOM 0 HH21AARG A 21 2.766 0.895 1.411 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.971 3.375 0.983 0.80 0.00 H new ATOM 0 HH22AARG A 21 4.188 1.901 1.704 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.357 2.200 2.151 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.447 0.112 -3.791 0.20 0.00 N ATOM 562 N BVAL A 22 -0.207 -0.009 -4.044 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.869 0.422 -3.878 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.646 0.201 -3.954 0.80 0.00 C ATOM 565 C AVAL A 22 -2.432 0.803 -2.513 0.20 0.00 C ATOM 566 C BVAL A 22 -2.058 0.590 -2.537 0.80 0.00 C ATOM 567 O AVAL A 22 -2.982 -0.038 -1.800 0.20 0.00 O ATOM 568 O BVAL A 22 -1.543 0.047 -1.558 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.670 -0.769 -4.437 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.425 -1.059 -4.374 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.544 -0.833 -5.952 0.20 0.00 C ATOM 572 CG1BVAL A 22 -3.918 -0.856 -4.174 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.206 -2.069 -3.800 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.115 -1.420 -5.818 0.80 0.00 C ATOM 0 H AVAL A 22 -0.138 -0.200 -2.870 0.20 0.00 H new ATOM 0 H BVAL A 22 0.078 -0.988 -4.039 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.968 1.268 -4.558 0.20 0.00 H new ATOM 0 HA BVAL A 22 -1.890 1.015 -4.637 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.722 -0.625 -4.189 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.109 -1.888 -3.741 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.116 -1.681 -6.329 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.451 -1.757 -4.476 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.930 0.088 -6.388 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.120 -0.650 -3.123 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.496 -0.953 -6.225 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.255 -0.015 -4.779 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.783 -2.900 -4.207 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -2.674 -2.313 -6.098 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.148 -2.222 -4.015 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.401 -0.594 -6.469 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.354 -2.019 -2.721 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.047 -1.612 -5.924 0.80 0.00 H new ATOM 593 N ATYR A 23 -2.292 2.074 -2.157 0.20 0.00 N ATOM 594 N BTYR A 23 -2.988 1.532 -2.436 0.80 0.00 N ATOM 595 CA ATYR A 23 -2.785 2.567 -0.876 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.468 1.995 -1.138 0.80 0.00 C ATOM 597 C ATYR A 23 -4.268 2.918 -0.961 0.20 0.00 C ATOM 598 C BTYR A 23 -4.918 2.458 -1.228 0.80 0.00 C ATOM 599 O ATYR A 23 -4.846 2.956 -2.046 0.20 0.00 O ATOM 600 O BTYR A 23 -5.539 2.390 -2.288 0.80 0.00 O ATOM 601 CB ATYR A 23 -1.985 3.793 -0.435 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.587 3.137 -0.625 0.80 0.00 C ATOM 603 CG ATYR A 23 -1.979 4.911 -1.454 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.568 4.345 -1.534 0.80 0.00 C ATOM 605 CD1ATYR A 23 -0.860 5.153 -2.243 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.673 4.425 -2.594 0.80 0.00 C ATOM 607 CD2ATYR A 23 -3.091 5.726 -1.629 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.443 5.403 -1.332 0.80 0.00 C ATOM 609 CE1ATYR A 23 -0.849 6.173 -3.175 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.652 5.527 -3.427 0.80 0.00 C ATOM 611 CE2ATYR A 23 -3.089 6.748 -2.558 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.430 6.508 -2.161 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.966 6.966 -3.328 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.532 6.566 -3.207 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.960 7.984 -4.255 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.514 7.665 -4.035 0.80 0.00 O ATOM 0 H ATYR A 23 -1.841 2.782 -2.737 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.425 1.990 -3.236 0.80 0.00 H new ATOM 0 HA ATYR A 23 -2.659 1.774 -0.138 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.415 1.160 -0.439 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -2.398 4.168 0.501 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.939 3.441 0.361 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -0.957 3.492 -0.232 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.568 2.770 -0.501 0.80 0.00 H new ATOM 0 HD1ATYR A 23 0.016 4.533 -2.125 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -0.983 3.613 -2.769 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -3.972 5.557 -1.028 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.146 5.362 -0.513 0.80 0.00 H new ATOM 0 HE1ATYR A 23 0.029 6.348 -3.779 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -0.950 5.575 -4.246 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -3.962 7.373 -2.681 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.119 7.322 -1.991 0.80 0.00 H new ATOM 0 HH ATYR A 23 -2.824 8.447 -4.238 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.197 8.305 -3.744 0.80 0.00 H new ATOM 635 N ATYR A 24 -4.876 3.173 0.193 0.20 0.00 N ATOM 636 N BTYR A 24 -5.452 2.929 -0.106 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.292 3.518 0.251 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.831 3.402 -0.055 0.80 0.00 C ATOM 639 C ATYR A 24 -6.477 5.017 0.468 0.20 0.00 C ATOM 640 C BTYR A 24 -6.904 4.802 0.546 0.80 0.00 C ATOM 641 O ATYR A 24 -5.670 5.665 1.134 0.20 0.00 O ATOM 642 O BTYR A 24 -6.262 5.092 1.554 0.80 0.00 O ATOM 643 CB ATYR A 24 -6.981 2.739 1.370 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.691 2.438 0.763 0.80 0.00 C ATOM 645 CG ATYR A 24 -6.930 1.239 1.187 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.413 0.980 0.474 0.80 0.00 C ATOM 647 CD1ATYR A 24 -7.876 0.581 0.413 0.20 0.00 C ATOM 648 CD1BTYR A 24 -7.933 0.364 -0.657 0.80 0.00 C ATOM 649 CD2ATYR A 24 -5.934 0.481 1.789 0.20 0.00 C ATOM 650 CD2BTYR A 24 -6.628 0.220 1.331 0.80 0.00 C ATOM 651 CE1ATYR A 24 -7.833 -0.789 0.243 0.20 0.00 C ATOM 652 CE1BTYR A 24 -7.680 -0.968 -0.926 0.80 0.00 C ATOM 653 CE2ATYR A 24 -5.880 -0.889 1.624 0.20 0.00 C ATOM 654 CE2BTYR A 24 -6.369 -1.111 1.070 0.80 0.00 C ATOM 655 CZ ATYR A 24 -6.831 -1.520 0.850 0.20 0.00 C ATOM 656 CZ BTYR A 24 -6.897 -1.701 -0.060 0.80 0.00 C ATOM 657 OH ATYR A 24 -6.784 -2.886 0.684 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.644 -3.028 -0.322 0.80 0.00 O ATOM 0 H ATYR A 24 -4.411 3.147 1.100 0.20 0.00 H new ATOM 0 H BTYR A 24 -4.951 2.993 0.780 0.80 0.00 H new ATOM 0 HA ATYR A 24 -6.747 3.249 -0.702 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.213 3.444 -1.075 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -6.514 2.996 2.321 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.524 2.627 1.823 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.023 3.053 1.431 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.742 2.645 0.564 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -8.660 1.150 -0.065 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -8.546 0.936 -1.338 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -5.188 0.972 2.397 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -6.213 0.678 2.217 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -8.578 -1.285 -0.361 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -8.093 -1.432 -1.809 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -5.098 -1.463 2.098 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -5.756 -1.687 1.747 0.80 0.00 H new ATOM 0 HH ATYR A 24 -5.907 -3.220 0.966 0.20 0.00 H new ATOM 0 HH BTYR A 24 -6.075 -3.398 0.385 0.80 0.00 H new ATOM 677 N APHE A 25 -7.548 5.560 -0.100 0.20 0.00 N ATOM 678 N BPHE A 25 -7.694 5.667 -0.084 0.80 0.00 N ATOM 679 CA APHE A 25 -7.842 6.984 0.029 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.852 7.038 0.387 0.80 0.00 C ATOM 681 C APHE A 25 -9.294 7.203 0.448 0.20 0.00 C ATOM 682 C BPHE A 25 -9.328 7.406 0.502 0.80 0.00 C ATOM 683 O APHE A 25 -10.216 6.671 -0.169 0.20 0.00 O ATOM 684 O BPHE A 25 -10.149 6.986 -0.312 0.80 0.00 O ATOM 685 CB APHE A 25 -7.567 7.706 -1.290 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.147 8.010 -0.562 0.80 0.00 C ATOM 687 CG APHE A 25 -7.390 9.189 -1.137 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.485 9.450 -0.303 0.80 0.00 C ATOM 689 CD1APHE A 25 -6.428 9.700 -0.280 0.20 0.00 C ATOM 690 CD1BPHE A 25 -6.759 10.193 0.615 0.80 0.00 C ATOM 691 CD2APHE A 25 -8.184 10.073 -1.848 0.20 0.00 C ATOM 692 CD2BPHE A 25 -8.527 10.062 -0.979 0.80 0.00 C ATOM 693 CE1APHE A 25 -6.261 11.066 -0.136 0.20 0.00 C ATOM 694 CE1BPHE A 25 -7.066 11.519 0.855 0.80 0.00 C ATOM 695 CE2APHE A 25 -8.023 11.439 -1.709 0.20 0.00 C ATOM 696 CE2BPHE A 25 -8.840 11.389 -0.744 0.80 0.00 C ATOM 697 CZ APHE A 25 -7.062 11.935 -0.851 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.109 12.117 0.175 0.80 0.00 C ATOM 0 H APHE A 25 -8.227 5.037 -0.654 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.233 5.443 -0.920 