USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 542 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= 0.393 K(o=-6.7,f=-19!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -6.27! C(o=-6.7!,f=-19!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.4: A 29 THR OG1B: rot -174:sc= -0.8 USER MOD Set 2.1: A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 24 TYR OH A: rot 180:sc= 0 USER MOD Set 2.3: A 24 TYR OH B: rot 180:sc= -0.171 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B: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 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot -94:sc= 0.211 USER MOD Single : A 18 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.0697 X(o=-0.07,f=-0.45) USER MOD Single : A 19 SER OG A: rot -24:sc= 0.164 USER MOD Single : A 19 SER OG B: rot -15:sc= 0.885 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 27 HIS A: no HD1:sc= -0.951 K(o=-0.95,f=-2.5!) USER MOD Single : A 27 HIS B: no HD1:sc= 0.345 K(o=0.34,f=-2.5!) USER MOD Single : A 30 ASN A: amide:sc= -0.0149 X(o=-0.015,f=-0.082) USER MOD Single : A 30 ASN B: amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 32 SER OG A: rot -113:sc= 0.0398 USER MOD Single : A 32 SER OG B: rot 180:sc= 0 USER MOD Single : A 33 GLN A: amide:sc= -0.106 X(o=-0.11,f=-0.0062) USER MOD Single : A 33 GLN B: amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc=-0.00779 USER MOD Single : A 38 SER OG B: rot 57:sc= 0.863 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -12.571 -3.615 -4.730 0.50 0.00 N ATOM 24 N BLYS A 6 -12.089 -5.185 -4.278 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.848 -3.704 -4.033 0.50 0.00 C ATOM 26 CA BLYS A 6 -12.991 -5.049 -3.141 0.50 0.00 C ATOM 27 C ALYS A 6 -13.796 -2.958 -2.705 0.50 0.00 C ATOM 28 C BLYS A 6 -12.524 -3.939 -2.204 0.50 0.00 C ATOM 29 O ALYS A 6 -13.399 -3.517 -1.682 0.50 0.00 O ATOM 30 O BLYS A 6 -11.333 -3.815 -1.919 0.50 0.00 O ATOM 31 CB ALYS A 6 -14.220 -5.170 -3.794 0.50 0.00 C ATOM 32 CB BLYS A 6 -13.081 -6.371 -2.374 0.50 0.00 C ATOM 33 CG ALYS A 6 -13.069 -6.010 -3.267 0.50 0.00 C ATOM 34 CG BLYS A 6 -11.742 -6.864 -1.851 0.50 0.00 C ATOM 35 CD ALYS A 6 -13.453 -7.476 -3.166 0.50 0.00 C ATOM 36 CD BLYS A 6 -11.718 -8.377 -1.717 0.50 0.00 C ATOM 37 CE ALYS A 6 -12.228 -8.378 -3.210 0.50 0.00 C ATOM 38 CE BLYS A 6 -10.569 -8.988 -2.503 0.50 0.00 C ATOM 39 NZ ALYS A 6 -12.533 -9.754 -2.728 0.50 0.00 N ATOM 40 NZ BLYS A 6 -9.363 -9.196 -1.656 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.609 -3.240 -4.660 0.50 0.00 H new ATOM 0 HA BLYS A 6 -13.978 -4.788 -3.523 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -15.047 -5.216 -3.085 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -13.766 -6.249 -1.535 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -14.577 -5.603 -4.729 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.509 -7.132 -3.027 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -12.207 -5.903 -3.926 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -10.947 -6.545 -2.525 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.768 -5.643 -2.286 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -11.539 -6.409 -0.882 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -13.999 -7.647 -2.238 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -11.626 -8.649 -0.665 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -14.126 -7.734 -3.984 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -12.663 -8.790 -2.071 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -11.850 -8.427 -4.231 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -10.885 -9.942 -2.925 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -11.437 -7.946 -2.597 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -10.316 -8.338 -3.340 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -11.673 -10.337 -2.774 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -8.603 -9.614 -2.230 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -12.870 -9.711 -1.745 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -9.045 -8.282 -1.274 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -13.270 -10.177 -3.328 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -9.596 -9.837 -0.871 0.50 0.00 H new ATOM 67 N ALEU A 7 -14.202 -1.693 -2.725 0.50 0.00 N ATOM 68 N BLEU A 7 -13.469 -3.133 -1.731 0.50 0.00 N ATOM 69 CA ALEU A 7 -14.203 -0.869 -1.521 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.154 -2.033 -0.826 0.50 0.00 C ATOM 71 C ALEU A 7 -15.611 -0.384 -1.195 0.50 0.00 C ATOM 72 C BLEU A 7 -14.426 -1.369 -0.314 0.50 0.00 C ATOM 73 O ALEU A 7 -16.487 -0.315 -2.059 0.50 0.00 O ATOM 74 O BLEU A 7 -15.482 -1.423 -0.946 0.50 0.00 O ATOM 75 CB ALEU A 7 -13.266 0.327 -1.697 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.275 -1.000 -1.535 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.790 0.074 -1.398 0.50 0.00 C ATOM 78 CG BLEU A 7 -12.975 -0.119 -2.570 0.50 0.00 C ATOM 79 CD1ALEU A 7 -11.321 -1.206 -2.068 0.50 0.00 C ATOM 80 CD1BLEU A 7 -13.005 1.329 -2.107 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.944 1.256 -1.850 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.287 -0.235 -3.922 0.50 0.00 C ATOM 0 H ALEU A 7 -14.535 -1.215 -3.562 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.459 -3.221 -1.959 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.849 -1.480 -0.691 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.610 -2.440 0.027 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.352 0.682 -2.724 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -11.828 -0.353 -0.780 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.614 1.133 -1.051 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.458 -1.526 -2.028 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.672 -0.041 -0.320 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.003 -0.465 -2.677 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -10.267 -1.369 -1.843 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.507 1.940 -2.857 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.906 -2.047 -1.696 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.544 1.398 -1.162 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.453 -1.122 -3.147 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.985 1.688 -1.970 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.895 1.058 -1.629 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.799 0.399 -4.646 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -11.067 1.403 -2.923 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.249 0.084 -3.830 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.263 2.155 -1.322 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.320 -1.271 -4.259 0.50 0.00 H new ATOM 105 N APRO A 8 -15.838 -0.038 0.081 0.50 0.00 N ATOM 106 N BPRO A 8 -14.329 -0.724 0.858 0.50 0.00 N ATOM 107 CA APRO A 8 -17.138 0.448 0.551 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.461 -0.034 1.480 0.50 0.00 C ATOM 109 C APRO A 8 -17.465 1.838 0.013 0.50 0.00 C ATOM 110 C BPRO A 8 -15.868 1.221 0.713 0.50 0.00 C ATOM 111 O APRO A 8 -16.635 2.500 -0.612 0.50 0.00 O ATOM 112 O BPRO A 8 -15.094 1.783 -0.060 0.50 0.00 O ATOM 113 CB APRO A 8 -16.974 0.489 2.073 0.50 0.00 C ATOM 114 CB BPRO A 8 -14.934 0.336 2.869 0.50 0.00 C ATOM 115 CG APRO A 8 -15.508 0.643 2.290 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.455 0.410 2.703 0.50 0.00 C ATOM 117 CD APRO A 8 -14.842 -0.095 1.165 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.100 -0.620 1.666 0.50 0.00 C ATOM 0 HA APRO A 8 -17.957 -0.188 0.215 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.355 -0.657 1.501 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.529 1.320 2.509 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.343 1.288 3.207 0.50 0.00 H new ATOM 0 HB3APRO A 8 -17.350 -0.423 2.537 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.213 -0.412 3.611 0.50 0.00 H new ATOM 0 HG2APRO A 8 -15.222 1.695 2.290 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.148 1.406 2.384 0.50 0.00 H new ATOM 0 HG3APRO A 8 -15.211 0.233 3.255 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -12.946 0.206 3.645 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.904 0.378 0.874 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.247 -0.307 1.063 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.608 -1.123 1.442 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -12.835 -1.575 2.121 0.50 0.00 H new ATOM 133 N APRO A 9 -18.702 2.294 0.261 0.50 0.00 N ATOM 134 N BPRO A 9 -17.112 1.671 0.932 0.50 0.00 N ATOM 135 CA APRO A 9 -19.165 3.610 -0.189 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.649 2.864 0.271 0.50 0.00 C ATOM 137 C APRO A 9 -18.490 4.750 0.563 0.50 0.00 C ATOM 138 C BPRO A 9 -16.993 4.146 0.768 0.50 0.00 C ATOM 139 O APRO A 9 -18.657 