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= -0.0699 K(o=-4.3,f=-14!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -0.554 K(o=-4.3,f=-13!) USER MOD Set 1.3: A 27 HIS A: no HE2:sc= -1.69 K(o=-4.3,f=-3.1) USER MOD Set 1.4: A 29 THR OG1A: rot -53:sc= 0.103 USER MOD Set 1.5: A 29 THR OG1B: rot 180:sc= -2.09 USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ -136:sc= -0.548 (180deg=-3.27!) USER MOD Single : A 15 MET CE A:methyl -168:sc= 0 (180deg=-0.11) USER MOD Single : A 15 MET CE B:methyl -146:sc= 0 (180deg=-0.4) USER MOD Single : A 16 SER OG A: rot -107:sc= 1.33 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= 0.0797 X(o=0.08,f=0) USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.155 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS B: no HD1:sc= -2.27 X(o=-2.3,f=-2.6) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.604 K(o=0.6,f=-0.04) USER MOD Single : A 32 SER OG A: rot -0:sc= -0.0777 USER MOD Single : A 32 SER OG B: rot -11:sc= 0.312 USER MOD Single : A 33 GLN A: amide:sc= -0.977 K(o=-0.98,f=-4.1!) USER MOD Single : A 33 GLN B: amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.0205 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.237 USER MOD ----------------------------------------------------------------- ATOM 67 N ALEU A 7 -15.426 -2.455 -0.079 0.20 0.00 N ATOM 68 N BLEU A 7 -15.069 -2.942 -0.854 0.80 0.00 N ATOM 69 CA ALEU A 7 -15.164 -1.359 0.847 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.572 -1.894 0.030 0.80 0.00 C ATOM 71 C ALEU A 7 -16.452 -0.615 1.188 0.20 0.00 C ATOM 72 C BLEU A 7 -15.720 -1.059 0.586 0.80 0.00 C ATOM 73 O ALEU A 7 -17.397 -0.569 0.400 0.20 0.00 O ATOM 74 O BLEU A 7 -16.784 -0.940 -0.022 0.80 0.00 O ATOM 75 CB ALEU A 7 -14.145 -0.390 0.246 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.586 -0.993 -0.719 0.80 0.00 C ATOM 77 CG ALEU A 7 -13.146 -0.993 -0.742 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.104 -1.315 -0.529 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.325 0.102 -1.407 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.835 -2.784 -0.809 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.237 -1.991 -0.040 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.246 -0.432 -1.424 0.80 0.00 C ATOM 0 HA ALEU A 7 -14.756 -1.781 1.765 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.058 -2.371 0.865 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.688 0.409 -0.259 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.815 -1.044 -1.784 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.586 0.070 1.061 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.756 0.037 -0.406 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.704 -1.521 -1.515 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.839 -1.111 0.509 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.620 -0.346 -2.107 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.775 -2.993 -0.668 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.989 0.779 -1.945 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.420 -3.398 -0.124 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.777 0.659 -0.647 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.117 -3.016 -1.836 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.533 -2.410 -0.759 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.194 -0.676 -1.275 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.687 -1.486 0.755 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.514 -0.602 -2.467 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.839 -2.793 0.388 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.415 0.615 -1.172 0.80 0.00 H new ATOM 105 N APRO A 8 -16.490 -0.017 2.388 0.20 0.00 N ATOM 106 N BPRO A 8 -15.500 -0.463 1.768 0.80 0.00 N ATOM 107 CA APRO A 8 -17.655 0.737 2.858 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.505 0.374 2.429 0.80 0.00 C ATOM 109 C APRO A 8 -17.849 2.042 2.094 0.20 0.00 C ATOM 110 C BPRO A 8 -16.736 1.692 1.699 0.80 0.00 C ATOM 111 O APRO A 8 -17.027 2.430 1.264 0.20 0.00 O ATOM 112 O BPRO A 8 -15.933 2.118 0.868 0.80 0.00 O ATOM 113 CB APRO A 8 -17.324 1.021 4.326 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.898 0.630 3.813 0.80 0.00 C ATOM 115 CG APRO A 8 -15.836 0.988 4.393 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.428 0.486 3.612 0.80 0.00 C ATOM 117 CD APRO A 8 -15.400 -0.032 3.377 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.255 -0.561 2.547 0.80 0.00 C ATOM 0 HA APRO A 8 -18.583 0.184 2.714 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.482 -0.109 2.457 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.713 1.990 4.639 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.152 1.625 4.179 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.766 0.273 4.983 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.270 -0.085 4.547 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.413 1.967 4.169 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.982 1.432 3.305 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.496 0.714 5.392 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.935 0.187 4.537 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.444 0.234 2.925 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.378 -0.365 1.930 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.278 -1.018 3.825 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.127 -1.554 2.977 0.80 0.00 H new ATOM 133 N APRO A 9 -18.959 2.737 2.380 0.20 0.00 N ATOM 134 N BPRO A 9 -17.859 2.354 2.012 0.80 0.00 N ATOM 135 CA APRO A 9 -19.286 4.010 1.730 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.220 3.635 1.395 0.80 0.00 C ATOM 137 C APRO A 9 -18.353 5.136 2.161 0.20 0.00 C ATOM 138 C BPRO A 9 -17.308 4.772 1.843 0.80 0.00 C ATOM 139 O APRO A 9 -18.652 5.882 3.092 0.20 0.00 O ATOM 140 O BPRO A 9 -16.877 4.818 2.994 0.80 0.00 O ATOM 141 CB APRO A 9 -20.716 4.291 2.198 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.651 3.873 1.885 0.80 0.00 C ATOM 143 CG APRO A 9 -20.841 3.562 3.491 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.746 3.111 3.162 0.80 0.00 C ATOM 145 CD APRO A 9 -19.983 2.335 3.360 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.863 1.907 2.992 0.80 0.00 C ATOM 0 HA APRO A 9 -19.182 3.953 0.646 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.125 3.606 0.310 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.887 5.360 2.328 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.844 4.934 2.042 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.447 3.937 1.471 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.382 3.520 1.158 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.509 4.183 4.323 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.418 3.719 4.005 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.879 3.293 3.688 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.775 2.815 3.364 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.537 2.053 4.314 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.401 1.612 3.934 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.559 1.478 3.011 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.424 1.046 2.628 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.219 5.255 1.473 0.20 0.00 N ATOM 162 N BGLY A 10 -17.018 5.688 0.923 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.260 6.295 1.801 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.158 6.812 1.241 0.80 0.00 C ATOM 165 C AGLY A 10 -14.826 5.832 1.629 0.20 0.00 C ATOM 166 C BGLY A 10 -14.707 6.549 0.895 0.80 0.00 C ATOM 167 O AGLY A 10 -13.934 6.277 2.353 0.20 0.00 O ATOM 168 O BGLY A 10 -13.963 7.474 0.570 0.80 0.00 O ATOM 0 H AGLY A 10 -16.949 4.651 0.697 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.364 5.671 -0.036 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.438 7.163 1.166 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.503 7.693 0.700 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.414 6.617 2.831 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.239 7.038 2.304 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.604 4.941 0.671 0.20 0.00 N ATOM 176 N BTRP A 11 -14.302 5.287 0.966 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.268 4.418 0.408 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.929 4.906 0.659 0.80 0.00 C ATOM 179 C ATRP A 11 -13.146 3.936 -1.033 0.20 0.00 C ATOM 180 C BTRP A 11 -12.769 4.594 -0.824 0.80 0.00 C ATOM 181 O ATRP A 11 -13.854 3.021 -1.453 0.20 