USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=15 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= 0.493 K(o=-0.11,f=-11!) USER MOD Set 1.2: A 29 THR OG1A: rot 180:sc= -0.0445 USER MOD Set 1.3: A 29 THR OG1B: rot -20:sc= -0.559 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 A: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 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -0.163 K(o=-0.16,f=-1.1) USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG A: rot 77:sc= 0.0905 USER MOD Single : A 19 SER OG B: rot -120:sc= 0.275 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 26 ASN B: amide:sc= -2.4 K(o=-2.4,f=-15!) USER MOD Single : A 27 HIS A: no HE2:sc= -1.56 K(o=-1.6,f=-2.2!) USER MOD Single : A 27 HIS B: no HD1:sc= -1.71 K(o=-1.7,f=-3.6!) USER MOD Single : A 30 ASN A: amide:sc= -0.152 X(o=-0.15,f=-0.012) USER MOD Single : A 30 ASN B: amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 32 SER OG A: rot -88:sc= 0.128 USER MOD Single : A 32 SER OG B: rot 180:sc= 0 USER MOD Single : A 33 GLN A: amide:sc= -1.06 K(o=-1.1,f=-3.7!) USER MOD Single : A 33 GLN B: amide:sc= -0.0791 K(o=-0.079,f=-2.1!) USER MOD Single : A 38 SER OG A: rot 180:sc= 0 USER MOD Single : A 38 SER OG B: rot 180:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -13.185 -4.855 -4.461 0.50 0.00 N ATOM 24 N BLYS A 6 -12.511 -3.133 -4.686 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.499 -5.113 -3.061 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.100 -3.892 -3.587 0.50 0.00 C ATOM 27 C ALYS A 6 -12.955 -4.001 -2.169 0.50 0.00 C ATOM 28 C BLYS A 6 -13.061 -3.091 -2.291 0.50 0.00 C ATOM 29 O ALYS A 6 -11.745 -3.880 -1.979 0.50 0.00 O ATOM 30 O BLYS A 6 -12.592 -3.577 -1.262 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.920 -6.460 -2.626 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.361 -5.220 -3.402 0.50 0.00 C ATOM 33 CG ALYS A 6 -11.435 -6.606 -2.910 0.50 0.00 C ATOM 34 CG BLYS A 6 -10.849 -5.086 -3.444 0.50 0.00 C ATOM 35 CD ALYS A 6 -10.983 -8.051 -2.792 0.50 0.00 C ATOM 36 CD BLYS A 6 -10.167 -6.441 -3.389 0.50 0.00 C ATOM 37 CE ALYS A 6 -9.680 -8.289 -3.540 0.50 0.00 C ATOM 38 CE BLYS A 6 -9.762 -6.918 -4.774 0.50 0.00 C ATOM 39 NZ ALYS A 6 -8.649 -8.922 -2.672 0.50 0.00 N ATOM 40 NZ BLYS A 6 -8.596 -7.843 -4.724 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.584 -5.142 -2.957 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.141 -4.095 -3.836 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -13.091 -6.591 -1.558 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -12.652 -5.658 -2.447 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -13.459 -7.259 -3.136 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -12.678 -5.914 -4.181 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -11.218 -6.237 -3.912 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -10.554 -4.566 -4.356 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -10.868 -5.989 -2.213 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -10.514 -4.475 -2.606 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -10.853 -8.308 -1.741 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -9.285 -6.380 -2.752 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -11.757 -8.709 -3.188 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -10.839 -7.169 -2.934 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -9.869 -8.927 -4.404 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -10.606 -7.422 -5.245 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -9.301 -7.340 -3.921 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -9.517 -6.058 -5.397 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -7.776 -9.067 -3.219 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -8.351 -8.145 -5.688 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -8.450 -8.302 -1.861 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -7.783 -7.354 -4.298 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -8.999 -9.839 -2.329 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -8.838 -8.676 -4.151 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.857 -3.195 -1.622 0.50 0.00 N ATOM 68 N BLEU A 7 -13.556 -1.860 -2.346 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.468 -2.093 -0.747 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.579 -0.990 -1.175 0.50 0.00 C ATOM 71 C ALEU A 7 -14.694 -1.420 -0.140 0.50 0.00 C ATOM 72 C BLEU A 7 -15.011 -0.654 -0.774 0.50 0.00 C ATOM 73 O ALEU A 7 -15.793 -1.463 -0.692 0.50 0.00 O ATOM 74 O BLEU A 7 -15.944 -0.743 -1.573 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.640 -1.067 -1.523 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.800 0.297 -1.455 0.50 0.00 C ATOM 77 CG ALEU A 7 -13.363 -0.344 -2.660 0.50 0.00 C ATOM 78 CG BLEU A 7 -11.292 0.236 -1.213 0.50 0.00 C ATOM 79 CD1ALEU A 7 -13.864 1.015 -2.195 0.50 0.00 C ATOM 80 CD1BLEU A 7 -10.690 -0.976 -1.907 0.50 0.00 C ATOM 81 CD2ALEU A 7 -12.444 -0.191 -3.864 0.50 0.00 C ATOM 82 CD2BLEU A 7 -10.622 1.515 -1.693 0.50 0.00 C ATOM 0 H ALEU A 7 -14.863 -3.283 -1.768 0.50 0.00 H new ATOM 0 H BLEU A 7 -13.947 -1.441 -3.190 0.50 0.00 H new ATOM 0 HA ALEU A 7 -12.863 -2.501 0.063 0.50 0.00 H new ATOM 0 HA BLEU A 7 -13.106 -1.521 -0.349 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -12.272 -0.320 -0.820 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.970 0.582 -2.493 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -11.767 -1.572 -1.937 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -13.215 1.091 -0.835 0.50 0.00 H new ATOM 0 HG ALEU A 7 -14.223 -0.944 -2.957 0.50 0.00 H new ATOM 0 HG BLEU A 7 -11.119 0.140 -0.141 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -14.376 1.515 -3.017 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -9.616 -1.004 -1.724 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -14.556 0.883 -1.364 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -11.148 -1.884 -1.516 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -13.019 1.623 -1.870 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -10.874 -0.910 -2.979 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -12.975 0.326 -4.664 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -9.549 1.453 -1.513 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -11.565 0.387 -3.580 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -10.804 1.643 -2.760 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -12.133 -1.176 -4.212 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -11.033 2.367 -1.151 0.50 0.00 H new ATOM 105 N APRO A 8 -14.504 -0.779 1.022 0.50 0.00 N ATOM 106 N BPRO A 8 -15.194 -0.255 0.494 0.50 0.00 N ATOM 107 CA APRO A 8 -15.583 -0.081 1.727 0.50 0.00 C ATOM 108 CA BPRO A 8 -16.509 0.106 1.029 0.50 0.00 C ATOM 109 C APRO A 8 -16.034 1.178 0.996 0.50 0.00 C ATOM 110 C BPRO A 8 -17.038 1.410 0.441 0.50 0.00 C ATOM 111 O APRO A 8 -15.318 1.730 0.160 0.50 0.00 O ATOM 112 O BPRO A 8 -16.345 2.112 -0.295 0.50 0.00 O ATOM 113 CB APRO A 8 -14.950 0.280 3.074 0.50 0.00 C ATOM 114 CB BPRO A 8 -16.251 0.263 2.529 0.50 0.00 C ATOM 115 CG APRO A 8 -13.488 0.342 2.802 0.50 0.00 C ATOM 116 CG BPRO A 8 -14.803 0.602 2.632 0.50 0.00 C ATOM 117 CD APRO A 8 -13.220 -0.687 1.738 0.50 0.00 C ATOM 118 CD BPRO A 8 -14.129 -0.124 1.502 0.50 0.00 C ATOM 0 HA APRO A 8 -16.479 -0.696 1.812 0.50 0.00 H new ATOM 0 HA BPRO A 8 -17.265 -0.641 0.788 0.50 0.00 H new ATOM 0 HB2APRO A 8 -15.324 1.234 3.444 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -16.873 1.049 2.957 0.50 0.00 H new ATOM 0 HB3APRO A 8 -15.180 -0.468 3.832 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -16.482 -0.656 3.069 0.50 0.00 H new ATOM 0 HG2APRO A 8 -13.196 1.337 2.465 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -14.647 1.678 2.553 0.50 0.00 H new ATOM 0 HG3APRO A 8 -12.914 0.129 3.704 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -14.396 0.291 3.594 0.50 0.00 H new ATOM 0 HD2APRO A 8 -12.411 -0.379 1.075 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -13.278 0.437 1.116 0.50 0.00 H new ATOM 0 HD3APRO A 8 -12.931 -1.645 2.169 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.753 -1.097 1.818 0.50 0.00 H new ATOM 133 N APRO A 9 -17.250 1.647 1.316 0.50 0.00 N ATOM 134 N BPRO A 9 -18.295 1.742 0.770 0.50 0.00 N ATOM 135 CA APRO A 9 -17.822 2.846 0.701 0.50 0.00 C ATOM 136 CA BPRO A 9 -18.943 2.963 0.286 0.50 0.00 C ATOM 137 C APRO A 9 -17.108 4.121 1.142 0.50 0.00 C ATOM 138 C BPRO A 9 -18.344 4.223 0.902 0.50 0.00 C ATOM 139 O APRO A 9 -16.667 4.232 2.284 0.50 0.00 O ATOM 140 O BPRO A 9 -18.556 4.510 2.080 0.50 0.00 O ATOM 141 CB APRO A 9 -19.269 2.845 1.200 0.50 0.00 C ATOM 