4.894 1.775 0.50 0.00 O ATOM 140 O BPRO A 9 -16.626 4.256 1.938 0.50 0.00 O ATOM 141 CB APRO A 9 -20.666 3.581 0.119 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.132 2.842 0.649 0.50 0.00 C ATOM 143 CG APRO A 9 -20.805 2.597 1.230 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.186 2.077 1.926 0.50 0.00 C ATOM 145 CD APRO A 9 -19.742 1.560 0.999 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.091 1.052 1.842 0.50 0.00 C ATOM 0 HA APRO A 9 -18.934 3.787 -1.239 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.469 2.850 -0.804 0.50 0.00 H new ATOM 0 HB2APRO A 9 -21.029 4.566 0.414 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.523 3.851 0.775 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.244 3.277 -0.754 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.731 2.363 -0.125 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.675 3.080 2.198 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.039 2.736 2.782 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.797 2.146 1.230 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.158 1.600 2.054 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.361 1.160 1.938 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.656 0.847 2.820 0.50 0.00 H new ATOM 0 HD3APRO A 9 -20.123 0.716 0.424 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.458 0.103 1.452 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.726 5.561 -0.162 0.50 0.00 N ATOM 162 N BGLY A 10 -16.847 5.119 -0.128 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.035 6.680 0.454 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.234 6.380 0.240 0.50 0.00 C ATOM 165 C AGLY A 10 -15.535 6.621 0.248 0.50 0.00 C ATOM 166 C BGLY A 10 -14.741 6.399 -0.023 0.50 0.00 C ATOM 167 O AGLY A 10 -14.855 7.645 0.294 0.50 0.00 O ATOM 168 O BGLY A 10 -14.183 7.431 -0.399 0.50 0.00 O ATOM 0 H AGLY A 10 -17.573 5.463 -1.166 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.143 5.055 -1.102 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.419 7.612 0.040 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.708 7.187 -0.318 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.251 6.693 1.522 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.416 6.574 1.297 0.50 0.00 H new ATOM 175 N ATRP A 11 -15.018 5.418 0.023 0.50 0.00 N ATOM 176 N BTRP A 11 -14.093 5.258 0.174 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.588 5.228 -0.189 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.656 5.146 -0.042 0.50 0.00 C ATOM 179 C ATRP A 11 -13.257 5.197 -1.677 0.50 0.00 C ATOM 180 C BTRP A 11 -12.345 4.897 -1.514 0.50 0.00 C ATOM 181 O ATRP A 11 -14.106 4.866 -2.503 0.50 0.00 O ATOM 182 O BTRP A 11 -13.089 4.203 -2.205 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.119 3.935 0.477 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.075 4.020 0.813 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.788 4.100 1.930 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.372 4.170 2.275 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.637 3.944 2.987 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.519 3.804 2.920 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.515 4.455 2.483 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.510 4.728 3.271 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.971 4.182 4.165 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.422 4.101 4.258 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.668 4.497 3.884 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.198 4.669 4.499 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.263 4.742 1.933 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.221 5.269 3.248 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.614 4.812 4.736 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.640 5.131 5.689 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.219 5.054 2.784 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.670 5.730 4.428 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.400 5.088 4.172 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.378 5.657 5.635 0.50 0.00 C ATOM 0 H ATRP A 11 -15.568 4.560 -0.017 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.541 4.395 0.484 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.065 6.071 0.263 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.196 6.089 0.253 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.897 3.178 0.373 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.473 3.067 0.465 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.240 3.563 -0.048 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.995 3.986 0.671 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.680 3.673 2.909 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.376 3.348 2.448 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.381 4.132 5.098 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.143 3.927 4.958 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.114 4.721 0.864 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.666 5.326 2.324 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.751 4.838 5.807 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.184 5.076 6.620 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.246 5.276 2.371 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.677 6.154 4.420 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.564 5.337 4.809 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.918 6.023 6.541 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.016 5.544 -2.012 0.50 0.00 N ATOM 224 N BGLU A 12 -11.239 5.465 -1.986 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.577 5.555 -3.401 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.832 5.304 -3.376 0.50 0.00 C ATOM 227 C AGLU A 12 -10.241 4.831 -3.554 0.50 0.00 C ATOM 228 C BGLU A 12 -9.514 4.541 -3.472 0.50 0.00 C ATOM 229 O AGLU A 12 -9.231 5.240 -2.983 0.50 0.00 O ATOM 230 O BGLU A 12 -8.634 4.690 -2.623 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.451 6.993 -3.908 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.694 6.670 -4.054 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.134 7.090 -5.391 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.826 7.628 -3.726 0.50 0.00 C ATOM 235 CD AGLU A 12 -10.841 8.511 -5.833 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.111 8.602 -4.856 0.50 0.00 C ATOM 237 OE1AGLU A 12 -11.207 8.865 -6.974 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.802 8.206 -5.817 0.50 0.00 O ATOM 239 OE2AGLU A 12 -10.247 9.270 -5.039 0.50 0.00 O ATOM 240 OE2BGLU A 12 -11.642 9.757 -4.776 0.50 0.00 O ATOM 0 H AGLU A 12 -11.300 5.820 -1.340 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.610 6.040 -1.426 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.325 5.032 -3.997 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.603 4.729 -3.889 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.383 7.522 -3.709 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -9.748 7.122 -3.754 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.669 7.501 -3.344 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.651 6.528 -5.134 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.275 6.459 -5.617 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.728 7.057 -3.507 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -11.975 6.701 -5.965 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.575 8.186 -2.824 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.246 3.753 -4.330 0.50 0.00 N ATOM 254 N BLYS A 13 -9.386 3.722 -4.510 0.50 0.00 N ATOM 255 CA ALYS A 13 -9.037 2.971 -4.561 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.176 2.935 -4.719 0.50 0.00 C ATOM 257 C ALYS A 13 -8.143 3.643 -5.599 0.50 0.00 C ATOM 258 C BLYS A 13 -7.350 3.500 -5.869 0.50 0.00 C ATOM 259 O ALYS A 13 -8.484 3.702 -6.780 0.50 0.00 O ATOM 260 O BLYS A 13 -7.839 3.631 -6.992 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.400 1.558 -5.025 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.536 1.474 -5.006 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.192 0.688 -5.326 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.334 0.547 -5.032 0.50 0.00 C ATOM 265 CD ALYS A 13 -8.483 -0.779 -5.066 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.741 -0.898 -4.783 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.304 -1.659 -5.454 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.468 -1.770 -5.998 0.50 0.00 C ATOM 269 NZ ALYS A 13 -7.160 -2.829 -4.542 0.50 0.00 N ATOM 270 NZ BLYS A 13 -8.591 -1.733 -6.975 0.50 0.00 N ATOM 0 H ALYS A 13 -11.074 3.401 -4.810 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.105 3.586 -5.220 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.489 2.910 -3.620 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.579 