0.00 O ATOM 182 O BTRP A 11 -13.688 4.081 -1.462 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.947 3.275 1.371 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.515 3.693 1.495 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.546 3.743 2.738 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.556 3.947 2.970 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.346 3.829 3.841 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.653 3.875 3.783 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.249 4.190 3.142 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.457 4.316 3.810 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.621 4.303 4.908 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.299 4.177 5.077 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.333 4.533 4.507 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.956 4.450 5.119 0.80 0.00 C ATOM 195 CE3ATRP A 11 -10.022 4.333 2.487 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.095 4.544 3.582 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.237 5.009 5.223 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.146 4.803 6.195 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.937 4.807 3.200 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.293 4.895 4.649 0.80 0.00 C ATOM 201 CH2ATRP A 11 -9.052 5.140 4.556 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.818 5.021 5.942 0.80 0.00 C ATOM 0 H ATRP A 11 -15.331 4.565 0.063 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.905 4.509 1.234 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.552 5.225 0.563 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.282 5.747 0.906 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.819 2.627 1.458 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.173 2.857 1.259 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -12.142 2.671 0.951 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.506 3.394 1.213 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.393 3.564 3.871 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.650 3.619 3.457 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.985 4.458 5.848 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.933 4.195 5.876 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.924 4.078 1.442 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.679 4.447 2.590 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.321 5.265 6.269 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.550 4.901 7.192 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.985 4.923 2.704 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.241 5.076 4.484 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.185 5.508 5.085 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.162 5.295 6.755 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.243 4.556 -1.786 0.20 0.00 N ATOM 224 N BGLU A 12 -11.598 4.907 -1.369 0.80 0.00 N ATOM 225 CA AGLU A 12 -12.030 4.189 -3.182 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.321 4.660 -2.779 0.80 0.00 C ATOM 227 C AGLU A 12 -10.623 3.632 -3.389 0.20 0.00 C ATOM 228 C BGLU A 12 -9.958 3.995 -2.957 0.80 0.00 C ATOM 229 O AGLU A 12 -9.702 3.944 -2.633 0.20 0.00 O ATOM 230 O BGLU A 12 -9.008 4.294 -2.234 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.251 5.400 -4.091 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.366 5.970 -3.568 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.970 6.138 -4.443 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.213 5.891 -4.829 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.309 5.597 -5.695 0.20 0.00 C ATOM 236 CD BGLU A 12 -12.032 4.583 -5.572 0.80 0.00 C ATOM 237 OE1AGLU A 12 -10.907 4.714 -6.344 0.20 0.00 O ATOM 238 OE1BGLU A 12 -12.969 3.757 -5.555 0.80 0.00 O ATOM 239 OE2AGLU A 12 -9.198 6.057 -6.025 0.20 0.00 O ATOM 240 OE2BGLU A 12 -10.955 4.384 -6.171 0.80 0.00 O ATOM 0 H AGLU A 12 -11.647 5.314 -1.453 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.826 5.332 -0.856 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.751 3.414 -3.442 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.089 3.987 -3.161 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.735 5.070 -5.010 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -11.758 6.758 -2.926 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.936 6.092 -3.601 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.350 6.256 -3.840 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.192 7.196 -4.582 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.264 6.012 -4.565 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.273 6.065 -3.608 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -11.953 6.718 -5.489 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.465 2.808 -4.417 0.20 0.00 N ATOM 254 N BLYS A 13 -9.870 3.088 -3.926 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.173 2.208 -4.728 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.627 2.380 -4.201 0.80 0.00 C ATOM 257 C ALYS A 13 -8.283 3.192 -5.480 0.20 0.00 C ATOM 258 C BLYS A 13 -7.792 3.129 -5.233 0.80 0.00 C ATOM 259 O ALYS A 13 -8.588 3.586 -6.606 0.20 0.00 O ATOM 260 O BLYS A 13 -8.243 3.371 -6.354 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.364 0.938 -5.561 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.922 0.963 -4.699 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.310 -0.123 -5.298 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.691 0.220 -5.183 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.822 -1.513 -5.640 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.053 -1.130 -5.778 0.80 0.00 C ATOM 267 CE ALYS A 13 -8.033 -2.592 -4.917 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.171 -2.199 -4.701 0.80 0.00 C ATOM 269 NZ ALYS A 13 -6.654 -2.735 -5.467 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.933 -3.018 -4.593 0.80 0.00 N ATOM 0 H ALYS A 13 -11.217 2.539 -5.051 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.647 2.827 -4.534 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.686 1.949 -3.788 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.059 2.321 -3.273 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.349 0.520 -5.352 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.387 0.394 -3.894 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.348 1.201 -6.619 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.647 1.016 -5.511 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.419 0.093 -5.888 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.173 0.821 -5.930 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -8.013 -0.091 -4.250 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.000 0.079 -4.352 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.876 -1.590 -5.371 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.996 -1.050 -6.318 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.755 -1.672 -6.716 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.295 -1.425 -6.503 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -7.977 -2.351 -3.855 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.378 -1.726 -3.741 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -8.558 -3.544 -5.001 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -9.017 -2.848 -4.925 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -6.149 -3.481 -4.947 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.188 -4.023 -4.511 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -6.707 -2.990 -6.474 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.349 -2.877 -5.442 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -6.144 -1.835 -5.364 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.397 -2.727 -3.751 0.80 0.00 H new ATOM 297 N AARG A 14 -7.181 3.586 -4.851 0.20 0.00 N ATOM 298 N BARG A 14 -6.571 3.492 -4.851 0.80 0.00 N ATOM 299 CA AARG A 14 -6.246 4.524 -5.461 0.20 0.00 C ATOM 300 CA BARG A 14 -5.674 4.214 -5.744 0.80 0.00 C ATOM 301 C AARG A 14 -4.914 3.845 -5.763 0.20 0.00 C ATOM 302 C BARG A 14 -4.331 3.496 -5.863 0.80 0.00 C ATOM 303 O AARG A 14 -4.543 2.866 -5.116 0.20 0.00 O ATOM 304 O BARG A 14 -4.039 2.579 -5.096 0.80 0.00 O ATOM 305 CB AARG A 14 -6.020 5.724 -4.540 0.20 0.00 C ATOM 306 CB BARG A 14 -5.457 5.642 -5.242 0.80 0.00 C ATOM 307 CG AARG A 14 -6.673 7.004 -5.036 0.20 0.00 C ATOM 308 CG BARG A 14 -6.747 6.425 -5.058 0.80 0.00 C ATOM 309 CD AARG A 14 -5.767 8.208 -4.829 0.20 0.00 C ATOM 310 CD BARG A 14 -6.913 7.487 -6.132 0.80 0.00 