142 CB BPRO A 9 -20.399 2.792 0.728 0.50 0.00 C ATOM 143 CG APRO A 9 -19.229 2.080 2.478 0.50 0.00 C ATOM 144 CG BPRO A 9 -20.333 1.880 1.904 0.50 0.00 C ATOM 145 CD APRO A 9 -18.158 1.039 2.303 0.50 0.00 C ATOM 146 CD BPRO A 9 -19.179 0.952 1.643 0.50 0.00 C ATOM 0 HA APRO A 9 -17.731 2.830 -0.385 0.50 0.00 H new ATOM 0 HA BPRO A 9 -18.821 3.088 -0.790 0.50 0.00 H new ATOM 0 HB2APRO A 9 -19.634 3.860 1.357 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -20.847 3.749 0.994 0.50 0.00 H new ATOM 0 HB3APRO A 9 -19.936 2.375 0.478 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -21.008 2.366 -0.070 0.50 0.00 H new ATOM 0 HG2APRO A 9 -19.002 2.736 3.319 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -20.181 2.442 2.826 0.50 0.00 H new ATOM 0 HG3APRO A 9 -20.193 1.617 2.686 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -21.263 1.324 2.019 0.50 0.00 H new ATOM 0 HD2APRO A 9 -17.647 0.826 3.242 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -18.678 0.664 2.567 0.50 0.00 H new ATOM 0 HD3APRO A 9 -18.569 0.096 1.943 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -19.505 0.032 1.158 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.001 5.079 0.227 0.50 0.00 N ATOM 162 N BGLY A 10 -17.594 4.972 0.099 0.50 0.00 N ATOM 163 CA AGLY A 10 -16.340 6.333 0.540 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.976 6.191 0.584 0.50 0.00 C ATOM 165 C AGLY A 10 -14.848 6.284 0.276 0.50 0.00 C ATOM 166 C BGLY A 10 -15.490 6.247 0.287 0.50 0.00 C ATOM 167 O AGLY A 10 -14.204 7.321 0.132 0.50 0.00 O ATOM 168 O BGLY A 10 -14.947 7.314 0.007 0.50 0.00 O ATOM 0 H AGLY A 10 -17.360 5.010 -0.725 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.404 4.755 -0.879 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -16.785 7.132 -0.053 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -17.467 7.050 0.127 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -16.513 6.579 1.588 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -17.131 6.270 1.660 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.300 5.076 0.217 0.50 0.00 N ATOM 176 N BTRP A 11 -14.833 5.094 0.348 0.50 0.00 N ATOM 177 CA ATRP A 11 -12.874 4.896 -0.031 0.50 0.00 C ATOM 178 CA BTRP A 11 -13.400 5.016 0.084 0.50 0.00 C ATOM 179 C ATRP A 11 -12.603 4.652 -1.511 0.50 0.00 C ATOM 180 C BTRP A 11 -13.128 4.909 -1.411 0.50 0.00 C ATOM 181 O ATRP A 11 -13.466 4.155 -2.234 0.50 0.00 O ATOM 182 O BTRP A 11 -13.984 4.469 -2.177 0.50 0.00 O ATOM 183 CB ATRP A 11 -12.335 3.731 0.800 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.792 3.819 0.815 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.432 3.958 2.277 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.587 4.056 2.280 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.514 3.721 3.075 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.527 3.949 3.265 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.405 4.469 3.135 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.369 4.442 2.925 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.222 4.054 4.375 0.50 0.00 N ATOM 192 NE1BTRP A 11 -12.966 4.246 4.485 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.935 4.516 4.438 0.50 0.00 C ATOM 194 CE2BTRP A 11 -11.643 4.551 4.303 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.088 4.891 2.927 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.073 4.705 2.473 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -11.194 4.968 5.527 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -10.667 4.912 5.228 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.354 5.340 4.008 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.106 5.063 3.394 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.907 5.374 5.295 0.50 0.00 C ATOM 202 CH2BTRP A 11 -9.406 5.164 4.759 0.50 0.00 C ATOM 0 H ATRP A 11 -14.821 4.207 0.337 0.50 0.00 H new ATOM 0 H BTRP A 11 -15.269 4.201 0.578 0.50 0.00 H new ATOM 0 HA ATRP A 11 -12.361 5.811 0.264 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.936 5.931 0.453 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -12.885 2.826 0.542 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -13.442 2.954 0.682 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -11.292 3.557 0.534 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.834 3.572 0.357 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.461 3.329 2.734 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.559 3.672 3.109 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.861 3.971 5.166 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -13.455 4.240 5.380 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -9.652 4.866 1.939 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.831 4.630 1.423 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -11.619 4.997 6.519 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -10.897 4.991 6.280 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.337 5.670 3.858 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.101 5.269 3.055 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -9.306 5.727 6.120 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -8.628 5.446 5.453 0.50 0.00 H new ATOM 223 N AGLU A 12 -11.401 5.003 -1.954 0.50 0.00 N ATOM 224 N BGLU A 12 -11.930 5.315 -1.820 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.019 4.820 -3.350 0.50 0.00 C ATOM 226 CA BGLU A 12 -11.546 5.265 -3.226 0.50 0.00 C ATOM 227 C AGLU A 12 -9.598 4.272 -3.458 0.50 0.00 C ATOM 228 C BGLU A 12 -10.225 4.522 -3.402 0.50 0.00 C ATOM 229 O AGLU A 12 -8.685 4.743 -2.780 0.50 0.00 O ATOM 230 O BGLU A 12 -9.253 4.781 -2.695 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.125 6.146 -4.108 0.50 0.00 C ATOM 232 CB BGLU A 12 -11.427 6.679 -3.797 0.50 0.00 C ATOM 233 CG AGLU A 12 -9.782 6.813 -4.357 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.806 6.777 -5.266 0.50 0.00 C ATOM 235 CD AGLU A 12 -9.922 8.177 -5.005 0.50 0.00 C ATOM 236 CD BGLU A 12 -10.689 6.328 -6.186 0.50 0.00 C ATOM 237 OE1AGLU A 12 -9.854 9.189 -4.278 0.50 0.00 O ATOM 238 OE1BGLU A 12 -10.688 5.142 -6.580 0.50 0.00 O ATOM 239 OE2AGLU A 12 -10.098 8.231 -6.240 0.50 0.00 O ATOM 240 OE2BGLU A 12 -9.817 7.158 -6.514 0.50 0.00 O ATOM 0 H AGLU A 12 -10.675 5.415 -1.368 0.50 0.00 H new ATOM 0 H BGLU A 12 -11.209 5.682 -1.198 0.50 0.00 H new ATOM 0 HA AGLU A 12 -11.703 4.098 -3.796 0.50 0.00 H new ATOM 0 HA BGLU A 12 -12.323 4.726 -3.769 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -11.617 5.970 -5.065 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -12.065 7.349 -3.221 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -11.761 6.828 -3.543 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.402 7.027 -3.671 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -9.251 6.917 -3.411 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.691 6.168 -5.451 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -9.174 6.172 -4.995 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -12.073 7.807 -5.501 0.50 0.00 H new ATOM 253 N ALYS A 13 -9.419 3.275 -4.317 0.50 0.00 N ATOM 254 N BLYS A 13 -10.199 3.594 -4.354 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.111 2.662 -4.516 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.998 2.812 -4.627 0.50 0.00 C ATOM 257 C ALYS A 13 -7.356 3.347 -5.650 0.50 0.00 C ATOM 258 C BLYS A 13 -8.102 3.523 -5.636 0.50 0.00 C ATOM 259 O ALYS A 13 -7.919 3.614 -6.712 0.50 0.00 O ATOM 260 O BLYS A 13 -8.420 3.587 -6.823 0.50 0.00 O ATOM 261 CB ALYS A 13 -8.267 1.168 -4.821 0.50 0.00 C ATOM 262 CB BLYS A 13 -9.378 1.424 -5.153 0.50 0.00 C ATOM 263 CG ALYS A 13 -6.964 0.393 -4.741 0.50 0.00 C ATOM 264 CG BLYS A 13 -8.209 0.663 -5.755 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.204 -1.106 -4.795 0.50 0.00 C ATOM 266 CD BLYS A 13 -8.393 -0.838 -5.618 0.50 0.00 C ATOM 267 CE ALYS A 13 -6.690 -1.705 -6.097 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.399 -1.603 -6.479 0.50 0.00 C ATOM 269 NZ ALYS A 13 -7.712 -1.642 -7.177 0.50 0.00 N ATOM 270 NZ BLYS A 13 -6.916 -2.839 -5.804 0.50 0.00 N ATOM 0 H ALYS A 13 -10.164 2.874 -4.887 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.995 3.365 -4.949 0.50 0.00 H new ATOM 0 HA ALYS A 13 -7.537 2.782 -3.597 0.50 0.00 H new ATOM 0 HA BLYS A 13 -8.446 2.702 -3.694 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -8.981 0.735 -4.121 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.801 0.838 -4.337 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -8.689 1.051 -5.819 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -10.158 1.531 -5.906 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -6.313 0.688 -5.564 