2.985 -3.808 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -10.002 1.075 -4.255 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.237 1.125 -4.248 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -10.020 1.626 -5.919 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.050 1.417 -5.966 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.896 0.822 -6.366 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.834 0.624 -5.997 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -7.350 1.007 -4.711 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.615 0.860 -4.275 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.714 -0.924 -4.011 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.195 -1.288 -3.924 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -9.365 -1.081 -5.630 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -8.801 -0.941 -4.534 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -7.435 -2.010 -6.477 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.552 -1.436 -6.486 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.388 -1.068 -5.434 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -7.301 -2.798 -5.676 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -6.346 -3.403 -4.840 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -8.364 -2.341 -7.788 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -7.010 -2.494 -3.569 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -9.460 -2.076 -6.518 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -8.024 -3.407 -4.580 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -8.734 -0.756 -7.302 0.50 0.00 H new ATOM 297 N AARG A 14 -7.000 4.148 -5.151 0.50 0.00 N ATOM 298 N BARG A 14 -6.096 3.834 -5.583 0.50 0.00 N ATOM 299 CA AARG A 14 -6.058 4.817 -6.039 0.50 0.00 C ATOM 300 CA BARG A 14 -5.202 4.386 -6.594 0.50 0.00 C ATOM 301 C AARG A 14 -4.816 3.957 -6.260 0.50 0.00 C ATOM 302 C BARG A 14 -3.834 3.716 -6.534 0.50 0.00 C ATOM 303 O AARG A 14 -4.589 2.983 -5.544 0.50 0.00 O ATOM 304 O BARG A 14 -3.413 3.232 -5.483 0.50 0.00 O ATOM 305 CB AARG A 14 -5.655 6.175 -5.463 0.50 0.00 C ATOM 306 CB BARG A 14 -5.051 5.897 -6.401 0.50 0.00 C ATOM 307 CG AARG A 14 -6.833 7.102 -5.213 0.50 0.00 C ATOM 308 CG BARG A 14 -6.325 6.582 -5.935 0.50 0.00 C ATOM 309 CD AARG A 14 -6.935 8.176 -6.283 0.50 0.00 C ATOM 310 CD BARG A 14 -6.517 7.927 -6.621 0.50 0.00 C ATOM 311 NE AARG A 14 -7.298 7.618 -7.583 0.50 0.00 N ATOM 312 NE BARG A 14 -7.895 8.399 -6.521 0.50 0.00 N ATOM 313 CZ AARG A 14 -7.846 8.331 -8.561 0.50 0.00 C ATOM 314 CZ BARG A 14 -8.871 7.998 -7.330 0.50 0.00 C ATOM 315 NH1AARG A 14 -8.094 9.623 -8.389 0.50 0.00 N ATOM 316 NH1BARG A 14 -8.619 7.121 -8.291 0.50 0.00 N ATOM 317 NH2AARG A 14 -8.148 7.752 -9.718 0.50 0.00 N ATOM 318 NH2BARG A 14 -10.099 8.474 -7.175 0.50 0.00 N ATOM 0 H AARG A 14 -6.703 4.107 -4.176 0.50 0.00 H new ATOM 0 H BARG A 14 -5.676 3.732 -4.659 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.550 4.970 -7.000 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.639 4.193 -7.574 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.121 6.019 -4.526 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.261 6.085 -5.674 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.961 6.660 -6.149 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.731 6.345 -7.342 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.755 6.522 -5.190 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.181 5.941 -6.143 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.727 7.571 -4.235 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.289 6.725 -4.855 0.50 0.00 H new ATOM 0 HD2AARG A 14 -7.678 8.915 -5.985 0.50 0.00 H new ATOM 0 HD2BARG A 14 -5.848 8.662 -6.172 0.50 0.00 H new ATOM 0 HD3AARG A 14 -5.982 8.698 -6.365 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.238 7.842 -7.671 0.50 0.00 H new ATOM 0 HE AARG A 14 -7.121 6.627 -7.749 0.50 0.00 H new ATOM 0 HE BARG A 14 -8.121 9.074 -5.790 0.50 0.00 H new ATOM 0 HH11AARG A 14 -7.864 10.073 -7.503 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.675 6.753 -8.411 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.515 10.166 -9.143 0.50 0.00 H new ATOM 0 HH12BARG A 14 -9.369 6.814 -8.911 0.50 0.00 H new ATOM 0 HH21AARG A 14 -7.959 6.759 -9.856 0.50 0.00 H new ATOM 0 HH21BARG A 14 -10.295 9.148 -6.435 0.50 0.00 H new ATOM 0 HH22AARG A 14 -8.569 8.300 -10.468 0.50 0.00 H new ATOM 0 HH22BARG A 14 -10.847 8.166 -7.796 0.50 0.00 H new ATOM 345 N AMET A 15 -4.014 4.328 -7.255 0.50 0.00 N ATOM 346 N BMET A 15 -3.143 3.690 -7.671 0.50 0.00 N ATOM 347 CA AMET A 15 -2.796 3.591 -7.568 0.50 0.00 C ATOM 348 CA BMET A 15 -1.821 3.078 -7.746 0.50 0.00 C ATOM 349 C AMET A 15 -1.597 4.531 -7.640 0.50 0.00 C ATOM 350 C BMET A 15 -0.743 4.138 -7.956 0.50 0.00 C ATOM 351 O AMET A 15 -1.727 5.688 -8.039 0.50 0.00 O ATOM 352 O BMET A 15 -0.619 4.705 -9.042 0.50 0.00 O ATOM 353 CB AMET A 15 -2.954 2.842 -8.892 0.50 0.00 C ATOM 354 CB BMET A 15 -1.774 2.055 -8.883 0.50 0.00 C ATOM 355 CG AMET A 15 -2.481 1.398 -8.832 0.50 0.00 C ATOM 356 CG BMET A 15 -0.608 1.084 -8.777 0.50 0.00 C ATOM 357 SD AMET A 15 -2.248 0.675 -10.469 0.50 0.00 S ATOM 358 SD BMET A 15 -1.132 -0.639 -8.842 0.50 0.00 S ATOM 359 CE AMET A 15 -0.860 -0.413 -10.162 0.50 0.00 C ATOM 360 CE BMET A 15 -0.100 -1.258 -10.168 0.50 0.00 C ATOM 0 H AMET A 15 -4.187 5.133 -7.857 0.50 0.00 H new ATOM 0 H BMET A 15 -3.476 4.085 -8.550 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.621 2.869 -6.770 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.628 2.570 -6.801 0.50 0.00 H new ATOM 0 HB2AMET A 15 -4.003 2.860 -9.188 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.707 1.491 -8.893 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.395 3.367 -9.666 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.711 2.583 -9.834 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.542 1.350 -8.281 0.50 0.00 H new ATOM 0 HG2BMET A 15 0.095 1.277 -9.587 0.50 0.00 H new ATOM 0 HG3AMET A 15 -3.207 0.804 -8.277 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.075 1.263 -7.843 0.50 0.00 H new ATOM 0 HE1AMET A 15 -0.595 -0.934 -11.082 0.50 0.00 H new ATOM 0 HE1BMET A 15 -0.309 -2.316 -10.328 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.007 0.173 -9.819 0.50 0.00 H new ATOM 0 HE2BMET A 15 -0.311 -0.704 -11.082 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.131 -1.142 -9.398 0.50 0.00 H new ATOM 0 HE3BMET A 15 0.949 -1.132 -9.902 0.50 0.00 H new ATOM 379 N ASER A 16 -0.430 4.026 -7.254 0.50 0.00 N ATOM 380 N BSER A 16 0.032 4.401 -6.910 0.50 0.00 N ATOM 381 CA ASER A 16 0.792 4.823 -7.273 0.50 0.00 C ATOM 382 CA BSER A 16 1.097 5.397 -6.978 0.50 0.00 C ATOM 383 C ASER A 16 1.464 4.754 -8.641 0.50 0.00 C ATOM 384 C BSER A 16 2.250 4.900 -7.844 0.50 0.00 C ATOM 385 O ASER A 16 1.107 3.926 -9.480 0.50 0.00 O ATOM 386 O BSER A 16 3.008 4.017 -7.442 0.50 0.00 O ATOM 387 CB ASER A 16 1.759 4.339 -6.192 0.50 0.00 C ATOM 388 CB BSER A 16 1.606 5.728 -5.573 0.50 0.00 C ATOM 389 OG ASER A 16 2.171 5.409 -5.359 0.50 0.00 O ATOM 390 OG BSER A 16 1.111 4.804 -4.621 0.50 0.00 O ATOM 0 H ASER A 16 -0.304 3.069 -6.924 0.50 0.00 H new ATOM 0 H BSER A 16 -0.056 3.939 -6.005 0.50 0.00 H new ATOM 0 HA ASER A 16 0.523 5.860 -7.071 0.50 0.00 H new ATOM 0 HA BSER A 16 0.688 6.300 -7.431 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.279 3.569 -5.589 0.50 0.00 H new ATOM 0 HB2BSER A 16 2.696 5.714 -5.565 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.631 3.881 -6.659 0.50 0.00 H new ATOM 0 HB3BSER A 16 1.298 6.737 -5.299 0.50 0.00 H new ATOM 0 HG ASER A 16 2.787 5.073 -4.675 0.50 0.00 H new ATOM 0 HG BSER A 16 0.290 5.157 -4.219 0.50 0.00 H new ATOM 401 N AARG A 17 2.438 5.631 -8.857 0.50 0.00 N ATOM 402 N BARG A 17 2.376 5.473 -9.036 0.50 0.00 N ATOM 403 CA AARG A 17 3.162 5.671 -10.124 0.50 0.00 C ATOM 404 CA BARG A 17 3.435 5.089 -9.961 0.50 0.00 C ATOM 405 C AARG A 17 4.669 5.710 -9.888 0.50 0.00 C ATOM 406 C BARG A 17 4.798 5.134 -9.277 0.50 0.00 C ATOM 407 O AARG A 17 5.368 6.569 -10.423 0.50 0.00 O ATOM 408 O BARG A 17 4.922 5.611 -8.149 0.50 0.00 O ATOM 409 CB AARG A 17 2.730 6.887 -10.943 0.50 0.00 C ATOM 410 CB BARG A 17 3.436 6.011 -11.182 0.50 0.00 C ATOM 411 CG AARG A 17 3.230 6.863 -12.378 0.50 0.00 C ATOM 412 CG BARG A 17 3.992 7.396 -10.900 0.50 0.00 C ATOM 413 CD AARG A 17 3.237 8.256 -12.989 0.50 0.00 C ATOM 414 CD BARG A 17 3.350 8.447 -11.791 0.50 0.00 C ATOM 415 NE AARG A 17 1.994 8.976 -12.725 0.50 0.00 N ATOM 416 NE BARG A 17 1.899 8.499 -11.620 0.50 0.00 N ATOM 417 CZ AARG A 17 1.884 10.300 -12.789 0.50 0.00 C ATOM 418 CZ BARG A 17 1.124 9.406 -12.203 0.50 0.00 C ATOM 419 NH1AARG A 17 2.935 11.042 -13.107 0.50 0.00 N ATOM 420 NH1BARG A 17 1.654 10.332 -12.989 0.50 0.00 N ATOM 421 NH2AARG A 17 0.718 10.881 -12.533 0.50 0.00 N ATOM 422 