C ATOM 311 NE AARG A 14 -5.718 9.065 -6.011 0.20 0.00 N ATOM 312 NE BARG A 14 -5.786 8.417 -6.161 0.80 0.00 N ATOM 313 CZ AARG A 14 -4.833 10.042 -6.172 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.756 9.511 -6.914 0.80 0.00 C ATOM 315 NH1AARG A 14 -3.929 10.285 -5.235 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.783 9.811 -7.695 0.80 0.00 N ATOM 317 NH2AARG A 14 -4.851 10.780 -7.277 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.694 10.308 -6.885 0.80 0.00 N ATOM 0 H AARG A 14 -6.913 3.270 -3.919 0.20 0.00 H new ATOM 0 H BARG A 14 -6.181 3.297 -3.929 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.679 4.871 -6.399 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.137 4.250 -6.730 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.408 5.489 -3.549 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.924 5.607 -4.292 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.948 5.891 -4.431 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.817 6.173 -5.947 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.912 6.905 -6.095 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.596 5.742 -5.087 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.615 7.161 -4.510 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.750 6.896 -4.075 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.122 8.787 -3.976 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.011 7.006 -7.105 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.761 7.867 -4.586 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.835 8.040 -5.955 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.400 8.904 -6.752 0.20 0.00 H new ATOM 0 HE BARG A 14 -4.979 8.215 -5.571 0.80 0.00 H new ATOM 0 HH11AARG A 14 -3.911 9.721 -4.386 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.600 9.201 -7.720 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.251 11.036 -5.363 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.757 10.652 -8.272 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.545 10.596 -8.002 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.902 10.080 -6.285 0.80 0.00 H new ATOM 0 HH22AARG A 14 -4.171 11.530 -7.400 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.671 11.148 -7.463 0.80 0.00 H new ATOM 345 N AMET A 15 -4.199 4.371 -6.752 0.20 0.00 N ATOM 346 N BMET A 15 -3.522 3.920 -6.828 0.80 0.00 N ATOM 347 CA AMET A 15 -2.906 3.815 -7.141 0.20 0.00 C ATOM 348 CA BMET A 15 -2.212 3.317 -7.046 0.80 0.00 C ATOM 349 C AMET A 15 -1.780 4.796 -6.835 0.20 0.00 C ATOM 350 C BMET A 15 -1.140 4.391 -7.195 0.80 0.00 C ATOM 351 O AMET A 15 -2.022 5.906 -6.361 0.20 0.00 O ATOM 352 O BMET A 15 -1.308 5.352 -7.947 0.80 0.00 O ATOM 353 CB AMET A 15 -2.906 3.464 -8.630 0.20 0.00 C ATOM 354 CB BMET A 15 -2.237 2.429 -8.290 0.80 0.00 C ATOM 355 CG AMET A 15 -2.095 2.223 -8.960 0.20 0.00 C ATOM 356 CG BMET A 15 -0.863 1.934 -8.710 0.80 0.00 C ATOM 357 SD AMET A 15 -0.712 2.567 -10.064 0.20 0.00 S ATOM 358 SD BMET A 15 -0.917 0.306 -9.485 0.80 0.00 S ATOM 359 CE AMET A 15 -0.165 0.906 -10.452 0.20 0.00 C ATOM 360 CE BMET A 15 0.781 0.136 -10.033 0.80 0.00 C ATOM 0 H AMET A 15 -4.492 5.181 -7.299 0.20 0.00 H new ATOM 0 H BMET A 15 -3.750 4.678 -7.471 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.738 2.907 -6.562 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.971 2.705 -6.177 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.934 3.315 -8.960 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.881 1.570 -8.101 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.509 4.308 -9.194 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.682 2.986 -9.115 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.717 1.785 -8.036 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.421 2.648 -9.405 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.746 1.481 -9.421 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.213 1.895 -7.836 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.805 0.949 -10.948 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.807 -0.422 -10.969 0.80 0.00 H new ATOM 0 HE2AMET A 15 -0.077 0.328 -9.532 0.20 0.00 H new ATOM 0 HE2BMET A 15 1.214 1.124 -10.188 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.890 0.429 -11.112 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.356 -0.398 -9.276 0.80 0.00 H new ATOM 379 N ASER A 16 -0.548 4.379 -7.110 0.20 0.00 N ATOM 380 N BSER A 16 -0.036 4.224 -6.473 0.80 0.00 N ATOM 381 CA ASER A 16 0.617 5.221 -6.862 0.20 0.00 C ATOM 382 CA BSER A 16 1.064 5.179 -6.521 0.80 0.00 C ATOM 383 C ASER A 16 1.214 5.724 -8.171 0.20 0.00 C ATOM 384 C BSER A 16 1.582 5.340 -7.947 0.80 0.00 C ATOM 385 O ASER A 16 0.831 5.277 -9.252 0.20 0.00 O ATOM 386 O BSER A 16 1.206 4.583 -8.845 0.80 0.00 O ATOM 387 CB ASER A 16 1.674 4.445 -6.072 0.20 0.00 C ATOM 388 CB BSER A 16 2.199 4.731 -5.601 0.80 0.00 C ATOM 389 OG ASER A 16 1.824 3.128 -6.576 0.20 0.00 O ATOM 390 OG BSER A 16 2.767 5.834 -4.916 0.80 0.00 O ATOM 0 H ASER A 16 -0.331 3.464 -7.504 0.20 0.00 H new ATOM 0 H BSER A 16 0.120 3.434 -5.847 0.80 0.00 H new ATOM 0 HA ASER A 16 0.293 6.082 -6.277 0.20 0.00 H new ATOM 0 HA BSER A 16 0.689 6.143 -6.178 0.80 0.00 H new ATOM 0 HB2ASER A 16 2.629 4.969 -6.124 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.822 4.006 -4.880 0.80 0.00 H new ATOM 0 HB3ASER A 16 1.390 4.405 -5.020 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.968 4.227 -6.186 0.80 0.00 H new ATOM 0 HG ASER A 16 1.429 2.490 -5.946 0.20 0.00 H new ATOM 0 HG BSER A 16 3.489 5.520 -4.333 0.80 0.00 H new ATOM 401 N AARG A 17 2.153 6.658 -8.066 0.20 0.00 N ATOM 402 N BARG A 17 2.444 6.331 -8.149 0.80 0.00 N ATOM 403 CA AARG A 17 2.803 7.224 -9.242 0.20 0.00 C ATOM 404 CA BARG A 17 3.012 6.592 -9.466 0.80 0.00 C ATOM 405 C AARG A 17 4.317 7.042 -9.168 0.20 0.00 C ATOM 406 C BARG A 17 4.531 6.439 -9.442 0.80 0.00 C ATOM 407 O AARG A 17 4.978 6.834 -10.184 0.20 0.00 O ATOM 408 O BARG A 17 5.151 6.146 -10.462 0.80 0.00 O ATOM 409 CB AARG A 17 2.463 8.710 -9.374 0.20 0.00 C ATOM 410 CB BARG A 17 2.638 7.999 -9.937 0.80 0.00 C ATOM 411 CG AARG A 17 3.120 9.382 -10.568 0.20 0.00 C ATOM 412 CG BARG A 17 3.380 8.440 -11.187 0.80 0.00 C ATOM 413 CD AARG A 17 3.101 10.897 -10.436 0.20 0.00 C ATOM 414 CD BARG A 17 3.017 9.864 -11.577 0.80 0.00 C ATOM 415 NE AARG A 17 2.225 11.522 -11.425 0.20 0.00 N ATOM 416 NE BARG A 17 1.575 10.089 -11.547 0.80 0.00 N ATOM 417 CZ AARG A 17 0.907 11.616 -11.282 0.20 0.00 C ATOM 418 CZ BARG A 17 1.020 11.295 -11.496 0.80 0.00 C ATOM 419 NH1AARG A 17 0.317 11.130 -10.200 0.20 0.00 N ATOM 420 NH1BARG A 17 1.783 12.380 -11.472 0.80 0.00 N ATOM 421 NH2AARG A 17 0.178 12.199 -12.225 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.301 11.420 -11.472 0.80 0.00 N ATOM 0 H AARG A 17 2.481 7.039 -7.178 0.20 0.00 H new ATOM 0 H BARG A 17 2.764 6.966 -7.418 0.80 0.00 H new ATOM 0 HA AARG A 17 2.433 6.694 -10.120 0.20 0.00 H new ATOM 0 HA BARG A 17 2.601 5.862 -10.163 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.382 8.821 -9.455 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.566 8.035 -10.129 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.769 9.226 -8.464 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.842 8.708 -9.135 0.80 0.00 H new ATOM 0 HG2AARG A 17 4.150 9.037 -10.660 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.454 8.371 -11.017 0.80 0.00 H new ATOM 0 HG3AARG A 17 2.603 9.089 -11.482 0.20 0.00 H new ATOM 0 HG3BARG A 17 3.143 7.765 -12.009 0.80 0.00 H new ATOM 0 HD2AARG A 17 2.769 11.169 -9.434 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.507 10.562 -10.898 0.80 0.00 H new ATOM 0 HD3AARG A 17 4.113 11.284 -10.553 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.396 10.074 -12.577 0.80 0.00 H new ATOM 0 HE AARG A 17 2.648 11.907 -12.270 0.20 0.00 H new ATOM 0 HE BARG A 17 0.960 9.276 -11.566 0.80 0.00 H new ATOM 0 HH11AARG A 17 0.875 10.682 -9.473 0.20 0.00 H new ATOM 0 HH11BARG A 17 2.799 12.290 -11.493 0.80 0.00 H new ATOM 0 HH12AARG A 17 -0.695 11.204 -10.094 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.354 13.304 -11.433 0.80 0.00 H new ATOM 0 HH21AARG A 17 0.629 12.575 -13.059 0.20 0.00 H new ATOM 0 HH21BARG A 17 -0.892 10.589 -11.493 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.834 12.271 -12.116 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.725 12.347 -11.433 0.80 0.00 H new ATOM 449 N AASN A 18 4.859 7.123 -7.958 0.20 0.00 N ATOM 450 N BASN A 18 5.124 6.641 -8.269 0.80 0.00 N ATOM 451 CA AASN A 