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -8.108 0.924 -6.809 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -6.445 0.646 -3.817 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -7.285 0.964 -5.262 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -6.708 -1.586 -3.951 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.270 -1.127 -4.574 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -8.270 -1.309 -4.695 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -9.409 -1.109 -5.906 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -5.794 -1.171 -6.413 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -7.868 -1.867 -7.427 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.401 -2.743 -5.930 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -6.550 -0.960 -6.711 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -7.324 -2.059 -8.047 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -6.241 -3.331 -6.423 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -8.558 -2.172 -6.886 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -6.446 -2.586 -4.911 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -7.969 -0.650 -7.354 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -7.723 -3.464 -5.605 0.50 0.00 H new ATOM 297 N AARG A 14 -6.079 3.629 -5.417 0.50 0.00 N ATOM 298 N BARG A 14 -6.984 4.053 -5.155 0.50 0.00 N ATOM 299 CA AARG A 14 -5.246 4.284 -6.420 0.50 0.00 C ATOM 300 CA BARG A 14 -6.042 4.759 -6.016 0.50 0.00 C ATOM 301 C AARG A 14 -3.989 3.466 -6.700 0.50 0.00 C ATOM 302 C BARG A 14 -4.707 4.022 -6.083 0.50 0.00 C ATOM 303 O AARG A 14 -3.597 2.620 -5.900 0.50 0.00 O ATOM 304 O BARG A 14 -4.396 3.204 -5.218 0.50 0.00 O ATOM 305 CB AARG A 14 -4.861 5.688 -5.955 0.50 0.00 C ATOM 306 CB BARG A 14 -5.824 6.185 -5.508 0.50 0.00 C ATOM 307 CG AARG A 14 -6.056 6.568 -5.621 0.50 0.00 C ATOM 308 CG BARG A 14 -7.098 6.865 -5.031 0.50 0.00 C ATOM 309 CD AARG A 14 -6.012 7.881 -6.385 0.50 0.00 C ATOM 310 CD BARG A 14 -7.266 8.237 -5.661 0.50 0.00 C ATOM 311 NE AARG A 14 -7.097 8.777 -5.996 0.50 0.00 N ATOM 312 NE BARG A 14 -7.257 8.176 -7.118 0.50 0.00 N ATOM 313 CZ AARG A 14 -7.536 9.773 -6.758 0.50 0.00 C ATOM 314 CZ BARG A 14 -7.779 9.116 -7.899 0.50 0.00 C ATOM 315 NH1AARG A 14 -6.986 9.999 -7.943 0.50 0.00 N ATOM 316 NH1BARG A 14 -8.348 10.185 -7.362 0.50 0.00 N ATOM 317 NH2AARG A 14 -8.529 10.546 -6.335 0.50 0.00 N ATOM 318 NH2BARG A 14 -7.729 8.989 -9.218 0.50 0.00 N ATOM 0 H AARG A 14 -5.598 3.415 -4.543 0.50 0.00 H new ATOM 0 H BARG A 14 -6.707 4.008 -4.174 0.50 0.00 H new ATOM 0 HA AARG A 14 -5.822 4.360 -7.342 0.50 0.00 H new ATOM 0 HA BARG A 14 -6.466 4.798 -7.019 0.50 0.00 H new ATOM 0 HB2AARG A 14 -4.222 5.608 -5.075 0.50 0.00 H new ATOM 0 HB2BARG A 14 -5.105 6.164 -4.689 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.271 6.171 -6.734 0.50 0.00 H new ATOM 0 HB3BARG A 14 -5.381 6.782 -6.305 0.50 0.00 H new ATOM 0 HG2AARG A 14 -6.978 6.038 -5.860 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.958 6.242 -5.277 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.073 6.770 -4.550 0.50 0.00 H new ATOM 0 HG3BARG A 14 -7.075 6.962 -3.946 0.50 0.00 H new ATOM 0 HD2AARG A 14 -5.055 8.372 -6.207 0.50 0.00 H new ATOM 0 HD2BARG A 14 -8.203 8.678 -5.323 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.073 7.680 -7.455 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.464 8.892 -5.321 0.50 0.00 H new ATOM 0 HE AARG A 14 -7.542 8.630 -5.090 0.50 0.00 H new ATOM 0 HE BARG A 14 -6.826 7.366 -7.563 0.50 0.00 H new ATOM 0 HH11AARG A 14 -6.223 9.407 -8.272 0.50 0.00 H new ATOM 0 HH11BARG A 14 -8.386 10.287 -6.348 0.50 0.00 H new ATOM 0 HH12AARG A 14 -7.326 10.765 -8.525 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.748 10.906 -7.963 0.50 0.00 H new ATOM 0 HH21AARG A 14 -8.956 10.376 -5.424 0.50 0.00 H new ATOM 0 HH21BARG A 14 -7.289 8.169 -9.635 0.50 0.00 H new ATOM 0 HH22AARG A 14 -8.865 11.310 -6.921 0.50 0.00 H new ATOM 0 HH22BARG A 14 -8.130 9.712 -9.816 0.50 0.00 H new ATOM 345 N AMET A 15 -3.362 3.727 -7.844 0.50 0.00 N ATOM 346 N BMET A 15 -3.924 4.318 -7.115 0.50 0.00 N ATOM 347 CA AMET A 15 -2.148 3.016 -8.228 0.50 0.00 C ATOM 348 CA BMET A 15 -2.624 3.683 -7.294 0.50 0.00 C ATOM 349 C AMET A 15 -1.011 3.994 -8.510 0.50 0.00 C ATOM 350 C BMET A 15 -1.532 4.728 -7.491 0.50 0.00 C ATOM 351 O AMET A 15 -0.974 4.628 -9.565 0.50 0.00 O ATOM 352 O BMET A 15 -1.756 5.766 -8.115 0.50 0.00 O ATOM 353 CB AMET A 15 -2.409 2.149 -9.461 0.50 0.00 C ATOM 354 CB BMET A 15 -2.657 2.733 -8.491 0.50 0.00 C ATOM 355 CG AMET A 15 -3.039 0.804 -9.135 0.50 0.00 C ATOM 356 CG BMET A 15 -1.982 1.396 -8.225 0.50 0.00 C ATOM 357 SD AMET A 15 -1.831 -0.412 -8.579 0.50 0.00 S ATOM 358 SD BMET A 15 -3.129 0.007 -8.318 0.50 0.00 S ATOM 359 CE AMET A 15 -2.661 -1.939 -9.016 0.50 0.00 C ATOM 360 CE BMET A 15 -1.988 -1.367 -8.436 0.50 0.00 C ATOM 0 H AMET A 15 -3.675 4.424 -8.520 0.50 0.00 H new ATOM 0 H BMET A 15 -4.167 4.993 -7.840 0.50 0.00 H new ATOM 0 HA AMET A 15 -1.853 2.375 -7.397 0.50 0.00 H new ATOM 0 HA BMET A 15 -2.399 3.113 -6.393 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.062 2.691 -10.145 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.694 2.557 -8.776 0.50 0.00 H new ATOM 0 HB3AMET A 15 -1.467 1.983 -9.984 0.50 0.00 H new ATOM 0 HB3BMET A 15 -2.171 3.214 -9.340 0.50 0.00 H new ATOM 0 HG2AMET A 15 -3.795 0.939 -8.362 0.50 0.00 H new ATOM 0 HG2BMET A 15 -1.180 1.248 -8.948 0.50 0.00 H new ATOM 0 HG3AMET A 15 -3.551 0.424 -10.019 0.50 0.00 H new ATOM 0 HG3BMET A 15 -1.521 1.416 -7.237 0.50 0.00 H new ATOM 0 HE1AMET A 15 -2.036 -2.786 -8.734 0.50 0.00 H new ATOM 0 HE1BMET A 15 -2.548 -2.300 -8.501 0.50 0.00 H new ATOM 0 HE2AMET A 15 -3.614 -1.999 -8.489 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.370 -1.252 -9.327 0.50 0.00 H new ATOM 0 HE3AMET A 15 -2.839 -1.962 -10.091 0.50 0.00 H new ATOM 0 HE3BMET A 15 -1.350 -1.387 -7.552 0.50 0.00 H new ATOM 379 N ASER A 16 -0.087 4.111 -7.562 0.50 0.00 N ATOM 380 N BSER A 16 -0.347 4.451 -6.953 0.50 0.00 N ATOM 381 CA ASER A 16 1.048 5.013 -7.708 0.50 0.00 C ATOM 382 CA BSER A 16 0.779 5.370 -7.066 0.50 0.00 C ATOM 383 C ASER A 16 1.779 4.759 -9.024 0.50 0.00 C ATOM 384 C BSER A 16 1.826 4.829 -8.035 0.50 0.00 C ATOM 385 O ASER A 16 1.502 3.785 -9.723 0.50 0.00 O ATOM 386 O BSER A 16 2.432 3.785 -7.792 0.50 0.00 O ATOM 387 CB ASER A 16 2.015 4.847 -6.534 0.50 0.00 C ATOM 388 CB BSER A 16 1.411 5.606 -5.692 0.50 0.00 C ATOM 389 OG ASER A 16 2.160 6.061 -5.818 0.50 0.00 O ATOM 390 OG BSER A 16 2.822 5.710 -5.792 0.50 0.00 O ATOM 0 H ASER A 16 -0.103 3.592 -6.684 0.50 0.00 H new ATOM 0 H BSER A 16 -0.143 3.597 -6.434 0.50 0.00 H new ATOM 0 HA ASER A 16 0.669 6.035 -7.714 0.50 0.00 H new ATOM 0 HA BSER A 16 0.406 6.318 -7.454 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.650 4.068 -5.865 0.50 0.00 H new ATOM 0 HB2BSER A 16 1.006 6.518 -5.253 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.987 4.520 -6.903 0.50 0.00 H new ATOM 0 HB3BSER A 16 1.150 4.787 -5.022 0.50 0.00 H new ATOM 0 HG ASER A 16 2.781 5.929 -5.072 0.50 0.00 H new ATOM 0 HG BSER A 16 3.203 5.862 -4.902 0.50 0.00 H new ATOM 401 N AARG A 17 2.716 5.644 -9.353 0.50 0.00 N ATOM 402 N BARG A 17 2.032 5.548 -9.135 0.50 0.00 N ATOM 403 CA AARG A 17 3.486 5.516 -10.585 0.50 0.00 C ATOM 404 CA BARG A 17 3.003 5.141 -10.142 0.50 0.00 C ATOM 405 C AARG A 17 4.984 5.541 -10.293 0.50 0.00 C ATOM 406 C BARG A 17 4.405 5.057 -9.542 0.50 0.00 C ATOM 407 O AARG A 17 5.741 6.264 -10.941 0.50 0.00 O ATOM 408 O BARG A 17 4.583 5.198 -8.333 0.50 0.00 O ATOM 409 CB AARG A 17 3.125 6.644 -11.555 0.50 0.00 C ATOM 410 CB BARG A 17 2.997 6.124 -11.315 0.50 0.00 C ATOM 411 CG AARG A 17 3.464 8.029 -11.031 0.50 0.00 C ATOM 412 CG BARG A 17 3.847 7.360 -11.076 0.50 0.00 C ATOM 413 CD AARG A 17 3.903 8.957 -12.154 0.50 0.00 C ATOM 414 CD BARG A 17 3.169 8.613 -11.610 0.50 0.00 C ATOM 415 NE AARG A 17 3.021 8.868 -13.315 0.50 0.00 N ATOM 416 NE BARG A 17 2.771 8.468 -13.007 0.50 0.00 N ATOM 417 CZ AARG A 17 3.355 9.299 -14.526 0.50 0.00 C ATOM 418 CZ BARG A 17 2.363 9.479 -13.764 0.50 0.00 C ATOM 419 NH1AARG A 17 4.545 9.848 -14.732 0.50 0.00 N ATOM 420 NH1BARG A 17 2.301 10.705 -13.262 0.50 0.00 N ATOM 421 NH2AARG A 17 2.500 9.182 -15.533 0.50 0.00 N ATOM 422 NH2BARG A 17 2.019 9.267 -15.028 0.50 0.00 N ATOM 0 H AARG A 17 2.959 6.455 -8.785 0.50 0.00 H new ATOM 0 H BARG A 17 1.539 6.415 -9.350 0.50 0.00 H new ATOM 0 HA AARG A 17 3.238 4.559 -11.043 0.50 0.00 H new ATOM 0 HA BARG A 17 2.721 4.152 -10.504 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.649 6.483 -12.497 0.50 0.00 H new ATOM 0 HB2BARG A 17 3.356 5.613 -12.208 0.50 0.00 H new ATOM 0 