NH2BARG A 17 -0.188 9.386 -11.999 0.50 0.00 N ATOM 0 H AARG A 17 2.745 6.323 -8.173 0.50 0.00 H new ATOM 0 H BARG A 17 1.757 6.205 -9.384 0.50 0.00 H new ATOM 0 HA AARG A 17 2.923 4.764 -10.680 0.50 0.00 H new ATOM 0 HA BARG A 17 3.244 4.066 -10.286 0.50 0.00 H new ATOM 0 HB2AARG A 17 1.641 6.944 -10.947 0.50 0.00 H new ATOM 0 HB2BARG A 17 4.023 5.548 -11.975 0.50 0.00 H new ATOM 0 HB3AARG A 17 3.094 7.791 -10.455 0.50 0.00 H new ATOM 0 HB3BARG A 17 2.416 6.107 -11.554 0.50 0.00 H new ATOM 0 HG2AARG A 17 4.237 6.447 -12.407 0.50 0.00 H new ATOM 0 HG2BARG A 17 3.822 7.651 -9.854 0.50 0.00 H new ATOM 0 HG3AARG A 17 2.597 6.206 -12.974 0.50 0.00 H new ATOM 0 HG3BARG A 17 5.071 7.395 -11.056 0.50 0.00 H new ATOM 0 HD2AARG A 17 4.077 8.823 -12.588 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.777 9.424 -11.564 0.50 0.00 H new ATOM 0 HD3AARG A 17 3.390 8.179 -14.066 0.50 0.00 H new ATOM 0 HD3BARG A 17 3.585 8.231 -12.833 0.50 0.00 H new ATOM 0 HE AARG A 17 1.166 8.434 -12.478 0.50 0.00 H new ATOM 0 HE BARG A 17 1.458 7.801 -11.021 0.50 0.00 H new ATOM 0 HH11AARG A 17 3.832 10.598 -13.304 0.50 0.00 H new ATOM 0 HH11BARG A 17 2.661 10.350 -13.148 0.50 0.00 H new ATOM 0 HH12AARG A 17 2.847 12.057 -13.155 0.50 0.00 H new ATOM 0 HH12BARG A 17 1.055 11.027 -13.435 0.50 0.00 H new ATOM 0 HH21AARG A 17 -0.092 10.312 -12.288 0.50 0.00 H new ATOM 0 HH21BARG A 17 -0.599 8.674 -11.395 0.50 0.00 H new ATOM 0 HH22AARG A 17 0.632 11.896 -12.582 0.50 0.00 H new ATOM 0 HH22BARG A 17 -0.784 10.082 -12.446 0.50 0.00 H new ATOM 449 N AASN A 18 5.162 4.774 -9.083 0.50 0.00 N ATOM 450 N BASN A 18 5.819 4.633 -9.967 0.50 0.00 N ATOM 451 CA AASN A 18 6.585 4.703 -8.775 0.50 0.00 C ATOM 452 CA BASN A 18 7.172 4.615 -9.424 0.50 0.00 C ATOM 453 C AASN A 18 6.993 3.280 -8.407 0.50 0.00 C ATOM 454 C BASN A 18 7.240 3.766 -8.158 0.50 0.00 C ATOM 455 O AASN A 18 7.727 2.624 -9.144 0.50 0.00 O ATOM 456 O BASN A 18 8.136 3.935 -7.332 0.50 0.00 O ATOM 457 CB AASN A 18 6.930 5.657 -7.629 0.50 0.00 C ATOM 458 CB BASN A 18 7.642 6.040 -9.123 0.50 0.00 C ATOM 459 CG AASN A 18 8.014 6.647 -8.007 0.50 0.00 C ATOM 460 CG BASN A 18 8.977 6.357 -9.768 0.50 0.00 C ATOM 461 OD1AASN A 18 9.192 6.296 -8.082 0.50 0.00 O ATOM 462 OD1BASN A 18 9.230 5.980 -10.913 0.50 0.00 O ATOM 463 ND2AASN A 18 7.622 7.894 -8.247 0.50 0.00 N ATOM 464 ND2BASN A 18 9.837 7.053 -9.035 0.50 0.00 N ATOM 0 H AASN A 18 4.597 4.054 -8.632 0.50 0.00 H new ATOM 0 H BASN A 18 5.734 4.235 -10.902 0.50 0.00 H new ATOM 0 HA AASN A 18 7.138 5.001 -9.666 0.50 0.00 H new ATOM 0 HA BASN A 18 7.831 4.173 -10.171 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.034 6.201 -7.330 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.893 6.749 -9.477 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.255 5.079 -6.764 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.722 6.173 -8.044 0.50 0.00 H new ATOM 0 HD21AASN A 18 8.308 8.604 -8.505 0.50 0.00 H new ATOM 0 HD21BASN A 18 10.751 7.297 -9.416 0.50 0.00 H new ATOM 0 HD22AASN A 18 6.635 8.142 -8.173 0.50 0.00 H new ATOM 0 HD22BASN A 18 9.584 7.344 -8.091 0.50 0.00 H new ATOM 477 N ASER A 19 6.508 2.809 -7.262 0.50 0.00 N ATOM 478 N BSER A 19 6.285 2.853 -8.013 0.50 0.00 N ATOM 479 CA ASER A 19 6.823 1.465 -6.794 0.50 0.00 C ATOM 480 CA BSER A 19 6.233 1.980 -6.846 0.50 0.00 C ATOM 481 C ASER A 19 5.612 0.547 -6.925 0.50 0.00 C ATOM 482 C BSER A 19 5.068 1.001 -6.950 0.50 0.00 C ATOM 483 O ASER A 19 5.496 -0.452 -6.214 0.50 0.00 O ATOM 484 O BSER A 19 5.168 -0.148 -6.526 0.50 0.00 O ATOM 485 CB ASER A 19 7.290 1.506 -5.338 0.50 0.00 C ATOM 486 CB BSER A 19 6.106 2.809 -5.567 0.50 0.00 C ATOM 487 OG ASER A 19 6.227 1.860 -4.470 0.50 0.00 O ATOM 488 OG BSER A 19 4.918 3.581 -5.576 0.50 0.00 O ATOM 0 H ASER A 19 5.895 3.339 -6.642 0.50 0.00 H new ATOM 0 H BSER A 19 5.537 2.699 -8.689 0.50 0.00 H new ATOM 0 HA ASER A 19 7.627 1.069 -7.415 0.50 0.00 H new ATOM 0 HA BSER A 19 7.161 1.409 -6.809 0.50 0.00 H new ATOM 0 HB2ASER A 19 7.687 0.532 -5.053 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.108 2.148 -4.700 0.50 0.00 H new ATOM 0 HB3ASER A 19 8.103 2.225 -5.234 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.970 3.466 -5.469 0.50 0.00 H new ATOM 0 HG ASER A 19 5.551 2.363 -4.969 0.50 0.00 H new ATOM 0 HG BSER A 19 4.553 3.609 -6.485 0.50 0.00 H new ATOM 499 N AGLY A 20 4.712 0.892 -7.840 0.50 0.00 N ATOM 500 N BGLY A 20 3.961 1.469 -7.519 0.50 0.00 N ATOM 501 CA AGLY A 20 3.522 0.089 -8.048 0.50 0.00 C ATOM 502 CA BGLY A 20 2.790 0.624 -7.669 0.50 0.00 C ATOM 503 C AGLY A 20 2.803 -0.233 -6.752 0.50 0.00 C ATOM 504 C BGLY A 20 2.236 0.159 -6.336 0.50 0.00 C ATOM 505 O AGLY A 20 2.148 -1.268 -6.638 0.50 0.00 O ATOM 506 O BGLY A 20 1.840 -0.997 -6.191 0.50 0.00 O ATOM 0 H AGLY A 20 4.786 1.713 -8.441 0.50 0.00 H new ATOM 0 H BGLY A 20 3.854 2.418 -7.879 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.842 0.619 -8.715 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.017 1.171 -8.209 0.50 0.00 H new ATOM 0 HA3AGLY A 20 3.797 -0.840 -8.547 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.048 -0.245 -8.275 0.50 0.00 H new ATOM 513 N AARG A 21 2.930 0.655 -5.772 0.50 0.00 N ATOM 514 N BARG A 21 2.208 1.062 -5.362 0.50 0.00 N ATOM 515 CA AARG A 21 2.291 0.459 -4.476 0.50 0.00 C ATOM 516 CA BARG A 21 1.701 0.737 -4.034 0.50 0.00 C ATOM 517 C AARG A 21 0.805 0.801 -4.546 0.50 0.00 C ATOM 518 C BARG A 21 0.256 1.201 -3.875 0.50 0.00 C ATOM 519 O AARG A 21 0.358 1.487 -5.463 0.50 0.00 O ATOM 520 O BARG A 21 -0.004 2.370 -3.587 0.50 0.00 O ATOM 521 CB AARG A 21 2.975 1.319 -3.410 0.50 0.00 C ATOM 522 CB BARG A 21 2.576 1.383 -2.959 0.50 0.00 C ATOM 523 CG AARG A 21 3.547 0.517 -2.255 0.50 0.00 C ATOM 524 CG BARG A 21 3.533 0.412 -2.287 0.50 0.00 C ATOM 525 CD AARG A 21 4.717 1.235 -1.602 0.50 0.00 C ATOM 526 CD BARG A 21 4.917 1.021 -2.117 0.50 0.00 C ATOM 527 NE AARG A 21 4.316 2.506 -1.003 0.50 0.00 N ATOM 528 NE BARG A 21 4.930 2.068 -1.099 0.50 0.00 N ATOM 529 CZ AARG A 21 4.453 3.679 -1.609 0.50 0.00 C ATOM 530 CZ BARG A 21 4.897 3.367 -1.381 0.50 0.00 C ATOM 531 NH1AARG A 21 4.980 3.746 -2.824 0.50 0.00 N ATOM 532 NH1BARG A 21 4.846 3.774 -2.642 0.50 0.00 N ATOM 533 NH2AARG A 21 4.062 4.792 -0.998 0.50 0.00 N ATOM 534 NH2BARG A 21 4.913 4.260 -0.401 0.50 0.00 N ATOM 0 H AARG A 21 3.469 1.517 -5.850 0.50 0.00 H new ATOM 0 H BARG A 21 2.530 2.024 -5.467 0.50 0.00 H new ATOM 0 HA AARG A 21 2.392 -0.592 -4.204 0.50 0.00 H new ATOM 0 HA BARG A 21 1.732 -0.346 -3.916 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.777 1.891 -3.877 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.150 2.193 -3.409 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.256 2.039 -3.020 0.50 0.00 H new ATOM 0 HB3BARG A 21 1.934 1.830 -2.200 0.50 0.00 H new ATOM 0 HG2AARG A 21 2.768 0.340 -1.513 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.138 0.126 -1.312 0.50 0.00 H new ATOM 0 HG3AARG A 21 3.873 -0.459 -2.615 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.606 -0.499 -2.881 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.153 0.595 -0.835 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.626 0.240 -1.843 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.493 1.414 -2.346 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.251 1.435 -3.068 0.50 0.00 H new ATOM 0 HE AARG A 21 3.909 2.491 -0.068 0.50 0.00 H new ATOM 0 HE BARG A 21 4.966 1.788 -0.119 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.282 2.894 -3.297 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.832 3.090 -3.399 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.083 4.650 -3.286 0.50 0.00 H new ATOM 0 HH12BARG A 21 4.821 4.771 -2.855 0.50 0.00 H new ATOM 0 HH21AARG A 21 3.657 4.745 -0.063 0.50 0.00 H new ATOM 0 HH21BARG A 21 4.951 3.951 0.570 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.167 5.693 -1.464 0.50 0.00 H new ATOM 0 HH22BARG A 21 4.888 5.256 -0.618 0.50 0.00 H new ATOM 561 N AVAL A 22 0.046 0.315 -3.568 0.50 0.00 N ATOM 562 N BVAL A 22 -0.682 0.278 -4.066 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.388 0.569 -3.517 0.50 0.00 C ATOM 564 CA BVAL A 22 -2.100 0.592 -3.944 0.50 0.00 C ATOM 565 C AVAL A 22 -1.775 1.288 -2.230 0.50 0.00 C ATOM 566 C BVAL A 22 -2.448 1.015 -2.521 0.50 0.00 C ATOM 567 O AVAL A 22 -1.255 0.983 -1.156 0.50 0.00 O ATOM 568 O BVAL A 22 -1.944 0.446 -1.552 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.194 -0.738 -3.623 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.976 -0.611 -4.341 0.50 0.00 C ATOM 571 CG1AVAL A 22 -1.661 -1.606 -4.753 0.50 0.00 C ATOM 572 CG1BVAL A 22 -4.210 -0.686 -3.456 0.50 0.00 C ATOM 573 CG2AVAL A 22 -2.161 -1.492 -2.300 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.367 -0.525 -5.808 0.50 0.00 C ATOM 0 H AVAL A 22 0.401 -0.256 -2.801 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.485 -0.694 -4.306 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.626 1.205 -4.370 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.302 1.419 -4.625 0.50 0.00 H new ATOM 0 HB AVAL A 22 -3.231 -0.487 -3.848 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.397 -1.523 -4.196 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -2.244 -2.525 -4.812 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -4.817 -1.542 -3.751 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -1.741 -1.065 -5.696 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -3.905 -0.798 -2.416 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -0.616 -1.851 -4.562 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -4.793 0.228 -3.567 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.736 -2.414 -2.392 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -3.986 -1.383 -6.071 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -1.129 -1.732 -2.044 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -3.928 0.393 -5.982 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -2.595 -0.871 -1.516 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -2.468 -0.523 -6.425 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.690 2.244 -2.343 0.50 0.00 N ATOM 594 N BTYR A 23 -3.315 2.014 -2.403 0.50 0.00 N ATOM 595 CA ATYR A 23 -3.146 3.009 -1.190 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.729 2.514 -1.097 0.50 0.00 C ATOM 597 C ATYR A 23 -4.617 3.386 -1.331 0.50 0.00 C ATOM 598 C BTYR A 23 -5.159 3.048 -1.148 0.50 0.00 C ATOM 599 O ATYR A 23 -5.221 3.195 -2.387 0.50 0.00 O ATOM 600 O BTYR A 23 -5.642 3.463 -2.203 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.298 4.271 -1.021 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.779 3.615 -0.624 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.485 5.280 -2.133 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.794 4.847 -1.499 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.325 6.373 -1.968 0.50 0.00 C ATOM 606 CD1BTYR A 23 -2.010 4.920 -2.644 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.825 5.137 -3.346 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.592 5.939 -1.182 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.501 7.297 -2.981 0.50 0.00 C ATOM 610 CE1BTYR A 23 -2.020 6.043 -3.447 0.50 0.00 C ATOM 611 CE2ATYR A 23 -1.993 6.055 -4.363 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.609 7.068 -1.980 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.832 7.135 -4.176 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.822 7.115 -3.111 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.004 8.051 -5.188 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.836 8.235 -3.908 0.50 0.00 O ATOM 0 H ATYR A 23 -3.131 2.508 -3.224 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.744 2.493 -3.194 0.50 0.00 H new ATOM 0 HA ATYR A 23 -3.035 2.383 -0.305 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.693 1.685 -0.390 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.547 4.741 -0.070 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.045 3.900 0.394 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.247 3.988 -0.971 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.765 3.217 -0.589 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.849 6.503 -1.033 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -1.382 4.083 -2.911 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -1.169 4.293 -3.497 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -4.210 5.906 -0.297 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -4.159 8.141 -2.837 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.404 6.083 -4.333 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.471 5.929 -5.300 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.235 7.908 -1.719 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.461 7.790 -5.961 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.454 8.896 -3.532 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.188 3.923 -0.258 0.50 0.00 N ATOM 636 N BTYR A 24 -5.829 3.034 -0.002 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.590 4.327 -0.260 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.203 3.514 0.085 0.50 0.00 C ATOM 639 C ATYR A 24 -6.749 5.744 0.277 0.50 0.00 C ATOM 640 C BTYR A 24 -7.258 4.889 0.743 0.50 0.00 C ATOM 641 O ATYR A 24 -5.995 6.181 1.146 0.50 0.00 O ATOM 642 O BTYR A 24 -6.774 5.078 1.859 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.423 3.355 0.576 0.50 0.00 C ATOM 644 CB BTYR A 24 -8.062 2.525 0.875 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.242 1.906 0.183 0.50 0.00 C ATOM 646 CG BTYR A 24 -8.043 1.121 0.310 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.594 1.462 -1.086 0.50 0.00 C ATOM 648 CD1BTYR A 24 -8.936 0.742 -0.685 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.718 0.983 1.079 0.50 0.00 C ATOM 650 CD2BTYR A 24 -7.136 0.179 0.772 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.430 0.139 -1.450 0.50 0.00 C ATOM 652 CE1BTYR A 24 -8.923 -0.538 -1.203 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.550 -0.341 0.723 0.50 0.00 C ATOM 654 CE2BTYR A 24 -7.117 -1.104 0.258 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.908 -0.760 -0.543 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.012 -1.457 -0.730 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.742 -2.077 -0.900 0.50 0.00 O ATOM 658 OH BTYR A 24 -7.996 -2.734 -1.243 0.50 0.00 O ATOM 0 H ATYR A 24 -4.702 4.089 0.624 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.444 2.696 0.880 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.946 4.307 -1.290 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.596 3.599 -0.928 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.157 3.473 1.627 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.713 2.497 1.907 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.476 3.619 0.482 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -9.090 2.886 0.896 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -8.002 2.162 -1.799 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.651 1.460 -1.059 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.437 1.306 2.071 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -6.434 0.452 1.546 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.709 -0.190 -2.440 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.624 -0.818 -1.976 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -6.140 -1.045 1.432 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.405 -1.826 0.628 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.362 -2.575 -0.146 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.293 -3.255 -0.802 0.50 0.00 H new ATOM 677 N APHE A 25 -7.739 6.461 -0.247 0.50 0.00 N ATOM 678 N BPHE A 25 -7.852 5.850 0.042 0.50 0.00 N ATOM 679 CA APHE A 25 -7.999 7.833 0.180 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.973 7.209 0.556 0.50 0.00 C ATOM 681 C APHE A 25 -9.496 8.068 0.366 0.50 0.00 C ATOM 682 C BPHE A 25 -9.419 7.691 0.490 0.50 0.00 C ATOM 683 O APHE A 25 -10.268 7.996 -0.589 0.50 0.00 O ATOM 684 O BPHE A 25 -10.089 7.537 -0.530 0.50 0.00 O ATOM 685 CB APHE A 25 -7.437 8.822 -0.843 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.071 8.157 -0.236 0.50 0.00 C ATOM 687 CG APHE A 25 -6.867 10.065 -0.224 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.284 9.607 0.096 0.50 0.00 C ATOM 689 CD1APHE A 25 -7.687 11.133 0.100 0.50 0.00 C ATOM 690 CD1BPHE A 25 -6.736 10.157 1.242 0.50 0.00 C ATOM 691 CD2APHE A 25 -5.511 10.165 0.036 0.50 0.00 C ATOM 692 CD2BPHE A 25 -8.036 10.418 -0.738 0.50 0.00 C ATOM 693 CE1APHE A 25 -7.166 12.279 0.671 0.50 0.00 C ATOM 694 CE1BPHE A 25 -6.929 11.491 1.553 0.50 0.00 C ATOM 695 CE2APHE A 25 -4.982 11.309 0.607 0.50 0.00 C ATOM 696 CE2BPHE A 25 -8.234 11.753 -0.434 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.810 12.367 0.925 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.681 12.289 0.714 0.50 0.00 C ATOM 0 H APHE A 25 -8.374 6.116 -0.967 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.257 5.712 -0.884 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.503 7.992 1.137 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.659 7.205 1.600 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.660 8.327 -1.426 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.029 7.898 -0.045 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.228 9.102 -1.538 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.247 8.007 -1.301 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.747 11.070 -0.096 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -6.149 9.536 1.903 0.50 0.00 H new ATOM 0 HD2APHE A 25 -4.858 9.340 -0.210 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -8.472 10.004 -1.635 0.50 0.00 H new ATOM 0 HE1APHE A 25 -7.817 