18 6.294 6.969 -7.751 0.20 0.00 C ATOM 452 CA BASN A 18 6.568 6.527 -8.113 0.80 0.00 C ATOM 453 C AASN A 18 6.592 5.734 -6.906 0.20 0.00 C ATOM 454 C BASN A 18 6.990 5.065 -8.006 0.80 0.00 C ATOM 455 O AASN A 18 7.302 5.810 -5.904 0.20 0.00 O ATOM 456 O BASN A 18 7.886 4.613 -8.718 0.80 0.00 O ATOM 457 CB AASN A 18 6.870 8.214 -7.074 0.20 0.00 C ATOM 458 CB BASN A 18 7.031 7.295 -6.871 0.80 0.00 C ATOM 459 CG AASN A 18 8.306 8.481 -7.479 0.20 0.00 C ATOM 460 CG BASN A 18 8.535 7.477 -6.832 0.80 0.00 C ATOM 461 OD1AASN A 18 8.629 9.554 -7.992 0.20 0.00 O ATOM 462 OD1BASN A 18 9.215 6.928 -5.966 0.80 0.00 O ATOM 463 ND2AASN A 18 9.177 7.505 -7.253 0.20 0.00 N ATOM 464 ND2BASN A 18 9.062 8.253 -7.774 0.80 0.00 N ATOM 0 H AASN A 18 4.326 7.294 -7.105 0.20 0.00 H new ATOM 0 H BASN A 18 4.625 6.884 -7.413 0.80 0.00 H new ATOM 0 HA AASN A 18 6.765 6.843 -8.726 0.20 0.00 H new ATOM 0 HA BASN A 18 7.039 6.959 -8.996 0.80 0.00 H new ATOM 0 HB2AASN A 18 6.257 9.079 -7.328 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.549 8.272 -6.851 0.80 0.00 H new ATOM 0 HB3AASN A 18 6.817 8.093 -5.992 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.709 6.762 -5.976 0.80 0.00 H new ATOM 0 HD21AASN A 18 10.157 7.628 -7.506 0.20 0.00 H new ATOM 0 HD21BASN A 18 10.069 8.413 -7.798 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.866 6.633 -6.826 0.20 0.00 H new ATOM 0 HD22BASN A 18 8.459 8.688 -8.472 0.80 0.00 H new ATOM 477 N ASER A 19 6.045 4.595 -7.319 0.20 0.00 N ATOM 478 N BSER A 19 6.338 4.330 -7.112 0.80 0.00 N ATOM 479 CA ASER A 19 6.249 3.344 -6.599 0.20 0.00 C ATOM 480 CA BSER A 19 6.647 2.919 -6.909 0.80 0.00 C ATOM 481 C ASER A 19 5.599 2.178 -7.340 0.20 0.00 C ATOM 482 C BSER A 19 5.584 2.033 -7.553 0.80 0.00 C ATOM 483 O ASER A 19 6.286 1.321 -7.894 0.20 0.00 O ATOM 484 O BSER A 19 5.872 1.272 -8.477 0.80 0.00 O ATOM 485 CB ASER A 19 5.676 3.446 -5.185 0.20 0.00 C ATOM 486 CB BSER A 19 6.748 2.607 -5.415 0.80 0.00 C ATOM 487 OG ASER A 19 6.694 3.292 -4.209 0.20 0.00 O ATOM 488 OG BSER A 19 5.542 2.931 -4.743 0.80 0.00 O ATOM 0 H ASER A 19 5.457 4.513 -8.149 0.20 0.00 H new ATOM 0 H BSER A 19 5.592 4.688 -6.516 0.80 0.00 H new ATOM 0 HA ASER A 19 7.322 3.160 -6.537 0.20 0.00 H new ATOM 0 HA BSER A 19 7.606 2.711 -7.382 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.187 4.412 -5.056 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.973 1.550 -5.276 0.80 0.00 H new ATOM 0 HB3ASER A 19 4.913 2.681 -5.043 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.574 3.169 -4.978 0.80 0.00 H new ATOM 0 HG ASER A 19 6.302 3.363 -3.314 0.20 0.00 H new ATOM 0 HG BSER A 19 5.632 2.721 -3.790 0.80 0.00 H new ATOM 499 N AGLY A 20 4.270 2.155 -7.345 0.20 0.00 N ATOM 500 N BGLY A 20 4.355 2.136 -7.058 0.80 0.00 N ATOM 501 CA AGLY A 20 3.549 1.093 -8.019 0.20 0.00 C ATOM 502 CA BGLY A 20 3.269 1.339 -7.597 0.80 0.00 C ATOM 503 C AGLY A 20 2.564 0.389 -7.107 0.20 0.00 C ATOM 504 C BGLY A 20 2.557 0.534 -6.529 0.80 0.00 C ATOM 505 O AGLY A 20 1.513 -0.072 -7.554 0.20 0.00 O ATOM 506 O BGLY A 20 2.035 -0.548 -6.802 0.80 0.00 O ATOM 0 H AGLY A 20 3.680 2.854 -6.894 0.20 0.00 H new ATOM 0 H BGLY A 20 4.092 2.757 -6.293 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.015 1.507 -8.874 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.552 1.994 -8.092 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.261 0.366 -8.409 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.661 0.663 -8.357 0.80 0.00 H new ATOM 513 N AARG A 21 2.903 0.307 -5.825 0.20 0.00 N ATOM 514 N BARG A 21 2.533 1.060 -5.309 0.80 0.00 N ATOM 515 CA AARG A 21 2.042 -0.348 -4.847 0.20 0.00 C ATOM 516 CA BARG A 21 1.882 0.381 -4.195 0.80 0.00 C ATOM 517 C AARG A 21 0.646 0.268 -4.854 0.20 0.00 C ATOM 518 C BARG A 21 0.424 0.812 -4.075 0.80 0.00 C ATOM 519 O AARG A 21 0.375 1.207 -5.602 0.20 0.00 O ATOM 520 O BARG A 21 0.123 2.002 -3.990 0.80 0.00 O ATOM 521 CB AARG A 21 2.650 -0.244 -3.448 0.20 0.00 C ATOM 522 CB BARG A 21 2.622 0.673 -2.888 0.80 0.00 C ATOM 523 CG AARG A 21 4.111 -0.659 -3.387 0.20 0.00 C ATOM 524 CG BARG A 21 3.523 -0.463 -2.432 0.80 0.00 C ATOM 525 CD AARG A 21 4.624 -0.682 -1.954 0.20 0.00 C ATOM 526 CD BARG A 21 4.771 0.062 -1.737 0.80 0.00 C ATOM 527 NE AARG A 21 4.231 0.512 -1.213 0.20 0.00 N ATOM 528 NE BARG A 21 4.458 1.098 -0.758 0.80 0.00 N ATOM 529 CZ AARG A 21 4.201 0.576 0.113 0.20 0.00 C ATOM 530 CZ BARG A 21 3.846 0.858 0.396 0.80 0.00 C ATOM 531 NH1AARG A 21 4.538 -0.480 0.839 0.20 0.00 N ATOM 532 NH1BARG A 21 3.482 -0.378 0.712 0.80 0.00 N ATOM 533 NH2AARG A 21 3.832 1.700 0.716 0.20 0.00 N ATOM 534 NH2BARG A 21 3.595 1.853 1.235 0.80 0.00 N ATOM 0 H AARG A 21 3.768 0.686 -5.439 0.20 0.00 H new ATOM 0 H BARG A 21 2.957 1.955 -5.067 0.80 0.00 H new ATOM 0 HA AARG A 21 1.958 -1.400 -5.121 0.20 0.00 H new ATOM 0 HA BARG A 21 1.912 -0.691 -4.388 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.558 0.784 -3.096 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.223 1.574 -3.014 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.075 -0.868 -2.764 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.892 0.883 -2.106 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.229 -1.647 -3.833 0.20 0.00 H new ATOM 0 HG2BARG A 21 2.974 -1.115 -1.753 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.712 0.032 -3.979 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.811 -1.068 -3.292 0.80 0.00 H new ATOM 0 HD2AARG A 21 4.240 -1.567 -1.446 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.283 -0.762 -1.241 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.711 -0.764 -1.959 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.459 0.463 -2.482 0.80 0.00 H new ATOM 0 HE AARG A 21 3.965 1.342 -1.742 0.20 0.00 H new ATOM 0 HE BARG A 21 4.724 2.059 -0.972 0.80 0.00 H new ATOM 0 HH11AARG A 21 4.822 -1.345 0.379 0.20 0.00 H new ATOM 0 HH11BARG A 21 3.672 -1.146 0.068 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.514 -0.428 1.857 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.012 -0.560 1.599 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.571 2.515 0.161 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.872 2.805 0.995 0.80 0.00 H new ATOM 0 HH22AARG A 21 3.809 1.749 1.735 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.125 1.667 2.121 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.236 -0.267 -4.016 0.20 0.00 N ATOM 562 N BVAL A 22 -0.479 -0.165 -4.066 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.604 0.230 -3.925 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.904 0.113 -3.956 0.80 0.00 C ATOM 565 C AVAL A 22 -2.005 0.468 -2.473 0.20 0.00 C ATOM 566 C BVAL A 22 -2.274 0.531 -2.536 0.80 0.00 C ATOM 567 O AVAL A 22 -1.326 0.021 -1.549 0.20 0.00 O ATOM 568 O BVAL A 22 -1.790 -0.046 -1.562 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.601 -0.752 -4.567 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.749 -1.112 -4.354 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.565 -0.633 -6.084 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.229 -0.836 -4.135 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.303 -2.178 -4.130 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.477 -1.495 -5.802 0.80 0.00 C ATOM 0 H AVAL A 22 -0.028 -1.045 -3.390 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.247 -1.156 -4.134 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.636 1.175 -4.468 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.120 0.932 -4.642 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.605 -0.495 -4.229 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.465 -1.951 -3.719 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.276 -1.334 -6.521 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.809 -1.713 -4.422 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.832 0.383 -6.376 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.406 -0.612 -3.083 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.562 -0.862 -6.443 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.534 0.016 -4.743 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -3.018 -2.858 -4.594 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.081 -2.362 -6.069 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.293 -2.449 -4.437 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.734 -0.660 -6.454 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.384 -2.251 -3.045 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.421 -1.738 -5.922 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.114 