HB3AARG A 17 2.058 6.598 -11.772 0.50 0.00 H new ATOM 0 HB3BARG A 17 1.971 6.432 -11.515 0.50 0.00 H new ATOM 0 HG2AARG A 17 2.595 8.452 -10.527 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.035 7.473 -10.008 0.50 0.00 H new ATOM 0 HG3AARG A 17 4.258 7.954 -10.288 0.50 0.00 H new ATOM 0 HG3BARG A 17 4.816 7.235 -11.559 0.50 0.00 H new ATOM 0 HD2AARG A 17 3.920 9.984 -11.790 0.50 0.00 H new ATOM 0 HD2BARG A 17 2.291 8.836 -11.004 0.50 0.00 H new ATOM 0 HD3AARG A 17 4.921 8.708 -12.453 0.50 0.00 H new ATOM 0 HD3BARG A 17 3.847 9.461 -11.513 0.50 0.00 H new ATOM 0 HE AARG A 17 2.098 8.452 -13.189 0.50 0.00 H new ATOM 0 HE BARG A 17 2.809 7.538 -13.425 0.50 0.00 H new ATOM 0 HH11AARG A 17 5.205 9.940 -13.960 0.50 0.00 H new ATOM 0 HH11BARG A 17 2.567 10.873 -12.292 0.50 0.00 H new ATOM 0 HH12AARG A 17 4.800 10.178 -15.663 0.50 0.00 H new ATOM 0 HH12BARG A 17 1.987 11.480 -13.846 0.50 0.00 H new ATOM 0 HH21AARG A 17 1.584 8.760 -15.378 0.50 0.00 H new ATOM 0 HH21BARG A 17 2.068 8.326 -15.419 0.50 0.00 H new ATOM 0 HH22AARG A 17 2.758 9.514 -16.462 0.50 0.00 H new ATOM 0 HH22BARG A 17 1.706 10.045 -15.609 0.50 0.00 H new ATOM 449 N AASN A 18 5.404 4.745 -9.314 0.50 0.00 N ATOM 450 N BASN A 18 5.396 4.825 -10.398 0.50 0.00 N ATOM 451 CA AASN A 18 6.811 4.676 -8.936 0.50 0.00 C ATOM 452 CA BASN A 18 6.781 4.720 -9.953 0.50 0.00 C ATOM 453 C AASN A 18 7.166 3.287 -8.412 0.50 0.00 C ATOM 454 C BASN A 18 6.992 3.455 -9.128 0.50 0.00 C ATOM 455 O AASN A 18 8.216 2.740 -8.740 0.50 0.00 O ATOM 456 O BASN A 18 7.567 2.477 -9.608 0.50 0.00 O ATOM 457 CB AASN A 18 7.127 5.731 -7.876 0.50 0.00 C ATOM 458 CB BASN A 18 7.167 5.951 -9.130 0.50 0.00 C ATOM 459 CG AASN A 18 7.931 6.890 -8.434 0.50 0.00 C ATOM 460 CG BASN A 18 8.225 6.795 -9.814 0.50 0.00 C ATOM 461 OD1AASN A 18 8.762 6.711 -9.324 0.50 0.00 O ATOM 462 OD1BASN A 18 9.402 6.434 -9.841 0.50 0.00 O ATOM 463 ND2AASN A 18 7.688 8.085 -7.910 0.50 0.00 N ATOM 464 ND2BASN A 18 7.808 7.926 -10.374 0.50 0.00 N ATOM 0 H AASN A 18 4.790 4.139 -8.769 0.50 0.00 H new ATOM 0 H BASN A 18 5.265 4.706 -11.403 0.50 0.00 H new ATOM 0 HA AASN A 18 7.411 4.873 -9.824 0.50 0.00 H new ATOM 0 HA BASN A 18 7.419 4.667 -10.835 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.195 6.109 -7.454 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.280 6.559 -8.953 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.681 5.267 -7.060 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.535 5.632 -8.155 0.50 0.00 H new ATOM 0 HD21AASN A 18 8.200 8.902 -8.244 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.473 8.535 -10.851 0.50 0.00 H new ATOM 0 HD22AASN A 18 6.990 8.186 -7.173 0.50 0.00 H new ATOM 0 HD22BASN A 18 6.823 8.185 -10.327 0.50 0.00 H new ATOM 477 N ASER A 19 6.280 2.726 -7.595 0.50 0.00 N ATOM 478 N BSER A 19 6.526 3.480 -7.884 0.50 0.00 N ATOM 479 CA ASER A 19 6.500 1.404 -7.020 0.50 0.00 C ATOM 480 CA BSER A 19 6.668 2.337 -6.989 0.50 0.00 C ATOM 481 C ASER A 19 5.205 0.597 -7.001 0.50 0.00 C ATOM 482 C BSER A 19 5.541 1.333 -7.210 0.50 0.00 C ATOM 483 O ASER A 19 5.049 -0.327 -6.206 0.50 0.00 O ATOM 484 O BSER A 19 5.725 0.128 -7.045 0.50 0.00 O ATOM 485 CB ASER A 19 7.060 1.528 -5.603 0.50 0.00 C ATOM 486 CB BSER A 19 6.676 2.800 -5.532 0.50 0.00 C ATOM 487 OG ASER A 19 6.124 2.149 -4.737 0.50 0.00 O ATOM 488 OG BSER A 19 5.427 3.365 -5.168 0.50 0.00 O ATOM 0 H ASER A 19 5.403 3.166 -7.316 0.50 0.00 H new ATOM 0 H BSER A 19 6.046 4.280 -7.472 0.50 0.00 H new ATOM 0 HA ASER A 19 7.224 0.879 -7.643 0.50 0.00 H new ATOM 0 HA BSER A 19 7.617 1.848 -7.211 0.50 0.00 H new ATOM 0 HB2ASER A 19 7.313 0.539 -5.221 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.900 1.956 -4.880 0.50 0.00 H new ATOM 0 HB3ASER A 19 7.983 2.108 -5.623 0.50 0.00 H new ATOM 0 HB3BSER A 19 7.468 3.535 -5.385 0.50 0.00 H new ATOM 0 HG ASER A 19 5.429 1.504 -4.490 0.50 0.00 H new ATOM 0 HG BSER A 19 5.558 4.295 -4.887 0.50 0.00 H new ATOM 499 N AGLY A 20 4.280 0.956 -7.885 0.50 0.00 N ATOM 500 N BGLY A 20 4.369 1.840 -7.585 0.50 0.00 N ATOM 501 CA AGLY A 20 3.010 0.256 -7.953 0.50 0.00 C ATOM 502 CA BGLY A 20 3.229 0.974 -7.822 0.50 0.00 C ATOM 503 C AGLY A 20 2.370 0.082 -6.590 0.50 0.00 C ATOM 504 C BGLY A 20 2.684 0.372 -6.542 0.50 0.00 C ATOM 505 O AGLY A 20 1.679 -0.906 -6.344 0.50 0.00 O ATOM 506 O BGLY A 20 2.423 -0.830 -6.477 0.50 0.00 O ATOM 0 H AGLY A 20 4.387 1.718 -8.555 0.50 0.00 H new ATOM 0 H BGLY A 20 4.190 2.834 -7.728 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.330 0.806 -8.603 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.441 1.542 -8.317 0.50 0.00 H new ATOM 0 HA3AGLY A 20 3.162 -0.723 -8.407 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.520 0.173 -8.502 0.50 0.00 H new ATOM 513 N AARG A 21 2.599 1.045 -5.704 0.50 0.00 N ATOM 514 N BARG A 21 2.509 1.207 -5.523 0.50 0.00 N ATOM 515 CA AARG A 21 2.040 0.993 -4.358 0.50 0.00 C ATOM 516 CA BARG A 21 1.993 0.748 -4.240 0.50 0.00 C ATOM 517 C AARG A 21 0.524 1.156 -4.391 0.50 0.00 C ATOM 518 C BARG A 21 0.563 1.232 -4.024 0.50 0.00 C ATOM 519 O AARG A 21 -0.007 1.965 -5.153 0.50 0.00 O ATOM 520 O BARG A 21 0.334 2.387 -3.660 0.50 0.00 O ATOM 521 CB AARG A 21 2.663 2.083 -3.482 0.50 0.00 C ATOM 522 CB BARG A 21 2.889 1.243 -3.102 0.50 0.00 C ATOM 523 CG AARG A 21 3.253 1.557 -2.184 0.50 0.00 C ATOM 524 CG BARG A 21 4.069 0.330 -2.813 0.50 0.00 C ATOM 525 CD AARG A 21 4.525 2.301 -1.810 0.50 0.00 C ATOM 526 CD BARG A 21 5.354 1.124 -2.626 0.50 0.00 C ATOM 527 NE AARG A 21 4.271 3.707 -1.512 0.50 0.00 N ATOM 528 NE BARG A 21 5.335 1.911 -1.397 0.50 0.00 N ATOM 529 CZ AARG A 21 4.483 4.692 -2.378 0.50 0.00 C ATOM 530 CZ BARG A 21 5.080 3.215 -1.364 0.50 0.00 C ATOM 531 NH1AARG A 21 4.954 4.424 -3.590 0.50 0.00 N ATOM 532 NH1BARG A 21 4.823 3.872 -2.485 0.50 0.00 N ATOM 533 NH2AARG A 21 4.227 5.947 -2.035 0.50 0.00 N ATOM 534 NH2BARG A 21 5.083 3.862 -0.205 0.50 0.00 N ATOM 0 H AARG A 21 3.167 1.871 -5.893 0.50 0.00 H new ATOM 0 H BARG A 21 2.717 2.205 -5.561 0.50 0.00 H new ATOM 0 HA AARG A 21 2.273 0.017 -3.933 0.50 0.00 H new ATOM 0 HA BARG A 21 1.991 -0.342 -4.245 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.445 2.589 -4.048 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.262 2.237 -3.351 0.50 0.00 H new ATOM 0 HB3AARG A 21 1.903 2.829 -3.250 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.290 1.345 -2.197 0.50 0.00 H new ATOM 0 HG2AARG A 21 2.521 1.659 -1.383 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.867 -0.255 -1.915 0.50 0.00 H new ATOM 0 HG3AARG A 21 3.469 0.493 -2.285 0.50 0.00 H new ATOM 0 HG3BARG A 21 4.193 -0.377 -3.633 0.50 0.00 H new ATOM 0 HD2AARG A 21 4.982 1.824 -0.943 0.50 0.00 H new ATOM 0 HD2BARG A 21 6.203 0.441 -2.606 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.241 2.228 -2.628 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.498 1.787 -3.479 0.50 0.00 H new ATOM 0 HE AARG A 21 3.911 3.947 -0.588 0.50 0.00 H new ATOM 0 HE BARG A 21 5.528 1.435 -0.516 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.154 3.460 -3.858 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.820 3.377 -3.377 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.116 5.182 -4.253 0.50 0.00 H new ATOM 0 HH12BARG A 21 4.628 4.873 -2.456 0.50 0.00 H new ATOM 0 HH21AARG A 21 3.866 6.158 -1.104 0.50 0.00 H new ATOM 0 HH21BARG A 21 5.281 3.358 0.660 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.391 6.701 -2.702 0.50 0.00 H new ATOM 0 HH22BARG A 21 4.887 4.863 -0.179 0.50 0.00 H new ATOM 561 N AVAL A 22 -0.168 0.381 -3.561 0.50 0.00 N ATOM 562 N BVAL A 22 -0.398 0.343 -4.251 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.623 0.441 -3.495 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.807 0.680 -4.081 0.50 0.00 C ATOM 565 C AVAL A 22 -2.093 0.842 -2.102 0.50 0.00 C ATOM 566 C BVAL A 22 -2.057 1.331 -2.725 0.50 0.00 C ATOM 567 O AVAL A 22 -1.536 0.404 -1.096 0.50 0.00 O ATOM 568 O BVAL A 22 -1.526 0.889 -1.705 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.257 -0.913 -3.868 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.701 -0.569 -4.212 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.771 -0.850 -3.731 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.568 -1.451 -2.980 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.858 -1.318 -5.279 0.50 0.00 C ATOM 574 CG2BVAL A 22 -4.150 -0.162 -4.433 0.50 0.00 C ATOM 0 H AVAL A 22 0.256 -0.295 -2.926 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.227 -0.616 -4.553 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.942 1.195 -4.215 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.062 1.386 -4.871 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.885 -1.670 -3.178 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.372 -1.144 -5.078 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.201 -1.815 -3.999 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.206 -2.328 -3.090 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -4.033 -0.609 -2.701 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.531 -1.768 -2.870 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.165 -0.081 -4.395 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -2.872 -0.890 -2.096 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.315 -2.277 -5.525 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.769 -1.055 -4.524 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.200 -0.561 -5.985 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.494 0.434 -3.587 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.773 -1.407 -5.339 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -4.227 0.427 -5.347 0.50 0.00 H new ATOM 593 N ATYR A 23 -3.124 1.680 -2.051 0.50 0.00 N ATOM 594 N BTYR A 23 -2.865 2.384 -2.722 0.50 0.00 N ATOM 595 CA ATYR A 23 -3.669 2.145 -0.781 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.185 3.099 -1.492 0.50 0.00 C ATOM 597 C ATYR A 23 -5.128 2.562 -0.935 0.50 0.00 C ATOM 598 C BTYR A 23 -4.639 3.561 -1.490 0.50 0.00 C ATOM 599 O ATYR A 23 -5.684 2.528 -2.033 0.50 0.00 O ATOM 600 O BTYR A 23 -5.113 4.159 -2.457 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.845 3.317 -0.246 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.256 4.304 -1.321 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.837 4.520 -1.163 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.449 5.371 -2.375 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.661 5.611 -0.917 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.303 6.444 -2.157 0.50 0.00 C ATOM 607 CD2ATYR A 23 -2.007 4.562 -2.276 0.50 0.00 C ATOM 608 CD2BTYR A 23 -1.778 5.304 -3.590 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.657 6.712 -1.751 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.482 7.421 -3.118 0.50 0.00 C ATOM 611 CE2ATYR A 23 -1.994 5.659 -3.115 0.50 0.00 C ATOM 612 CE2BTYR A 23 -1.949 6.277 -4.555 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.821 6.731 -2.851 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.803 7.333 -4.315 0.50 0.00 C ATOM 615 OH ATYR A 23 -2.814 7.825 -3.685 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.978 8.303 -5.275 0.50 0.00 O ATOM 0 H ATYR A 23 -3.598 2.051 -2.874 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.311 2.762 -3.558 0.50 0.00 H new ATOM 0 HA ATYR A 23 -3.619 1.321 -0.070 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.040 2.414 -0.657 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -3.239 3.614 0.726 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -2.421 4.743 -0.337 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.819 2.986 -0.086 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.222 3.961 -1.348 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -4.316 5.598 -0.059 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -3.836 6.516 -1.221 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -1.361 3.723 -2.489 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.111 4.477 -3.783 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -4.303 7.553 -1.545 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.150 8.249 -2.932 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.339 5.677 -3.974 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.417 6.211 -5.493 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.170 7.680 -4.409 0.50 0.00 H new ATOM 0 HH BTYR A 23 -2.427 8.092 -6.057 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.745 2.956 0.174 0.50 0.00 N ATOM 636 N BTYR A 24 -5.342 3.277 -0.400 0.50 0.00 N ATOM 637 CA ATYR A 24 -7.140 3.378 0.165 0.50 0.00 C ATOM 638 CA BTYR A 24 -6.743 3.659 -0.272 0.50 0.00 C ATOM 639 C ATYR A 24 -7.282 4.800 0.701 0.50 0.00 C ATOM 640 C BTYR A 24 -6.886 4.937 0.546 0.50 0.00 C ATOM 641 O ATYR A 24 -6.850 5.104 1.813 0.50 0.00 O ATOM 642 O BTYR A 24 -6.316 5.061 1.631 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.991 2.420 0.999 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.543 2.531 0.380 0.50 0.00 C ATOM 645 CG ATYR A 24 -8.082 1.028 0.416 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.231 1.164 -0.184 0.50 0.00 C ATOM 647 CD1ATYR A 24 -9.090 0.693 -0.479 0.50 0.00 C ATOM 648 CD1BTYR A 24 -6.890 0.107 0.654 0.50 0.00 C ATOM 649 CD2ATYR A 24 -7.160 0.048 0.759 0.50 0.00 C ATOM 650 CD2BTYR A 24 -7.274 0.925 -1.551 0.50 0.00 C ATOM 651 CE1ATYR A 24 -9.177 -0.578 -1.014 0.50 0.00 C ATOM 652 CE1BTYR A 24 -6.603 -1.144 0.146 0.50 0.00 C ATOM 653 CE2ATYR A 24 -7.238 -1.225 0.228 0.50 0.00 C ATOM 654 CE2BTYR A 24 -6.989 -0.323 -2.069 0.50 0.00 C ATOM 655 CZ ATYR A 24 -8.249 -1.533 -0.657 0.50 0.00 C ATOM 656 CZ BTYR A 24 -6.654 -1.355 -1.218 0.50 0.00 C ATOM 657 OH ATYR A 24 -8.331 -2.801 -1.189 0.50 0.00 O ATOM 658 OH BTYR A 24 -6.368 -2.600 -1.729 0.50 0.00 O ATOM 0 H ATYR A 24 -5.300 2.992 1.091 0.50 0.00 H new ATOM 0 H BTYR A 24 -4.964 2.783 0.409 0.50 0.00 H new ATOM 0 HA ATYR A 24 -7.491 3.360 -0.867 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.136 3.843 -1.272 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.574 2.357 2.004 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.343 2.527 1.451 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.996 2.831 1.096 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.607 2.732 0.255 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -9.818 1.439 -0.762 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -6.849 0.268 1.721 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.368 0.285 1.453 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -7.535 1.730 -2.222 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -9.968 -0.822 -1.708 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -6.340 -1.953 0.811 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -6.511 -1.974 0.505 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -7.028 -0.490 -3.135 0.50 0.00 H new ATOM 0 HH ATYR A 24 -7.601 -3.352 -0.836 0.50 0.00 H new ATOM 0 HH BTYR A 24 -6.450 -2.580 -2.705 0.50 0.00 H new ATOM 677 N APHE A 25 -7.892 5.669 -0.098 0.50 0.00 N ATOM 678 N BPHE A 25 -7.650 5.888 0.020 0.50 0.00 N ATOM 679 CA APHE A 25 -8.091 7.060 0.294 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.870 7.160 0.701 0.50 0.00 C ATOM 681 C APHE A 25 -9.577 7.383 0.411 0.50 0.00 C ATOM 682 C BPHE A 25 -9.292 7.662 0.469 0.50 0.00 C ATOM 683 O APHE A 25 -10.362 7.082 -0.487 0.50 0.00 O ATOM 684 O BPHE A 25 -9.767 7.710 -0.665 0.50 0.00 O ATOM 685 CB APHE A 25 -7.433 7.997 -0.720 0.50 0.00 C ATOM 686 CB BPHE A 25 -6.862 8.203 0.216 0.50 0.00 C ATOM 687 CG APHE A 25 -7.424 9.437 -0.287 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.493 9.506 -0.185 0.50 0.00 C ATOM 689 CD1APHE A 25 -8.066 10.403 -1.044 0.50 0.00 C ATOM 690 CD1BPHE A 25 -7.889 9.727 -1.492 0.50 0.00 C ATOM 691 CD2APHE A 25 -6.775 9.820 0.874 0.50 0.00 C ATOM 692 CD2BPHE A 25 -7.689 10.510 0.750 0.50 0.00 C ATOM 693 CE1APHE A 25 -8.060 11.728 -0.648 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.471 10.924 -1.863 0.50 0.00 C ATOM 695 CE2APHE A 25 -6.768 11.143 1.275 0.50 0.00 C ATOM 696 CE2BPHE A 25 -8.270 11.709 0.386 0.50 0.00 C ATOM 697 CZ APHE A 25 -7.409 12.098 0.511 0.50 0.00 C ATOM 698 CZ BPHE A 25 -8.661 11.918 -0.922 0.50 0.00 C ATOM 0 H APHE A 25 -8.257 5.435 -1.021 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.128 5.803 -0.877 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.626 7.207 1.269 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.730 7.001 1.770 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.407 7.671 -0.892 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.135 8.389 1.006 0.50 0.00 H new ATOM 0 HB3APHE A 25 -7.957 7.915 -1.672 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -6.313 7.798 -0.634 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.576 10.119 -1.952 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -7.741 8.954 -2.232 0.50 0.00 H new ATOM 0 HD2APHE A 25 -6.269 9.077 1.473 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -7.384 10.353 1.774 0.50 0.00 H new ATOM 0 HE1APHE A 25 -8.565 12.473 -1.246 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -8.777 11.082 -2.887 0.50 0.00 H new ATOM 0 HE2APHE A 25 -6.262 11.429 2.185 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -8.419 12.483 1.124 0.50 0.00 H new ATOM 0 HZ APHE A 25 -7.401 13.133 0.820 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -9.114 