13.104 0.918 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -6.493 11.907 2.449 0.50 0.00 H new ATOM 0 HE2APHE A 25 -3.922 11.374 0.804 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -8.820 12.376 -1.093 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.399 13.261 1.371 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -7.837 13.330 0.954 0.50 0.00 H new ATOM 717 N AASN A 26 -9.894 8.353 1.602 0.50 0.00 N ATOM 718 N BASN A 26 -9.892 8.274 1.587 0.50 0.00 N ATOM 719 CA AASN A 26 -11.297 8.600 1.913 0.50 0.00 C ATOM 720 CA BASN A 26 -11.260 8.777 1.653 0.50 0.00 C ATOM 721 C AASN A 26 -11.636 10.079 1.762 0.50 0.00 C ATOM 722 C BASN A 26 -11.275 10.274 1.953 0.50 0.00 C ATOM 723 O AASN A 26 -11.045 10.933 2.421 0.50 0.00 O ATOM 724 O BASN A 26 -10.448 10.772 2.717 0.50 0.00 O ATOM 725 CB AASN A 26 -11.613 8.135 3.336 0.50 0.00 C ATOM 726 CB BASN A 26 -12.050 8.025 2.724 0.50 0.00 C ATOM 727 CG AASN A 26 -13.104 8.104 3.616 0.50 0.00 C ATOM 728 CG BASN A 26 -13.421 8.627 2.964 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.899 8.680 2.873 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.815 8.868 4.105 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.488 7.432 4.694 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.154 8.875 1.885 0.50 0.00 N ATOM 0 H AASN A 26 -9.266 8.418 2.403 0.50 0.00 H new ATOM 0 H BASN A 26 -9.350 8.410 2.440 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.906 8.033 1.208 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.728 8.613 0.682 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.196 7.140 3.491 0.50 0.00 H new ATOM 0 HB2BASN A 26 -12.162 6.983 2.424 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.126 8.800 4.049 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.486 8.029 3.657 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.478 7.378 4.935 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.084 9.282 1.983 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.794 6.970 5.281 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.787 8.659 0.958 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.593 10.375 0.886 0.50 0.00 N ATOM 746 N BHIS A 27 -12.220 10.984 1.346 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.013 11.752 0.649 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.344 12.423 1.549 0.50 0.00 C ATOM 749 C AHIS A 27 -13.964 12.226 1.743 0.50 0.00 C ATOM 750 C BHIS A 27 -13.097 12.728 2.840 0.50 0.00 C ATOM 751 O AHIS A 27 -14.444 13.361 1.712 0.50 0.00 O ATOM 752 O BHIS A 27 -12.833 13.732 3.501 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.686 11.873 -0.718 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.063 13.066 0.362 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.975 11.117 -0.820 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.345 12.386 -0.001 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.129 11.510 -0.177 0.50 0.00 N ATOM 758 ND1BHIS A 27 -14.396 11.192 -0.688 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.289 9.988 -1.497 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.632 12.739 0.232 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.098 10.652 -0.451 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.658 10.840 -0.863 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.613 9.720 -1.251 0.50 0.00 N ATOM 764 NE2BHIS A 27 -16.428 11.763 -0.313 0.50 0.00 N ATOM 0 H AHIS A 27 -13.091 9.680 0.330 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.911 10.587 0.710 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.126 12.385 0.666 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.341 12.841 1.628 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.874 12.926 -0.929 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.269 14.111 0.595 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.001 11.511 -1.485 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.399 13.057 -0.502 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.622 9.406 -2.116 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -15.969 13.624 0.751 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.112 10.705 -0.083 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -16.002 9.950 -1.369 0.50 0.00 H new ATOM 0 HE2AHIS A 27 -17.137 8.929 -1.626 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -17.448 11.752 -0.296 0.50 0.00 H new ATOM 779 N AILE A 28 -14.235 11.352 2.705 0.50 0.00 N ATOM 780 N BILE A 28 -14.036 11.854 3.192 0.50 0.00 N ATOM 781 CA AILE A 28 -15.130 11.682 3.808 0.50 0.00 C ATOM 782 CA BILE A 28 -14.824 12.030 4.403 0.50 0.00 C ATOM 783 C AILE A 28 -14.344 12.056 5.060 0.50 0.00 C ATOM 784 C BILE A 28 -13.966 11.848 5.650 0.50 0.00 C ATOM 785 O AILE A 28 -14.639 13.056 5.717 0.50 0.00 O ATOM 786 O BILE A 28 -14.213 12.470 6.684 0.50 0.00 O ATOM 787 CB AILE A 28 -16.072 10.511 4.138 0.50 0.00 C ATOM 788 CB BILE A 28 -16.003 11.042 4.457 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.906 10.135 2.910 0.50 0.00 C ATOM 790 CG1BILE A 28 -17.038 11.389 3.383 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.976 10.871 5.307 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.642 11.050 5.837 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.162 9.362 3.245 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.261 10.499 3.412 0.50 0.00 C ATOM 0 H AILE A 28 -13.848 10.409 2.744 0.50 0.00 H new ATOM 0 H BILE A 28 -14.268 11.018 2.655 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.725 12.537 3.487 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.214 13.048 4.379 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.468 9.649 4.422 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.624 10.039 4.261 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.181 11.044 2.375 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.350 12.425 3.512 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.293 9.540 2.233 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.569 11.317 2.402 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.636 10.032 5.528 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.474 10.346 5.857 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.367 11.094 6.183 0.50 0.00 H new ATOM 0 HG22BILE A 28 -15.902 10.759 6.582 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.574 11.745 5.049 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.009 12.051 6.062 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.702 9.130 2.327 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.951 10.802 2.624 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.894 8.435 3.753 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.961 9.463 3.253 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.796 9.963 3.897 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.754 10.589 4.380 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.340 11.247 5.386 0.50 0.00 N ATOM 818 N BTHR A 29 -12.955 10.991 5.545 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.512 11.495 6.559 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.058 10.728 6.664 0.50 0.00 C ATOM 821 C ATHR A 29 -11.098 11.901 6.157 0.50 0.00 C ATOM 822 C BTHR A 29 -10.859 11.668 6.643 0.50 0.00 C ATOM 823 O ATHR A 29 -10.211 12.014 7.003 0.50 0.00 O ATOM 824 O BTHR A 29 -10.320 12.025 7.689 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.437 10.250 7.465 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.555 9.272 6.649 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.929 9.135 6.725 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.762 9.041 5.477 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.809 9.909 8.029 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.720 8.295 6.680 0.50 0.00 C ATOM 0 H ATHR A 29 -13.081 10.416 4.854 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.737 10.468 4.697 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.979 12.311 7.110 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.632 10.898 7.575 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.765 10.471 8.294 0.50 0.00 H new ATOM 0 HB BTHR A 29 -10.946 9.112 7.538 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.883 8.349 7.308 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.530 8.091 5.421 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.732 9.027 8.665 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.339 7.274 6.669 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.180 10.749 8.616 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.304 8.454 7.586 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.499 9.706 7.210 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.353 8.456 5.807 0.50 0.00 H new ATOM 845 N AASN A 30 -10.896 12.120 4.862 0.50 0.00 N ATOM 846 N BASN A 30 -10.450 12.069 5.443 0.50 0.00 N ATOM 847 CA AASN A 30 -9.589 