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.192 7.395 0.802 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.398 7.111 1.375 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.669 7.286 -1.744 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.069 7.876 -0.472 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.391 7.516 -1.978 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.414 7.761 -1.589 0.80 0.00 H new ATOM 0 HD1APHE A 25 -5.801 9.024 0.282 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -5.943 9.730 1.150 0.80 0.00 H new ATOM 0 HD2APHE A 25 -8.938 9.691 -2.520 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -9.102 9.497 -1.698 0.80 0.00 H new ATOM 0 HE1APHE A 25 -5.506 11.452 0.534 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -6.492 12.086 1.573 0.80 0.00 H new ATOM 0 HE2APHE A 25 -8.648 12.117 -2.271 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -9.655 11.855 -1.278 0.80 0.00 H new ATOM 0 HZ APHE A 25 -6.937 13.002 -0.739 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.353 13.152 0.361 0.80 0.00 H new ATOM 717 N AASN A 26 -9.485 7.991 1.502 0.20 0.00 N ATOM 718 N BASN A 26 -9.659 8.193 1.522 0.80 0.00 N ATOM 719 CA AASN A 26 -10.825 8.279 2.005 0.20 0.00 C ATOM 720 CA BASN A 26 -11.037 8.616 1.746 0.80 0.00 C ATOM 721 C AASN A 26 -11.231 9.712 1.677 0.20 0.00 C ATOM 722 C BASN A 26 -11.232 10.071 1.331 0.80 0.00 C ATOM 723 O AASN A 26 -10.782 10.660 2.322 0.20 0.00 O ATOM 724 O BASN A 26 -10.496 10.957 1.766 0.80 0.00 O ATOM 725 CB AASN A 26 -10.881 8.055 3.518 0.20 0.00 C ATOM 726 CB BASN A 26 -11.412 8.439 3.218 0.80 0.00 C ATOM 727 CG AASN A 26 -12.187 8.536 4.124 0.20 0.00 C ATOM 728 CG BASN A 26 -12.914 8.398 3.430 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.461 9.736 4.162 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.667 9.098 2.751 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.997 7.600 4.603 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.356 7.578 4.375 0.80 0.00 N ATOM 0 H AASN A 26 -8.732 8.440 2.023 0.20 0.00 H new ATOM 0 H BASN A 26 -8.992 8.550 2.206 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.525 7.601 1.517 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.688 7.992 1.134 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.754 6.994 3.731 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.969 7.517 3.595 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.049 8.577 3.991 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.988 9.258 3.799 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.888 7.863 5.024 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.356 7.509 4.563 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.729 6.617 4.550 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.696 7.017 4.913 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.085 9.863 0.670 0.20 0.00 N ATOM 746 N BHIS A 27 -12.231 10.311 0.487 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.554 11.181 0.256 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.524 11.659 0.014 0.80 0.00 C ATOM 749 C AHIS A 27 -13.728 11.635 1.119 0.20 0.00 C ATOM 750 C BHIS A 27 -13.347 12.428 1.042 0.80 0.00 C ATOM 751 O AHIS A 27 -14.767 12.046 0.602 0.20 0.00 O ATOM 752 O BHIS A 27 -13.408 13.657 1.009 0.80 0.00 O ATOM 753 CB AHIS A 27 -12.966 11.160 -1.217 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.274 11.603 -1.317 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.129 10.258 -1.500 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.449 10.674 -1.304 0.80 0.00 C ATOM 757 ND1AHIS A 27 -14.774 10.223 -2.718 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.704 11.054 -0.877 0.80 0.00 N ATOM 759 CD2AHIS A 27 -14.759 9.352 -0.716 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.556 9.374 -1.672 0.80 0.00 C ATOM 761 CE1AHIS A 27 -15.752 9.336 -2.671 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.531 10.029 -0.980 0.80 0.00 C ATOM 763 NE2AHIS A 27 -15.765 8.795 -1.465 0.20 0.00 N ATOM 764 NE2BHIS A 27 -15.858 8.998 -1.461 0.80 0.00 N ATOM 0 H AHIS A 27 -12.466 9.089 0.126 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.850 9.590 0.117 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.735 11.889 0.386 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.578 12.180 -0.132 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.218 12.173 -1.530 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.617 12.605 -1.574 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.115 