12.856 -1.209 0.50 0.00 H new ATOM 717 N AASN A 26 -9.957 7.999 1.526 0.50 0.00 N ATOM 718 N BASN A 26 -9.965 8.037 1.553 0.50 0.00 N ATOM 719 CA AASN A 26 -11.349 8.363 1.762 0.50 0.00 C ATOM 720 CA BASN A 26 -11.332 8.535 1.468 0.50 0.00 C ATOM 721 C AASN A 26 -11.589 9.835 1.441 0.50 0.00 C ATOM 722 C BASN A 26 -11.393 10.018 1.820 0.50 0.00 C ATOM 723 O AASN A 26 -10.870 10.711 1.921 0.50 0.00 O ATOM 724 O BASN A 26 -10.922 10.435 2.879 0.50 0.00 O ATOM 725 CB AASN A 26 -11.734 8.078 3.215 0.50 0.00 C ATOM 726 CB BASN A 26 -12.246 7.739 2.402 0.50 0.00 C ATOM 727 CG AASN A 26 -13.234 8.103 3.432 0.50 0.00 C ATOM 728 CG BASN A 26 -13.691 8.197 2.326 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.986 8.607 2.597 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.022 9.121 1.583 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.679 7.561 4.560 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.556 7.552 3.098 0.50 0.00 N ATOM 0 H AASN A 26 -9.320 8.256 2.280 0.50 0.00 H new ATOM 0 H BASN A 26 -9.585 8.005 2.499 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.972 7.759 1.103 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.675 8.409 0.441 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.344 7.103 3.507 0.50 0.00 H new ATOM 0 HB2BASN A 26 -12.189 6.681 2.147 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.264 8.817 3.864 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.889 7.839 3.427 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.679 7.552 4.762 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.541 7.816 3.091 0.50 0.00 H new ATOM 0 HD22AASN A 26 -13.021 7.154 5.225 0.50 0.00 H new ATOM 0 HD22BASN A 26 -14.236 6.792 3.698 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.606 10.099 0.625 0.50 0.00 N ATOM 746 N BHIS A 27 -11.977 10.809 0.926 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.940 11.464 0.240 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.102 12.247 1.144 0.50 0.00 C ATOM 749 C AHIS A 27 -13.862 12.110 1.271 0.50 0.00 C ATOM 750 C BHIS A 27 -12.978 12.539 2.358 0.50 0.00 C ATOM 751 O AHIS A 27 -14.138 13.308 1.208 0.50 0.00 O ATOM 752 O BHIS A 27 -12.956 13.645 2.900 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.606 11.480 -1.136 0.50 0.00 C ATOM 754 CB BHIS A 27 -12.685 12.923 -0.097 0.50 0.00 C ATOM 755 CG AHIS A 27 -15.052 11.097 -1.108 0.50 0.00 C ATOM 756 CG BHIS A 27 -13.869 12.204 -0.670 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.048 11.946 -0.669 0.50 0.00 N ATOM 758 ND1BHIS A 27 -15.021 11.962 0.048 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.672 9.948 -1.468 0.50 0.00 C ATOM 760 CD2BHIS A 27 -14.072 11.676 -1.899 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.215 11.334 -0.757 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.883 11.314 -0.715 0.50 0.00 C ATOM 763 NE2AHIS A 27 -17.016 10.122 -1.241 0.50 0.00 N ATOM 764 NE2BHIS A 27 -15.333 11.129 -1.902 0.50 0.00 N ATOM 0 H AHIS A 27 -13.211 9.386 0.219 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.371 10.480 0.045 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.015 12.038 0.195 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.107 12.649 1.333 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.512 12.478 -1.564 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -12.977 13.942 0.158 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.071 10.798 -1.797 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -11.910 12.995 -0.860 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -15.905 12.897 -0.330 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -15.198 9.060 -1.860 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -13.374 11.683 -2.723 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.171 11.754 -0.480 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -16.870 10.990 -0.419 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -15.773 10.657 -2.692 0.50 0.00 H new ATOM 779 N AILE A 28 -14.336 11.305 2.217 0.50 0.00 N ATOM 780 N BILE A 28 -13.749 11.543 2.779 0.50 0.00 N ATOM 781 CA AILE A 28 -15.226 11.799 3.261 0.50 0.00 C ATOM 782 CA BILE A 28 -14.632 11.692 3.928 0.50 0.00 C ATOM 783 C AILE A 28 -14.445 12.205 4.505 0.50 0.00 C ATOM 784 C BILE A 28 -13.874 11.491 5.236 0.50 0.00 C ATOM 785 O AILE A 28 -14.702 13.251 5.099 0.50 0.00 O ATOM 786 O BILE A 28 -14.159 12.141 6.241 0.50 0.00 O ATOM 787 CB AILE A 28 -16.277 10.740 3.650 0.50 0.00 C ATOM 788 CB BILE A 28 -15.806 10.699 3.870 0.50 0.00 C ATOM 789 CG1AILE A 28 -17.011 10.236 2.407 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.663 10.960 2.629 0.50 0.00 C ATOM 791 CG2AILE A 28 -17.263 11.317 4.656 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.650 10.801 5.133 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.224 9.391 2.722 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.014 10.278 2.673 0.50 0.00 C ATOM 0 H AILE A 28 -14.119 10.310 2.282 0.50 0.00 H new ATOM 0 H BILE A 28 -13.780 10.623 2.341 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.734 12.674 2.855 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.025 12.708 3.892 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.766 9.896 4.113 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.404 9.688 3.805 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.320 11.091 1.806 0.50 0.00 H new ATOM 0 HG12BILE A 28 -16.811 12.034 2.519 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.320 9.652 1.799 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.122 10.620 1.746 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.999 10.558 4.921 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.476 10.092 5.077 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.727 11.631 5.552 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.034 10.571 6.002 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.770 12.176 4.217 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.045 11.813 5.226 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.694 9.069 1.793 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.567 10.507 1.762 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.919 8.516 3.297 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.875 9.200 2.752 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.935 9.978 3.304 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.574 10.636 3.537 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.487 11.368 4.893 0.50 0.00 N ATOM 818 N BTHR A 29 -12.902 10.581 5.214 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.665 11.639 6.067 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.101 10.293 6.397 0.50 0.00 C ATOM 821 C ATHR A 29 -11.267 12.097 5.666 0.50 0.00 C ATOM 822 C BTHR A 29 -10.881 11.203 6.470 0.50 0.00 C ATOM 823 O ATHR A 29 -10.405 12.308 6.516 0.50 0.00 O ATOM 824 O BTHR A 29 -10.431 11.568 7.556 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.547 10.397 6.970 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.634 8.825 6.414 0.50 0.00 C ATOM 827 OG1ATHR A 29 -12.036 9.291 6.216 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.792 8.564 5.286 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.898 10.029 7.565 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.826 7.878 6.395 0.50 0.00 C ATOM 0 H ATHR A 29 -13.261 10.497 4.412 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.652 10.033 4.391 0.50 0.00 H new ATOM 0 HA ATHR A 29 -13.160 12.436 6.622 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.738 10.475 7.263 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.861 10.631 7.784 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.071 8.657 7.332 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.962 8.505 6.797 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.947 9.245 4.598 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.789 9.149 8.199 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.472 6.847 6.407 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.272 10.861 8.161 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.448 8.059 7.272 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.602 9.813 6.762 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.412 8.049 5.492 0.50 0.00 H new ATOM 845 N AASN A 30 -11.050 12.248 4.363 0.50 0.00 N ATOM 846 N BASN A 30 -10.348 11.568 5.308 0.50 0.00 N ATOM 847 CA AASN A 30 -9.756 12.681 3.849 0.50 0.00 C ATOM 848 CA BASN A 30 -9.178 12.435 5.241 0.50 0.00 C ATOM 849 C AASN A 30 -8.623 11.883 4.488 0.50 0.00 C ATOM 850 C BASN A 30 -7.954 11.743 5.827 0.50 0.00 C ATOM 851 O AASN A 30 -7.509 12.383 4.642 0.50 0.00 O ATOM 852 O BASN A 30 -7.150 