12.515 4.349 0.50 0.00 C ATOM 848 CA BASN A 30 -9.314 12.971 5.286 0.50 0.00 C ATOM 849 C AASN A 30 -8.481 11.666 4.967 0.50 0.00 C ATOM 850 C BASN A 30 -8.018 12.292 5.717 0.50 0.00 C ATOM 851 O AASN A 30 -7.355 12.127 5.140 0.50 0.00 O ATOM 852 O BASN A 30 -7.153 12.914 6.334 0.50 0.00 O ATOM 853 CB AASN A 30 -9.332 13.995 4.635 0.50 0.00 C ATOM 854 CB BASN A 30 -9.531 14.246 6.103 0.50 0.00 C ATOM 855 CG AASN A 30 -8.521 14.663 3.542 0.50 0.00 C ATOM 856 CG BASN A 30 -9.061 15.489 5.372 0.50 0.00 C ATOM 857 OD1AASN A 30 -8.897 15.717 3.030 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.753 16.506 5.349 0.50 0.00 O ATOM 859 ND2AASN A 30 -7.400 14.050 3.178 0.50 0.00 N ATOM 860 ND2BASN A 30 -7.880 15.409 4.769 0.50 0.00 N ATOM 0 H AASN A 30 -11.620 12.031 4.149 0.50 0.00 H new ATOM 0 H BASN A 30 -10.887 11.784 4.567 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.586 12.354 3.271 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.233 13.233 4.231 0.50 0.00 H new ATOM 0 HB2AASN A 30 -10.285 14.512 4.744 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.590 14.346 6.340 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.806 14.093 5.585 0.50 0.00 H new ATOM 0 HB3BASN A 30 -8.999 14.162 7.050 0.50 0.00 H new ATOM 0 HD21AASN A 30 -6.813 14.452 2.447 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.512 16.212 4.260 0.50 0.00 H new ATOM 0 HD22AASN A 30 -7.126 13.177 3.629 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.341 14.544 4.815 0.50 0.00 H new ATOM 873 N AALA A 31 -8.813 10.422 5.297 0.50 0.00 N ATOM 874 N BALA A 31 -7.887 11.010 5.386 0.50 0.00 N ATOM 875 CA AALA A 31 -7.848 9.508 5.894 0.50 0.00 C ATOM 876 CA BALA A 31 -6.695 10.248 5.735 0.50 0.00 C ATOM 877 C AALA A 31 -7.243 8.583 4.841 0.50 0.00 C ATOM 878 C BALA A 31 -6.537 9.033 4.829 0.50 0.00 C ATOM 879 O AALA A 31 -7.852 8.331 3.802 0.50 0.00 O ATOM 880 O BALA A 31 -7.517 8.369 4.487 0.50 0.00 O ATOM 881 CB AALA A 31 -8.503 8.694 6.999 0.50 0.00 C ATOM 882 CB BALA A 31 -6.753 9.818 7.192 0.50 0.00 C ATOM 0 H AALA A 31 -9.743 10.025 5.161 0.50 0.00 H new ATOM 0 H BALA A 31 -8.593 10.478 4.876 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.042 10.102 6.325 0.50 0.00 H new ATOM 0 HA BALA A 31 -5.827 10.891 5.592 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.769 8.016 7.435 0.50 0.00 H new ATOM 0 HB1BALA A 31 -5.856 9.250 7.440 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.880 9.365 7.770 0.50 0.00 H new ATOM 0 HB2BALA A 31 -6.811 10.700 7.830 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.329 8.117 6.585 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.633 9.196 7.353 0.50 0.00 H new ATOM 893 N ASER A 32 -6.043 8.084 5.119 0.50 0.00 N ATOM 894 N BSER A 32 -5.298 8.745 4.443 0.50 0.00 N ATOM 895 CA ASER A 32 -5.356 7.191 4.193 0.50 0.00 C ATOM 896 CA BSER A 32 -5.013 7.611 3.573 0.50 0.00 C ATOM 897 C ASER A 32 -4.837 5.952 4.916 0.50 0.00 C ATOM 898 C BSER A 32 -4.358 6.476 4.356 0.50 0.00 C ATOM 899 O ASER A 32 -4.386 6.032 6.058 0.50 0.00 O ATOM 900 O BSER A 32 -3.880 6.675 5.472 0.50 0.00 O ATOM 901 CB ASER A 32 -4.195 7.922 3.513 0.50 0.00 C ATOM 902 CB BSER A 32 -4.102 8.041 2.421 0.50 0.00 C ATOM 903 OG ASER A 32 -4.394 9.324 3.534 0.50 0.00 O ATOM 904 OG BSER A 32 -2.742 7.782 2.721 0.50 0.00 O ATOM 0 H ASER A 32 -5.527 8.282 5.976 0.50 0.00 H new ATOM 0 H BSER A 32 -4.476 9.282 4.719 0.50 0.00 H new ATOM 0 HA ASER A 32 -6.072 6.874 3.434 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.958 7.251 3.166 0.50 0.00 H new ATOM 0 HB2ASER A 32 -3.261 7.676 4.018 0.50 0.00 H new ATOM 0 HB2BSER A 32 -4.385 7.509 1.512 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.100 7.580 2.482 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.238 9.104 2.224 0.50 0.00 H new ATOM 0 HG ASER A 32 -4.534 9.648 2.620 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.181 8.064 1.968 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.903 4.808 4.241 0.50 0.00 N ATOM 916 N BGLN A 33 -4.342 5.287 3.761 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.442 3.552 4.822 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.747 4.121 4.402 0.50 0.00 C ATOM 919 C AGLN A 33 -3.764 2.684 3.767 0.50 0.00 C ATOM 920 C BGLN A 33 -3.652 2.953 3.427 0.50 0.00 C ATOM 921 O AGLN A 33 -3.895 2.930 2.567 0.50 0.00 O ATOM 922 O BGLN A 33 -4.587 2.684 2.672 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.614 2.795 5.448 0.50 0.00 C ATOM 924 CB BGLN A 33 -4.567 3.714 5.627 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.385 2.420 6.904 0.50 0.00 C ATOM 926 CG BGLN A 33 -5.993 3.304 5.296 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.561 2.779 7.791 0.50 0.00 C ATOM 928 CD BGLN A 33 -6.783 2.895 6.524 0.50 0.00 C ATOM 929 OE1AGLN A 33 -6.389 3.363 8.862 0.50 0.00 O ATOM 930 OE1BGLN A 33 -7.213 3.741 7.309 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.765 2.434 7.348 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.977 1.594 6.697 0.50 0.00 N ATOM 0 H AGLN A 33 -5.271 4.725 3.293 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.734 5.107 2.837 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.714 3.784 5.599 0.50 0.00 H new ATOM 0 HA BGLN A 33 -2.739 4.387 4.720 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.512 3.408 5.376 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -4.067 2.886 6.130 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.800 1.888 4.872 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -4.591 4.546 6.331 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -5.196 1.349 6.974 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -6.500 4.133 4.802 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -4.491 2.926 7.269 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -5.974 2.475 4.588 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.861 1.951 6.455 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.603 0.928 6.021 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.594 2.652 7.901 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.501 1.260 7.506 0.50 0.00 H new ATOM 949 N APHE A 34 -3.041 1.667 4.220 0.50 0.00 N ATOM 950 N BPHE A 34 -2.517 2.261 3.448 0.50 0.00 N ATOM 951 CA APHE A 34 -2.342 0.761 3.316 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.300 1.121 2.563 0.50 0.00 C ATOM 953 C APHE A 34 -2.906 -0.653 3.419 0.50 0.00 C ATOM 954 C BPHE A 34 -3.231 -0.032 2.927 0.50 0.00 C ATOM 955 O APHE A 34 -2.235 -1.626 3.075 0.50 0.00 O ATOM 956 O BPHE A 34 -3.708 -0.756 2.054 0.50 0.00 O ATOM 957 CB APHE A 34 -0.843 0.749 3.630 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.844 0.660 2.640 0.50 0.00 C ATOM 959 CG APHE A 34 -0.020 1.542 2.656 0.50 0.00 C ATOM 960 CG BPHE A 34 0.147 1.786 2.549 0.50 0.00 C ATOM 961 CD1APHE A 34 0.957 0.925 1.891 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.959 2.102 3.625 0.50 0.00 C ATOM 963 CD2APHE A 34 -0.223 2.904 2.503 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.265 2.530 1.384 0.50 0.00 C ATOM 965 CE1APHE A 34 1.716 1.652 0.994 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.871 3.135 3.544 0.50 0.00 C ATOM 967 CE2APHE A 34 0.531 3.635 1.607 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.176 3.565 1.297 0.50 0.00 C ATOM 969 CZ APHE A 34 1.504 3.009 0.852 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.980 3.869 2.379 0.50 0.00 C ATOM 0 H APHE A 34 -2.923 1.449 5.209 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.734 2.469 4.067 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.490 1.119 2.297 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.520 1.435 1.543 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.687 1.146 4.633 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.690 0.126 3.577 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.490 -0.282 3.637 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.652 -0.048 1.834 0.50 0.00 H new ATOM 0 HD1APHE A 34 1.127 -0.136 1.997 0.50 0.00 H new ATOM 0 HD1BPHE A 34 0.878 1.533 4.539 0.50 0.00 H new ATOM 0 HD2APHE A 34 -0.980 3.400 3.092 0.50 0.00 H new ATOM 0 HD2BPHE A 34 -0.362 2.298 0.536 0.50 0.00 H new ATOM 0 HE1APHE A 34 2.475 1.159 0.404 0.50 0.00 H new ATOM 0 HE1BPHE A 34 2.499 3.369 4.391 0.50 0.00 H new ATOM 0 HE2APHE A 34 0.360 4.696 1.496 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.260 4.136 0.384 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.097 3.579 0.153 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.692 4.679 2.314 0.50 0.00 H new ATOM 989 N AGLU A 35 -4.142 -0.757 3.894 0.50 0.00 N ATOM 990 N BGLU A 35 -3.482 -0.198 4.222 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.796 -2.052 4.043 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.353 -1.264 4.700 0.50 0.00 C ATOM 993 C AGLU A 35 -6.289 -1.944 3.751 0.50 0.00 C ATOM 994 C BGLU A 35 -5.815 -0.956 4.387 