10.842 -1.820 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.584 11.291 -2.101 0.80 0.00 H new ATOM 0 HD1AHIS A 27 -14.534 10.793 -3.529 0.20 0.00 H new ATOM 0 HD2AHIS A 27 -14.515 9.112 0.308 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.764 8.750 -2.059 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.426 9.094 -3.480 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.578 10.033 -0.716 0.80 0.00 H new ATOM 0 HE2BHIS A 27 -16.245 8.072 -1.645 0.80 0.00 H new ATOM 779 N AILE A 28 -13.556 11.555 2.433 0.20 0.00 N ATOM 780 N BILE A 28 -13.980 11.696 1.955 0.80 0.00 N ATOM 781 CA AILE A 28 -14.600 11.959 3.367 0.20 0.00 C ATOM 782 CA BILE A 28 -14.798 12.311 2.993 0.80 0.00 C ATOM 783 C AILE A 28 -14.016 12.725 4.549 0.20 0.00 C ATOM 784 C BILE A 28 -13.949 12.720 4.191 0.80 0.00 C ATOM 785 O AILE A 28 -14.571 13.734 4.986 0.20 0.00 O ATOM 786 O BILE A 28 -14.113 13.812 4.737 0.80 0.00 O ATOM 787 CB AILE A 28 -15.384 10.744 3.894 0.20 0.00 C ATOM 788 CB BILE A 28 -15.911 11.359 3.468 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.061 10.004 2.737 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.849 11.018 2.307 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.413 11.182 4.923 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.687 11.984 4.618 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.132 10.820 2.044 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.994 10.112 2.704 0.80 0.00 C ATOM 0 H AILE A 28 -12.703 11.214 2.876 0.20 0.00 H new ATOM 0 H BILE A 28 -13.941 10.678 1.996 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.280 12.610 2.817 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.253 13.199 2.553 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.684 10.062 4.377 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.453 10.436 3.824 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.304 9.717 2.007 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.253 11.942 1.893 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.504 9.083 3.115 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.274 10.539 1.514 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.959 10.311 5.286 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.470 11.299 4.943 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.908 11.668 5.758 0.20 0.00 H new ATOM 0 HG22BILE A 28 -16.010 12.181 5.449 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.111 11.882 4.464 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.137 12.920 4.287 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.569 10.235 1.235 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.618 9.912 1.833 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.909 11.085 2.761 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.598 9.173 3.090 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.690 11.729 1.636 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.592 10.598 3.475 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.890 12.239 5.063 0.20 0.00 N ATOM 818 N BTHR A 29 -13.040 11.839 4.595 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.229 12.879 6.193 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.165 12.109 5.728 0.80 0.00 C ATOM 821 C ATHR A 29 -10.755 13.138 5.894 0.20 0.00 C ATOM 822 C BTHR A 29 -10.842 12.715 5.271 0.80 0.00 C ATOM 823 O ATHR A 29 -9.923 13.150 6.799 0.20 0.00 O ATOM 824 O BTHR A 29 -10.140 13.353 6.051 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.337 12.018 7.467 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.878 10.827 6.533 0.80 0.00 C ATOM 827 OG1ATHR A 29 -11.276 11.057 7.501 0.20 0.00 O ATOM 828 OG1BTHR A 29 -12.473 9.698 5.885 0.80 0.00 O ATOM 829 CG2ATHR A 29 -13.678 11.301 7.522 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.416 10.947 7.951 0.80 0.00 C ATOM 0 H ATHR A 29 -12.418 11.405 4.715 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.891 10.932 4.154 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.736 13.829 6.359 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.686 12.822 6.366 0.80 0.00 H new ATOM 0 HB ATHR A 29 -12.258 12.677 8.332 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.798 10.689 6.582 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -10.414 11.522 7.528 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -12.284 8.887 6.402 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -13.732 10.699 8.429 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.202 10.030 8.500 