12.364 6.523 0.50 0.00 O ATOM 853 CB AASN A 30 -9.553 14.175 4.111 0.50 0.00 C ATOM 854 CB BASN A 30 -9.446 13.743 5.986 0.50 0.00 C ATOM 855 CG AASN A 30 -10.861 14.941 4.121 0.50 0.00 C ATOM 856 CG BASN A 30 -8.799 14.938 5.312 0.50 0.00 C ATOM 857 OD1AASN A 30 -11.150 15.685 5.059 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.419 15.990 5.161 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.660 14.766 3.074 0.50 0.00 N ATOM 860 ND2BASN A 30 -7.545 14.777 4.903 0.50 0.00 N ATOM 0 H AASN A 30 -11.753 12.077 3.644 0.50 0.00 H new ATOM 0 H BASN A 30 -10.709 11.276 4.400 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.742 12.503 2.774 0.50 0.00 H new ATOM 0 HA BASN A 30 -8.979 12.656 4.192 0.50 0.00 H new ATOM 0 HB2AASN A 30 -9.049 14.308 5.068 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.522 13.906 6.052 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.898 14.590 3.345 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.073 13.659 7.007 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.552 15.258 3.026 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.056 15.545 4.442 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.381 14.140 2.319 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.071 13.886 5.050 0.50 0.00 H new ATOM 873 N AALA A 31 -8.916 10.640 4.855 0.50 0.00 N ATOM 874 N BALA A 31 -7.816 10.452 5.541 0.50 0.00 N ATOM 875 CA AALA A 31 -7.922 9.772 5.473 0.50 0.00 C ATOM 876 CA BALA A 31 -6.687 9.676 6.040 0.50 0.00 C ATOM 877 C AALA A 31 -7.351 8.782 4.462 0.50 0.00 C ATOM 878 C BALA A 31 -6.526 8.378 5.256 0.50 0.00 C ATOM 879 O AALA A 31 -8.005 8.441 3.476 0.50 0.00 O ATOM 880 O BALA A 31 -7.484 7.626 5.079 0.50 0.00 O ATOM 881 CB AALA A 31 -8.531 9.030 6.655 0.50 0.00 C ATOM 882 CB BALA A 31 -6.860 9.382 7.522 0.50 0.00 C ATOM 0 H AALA A 31 -9.834 10.212 4.735 0.50 0.00 H new ATOM 0 H BALA A 31 -8.472 9.922 4.967 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.104 10.397 5.832 0.50 0.00 H new ATOM 0 HA BALA A 31 -5.782 10.268 5.903 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.777 8.385 7.107 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.009 8.802 7.880 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.884 9.750 7.394 0.50 0.00 H new ATOM 0 HB2BALA A 31 -6.918 10.320 8.075 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.369 8.423 6.311 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.777 8.813 7.675 0.50 0.00 H new ATOM 893 N ASER A 32 -6.129 8.327 4.713 0.50 0.00 N ATOM 894 N BSER A 32 -5.309 8.122 4.787 0.50 0.00 N ATOM 895 CA ASER A 32 -5.468 7.380 3.822 0.50 0.00 C ATOM 896 CA BSER A 32 -5.023 6.916 4.018 0.50 0.00 C ATOM 897 C ASER A 32 -4.828 6.243 4.614 0.50 0.00 C ATOM 898 C BSER A 32 -4.156 5.952 4.820 0.50 0.00 C ATOM 899 O ASER A 32 -4.430 6.424 5.765 0.50 0.00 O ATOM 900 O BSER A 32 -3.460 6.356 5.753 0.50 0.00 O ATOM 901 CB ASER A 32 -4.406 8.092 2.983 0.50 0.00 C ATOM 902 CB BSER A 32 -4.325 7.277 2.705 0.50 0.00 C ATOM 903 OG ASER A 32 -4.334 9.470 3.312 0.50 0.00 O ATOM 904 OG BSER A 32 -2.918 7.305 2.866 0.50 0.00 O ATOM 0 H ASER A 32 -5.576 8.598 5.526 0.50 0.00 H new ATOM 0 H BSER A 32 -4.505 8.734 4.926 0.50 0.00 H new ATOM 0 HA ASER A 32 -6.222 6.958 3.158 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.970 6.424 3.795 0.50 0.00 H new ATOM 0 HB2ASER A 32 -3.435 7.625 3.147 0.50 0.00 H new ATOM 0 HB2BSER A 32 -4.592 6.552 1.936 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.639 7.980 1.924 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.674 8.250 2.360 0.50 0.00 H new ATOM 0 HG ASER A 32 -4.973 9.971 2.764 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.496 7.536 2.013 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.733 5.075 3.989 0.50 0.00 N ATOM 916 N BGLN A 33 -4.199 4.677 4.450 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.144 3.909 4.635 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.418 3.655 5.136 0.50 0.00 C ATOM 919 C AGLN A 33 -3.754 2.853 3.605 0.50 0.00 C ATOM 920 C BGLN A 33 -3.180 2.453 4.229 0.50 0.00 C ATOM 921 O AGLN A 33 -4.344 2.775 2.526 0.50 0.00 O ATOM 922 O BGLN A 33 -3.858 2.281 3.216 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.121 3.311 5.648 0.50 0.00 C ATOM 924 CB BGLN A 33 -4.130 3.210 6.415 0.50 0.00 C ATOM 925 CG AGLN A 33 -4.446 2.756 6.892 0.50 0.00 C ATOM 926 CG BGLN A 33 -5.308 2.283 6.165 0.50 0.00 C ATOM 927 CD AGLN A 33 -5.314 1.757 7.632 0.50 0.00 C ATOM 928 CD BGLN A 33 -6.329 2.322 7.286 0.50 0.00 C ATOM 929 OE1AGLN A 33 -4.864 0.665 7.979 0.50 0.00 O ATOM 930 OE1BGLN A 33 -6.235 3.142 8.199 0.50 0.00 O ATOM 931 NE2AGLN A 33 -6.565 2.127 7.876 0.50 0.00 N ATOM 932 NE2BGLN A 33 -7.312 1.433 7.221 0.50 0.00 N ATOM 0 H AGLN A 33 -5.056 4.911 3.036 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.767 4.327 3.678 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.243 4.233 5.156 0.50 0.00 H new ATOM 0 HA BGLN A 33 -2.452 4.087 5.398 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -5.837 4.077 5.945 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -3.413 2.706 7.063 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.688 2.514 5.166 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -4.480 4.092 6.952 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -3.509 2.277 6.609 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -5.792 2.560 5.228 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -4.194 3.579 7.561 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -4.944 1.263 6.046 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -6.895 3.042 7.570 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -7.351 0.771 6.446 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -7.196 1.496 8.370 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -8.029 1.411 7.946 0.50 0.00 H new ATOM 949 N APHE A 34 -2.755 2.046 3.943 0.50 0.00 N ATOM 950 N BPHE A 34 -2.213 1.620 4.600 0.50 0.00 N ATOM 951 CA APHE A 34 -2.284 0.996 3.046 0.50 0.00 C ATOM 952 CA BPHE A 34 -1.885 0.433 3.819 0.50 0.00 C ATOM 953 C APHE A 34 -3.199 -0.224 3.107 0.50 0.00 C ATOM 954 C BPHE A 34 -2.572 -0.803 4.393 0.50 0.00 C ATOM 955 O APHE A 34 -3.443 -0.881 2.096 0.50 0.00 O ATOM 956 O BPHE A 34 -1.944 -1.845 4.575 0.50 0.00 O ATOM 957 CB APHE A 34 -0.852 0.593 3.405 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.369 0.219 3.788 0.50 0.00 C ATOM 959 CG APHE A 34 0.174 1.622 3.028 0.50 0.00 C ATOM 960 CG BPHE A 34 0.415 1.500 3.749 0.50 0.00 C ATOM 961 CD1APHE A 34 0.400 1.938 1.697 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.442 2.276 2.603 0.50 0.00 C ATOM 963 CD2APHE A 34 0.912 2.272 4.002 0.50 0.00 C ATOM 964 CD2BPHE A 34 1.127 1.925 4.859 0.50 0.00 C ATOM 965 CE1APHE A 34 1.343 2.885 1.346 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.164 3.456 2.563 0.50 0.00 C ATOM 967 CE2APHE A 34 1.857 3.221 3.657 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.849 3.104 4.826 0.50 0.00 C ATOM 969 CZ APHE A 34 2.073 3.527 2.327 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.868 3.868 3.676 0.50 0.00 C ATOM 0 H APHE A 34 -2.255 2.098 4.831 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.643 1.745 5.437 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.299 1.388 2.029 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.244 0.588 2.802 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.793 0.409 4.478 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.072 -0.353 4.667 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.612 -0.347 2.907 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.112 -0.382 2.916 0.50 0.00 H new ATOM 0 HD1APHE A 34 -0.167 1.438 0.926 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.107 1.957 1.730 0.50 0.00 H new ATOM 0 HD2APHE A 34 0.748 2.035 5.043 0.50 0.00 H new ATOM 0 HD2BPHE A 34 1.118 1.329 5.760 0.50 0.00 H new ATOM 0 HE1APHE A 34 1.509 3.123 0.306 0.50 0.00 H new ATOM 0 HE1BPHE A 34 1.176 4.053 1.663 0.50 0.00 H new ATOM 0 HE2APHE A 34 2.426 3.722 4.426 0.50 0.00 H new ATOM 0 HE2BPHE A 34 2.397 3.427 5.699 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.811 4.267 2.055 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.434 4.788 3.648 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.702 -0.517 4.303 0.50 0.00 N ATOM 990 N BGLU A 35 -3.864 -0.675 4.677 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.590 -1.658 4.498 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.636 -1.781 5.231 0.50 0.00 C ATOM 993 C AGLU A 35 -6.032 -1.289 4.165 0.50 0.00 C ATOM 994 C BGLU A 35 -6.091 -1.710 4.779 0.50 0.00 C ATOM 995 O AGLU A 35 -6.339 -0.129 3.889 0.50 0.00 O ATOM 996 O BGLU A 35 -6.712 -0.646 4.820 