1.173 -2.282 0.20 0.00 N ATOM 594 N BTYR A 23 -3.136 1.535 -2.426 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.607 1.474 -0.943 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.570 2.032 -1.126 0.80 0.00 C ATOM 597 C ATYR A 23 -5.021 2.042 -0.997 0.20 0.00 C ATOM 598 C BTYR A 23 -5.020 2.502 -1.178 0.80 0.00 C ATOM 599 O ATYR A 23 -5.637 2.106 -2.063 0.20 0.00 O ATOM 600 O BTYR A 23 -5.648 2.500 -2.238 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.675 2.465 -0.243 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.667 3.177 -0.665 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.441 3.736 -1.028 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.710 4.386 -1.575 0.80 0.00 C ATOM 605 CD1ATYR A 23 -1.447 3.805 -1.997 0.20 0.00 C ATOM 606 CD1BTYR A 23 -1.821 4.515 -2.633 0.80 0.00 C ATOM 607 CD2ATYR A 23 -3.216 4.866 -0.801 0.20 0.00 C ATOM 608 CD2BTYR A 23 -3.643 5.397 -1.375 0.80 0.00 C ATOM 609 CE1ATYR A 23 -1.232 4.963 -2.716 0.20 0.00 C ATOM 610 CE1BTYR A 23 -1.856 5.616 -3.466 0.80 0.00 C ATOM 611 CE2ATYR A 23 -3.007 6.029 -1.518 0.20 0.00 C ATOM 612 CE2BTYR A 23 -3.687 6.501 -2.203 0.80 0.00 C ATOM 613 CZ ATYR A 23 -2.015 6.073 -2.474 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.793 6.607 -3.247 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.802 7.230 -3.188 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.831 7.706 -4.073 0.80 0.00 O ATOM 0 H ATYR A 23 -3.689 1.547 -3.037 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.548 2.021 -3.222 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.630 0.543 -0.376 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.498 1.212 -0.411 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.095 2.721 0.730 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.961 3.479 0.340 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.716 1.981 -0.058 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.640 2.816 -0.602 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -0.833 2.938 -2.190 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -1.089 3.741 -2.808 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -3.994 4.835 -0.053 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -4.345 5.318 -0.558 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -0.454 5.000 -3.465 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -1.155 5.702 -4.283 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -3.618 6.899 -1.330 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -4.418 7.278 -2.034 0.80 0.00 H new ATOM 0 HH ATYR A 23 -2.438 7.916 -2.897 0.20 0.00 H new ATOM 0 HH BTYR A 23 -3.548 8.308 -3.784 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.532 2.452 0.158 0.20 0.00 N ATOM 636 N BTYR A 24 -5.546 2.905 -0.027 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.874 3.014 0.245 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.922 3.378 0.060 0.80 0.00 C ATOM 639 C ATYR A 24 -6.822 4.508 0.549 0.20 0.00 C ATOM 640 C BTYR A 24 -6.980 4.785 0.644 0.80 0.00 C ATOM 641 O ATYR A 24 -5.913 4.984 1.230 0.20 0.00 O ATOM 642 O BTYR A 24 -6.320 5.087 1.639 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.685 2.292 1.323 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.757 2.424 0.919 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.518 0.789 1.299 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.506 0.964 0.621 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.507 0.170 2.024 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.838 0.153 1.530 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.372 -0.013 0.553 0.20 0.00 C ATOM 650 CD2BTYR A 24 -7.935 0.394 -0.572 0.80 0.00 C ATOM 651 CE1ATYR A 24 -6.351 -1.201 2.006 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.606 -1.181 1.263 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.225 -1.386 0.528 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.710 -0.941 -0.847 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.213 -1.976 1.257 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.043 -1.724 0.072 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.061 -3.343 1.236 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.814 -3.053 -0.200 0.80 0.00 O ATOM 0 H ATYR A 24 -5.036 2.406 1.048 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.040 2.914 0.859 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.360 2.875 -0.721 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.334 3.406 -0.949 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.387 2.667 2.302 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.542 2.614 1.971 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.740 2.534 1.196 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.814 2.641 0.765 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -5.831 0.773 2.612 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.494 0.574 2.463 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -9.166 0.446 -0.018 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.453 1.005 -1.296 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -5.559 -1.665 2.575 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -6.086 -1.796 1.982 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -8.898 -1.994 -0.058 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -8.055 -1.369 -1.777 0.80 0.00 H new ATOM 0 HH ATYR A 24 -7.749 -3.740 0.662 0.20 0.00 H new ATOM 0 HH BTYR A 24 -7.186 -3.276 -1.079 0.80 0.00 H new ATOM 677 N APHE A 25 -7.804 5.244 0.038 0.20 0.00 N ATOM 678 N BPHE A 25 -7.775 5.646 0.017 0.80 0.00 N ATOM 679 CA APHE A 25 -7.872 6.685 0.254 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.919 7.025 0.470 0.80 0.00 C ATOM 681 C APHE A 25 -9.281 7.109 0.658 0.20 0.00 C ATOM 682 C BPHE A 25 -9.391 7.400 0.611 0.80 0.00 C ATOM 683 O APHE A 25 -10.255 6.787 -0.019 0.20 0.00 O ATOM 684 O BPHE A 25 -10.232 6.961 -0.173 0.80 0.00 O ATOM 685 CB APHE A 25 -7.445 7.432 -1.011 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.228 7.981 -0.504 0.80 0.00 C ATOM 687 CG APHE A 25 -7.684 8.913 -0.943 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.520 9.429 -0.231 0.80 0.00 C ATOM 689 CD1APHE A 25 -6.691 9.768 -0.492 0.20 0.00 C ATOM 690 CD1BPHE A 25 -6.745 10.149 0.665 0.80 0.00 C ATOM 691 CD2APHE A 25 -8.901 9.451 -1.329 0.20 0.00 C ATOM 692 CD2BPHE A 25 -8.568 10.070 -0.871 0.80 0.00 C ATOM 693 CE1APHE A 25 -6.907 11.131 -0.427 0.20 0.00 C ATOM 694 CE1BPHE A 25 -7.011 11.481 0.917 0.80 0.00 C ATOM 695 CE2APHE A 25 -9.123 10.813 -1.269 0.20 0.00 C ATOM 696 CE2BPHE A 25 -8.837 11.402 -0.622 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.126 11.654 -0.816 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.060 12.108 0.273 0.80 0.00 C ATOM 0 H APHE A 25 -8.564 4.866 -0.528 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.330 5.413 -0.807 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.189 6.938 1.065 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.445 7.110 1.448 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.385 7.251 -1.190 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.151 7.820 -0.456 0.80 0.00 H new ATOM 0 HB3APHE A 25 -7.986 7.024 -1.864 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.541 7.741 -1.520 0.80 0.00 H new ATOM 0 HD1APHE A 25 -5.737 9.364 -0.188 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -5.924 9.663 1.172 0.80 0.00 H new ATOM 0 HD2APHE A 25 -9.686 8.798 -1.681 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -9.181 9.523 -1.572 0.80 0.00 H new ATOM 0 HE1APHE A 25 -6.125 11.787 -0.073 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -6.400 12.031 1.617 0.80 0.00 H new ATOM 0 HE2APHE A 25 -10.075 11.220 -1.576 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -9.656 11.891 -1.128 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.298 12.719 -0.766 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.271 13.149 0.470 0.80 0.00 H new ATOM 717 N AASN A 26 -9.377 7.833 1.767 0.20 0.00 N ATOM 718 N BASN A 26 -9.696 8.216 1.616 0.80 0.00 N ATOM 719 CA AASN A 26 -10.667 8.302 2.264 0.20 0.00 C ATOM 720 CA BASN A 26 -11.067 8.649 1.859 0.80 0.00 C ATOM 721 C AASN A 26 -10.968 9.708 1.756 0.20 0.00 C ATOM 722 C BASN A 26 -11.255 10.109 1.454 0.80 0.00 C ATOM 723 O AASN A 26 -10.297 10.671 2.129 0.20 0.00 O ATOM 724 O BASN A 26 -10.510 10.986 1.891 0.80 0.00 O ATOM 725 CB AASN A 26 -10.684 8.287 3.794 0.20 0.00 C ATOM 726 CB BASN A 26 -11.426 8.467 3.335 0.80 0.00 C ATOM 727 CG AASN A 26 -12.051 8.619 4.361 0.20 0.00 C ATOM 728 CG BASN A 26 -12.923 8.478 3.570 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.341 9.774 4.672 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.673 9.130 2.845 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.898 7.605 4.496 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.368 7.753 4.592 0.80 0.00 N ATOM 0 H AASN A 26 -8.579 8.108 2.339 0.20 0.00 H new ATOM 0 H BASN A 26 -9.012 8.590 2.274 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.438 7.627 1.891 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.731 8.033 1.252 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.376 7.303 4.148 0.20 0.00 H new ATOM 0 HB2BASN A 26 -11.011 7.525 3.694 0.80 0.00 H new ATOM 0 HB3AASN A 26 -9.954 9.004 4.170 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.963 9.262 3.920 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.833 7.768 4.871 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.366 7.723 4.800 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.614 6.664 4.225 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.711 7.227 5.168 0.80 0.00 H new ATOM 745 N AHIS A 27 -11.981 9.820 0.902 0.20 0.00 N ATOM 746 N BHIS A 27 -12.258 10.360 0.620 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.371 11.108 0.343 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.545 11.713 0.157 0.80 0.00 C ATOM 749 C AHIS A 27 -13.435 11.776 1.209 0.20 0.00 C ATOM 750 C BHIS A 27 -13.347 12.486 1.202 0.80 0.00 C ATOM 751 O AHIS A 27 -14.334 12.445 0.699 0.20 0.00 O ATOM 752 O BHIS A 27 -13.401 13.715 1.171 0.80 0.00 O ATOM 753 CB AHIS A 27 -12.896 10.931 -1.083 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.316 11.671 -1.164 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.243 10.280 -1.149 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.523 10.784 -1.125 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.092 10.416 -2.226 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.757 11.212 -0.683 0.80 0.00 N ATOM 759 CD2AHIS A 27 -14.885 9.482 -0.264 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.679 9.487 -1.478 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.199 9.732 -2.001 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.620 10.215 -0.764 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.099 9.155 -0.817 0.20 0.00 N ATOM 764 NE2BHIS A 27 -15.991 9.157 -1.245 0.80 0.00 N ATOM 0 H AHIS A 27 -12.546 9.033 0.583 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.885 9.645 0.251 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.489 11.749 0.321 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.596 12.225 -0.001 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -12.949 11.907 -1.565 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.627 12.682 -1.426 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.184 10.333 -1.652 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.648 11.328 -1.954 0.80 0.00 H new ATOM 0 HD1AHIS A 27 -14.896 10.960 -3.066 0.20 0.00 H new ATOM 0 HD2AHIS A 27 -14.512 9.162 0.698 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.914 8.833 -1.870 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -17.043 9.657 -2.671 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.662 10.257 -0.485 0.80 0.00 H new ATOM 0 HE2BHIS A 27 -16.412 8.244 -1.415 0.80 0.00 H new ATOM 779 N AILE A 28 -13.326 11.589 2.520 0.20 0.00 N ATOM 780 N BILE A 28 -13.966 11.755 2.122 0.80 0.00 N ATOM 781 CA AILE A 28 -14.277 12.175 3.456 0.20 0.00 C ATOM 782 CA BILE A 28 -14.763 12.373 3.177 0.80 0.00 C ATOM 783 C AILE A 28 -13.561 12.958 4.552 0.20 0.00 C ATOM 784 C BILE A 28 -13.889 12.795 4.351 0.80 0.00 C ATOM 785 O AILE A 28 -14.026 14.013 4.982 0.20 0.00 O ATOM 786 O BILE A 28 -14.023 13.903 4.873 0.80 0.00 O ATOM 787 CB AILE A 28 -15.163 11.095 4.107 0.20 0.00 C ATOM 788 CB BILE A 28 -15.860 11.419 3.683 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.010 10.391 3.045 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.820 11.060 2.547 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.051 11.713 5.177 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.616 12.051 4.844 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.068 11.281 2.430 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.964 10.169 2.980 0.80 0.00 C ATOM 0 H AILE A 28 -12.589 11.036 2.958 0.20 0.00 H new ATOM 0 H BILE A 28 -13.932 10.736 2.160 0.80 0.00 H new ATOM 0 HA AILE A 28 -14.907 12.854 2.882 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.232 13.256 2.743 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.519 10.354 4.581 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.389 10.502 4.037 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.355 10.020 2.256 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.226 11.978 2.122 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.493 9.523 3.493 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.262 10.561 1.755 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.671 10.938 5.628 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.389 11.365 5.192 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.429 12.173 5.945 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.923 12.260 5.659 0.80 0.00 H new ATOM 0 HG23AILE A 28 -16.690 12.472 4.726 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.078 12.981 4.514 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.630 10.717 1.686 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.603 9.956 2.123 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.746 11.632 3.208 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.567 9.235 3.378 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.591 12.137 1.952 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.546 10.674 3.751 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.425 12.433 4.999 0.20 0.00 N ATOM 818 N BTHR A 29 -12.991 11.906 4.763 0.80 0.00 N ATOM 819 CA ATHR A 29 -11.642 13.080 6.043 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.093 12.185 5.876 0.80 0.00 C ATOM 821 C ATHR A 29 -10.170 13.166 5.657 0.20 0.00 C ATOM 822 C BTHR A 29 -10.772 12.768 5.386 0.80 0.00 C ATOM 823 O ATHR A 29 -9.299 13.284 6.517 0.20 0.00 O ATOM 824 O BTHR A 29 -10.043 13.403 6.144 0.80 0.00 O ATOM 825 CB ATHR A 29 -11.768 12.334 7.384 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.804 10.915 6.699 0.80 0.00 C ATOM 827 OG1ATHR A 29 -11.097 11.071 7.306 0.20 0.00 O ATOM 828 OG1BTHR A 29 -12.002 9.752 5.888 0.80 0.00 O ATOM 829 CG2ATHR A 29 -13.227 12.116 7.750 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.705 10.846 7.921 0.80 0.00 C ATOM 0 H ATHR A 29 -12.026 11.560 4.653 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.866 10.985 4.342 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.042 14.087 6.157 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.597 12.914 6.510 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.305 12.946 8.158 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.767 10.953 7.034 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -11.424 10.574 6.527 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.815 8.949 6.417 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -13.288 11.587 8.701 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.483 9.941 8.486 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -13.728 13.080 7.838 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.532 11.719 8.550 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.712 11.524 6.974 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.748 10.829 7.604 0.80 0.00 H new ATOM 845 N AASN A 30 -9.902 13.105 4.358 0.20 0.00 N ATOM 846 N BASN A 30 -10.473 12.549 4.109 0.80 0.00 N ATOM 847 CA AASN A 30 -8.533 13.175 3.857 0.20 0.00 C ATOM 848 CA BASN A 30 -9.240 13.055 3.516 0.80 0.00 C ATOM 849 C AASN A 30 -7.598 12.322 4.708 0.20 0.00 C ATOM 850 C BASN A 30 -8.019 12.416 4.172 0.80 0.00 C ATOM 851 O AASN A 30 -6.461 12.709 4.978 0.20 0.00 O ATOM 852 O BASN A 30 -7.152 13.109 4.702 0.80 0.00 O ATOM 853 CB AASN A 30 -8.047 14.625 3.841 0.20 0.00 C ATOM 854 CB BASN A 30 -9.168 14.576 3.654 0.80 0.00 C ATOM 855 CG AASN A 30 -9.088 15.579 3.288 0.20 0.00 C ATOM 856 CG BASN A 30 -8.285 15.213 2.597 0.80 0.00 C ATOM 857 OD1AASN A 30 -9.773 16.272 4.041 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.760 15.970 1.750 0.80 0.00 O ATOM 859 ND2AASN A 30 -9.215 15.616 1.967 0.20 0.00 N ATOM 860 ND2BASN A 30 -6.994 14.906 2.643 