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -14.483 12.035 7.525 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -11.939 11.790 8.451 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.781 10.654 6.651 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.494 11.107 7.919 0.80 0.00 H new ATOM 845 N AASN A 30 -10.444 13.349 4.619 0.20 0.00 N ATOM 846 N BASN A 30 -10.514 12.510 4.000 0.80 0.00 N ATOM 847 CA AASN A 30 -9.071 13.610 4.202 0.20 0.00 C ATOM 848 CA BASN A 30 -9.274 13.037 3.438 0.80 0.00 C ATOM 849 C AASN A 30 -8.105 12.637 4.873 0.20 0.00 C ATOM 850 C BASN A 30 -8.059 12.411 4.116 0.80 0.00 C ATOM 851 O AASN A 30 -7.086 13.044 5.428 0.20 0.00 O ATOM 852 O BASN A 30 -7.255 13.104 4.736 0.80 0.00 O ATOM 853 CB AASN A 30 -8.678 15.050 4.539 0.20 0.00 C ATOM 854 CB BASN A 30 -9.228 14.558 3.589 0.80 0.00 C ATOM 855 CG AASN A 30 -9.159 16.040 3.496 0.20 0.00 C ATOM 856 CG BASN A 30 -8.295 15.211 2.586 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.161 16.728 3.691 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.734 15.945 1.700 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.447 16.114 2.378 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.001 14.946 2.724 0.80 0.00 N ATOM 0 H AASN A 30 -11.123 13.344 3.858 0.20 0.00 H new ATOM 0 H BASN A 30 -11.087 11.984 3.340 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.012 13.468 3.123 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.248 12.782 2.379 0.80 0.00 H new ATOM 0 HB2AASN A 30 -9.093 15.319 5.510 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.232 14.963 3.464 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.594 15.117 4.626 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.905 14.811 4.599 0.80 0.00 H new ATOM 0 HD21AASN A 30 -8.724 16.760 1.639 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.325 15.357 2.080 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.623 15.525 2.258 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.683 14.332 3.474 0.80 0.00 H new ATOM 873 N AALA A 31 -8.432 11.351 4.813 0.20 0.00 N ATOM 874 N BALA A 31 -7.933 11.093 3.991 0.80 0.00 N ATOM 875 CA AALA A 31 -7.593 10.321 5.412 0.20 0.00 C ATOM 876 CA BALA A 31 -6.815 10.373 4.588 0.80 0.00 C ATOM 877 C AALA A 31 -6.973 9.429 4.341 0.20 0.00 C ATOM 878 C BALA A 31 -6.526 9.082 3.831 0.80 0.00 C ATOM 879 O AALA A 31 -7.396 9.442 3.187 0.20 0.00 O ATOM 880 O BALA A 31 -7.415 8.507 3.205 0.80 0.00 O ATOM 881 CB AALA A 31 -8.402 9.485 6.393 0.20 0.00 C ATOM 882 CB BALA A 31 -7.102 10.075 6.053 0.80 0.00 C ATOM 0 H AALA A 31 -9.272 10.997 4.355 0.20 0.00 H new ATOM 0 H BALA A 31 -8.591 10.503 3.482 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.785 10.814 5.952 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.931 11.007 4.523 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.762 8.720 6.833 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.259 9.537 6.487 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.794 10.127 7.182 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.252 11.010 6.592 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.230 9.008 5.868 0.20 0.00 H new ATOM 0 HB3BALA A 31 -8.001 9.464 6.131 0.80 0.00 H new ATOM 893 N ASER A 32 -5.964 8.656 4.733 0.20 0.00 N ATOM 894 N BSER A 32 -5.275 8.633 3.891 0.80 0.00 N ATOM 895 CA ASER A 32 -5.282 7.762 3.806 0.20 0.00 C ATOM 896 CA BSER A 32 -4.867 7.411 3.205 0.80 0.00 C ATOM 897 C ASER A 32 -4.666 6.579 4.546 0.20 0.00 C ATOM 898 C BSER A 32 -4.202 6.442 4.177 0.80 0.00 C ATOM 899 O ASER A 32 -3.552 6.667 5.059 0.20 0.00 O ATOM 900 O BSER A 32 -3.497 6.854 5.097 0.80 0.00 O ATOM 901 CB ASER A 32 -4.194 8.520 3.039 0.20 0.00 C ATOM 902 CB BSER A 32 -3.910 7.740 2.059 0.80 0.00 C ATOM 903 OG ASER A 32 -4.173 8.139 1.675 0.20 0.00 O ATOM 904 OG BSER A 32 -3.484 9.090 2.122 0.80 0.00 O ATOM 0 H ASER A 32 -5.602 8.632 5.686 0.20 0.00 H new ATOM 0 H BSER A 32 -4.527 9.097 4.407 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.019 7.383 3.098 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.759 6.936 2.797 0.80 0.00 H new ATOM 0 HB2ASER A 32 -4.370 9.593 3.118 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.044 7.080 2.103 0.80 0.00 H new ATOM 0 HB3ASER A 32 -3.222 8.322 3.490 0.20 0.00 H new ATOM 0 HB3BSER A 32 -4.403 7.555 1.105 0.80 0.00 H new ATOM 0 HG ASER A 32 -4.671 7.303 1.561 0.20 0.00 H new ATOM 0 HG BSER A 32 -2.872 9.275 1.380 0.80 0.00 H new ATOM 915 N AGLN A 33 -5.401 5.472 4.595 0.20 0.00 N ATOM 916 N BGLN A 33 -4.431 5.151 