USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 552 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= 0.481 K(o=1,f=-5.7!) USER MOD Set 1.2: A 29 THR OG1A: rot -82:sc= 1.29 USER MOD Set 1.3: A 29 THR OG1B: rot -163:sc= -0.724 USER MOD Set 2.1: A 13 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 5 SER OG A: rot 38:sc= 0.0189 USER MOD Single : A 5 SER OG B: rot -6:sc= 0.735 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+ -133:sc= -0.417 (180deg=-3.38!) 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 89:sc= 1.94 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= -1.17 K(o=-1.2,f=-5.1!) USER MOD Single : A 18 ASN B: amide:sc= -0.949 K(o=-0.95,f=-1.7) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.0392 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 26 ASN B: amide:sc= -1.67 K(o=-1.7,f=-15!) USER MOD Single : A 27 HIS A: no HD1:sc= -1.29 K(o=-1.3,f=-2.8!) USER MOD Single : A 27 HIS B: no HD1:sc= 0.342 K(o=0.34,f=-1.9!) USER MOD Single : A 30 ASN A: amide:sc= -0.215 X(o=-0.22,f=-0.072) USER MOD Single : A 30 ASN B: amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= 0 USER MOD Single : A 32 SER OG B: rot 180:sc= 0.0219 USER MOD Single : A 33 GLN A: amide:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 33 GLN B: amide:sc= 0.536 K(o=0.54,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= 0 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.0592 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -10.585 -4.231 -7.799 0.50 0.00 N ATOM 2 N BSER A 5 -11.748 -5.107 -7.123 0.50 0.00 N ATOM 3 CA ASER A 5 -11.203 -3.225 -6.944 0.50 0.00 C ATOM 4 CA BSER A 5 -11.563 -3.967 -6.233 0.50 0.00 C ATOM 5 C ASER A 5 -12.329 -3.835 -6.114 0.50 0.00 C ATOM 6 C BSER A 5 -11.694 -4.392 -4.774 0.50 0.00 C ATOM 7 O ASER A 5 -13.246 -4.455 -6.651 0.50 0.00 O ATOM 8 O BSER A 5 -10.702 -4.492 -4.050 0.50 0.00 O ATOM 9 CB ASER A 5 -11.745 -2.071 -7.790 0.50 0.00 C ATOM 10 CB BSER A 5 -12.583 -2.873 -6.551 0.50 0.00 C ATOM 11 OG ASER A 5 -10.694 -1.382 -8.445 0.50 0.00 O ATOM 12 OG BSER A 5 -13.595 -3.354 -7.418 0.50 0.00 O ATOM 0 HA ASER A 5 -10.441 -2.842 -6.265 0.50 0.00 H new ATOM 0 HA BSER A 5 -10.559 -3.573 -6.391 0.50 0.00 H new ATOM 0 HB2ASER A 5 -12.448 -2.456 -8.529 0.50 0.00 H new ATOM 0 HB2BSER A 5 -13.034 -2.512 -5.626 0.50 0.00 H new ATOM 0 HB3ASER A 5 -12.298 -1.379 -7.155 0.50 0.00 H new ATOM 0 HB3BSER A 5 -12.078 -2.024 -7.012 0.50 0.00 H new ATOM 0 HG ASER A 5 -10.018 -2.025 -8.744 0.50 0.00 H new ATOM 0 HG BSER A 5 -13.374 -4.264 -7.706 0.50 0.00 H new ATOM 23 N ALYS A 6 -12.251 -3.651 -4.801 0.50 0.00 N ATOM 24 N BLYS A 6 -12.928 -4.639 -4.345 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.263 -4.181 -3.893 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.192 -5.055 -2.972 0.50 0.00 C ATOM 27 C ALYS A 6 -13.282 -3.400 -2.583 0.50 0.00 C ATOM 28 C BLYS A 6 -12.709 -4.000 -1.983 0.50 0.00 C ATOM 29 O ALYS A 6 -12.886 -3.913 -1.535 0.50 0.00 O ATOM 30 O BLYS A 6 -11.521 -3.934 -1.661 0.50 0.00 O ATOM 31 CB ALYS A 6 -13.001 -5.662 -3.611 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.509 -6.394 -2.682 0.50 0.00 C ATOM 33 CG ALYS A 6 -13.505 -6.588 -4.705 0.50 0.00 C ATOM 34 CG BLYS A 6 -12.690 -7.421 -3.785 0.50 0.00 C ATOM 35 CD ALYS A 6 -13.448 -8.044 -4.274 0.50 0.00 C ATOM 36 CD BLYS A 6 -12.587 -8.839 -3.249 0.50 0.00 C ATOM 37 CE ALYS A 6 -14.836 -8.660 -4.207 0.50 0.00 C ATOM 38 CE BLYS A 6 -13.956 -9.494 -3.136 0.50 0.00 C ATOM 39 NZ ALYS A 6 -15.140 -9.476 -5.415 0.50 0.00 N ATOM 40 NZ BLYS A 6 -13.853 -10.942 -2.806 0.50 0.00 N ATOM 0 H ALYS A 6 -11.498 -3.139 -4.341 0.50 0.00 H new ATOM 0 H BLYS A 6 -13.761 -4.558 -4.928 0.50 0.00 H new ATOM 0 HA ALYS A 6 -14.236 -4.075 -4.373 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.269 -5.172 -2.854 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -11.929 -5.815 -3.482 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -11.444 -6.223 -2.528 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -13.477 -5.934 -2.669 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -12.905 -6.800 -1.751 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -14.531 -6.324 -4.962 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -13.661 -7.280 -4.259 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.905 -6.450 -5.604 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -11.934 -7.266 -4.555 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -12.832 -8.608 -4.974 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -11.952 -9.432 -3.907 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -12.969 -8.117 -3.298 