0.80 0.00 N ATOM 0 H AASN A 30 -10.613 13.007 3.633 0.20 0.00 H new ATOM 0 H BASN A 30 -11.067 12.025 3.466 0.80 0.00 H new ATOM 0 HA AASN A 30 -8.525 12.785 2.839 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.242 12.793 2.458 0.80 0.00 H new ATOM 0 HB2AASN A 30 -7.783 14.928 4.854 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.173 14.992 3.583 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.140 14.694 3.241 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.787 14.830 4.643 0.80 0.00 H new ATOM 0 HD21AASN A 30 -9.902 16.236 1.538 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.351 15.302 1.958 0.80 0.00 H new ATOM 0 HD22AASN A 30 -8.626 15.024 1.381 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.645 14.274 3.364 0.80 0.00 H new ATOM 873 N AALA A 31 -8.084 11.158 5.126 0.20 0.00 N ATOM 874 N BALA A 31 -7.959 11.088 4.129 0.80 0.00 N ATOM 875 CA AALA A 31 -7.291 10.249 5.946 0.20 0.00 C ATOM 876 CA BALA A 31 -6.844 10.355 4.717 0.80 0.00 C ATOM 877 C AALA A 31 -6.245 9.525 5.105 0.20 0.00 C ATOM 878 C BALA A 31 -6.560 9.073 3.941 0.80 0.00 C ATOM 879 O AALA A 31 -5.058 9.848 5.161 0.20 0.00 O ATOM 880 O BALA A 31 -7.418 8.574 3.213 0.80 0.00 O ATOM 881 CB AALA A 31 -8.195 9.244 6.646 0.20 0.00 C ATOM 882 CB BALA A 31 -7.131 10.038 6.178 0.80 0.00 C ATOM 0 H AALA A 31 -9.023 10.822 4.911 0.20 0.00 H new ATOM 0 H BALA A 31 -8.669 10.499 3.694 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.770 10.839 6.700 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.957 10.986 4.662 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.590 8.572 7.254 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.290 9.491 6.604 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.902 9.774 7.284 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.276 10.967 6.730 0.80 0.00 H new ATOM 0 HB3AALA A 31 -8.742 8.666 5.901 0.20 0.00 H new ATOM 0 HB3BALA A 31 -8.033 9.429 6.248 0.80 0.00 H new ATOM 893 N ASER A 32 -6.691 8.543 4.328 0.20 0.00 N ATOM 894 N BSER A 32 -5.351 8.546 4.102 0.80 0.00 N ATOM 895 CA ASER A 32 -5.792 7.770 3.479 0.20 0.00 C ATOM 896 CA BSER A 32 -4.952 7.324 3.412 0.80 0.00 C ATOM 897 C ASER A 32 -4.823 6.948 4.323 0.20 0.00 C ATOM 898 C BSER A 32 -4.502 6.261 4.408 0.80 0.00 C ATOM 899 O ASER A 32 -3.953 7.497 4.997 0.20 0.00 O ATOM 900 O BSER A 32 -3.953 6.576 5.464 0.80 0.00 O ATOM 901 CB ASER A 32 -5.013 8.699 2.546 0.20 0.00 C ATOM 902 CB BSER A 32 -3.826 7.617 2.419 0.80 0.00 C ATOM 903 OG ASER A 32 -4.662 8.037 1.343 0.20 0.00 O ATOM 904 OG BSER A 32 -4.021 6.914 1.205 0.80 0.00 O ATOM 0 H ASER A 32 -7.670 8.264 4.269 0.20 0.00 H new ATOM 0 H BSER A 32 -4.631 8.945 4.704 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.394 7.087 2.879 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.817 6.945 2.868 0.80 0.00 H new ATOM 0 HB2ASER A 32 -5.615 9.579 2.318 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.782 8.688 2.220 0.80 0.00 H new ATOM 0 HB3ASER A 32 -4.111 9.051 3.048 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.868 7.335 2.857 0.80 0.00 H new ATOM 0 HG ASER A 32 -4.992 7.115 1.369 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.732 6.250 1.322 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.982 5.629 4.278 0.20 0.00 N ATOM 916 N BGLN A 33 -4.740 4.998 4.065 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.121 4.730 5.039 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.359 3.887 4.929 0.80 0.00 C ATOM 919 C AGLN A 33 -3.852 3.446 4.261 0.20 0.00 C ATOM 920 C BGLN A 33 -4.040 2.643 4.108 0.80 0.00 C ATOM 921 O AGLN A 33 -4.608 3.085 3.358 0.20 0.00 O ATOM 922 O BGLN A 33 -4.779 2.285 3.191 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.761 4.398 6.388 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.479 3.582 5.925 0.80 0.00 C ATOM 925 CG AGLN A 33 -6.154 3.803 6.270 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.088 2.572 6.991 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.481 2.853 7.406 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.069 2.534 8.147 0.80 0.00 C ATOM 929 OE1AGLN A 33 -5.600 2.450 8.165 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.115 3.451 8.968 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.752 2.488 7.528 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.860 1.469 8.218 0.80 0.00 N ATOM 0 H AGLN A 33 -5.698 5.159 3.724 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.195 4.720 3.195 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.171 5.236 5.210 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.463 4.177 5.478 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -4.120 3.697 6.922 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.785 4.509 6.410 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.812 5.305 6.990 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.345 3.206 5.381 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.889 4.608 6.252 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -5.024 1.581 6.541 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.239 3.272 5.322 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.095 2.815 7.370 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -8.450 2.846 6.877 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.788 0.733 7.516 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -8.030 1.849 8.273 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.539 1.388 8.974 0.80 0.00 H new ATOM 949 N APHE A 34 -2.771 2.762 4.616 0.20 0.00 N ATOM 950 N BPHE A 34 -2.933 1.987 4.443 0.80 0.00 N ATOM 951 CA APHE A 34 -2.401 1.517 3.950 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.515 0.784 3.735 0.80 0.00 C ATOM 953 C APHE A 34 -3.273 0.362 4.432 0.20 0.00 C ATOM 954 C BPHE A 34 -3.263 -0.441 4.255 0.80 0.00 C ATOM 955 O APHE A 34 -3.536 -0.583 3.688 0.20 0.00 O ATOM 956 O BPHE A 34 -3.561 -1.366 3.500 0.80 0.00 O ATOM 957 CB APHE A 34 -0.926 1.198 4.202 0.20 0.00 C ATOM 958 CB BPHE A 34 -1.007 0.576 3.885 0.80 0.00 C ATOM 959 CG APHE A 34 -0.004 2.346 3.904 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.187 1.696 3.314 0.80 0.00 C ATOM 961 CD1APHE A 34 0.115 2.839 2.614 0.20 0.00 C ATOM 962 CD1BPHE A 34 -0.267 2.015 1.968 0.80 0.00 C ATOM 963 CD2APHE A 34 0.743 2.933 4.913 0.20 0.00 C ATOM 964 CD2BPHE A 34 0.664 2.434 4.124 0.80 0.00 C ATOM 965 CE1APHE A 34 0.961 3.896 2.337 0.20 0.00 C ATOM 966 CE1BPHE A 34 0.485 3.046 1.439 0.80 0.00 C ATOM 967 CE2APHE A 34 1.591 3.989 4.641 0.20 0.00 C ATOM 968 CE2BPHE A 34 1.419 3.467 3.599 0.80 0.00 C ATOM 969 CZ APHE A 34 1.701 4.471 3.351 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.330 3.772 2.255 0.80 0.00 C ATOM 0 H APHE A 34 -2.135 3.047 5.361 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.310 2.269 5.200 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.560 1.646 2.879 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.754 0.913 2.679 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.800 0.902 5.243 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.767 0.464 4.942 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.638 0.343 3.590 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.726 -0.356 3.394 0.80 0.00 H new ATOM 0 HD1APHE A 34 -0.460 2.392 1.816 0.20 0.00 H new ATOM 0 HD1BPHE A 34 -0.925 1.451 1.324 0.80 0.00 H new ATOM 0 HD2APHE A 34 0.661 2.561 5.923 0.20 0.00 H new ATOM 0 HD2BPHE A 34 0.738 2.199 5.176 0.80 0.00 H new ATOM 0 HE1APHE A 34 1.043 4.272 1.328 0.20 0.00 H new ATOM 0 HE1BPHE A 34 0.412 3.284 0.388 0.80 0.00 H new ATOM 0 HE2APHE A 34 2.168 4.438 5.436 0.20 0.00 H new ATOM 0 HE2BPHE A 34 2.078 4.035 4.240 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.364 5.296 3.136 0.20 0.00 H new ATOM 0 HZ BPHE A 34 1.920 4.577 1.843 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.717 0.445 5.682 0.20 0.00 N ATOM 990 N BGLU A 35 -3.561 -0.438 5.550 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.558 -0.593 6.264 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.272 -1.549 6.173 0.80 0.00 C ATOM 993 C AGLU A 35 -5.974 -0.527 5.702 0.20 0.00 C ATOM 994 C BGLU A 35 -5.755 -1.517 5.811 0.80 0.00 C ATOM 995 O AGLU A 35 -6.512 0.557 5.475 0.20 0.00 O ATOM 996 O BGLU A 35 -6.406 -0.477 5.910 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.596 -0.457 7.787 0.20 0.00 C ATOM 998 CB BGLU A 35 -4.105 -1.505 7.692 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.652 -1.788 8.519 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.671 -1.280 8.141 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.911 -1.760 9.841 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.336 -2.024 9.420 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -4.506 -1.311 10.844 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -3.278 -2.468 10.111 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -2.737 -2.184 9.874 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -1.134 -2.163 9.729 0.80 0.00 O ATOM 0 H AGLU A 35 -3.508 1.221 6.311 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.322 0.321 6.188 0.80 0.00 H new ATOM 0 HA AGLU A 35 -4.127 -1.560 6.003 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.843 -2.478 5.796 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.713 0.091 8.116 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.732 -0.710 8.095 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.464 0.139 8.068 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.467 -2.442 8.116 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.693 -2.057 8.696 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.992 -1.600 7.350 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -4.226 -2.565 7.885 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.504 -0.213 8.291 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.572 -1.692 5.477 0.20 0.00 N ATOM 1020 N BARG A 36 -6.281 -2.664 5.392 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.924 -1.767 4.937 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.684 -2.767 5.013 0.80 0.00 C ATOM 1023 C AARG A 36 -8.940 -1.225 5.939 0.20 0.00 C ATOM 1024 C BARG A 36 -8.585 -2.207 6.112 0.80 0.00 C ATOM 1025 O AARG A 36 -8.912 -1.552 7.126 0.20 0.00 O ATOM 1026 O BARG A 36 -8.738 -2.795 7.182 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.273 -3.212 4.573 0.20 0.00 C ATOM 1028 CB BARG A 36 -8.052 -4.224 4.730 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.662 -3.372 3.981 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.509 -4.421 4.345 0.80 0.00 C ATOM 1031 CD AARG A 36 -10.320 -4.663 4.442 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.904 -5.888 4.386 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.580 -5.573 3.331 0.20 0.00 N ATOM 1034 NE BARG A 36 -9.155 -6.685 3.419 0.80 0.00 N ATOM 1035 CZ AARG A 36 -9.659 -6.370 2.802 0.20 0.00 C ATOM 1036 CZ BARG A 36 -9.557 -7.870 2.974 0.80 0.00 C ATOM 1037 NH1AARG A 36 -8.424 -6.371 3.282 0.20 0.00 N ATOM 1038 NH1BARG A 36 -10.697 -8.394 3.407 0.80 0.00 N ATOM 1039 NH2AARG A 36 -9.974 -7.171 1.792 0.20 0.00 N ATOM 1040 NH2BARG A 36 -8.821 -8.534 2.093 0.80 0.00 N ATOM 0 H AARG A 36 -6.141 -2.598 5.661 0.20 0.00 H new ATOM 0 H BARG A 36 -5.756 -3.534 5.307 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.963 -1.154 4.037 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.835 -2.179 4.107 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.538 -3.586 3.860 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.419 -4.600 3.927 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.194 -3.832 5.466 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.835 -4.823 5.614 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.282 -2.523 4.270 0.20 0.00 H new ATOM 0 HG2BARG A 36 -10.145 -3.853 5.024 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.598 -3.364 2.893 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.678 -4.026 3.343 0.80 0.00 H new ATOM 0 HD2AARG A 36 -9.678 -5.156 5.172 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.734 -6.281 5.388 0.80 0.00 H new ATOM 0 HD3AARG A 36 -11.257 -4.431 4.947 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.971 -5.982 4.184 0.80 0.00 H new ATOM 0 HE AARG A 36 -11.521 -5.598 2.939 0.20 0.00 H new ATOM 0 HE BARG A 36 -8.274 -6.311 3.066 0.80 0.00 H new ATOM 0 HH11AARG A 36 -8.179 -5.759 4.060 0.20 0.00 H new ATOM 0 HH11BARG A 36 -11.267 -7.886 4.083 0.80 0.00 H new ATOM 0 HH12AARG A 36 -7.719 -6.984 2.874 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.003 -9.304 3.063 0.80 0.00 H new ATOM 0 HH21AARG A 36 -10.924 -7.175 1.421 0.20 0.00 H new ATOM 0 HH21BARG A 36 -7.945 -8.135 1.756 0.80 0.00 H new ATOM 0 HH22AARG A 36 -9.266 -7.783 1.386 0.20 0.00 H new ATOM 0 HH22BARG A 36 -9.131 -9.444 1.752 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.856 -0.376 5.453 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.196 -1.044 5.840 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.898 0.229 6.290 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.093 -0.380 6.793 0.80 0.00 C ATOM 1071 C APRO A 37 -11.938 -0.787 6.746 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.403 -1.139 6.981 0.80 0.00 C ATOM 1073 O APRO A 37 -12.475 -1.546 5.939 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.735 -2.026 6.194 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.536 1.268 5.364 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.351 0.982 6.146 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.277 0.761 3.988 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.137 0.756 4.688 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.949 0.058 4.049 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.060 -0.288 4.585 0.80 0.00 C ATOM 0 HA APRO A 37 -10.490 0.649 7.209 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.656 -0.317 7.790 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.605 1.365 5.555 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.364 1.331 6.348 0.80 0.00 H new ATOM 0 HB3APRO A 37 -11.095 2.254 5.512 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.670 1.740 6.533 0.80 0.00 H new ATOM 0 HG2APRO A 37 -12.065 0.079 3.669 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.055 0.419 4.206 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.253 1.580 3.269 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.836 1.678 4.190 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.911 -0.789 3.364 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.202 -0.927 3.714 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.129 0.724 3.779 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.072 0.162 4.492 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.218 -0.798 8.044 0.20 0.00 N ATOM 1096 N BSER A 38 -12.142 -0.782 8.025 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.192 -1.725 8.609 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.415 -1.430 8.318 0.80 0.00 C ATOM 1099 C ASER A 38 -14.601 -1.387 8.134 0.20 0.00 C ATOM 1100 C BSER A 38 -14.494 -0.396 8.622 0.80 0.00 C ATOM 1101 O ASER A 38 -15.315 -2.245 7.615 0.20 0.00 O ATOM 1102 O BSER A 38 -14.209 0.792 8.767 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.136 -1.687 10.139 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.264 -2.391 9.499 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.078 -0.355 10.616 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.483 -3.059 9.772 0.80 0.00 O ATOM 0 H ASER A 38 -11.784 -0.175 8.726 0.20 0.00 H new ATOM 0 H BSER A 38 -11.882 -0.047 8.683 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.942 -2.729 8.267 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.717 -1.996 7.437 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.014 -2.185 10.550 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.486 -3.122 9.280 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.263 -2.239 10.488 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.942 -1.839 10.382 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.045 -0.359 11.595 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.360 -3.668 10.530 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.997 -0.130 8.316 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.739 -0.858 8.719 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.319 0.299 7.900 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.842 0.040 9.006 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.360 0.100 8.982 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.175 -0.681 9.067 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.393 -0.942 9.637 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.201 -1.864 9.405 0.80 0.00 O ATOM 0 H AGLY A 39 -14.425 0.598 8.744 0.20 0.00 H new ATOM 0 H BGLY A 39 -16.002 -1.837 8.604 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.285 1.352 7.622 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.660 0.542 9.956 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.614 -0.256 7.010 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.886 0.814 8.240 0.80 0.00 H new