3.962 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.928 4.271 5.274 0.20 0.00 C ATOM 918 CA BGLN A 33 -3.854 4.120 4.818 0.80 0.00 C ATOM 919 C AGLN A 33 -4.196 3.350 4.304 0.20 0.00 C ATOM 920 C BGLN A 33 -3.630 2.828 4.039 0.80 0.00 C ATOM 921 O AGLN A 33 -4.400 3.420 3.091 0.20 0.00 O ATOM 922 O BGLN A 33 -4.476 2.413 3.247 0.80 0.00 O ATOM 923 CB AGLN A 33 -6.101 3.526 5.915 0.20 0.00 C ATOM 924 CB BGLN A 33 -4.767 3.855 6.016 0.80 0.00 C ATOM 925 CG AGLN A 33 -5.674 2.374 6.810 0.20 0.00 C ATOM 926 CG BGLN A 33 -6.058 3.139 5.652 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.801 1.873 7.692 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.911 2.823 6.863 0.80 0.00 C ATOM 929 OE1AGLN A 33 -7.977 1.990 7.345 0.20 0.00 O ATOM 930 OE1BGLN A 33 -7.502 3.717 7.473 0.80 0.00 O ATOM 931 NE2AGLN A 33 -6.447 1.309 8.843 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.985 1.547 7.222 0.80 0.00 N ATOM 0 H AGLN A 33 -6.325 5.382 4.173 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.011 4.794 3.203 0.80 0.00 H new ATOM 0 HA AGLN A 33 -4.230 4.576 6.054 0.20 0.00 H new ATOM 0 HA BGLN A 33 -2.889 4.478 5.177 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -6.692 4.231 6.501 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -4.225 3.258 6.750 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -6.751 3.142 5.128 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -5.010 4.804 6.494 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -5.309 1.554 6.191 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -6.630 3.758 4.961 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -4.842 2.695 7.437 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -5.820 2.213 5.128 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -5.461 1.232 9.091 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.481 0.838 6.690 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -7.162 0.953 9.478 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.546 1.276 8.029 0.80 0.00 H new ATOM 949 N APHE A 34 -3.339 2.491 4.844 0.20 0.00 N ATOM 950 N BPHE A 34 -2.484 2.197 4.269 0.80 0.00 N ATOM 951 CA APHE A 34 -2.576 1.557 4.026 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.145 0.953 3.587 0.80 0.00 C ATOM 953 C APHE A 34 -3.206 0.167 4.052 0.20 0.00 C ATOM 954 C BPHE A 34 -2.926 -0.218 4.176 0.80 0.00 C ATOM 955 O APHE A 34 -3.175 -0.559 3.059 0.20 0.00 O ATOM 956 O BPHE A 34 -3.260 -1.170 3.472 0.80 0.00 O ATOM 957 CB APHE A 34 -1.128 1.480 4.518 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.644 0.682 3.690 0.80 0.00 C ATOM 959 CG APHE A 34 -0.150 2.179 3.617 0.20 0.00 C ATOM 960 CG BPHE A 34 0.205 1.888 3.401 0.80 0.00 C ATOM 961 CD1APHE A 34 0.712 3.140 4.118 0.20 0.00 C ATOM 962 CD1BPHE A 34 1.146 2.325 4.319 0.80 0.00 C ATOM 963 CD2APHE A 34 -0.095 1.874 2.266 0.20 0.00 C ATOM 964 CD2BPHE A 34 0.060 2.585 2.212 0.80 0.00 C ATOM 965 CE1APHE A 34 1.612 3.784 3.291 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.927 3.434 4.057 0.80 0.00 C ATOM 967 CE2APHE A 34 0.803 2.515 1.434 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.839 3.695 1.946 0.80 0.00 C ATOM 969 CZ APHE A 34 1.656 3.471 1.947 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.773 4.121 2.870 0.80 0.00 C ATOM 0 H APHE A 34 -3.155 2.422 5.845 0.20 0.00 H new ATOM 0 H BPHE A 34 -1.774 2.526 4.923 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.587 1.922 2.999 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.416 1.058 2.536 0.80 0.00 H new ATOM 0 HB2APHE A 34 -1.068 1.917 5.515 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.416 0.319 4.692 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.840 0.433 4.611 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.378 -0.114 2.995 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.680 3.389 5.168 0.20 0.00 H new ATOM 0 HD1BPHE A 34 1.270 1.793 5.250 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.761 1.127 1.859 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.669 2.257 1.486 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.280 4.531 3.695 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.658 3.763 4.781 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.837 2.268 0.383 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.717 4.229 1.015 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.357 3.974 1.298 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.381 4.989 2.664 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.776 -0.195 5.197 0.20 0.00 N ATOM 990 N BGLU A 35 -3.213 -0.139 5.471 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.415 -1.498 5.352 0.20 0.00 C ATOM 992 CA BGLU A 35 -3.954 -1.193 6.154 0.80 0.00 C ATOM 993 C AGLU A 35 -5.900 -1.421 5.013 0.20 0.00 C ATOM 994 C BGLU A 35 -5.375 -1.301 5.612 0.80 0.00 C ATOM 995 O AGLU A 35 -6.544 -0.393 5.226 0.20 0.00 O ATOM 996 O BGLU A 35 -6.050 -0.291 5.408 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.233 -2.011 6.782 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.990 -0.926 7.661 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.884 -1.129 7.834 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.727 -1.358 8.387 0.80 0.00 C ATOM 1001 CD AGLU A 35 -4.035 -0.985 9.083 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.643 -0.802 9.795 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -3.943 0.144 9.609 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -3.249 0.261 10.048 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -3.464 -2.000 9.532 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -1.971 -1.426 10.641 0.80 0.00 O ATOM 0 H AGLU A 35 -3.809 0.394 6.029 0.20 0.00 H new ATOM 0 H BGLU A 35 -2.944 0.643 6.068 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.939 -2.192 4.660 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.442 -2.138 5.970 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -4.650 -3.016 6.854 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.149 0.139 7.829 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -3.167 -2.092 6.997 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.844 -1.448 8.093 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.070 -0.142 7.410 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -2.690 -2.447 8.428 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -5.853 -1.548 8.105 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -1.856 -1.031 7.819 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.438 -2.516 4.485 0.20 0.00 N ATOM 1020 N BARG A 36 -5.823 -2.530 5.380 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.847 -2.572 4.114 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.164 -2.769 4.858 0.80 0.00 C ATOM 1023 C AARG A 36 -8.739 -2.414 5.342 0.20 0.00 C ATOM 1024 C BARG A 36 -8.222 -2.185 5.790 0.80 0.00 C ATOM 1025 O AARG A 36 -8.776 -3.269 6.228 0.20 0.00 O ATOM 1026 O BARG A 36 -8.429 -2.659 6.908 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.158 -3.894 3.412 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.402 -4.270 4.674 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.593 -4.000 2.919 0.20 0.00 C ATOM 1030 CG BARG A 36 -8.769 -4.602 4.102 0.80 0.00 C ATOM 1031 CD AARG A 36 -10.133 -5.412 3.073 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.171 -6.034 4.416 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.173 -5.833 4.471 0.20 0.00 N ATOM 1034 NE BARG A 36 -10.615 -6.233 4.313 0.80 0.00 N ATOM 1035 CZ AARG A 36 -10.930 -6.830 4.918 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.260 -7.239 4.894 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.704 -7.504 4.079 0.20 0.00 N ATOM 1038 NH1BARG A 36 -10.595 -8.132 5.613 0.80 0.00 N ATOM 1039 NH2AARG A 36 -10.912 -7.153 6.204 0.20 0.00 N ATOM 1040 NH2BARG A 36 -12.575 -7.353 4.755 0.80 0.00 N ATOM 0 H AARG A 36 -5.920 -3.376 4.305 0.20 0.00 H new ATOM 0 H BARG A 36 -5.278 -3.376 5.545 0.80 0.00 H new ATOM 0 HA AARG A 36 -8.050 -1.748 3.430 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.244 -2.274 3.890 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.482 -4.014 2.565 0.20 0.00 H new ATOM 0 HB2BARG A 36 -6.634 -4.673 4.015 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.957 -4.716 4.099 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.289 -4.768 5.637 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.222 -3.306 3.476 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.512 -3.917 4.510 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.642 -3.703 1.871 0.20 0.00 H new ATOM 0 HG3BARG A 36 -8.758 -4.454 3.022 0.80 0.00 H new ATOM 0 HD2AARG A 36 -11.136 -5.465 2.650 0.20 0.00 H new ATOM 0 HD2BARG A 36 -8.662 -6.712 3.731 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.510 -6.102 2.504 0.20 0.00 H new ATOM 0 HD3BARG A 36 -8.841 -6.291 5.422 0.80 0.00 H new ATOM 0 HE AARG A 36 -9.588 -5.334 5.141 0.20 0.00 H new ATOM 0 HE BARG A 36 -11.157 -5.564 3.766 0.80 0.00 H new ATOM 0 HH11AARG A 36 -11.719 -7.258 3.089 0.20 0.00 H new ATOM 0 HH11BARG