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.499 -2.164 5.939 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.564 -1.768 6.760 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.079 -2.229 6.473 0.50 0.00 C ATOM 1000 CG BGLU A 35 -3.420 -2.595 7.323 0.50 0.00 C ATOM 1001 CD AGLU A 35 -2.797 -1.164 7.517 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.113 -1.828 7.370 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -2.373 -0.056 7.133 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -1.050 -2.458 7.187 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -3.003 -1.443 8.718 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -2.152 -0.600 7.591 0.50 0.00 O ATOM 0 H AGLU A 35 -3.510 0.019 5.150 0.50 0.00 H new ATOM 0 H BGLU A 35 -4.398 0.182 4.533 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.272 -2.452 3.822 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.204 -2.711 4.862 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -5.090 -1.512 6.582 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.459 -0.738 7.102 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -4.945 -3.157 5.995 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -5.505 -2.143 7.163 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.903 -3.213 6.907 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -3.678 -2.928 8.328 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.378 -2.116 5.646 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -3.290 -3.490 6.715 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.912 -2.284 4.194 0.50 0.00 N ATOM 1020 N BARG A 36 -6.629 -2.846 4.349 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.323 -2.065 3.893 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.010 -2.912 3.889 0.50 0.00 C ATOM 1023 C AARG A 36 -9.119 -1.818 5.172 0.50 0.00 C ATOM 1024 C BARG A 36 -8.946 -2.210 4.869 0.50 0.00 C ATOM 1025 O AARG A 36 -9.358 -2.726 5.968 0.50 0.00 O ATOM 1026 O BARG A 36 -9.234 -2.711 5.957 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.900 -3.268 3.145 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.442 -4.369 3.711 0.50 0.00 C ATOM 1029 CG AARG A 36 -10.323 -3.054 2.655 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.874 -4.524 3.227 0.50 0.00 C ATOM 1031 CD AARG A 36 -11.186 -4.281 2.901 0.50 0.00 C ATOM 1032 CD BARG A 36 -9.928 -5.039 1.797 0.50 0.00 C ATOM 1033 NE AARG A 36 -11.224 -5.166 1.739 0.50 0.00 N ATOM 1034 NE BARG A 36 -11.090 -5.892 1.565 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.595 -6.440 1.798 0.50 0.00 C ATOM 1036 CZ BARG A 36 -11.175 -6.762 0.565 0.50 0.00 C ATOM 1037 NH1AARG A 36 -11.957 -6.977 2.955 0.50 0.00 N ATOM 1038 NH1BARG A 36 -10.170 -6.892 -0.291 0.50 0.00 N ATOM 1039 NH2AARG A 36 -11.603 -7.182 0.698 0.50 0.00 N ATOM 1040 NH2BARG A 36 -12.264 -7.504 0.419 0.50 0.00 N ATOM 0 H AARG A 36 -6.674 -3.249 4.423 0.50 0.00 H new ATOM 0 H BARG A 36 -6.129 -3.734 4.310 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.401 -1.181 3.260 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.070 -2.401 2.928 0.50 0.00 H new ATOM 0 HB2AARG A 36 -8.261 -3.495 2.292 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.773 -4.853 3.000 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.877 -4.138 3.801 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.330 -4.891 4.661 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.759 -2.194 3.163 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.408 -5.212 3.883 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.312 -2.823 1.590 0.50 0.00 H new ATOM 0 HG3BARG A 36 -10.386 -3.563 3.288 0.50 0.00 H new ATOM 0 HD2AARG A 36 -10.801 -4.829 3.761 0.50 0.00 H new ATOM 0 HD2BARG A 36 -9.955 -4.194 1.109 0.50 0.00 H new ATOM 0 HD3AARG A 36 -12.199 -3.967 3.151 0.50 0.00 H new ATOM 0 HD3BARG A 36 -9.018 -5.599 1.579 0.50 0.00 H new ATOM 0 HE AARG A 36 -10.951 -4.785 0.833 0.50 0.00 H new ATOM 0 HE BARG A 36 -11.880 -5.816 2.206 0.50 0.00 H new ATOM 0 HH11AARG A 36 -11.951 -6.411 3.804 0.50 0.00 H new ATOM 0 HH11BARG A 36 -9.330 -6.323 -0.182 0.50 0.00 H new ATOM 0 HH12AARG A 36 -12.241 -7.956 2.996 0.50 0.00 H new ATOM 0 HH12BARG A 36 -10.237 -7.561 -1.058 0.50 0.00 H new ATOM 0 HH21AARG A 36 -11.324 -6.774 -0.194 0.50 0.00 H new ATOM 0 HH21BARG A 36 -13.039 -7.407 1.075 0.50 0.00 H new ATOM 0 HH22AARG A 36 -11.888 -8.160 0.745 0.50 0.00 H new ATOM 0 HH22BARG A 36 -12.327 -8.171 -0.350 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.538 -0.560 5.375 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.429 -1.021 4.478 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.312 -0.165 6.556 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.337 -0.225 5.308 0.50 0.00 C ATOM 1071 C APRO A 37 -11.725 -0.737 6.539 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.720 -0.858 5.427 0.50 0.00 C ATOM 1073 O APRO A 37 -12.239 -1.122 5.488 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.410 -1.056 4.427 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.353 1.362 6.457 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.422 1.109 4.561 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.185 1.653 5.005 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.113 0.769 3.145 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.288 0.572 4.467 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.127 -0.364 3.196 0.50 0.00 C ATOM 0 HA APRO A 37 -9.866 -0.535 7.479 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.978 -0.134 6.333 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.296 1.758 6.833 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.413 1.553 4.655 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.558 1.818 7.047 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.710 1.832 4.959 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.147 1.652 4.493 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.016 0.477 2.608 0.50 0.00 H new ATOM 0 HG3APRO A 37 -9.744 2.638 4.853 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -9.694 1.628 2.620 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.534 0.322 3.435 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.254 -1.046 2.355 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.241 0.875 4.480 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.099 -0.004 3.161 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.350 -0.793 7.711 0.50 0.00 N ATOM 1096 N BSER A 38 -12.116 -1.175 6.655 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.703 -1.322 7.834 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.415 -1.790 6.903 0.50 0.00 C ATOM 1099 C ASER A 38 -14.690 -0.212 8.183 0.50 0.00 C ATOM 1100 C BSER A 38 -14.544 -0.797 6.647 0.50 0.00 C ATOM 1101 O ASER A 38 -14.298 0.868 8.622 0.50 0.00 O ATOM 1102 O BSER A 38 -15.275 -0.911 5.663 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.751 -2.418 8.899 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.494 -2.306 8.341 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.964 -3.148 8.826 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.254 -1.264 9.271 0.50 0.00 O ATOM 0 H ASER A 38 -11.940 -0.478 8.590 0.50 0.00 H new ATOM 0 H BSER A 38 -11.557 -1.017 7.493 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.989 -1.749 6.873 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.528 -2.629 6.216 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.907 -3.095 8.767 0.50 0.00 H new ATOM 0 HB2BSER A 38 -14.478 -2.739 8.522 0.50 0.00 H new ATOM 0 HB3ASER A 38 -13.650 -1.972 9.889 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.764 -3.102 8.486 0.50 0.00 H new ATOM 0 HG ASER A 38 -14.969 -3.844 9.516 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.312 -1.619 10.182 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.977 -0.489 7.986 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.683 0.177 7.540 0.50 0.00 N ATOM 1119 CA AGLY A 39 -17.002 0.494 8.286 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.723 1.177 7.394 0.50 0.00 C ATOM 1121 C AGLY A 39 -16.729 1.834 7.632 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.383 1.525 8.714 0.50 0.00 C ATOM 1123 O AGLY A 39 -17.205 2.869 8.100 0.50 0.00 O ATOM 1124 O BGLY A 39 -15.675 1.757 9.693 0.50 0.00 O ATOM 0 H AGLY A 39 -16.327 -1.376 7.624 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.092 0.291 8.364 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -17.969 0.120 7.951 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.296 2.079 6.956 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.069 0.627 9.366 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.479 0.812 6.699 0.50 0.00 H new