0.50 0.00 C ATOM 995 O AGLU A 35 -6.851 -0.849 3.726 0.50 0.00 O ATOM 996 O BGLU A 35 -6.209 0.206 4.299 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.580 -2.599 5.457 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.175 -1.464 6.206 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.196 -2.312 6.015 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.731 -1.358 6.667 0.50 0.00 C ATOM 1001 CD AGLU A 35 -3.089 -0.933 6.634 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.398 0.004 7.242 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -3.940 -0.598 7.484 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -1.413 0.618 6.781 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -2.155 -0.188 6.269 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -3.121 0.456 8.155 0.50 0.00 O ATOM 0 H AGLU A 35 -4.711 0.039 4.182 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.094 0.392 4.958 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.351 -2.739 3.324 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.074 -2.182 4.183 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -5.328 -2.168 6.123 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.772 -0.722 6.736 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -4.743 -3.677 5.450 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.565 -2.444 6.483 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.949 -3.063 6.766 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.537 -2.122 7.419 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.460 -2.405 5.216 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.069 -1.564 5.826 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.926 -3.090 3.530 0.50 0.00 N ATOM 1020 N BARG A 36 -6.611 -2.006 4.216 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.355 -3.125 3.237 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.029 -1.846 3.910 0.50 0.00 C ATOM 1023 C AARG A 36 -9.144 -2.349 4.285 0.50 0.00 C ATOM 1024 C BARG A 36 -8.837 -1.620 5.185 0.50 0.00 C ATOM 1025 O AARG A 36 -9.279 -2.769 5.436 0.50 0.00 O ATOM 1026 O BARG A 36 -8.928 -2.487 6.055 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.850 -4.571 3.178 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.554 -3.080 3.172 0.50 0.00 C ATOM 1029 CG AARG A 36 -10.183 -4.731 2.465 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.849 -2.833 2.418 0.50 0.00 C ATOM 1031 CD AARG A 36 -10.095 -4.289 1.013 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.524 -4.137 2.026 0.50 0.00 C ATOM 1033 NE AARG A 36 -9.005 -4.953 0.305 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.318 -4.458 0.615 0.50 0.00 N ATOM 1035 CZ AARG A 36 -9.089 -6.187 -0.182 0.50 0.00 C ATOM 1036 CZ BARG A 36 -9.247 -5.096 0.156 0.50 0.00 C ATOM 1037 NH1AARG A 36 -10.206 -6.887 -0.036 0.50 0.00 N ATOM 1038 NH1BARG A 36 -8.293 -5.481 0.990 0.50 0.00 N ATOM 1039 NH2AARG A 36 -8.052 -6.724 -0.815 0.50 0.00 N ATOM 1040 NH2BARG A 36 -9.133 -5.354 -1.141 0.50 0.00 N ATOM 0 H AARG A 36 -6.476 -4.005 3.548 0.50 0.00 H new ATOM 0 H BARG A 36 -6.300 -2.975 4.284 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.513 -2.654 2.267 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.142 -0.972 3.269 0.50 0.00 H new ATOM 0 HB2AARG A 36 -8.102 -5.182 2.673 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.794 -3.423 2.470 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.942 -4.956 4.194 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.710 -3.884 3.891 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.498 -5.773 2.511 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.525 -2.244 3.038 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.945 -4.145 2.979 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.644 -2.245 1.523 0.50 0.00 H new ATOM 0 HD2AARG A 36 -11.038 -4.504 0.511 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.134 -4.947 2.643 0.50 0.00 H new ATOM 0 HD3AARG A 36 -9.950 -3.209 0.971 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.593 -4.068 2.230 0.50 0.00 H new ATOM 0 HE AARG A 36 -8.131 -4.442 0.177 0.50 0.00 H new ATOM 0 HE BARG A 36 -11.035 -4.177 -0.053 0.50 0.00 H new ATOM 0 HH11AARG A 36 -11.004 -6.479 0.451 0.50 0.00 H new ATOM 0 HH11BARG A 36 -8.379 -5.288 1.988 0.50 0.00 H new ATOM 0 HH12AARG A 36 -10.267 -7.834 -0.411 0.50 0.00 H new ATOM 0 HH12BARG A 36 -7.472 -5.971 0.635 0.50 0.00 H new ATOM 0 HH21AARG A 36 -7.191 -6.189 -0.928 0.50 0.00 H new ATOM 0 HH21BARG A 36 -9.868 -5.062 -1.786 0.50 0.00 H new ATOM 0 HH22AARG A 36 -8.117 -7.671 -1.188 0.50 0.00 H new ATOM 0 HH22BARG A 36 -8.311 -5.844 -1.493 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.679 -1.186 3.885 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.441 -0.427 5.297 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.465 -0.326 4.774 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.253 -0.059 6.461 0.50 0.00 C ATOM 1071 C APRO A 37 -11.815 -0.937 5.129 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.563 -0.835 6.523 0.50 0.00 C ATOM 1073 O APRO A 37 -12.692 -1.067 4.275 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.286 -0.933 5.532 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.655 0.953 3.956 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.526 1.433 6.243 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.546 0.513 2.536 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.420 1.628 4.771 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.560 -0.621 2.529 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.376 0.652 4.299 0.50 0.00 C ATOM 0 HA APRO A 37 -9.966 -0.166 5.730 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.746 -0.283 7.399 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.624 1.411 4.156 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.514 1.712 6.609 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.895 1.696 4.200 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.803 2.050 6.777 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.514 0.191 2.152 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.377 1.443 4.283 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.206 1.330 1.899 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.133 2.652 4.532 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.802 -1.359 1.764 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.593 0.285 3.296 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.547 -0.272 2.327 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.387 1.108 4.264 0.50 0.00 H new ATOM 1095 N ASER A 38 -11.978 -1.312 6.394 0.50 0.00 N ATOM 1096 N BSER A 38 -11.863 -1.387 7.695 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.221 -1.914 6.860 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.084 -2.161 7.886 0.50 0.00 C ATOM 1099 C ASER A 38 -14.300 -0.851 7.049 0.50 0.00 C ATOM 1100 C BSER A 38 -13.931 -1.569 9.010 0.50 0.00 C ATOM 1101 O ASER A 38 -14.085 0.325 6.770 0.50 0.00 O ATOM 1102 O BSER A 38 -14.209 -2.234 10.007 0.50 0.00 O ATOM 1103 CB ASER A 38 -12.989 -2.661 8.174 0.50 0.00 C ATOM 1104 CB BSER A 38 -12.748 -3.618 8.197 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.122 -3.436 8.527 0.50 0.00 O ATOM 1106 OG BSER A 38 -12.142 -3.741 9.473 0.50 0.00 O ATOM 0 H ASER A 38 -11.264 -1.209 7.115 0.50 0.00 H new ATOM 0 H BSER A 38 -11.277 -1.312 8.526 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.560 -2.622 6.104 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.659 -2.120 6.961 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.117 -3.308 8.079 0.50 0.00 H new ATOM 0 HB2BSER A 38 -13.657 -4.219 8.163 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.771 -1.947 8.968 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.077 -4.011 7.433 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.948 -3.905 9.370 0.50 0.00 H new ATOM 0 HG BSER A 38 -12.737 -3.365 10.155 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.466 -1.280 7.526 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.339 -0.316 8.839 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.563 -0.356 7.744 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.148 0.345 9.846 0.50 0.00 C ATOM 1121 C AGLY A 39 -17.083 -0.398 9.168 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.627 0.052 9.685 0.50 0.00 C ATOM 1123 O AGLY A 39 -17.127 0.625 9.851 0.50 0.00 O ATOM 1124 O BGLY A 39 -17.291 -0.243 10.677 0.50 0.00 O ATOM 0 H AGLY A 39 -15.669 -2.251 7.765 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.124 0.254 8.021 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -16.233 0.656 7.511 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -14.823 0.025 10.836 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.375 -0.593 7.057 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -14.986 1.421 9.789 0.50 0.00 H new