A 36 -9.584 -8.048 5.722 0.80 0.00 H new ATOM 0 HH12AARG A 36 -12.284 -8.269 4.423 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.094 -8.903 6.057 0.80 0.00 H new ATOM 0 HH21AARG A 36 -10.317 -6.636 6.851 0.20 0.00 H new ATOM 0 HH21BARG A 36 -13.091 -6.668 4.202 0.80 0.00 H new ATOM 0 HH22AARG A 36 -11.493 -7.918 6.546 0.20 0.00 H new ATOM 0 HH22BARG A 36 -13.070 -8.125 5.201 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.475 -1.295 5.400 0.20 0.00 N ATOM 1068 N BPRO A 37 -8.907 -1.132 5.321 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.380 -0.998 6.514 0.20 0.00 C ATOM 1070 CA BPRO A 37 -9.953 -0.461 6.096 0.80 0.00 C ATOM 1071 C APRO A 37 -11.597 -1.916 6.531 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.201 -1.324 6.255 0.80 0.00 C ATOM 1073 O APRO A 37 -11.986 -2.468 5.502 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.689 -1.911 5.290 0.80 0.00 O ATOM 1075 CB APRO A 37 -10.805 0.449 6.250 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.270 0.784 5.262 0.80 0.00 C ATOM 1077 CG APRO A 37 -10.649 0.628 4.779 0.20 0.00 C ATOM 1078 CG BPRO A 37 -9.886 0.415 3.870 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.480 -0.232 4.380 0.20 0.00 C ATOM 1080 CD BPRO A 37 -8.711 -0.515 3.997 0.80 0.00 C ATOM 0 HA APRO A 37 -9.899 -1.145 7.481 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.627 -0.240 7.112 0.80 0.00 H new ATOM 0 HB2APRO A 37 -11.835 0.622 6.563 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.326 1.045 5.325 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.181 1.152 6.803 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.707 1.649 5.612 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.554 0.327 4.251 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -10.714 -0.070 3.353 0.80 0.00 H new ATOM 0 HG3APRO A 37 -10.468 1.674 4.530 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.623 1.300 3.290 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.604 -0.639 3.376 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -8.702 -1.262 3.203 0.80 0.00 H new ATOM 0 HD3APRO A 37 -8.547 0.332 4.382 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -7.765 0.023 3.940 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.196 -2.074 7.708 0.20 0.00 N ATOM 1096 N BSER A 38 -11.712 -1.398 7.481 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.367 -2.929 7.860 0.20 0.00 C ATOM 1098 CA BSER A 38 -12.899 -2.193 7.767 0.80 0.00 C ATOM 1099 C ASER A 38 -14.595 -2.287 7.221 0.20 0.00 C ATOM 1100 C BSER A 38 -14.138 -1.305 7.860 0.80 0.00 C ATOM 1101 O ASER A 38 -15.216 -2.861 6.328 0.20 0.00 O ATOM 1102 O BSER A 38 -14.041 -0.081 7.826 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.635 -3.205 9.340 0.20 0.00 C ATOM 1104 CB BSER A 38 -12.716 -2.970 9.072 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.572 -2.010 10.102 0.20 0.00 O ATOM 1106 OG BSER A 38 -13.822 -3.824 9.316 0.80 0.00 O ATOM 0 H ASER A 38 -11.889 -1.621 8.569 0.20 0.00 H new ATOM 0 H BSER A 38 -11.322 -0.917 8.291 0.80 0.00 H new ATOM 0 HA ASER A 38 -13.165 -3.872 7.352 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.039 -2.899 6.949 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.618 -3.662 9.456 0.20 0.00 H new ATOM 0 HB2BSER A 38 -11.801 -3.560 9.023 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.904 -3.920 9.718 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.601 -2.272 9.902 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.749 -2.213 11.044 0.20 0.00 H new ATOM 0 HG BSER A 38 -13.681 -4.311 10.155 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.938 -1.090 7.687 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.302 -1.937 7.975 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.090 -0.388 7.150 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.544 -1.190 8.071 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.354 -0.654 7.944 0.20 0.00 C ATOM 1122 C BGLY A 39 -17.300 -1.485 9.351 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.472 -0.233 9.094 0.20 0.00 O ATOM 1124 O BGLY A 39 -16.901 -2.385 10.089 0.80 0.00 O ATOM 0 H AGLY A 39 -14.440 -0.594 8.426 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.408 -2.951 8.003 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -15.888 0.683 7.143 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.328 -0.123 8.018 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.245 -0.690 6.114 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -17.176 -1.430 7.216 0.80 0.00 H new