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -12.107 -8.825 -2.270 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -14.913 -9.285 -3.318 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -14.539 -8.987 -2.367 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -15.580 -7.869 -4.106 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -14.495 -9.373 -4.076 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -16.095 -9.879 -5.331 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -14.807 -11.351 -2.738 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -15.092 -8.874 -6.262 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -13.319 -11.431 -3.552 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -14.446 -10.246 -5.497 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -13.361 -11.057 -1.897 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.744 -2.156 -2.648 0.50 0.00 N ATOM 68 N BLEU A 7 -13.634 -3.179 -1.501 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.816 -1.303 -1.467 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.303 -2.127 -0.545 0.50 0.00 C ATOM 71 C ALEU A 7 -15.259 -0.910 -1.165 0.50 0.00 C ATOM 72 C BLEU A 7 -14.563 -1.428 -0.045 0.50 0.00 C ATOM 73 O ALEU A 7 -16.127 -0.924 -2.039 0.50 0.00 O ATOM 74 O BLEU A 7 -15.605 -1.430 -0.702 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.963 -0.049 -1.667 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.361 -1.107 -1.187 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.479 -0.184 -1.324 0.50 0.00 C ATOM 78 CG BLEU A 7 -12.981 -0.189 -2.240 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.896 -1.433 -1.962 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.982 1.253 -1.756 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.715 1.053 -1.772 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.234 -0.310 -3.560 0.50 0.00 C ATOM 0 H ALEU A 7 -14.074 -1.716 -3.507 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.621 -3.221 -1.756 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.429 -1.866 -0.618 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.804 -2.588 0.307 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.048 0.261 -2.708 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -11.938 -0.486 -0.397 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.384 0.753 -1.060 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.533 -1.647 -1.647 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.382 -0.275 -0.242 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.014 -0.498 -2.401 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.839 -1.512 -1.707 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.427 1.892 -2.518 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.425 -2.311 -1.593 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.562 1.328 -0.836 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.004 -1.373 -3.045 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.958 1.574 -1.566 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.660 0.940 -1.520 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.689 0.351 -4.298 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.820 1.175 -2.850 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.191 -0.028 -3.415 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.117 1.931 -1.267 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.286 -1.340 -3.914 0.50 0.00 H new ATOM 105 N APRO A 8 -15.523 -0.547 0.099 0.50 0.00 N ATOM 106 N BPRO A 8 -14.467 -0.815 1.144 0.50 0.00 N ATOM 107 CA APRO A 8 -16.858 -0.141 0.542 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.589 -0.099 1.757 0.50 0.00 C ATOM 109 C APRO A 8 -17.276 1.208 -0.033 0.50 0.00 C ATOM 110 C BPRO A 8 -15.933 1.187 1.012 0.50 0.00 C ATOM 111 O APRO A 8 -16.487 1.910 -0.666 0.50 0.00 O ATOM 112 O BPRO A 8 -15.129 1.726 0.251 0.50 0.00 O ATOM 113 CB APRO A 8 -16.714 -0.051 2.065 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.080 0.221 3.165 0.50 0.00 C ATOM 115 CG APRO A 8 -15.265 0.211 2.292 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.596 0.245 3.033 0.50 0.00 C ATOM 117 CD APRO A 8 -14.537 -0.509 1.190 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.257 -0.773 1.981 0.50 0.00 C ATOM 0 HA APRO A 8 -17.626 -0.840 0.212 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.505 -0.690 1.743 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.330 0.749 2.475 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.462 1.180 3.516 0.50 0.00 H new ATOM 0 HB3APRO A 8 -17.030 -0.976 2.548 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.402 -0.533 3.883 0.50 0.00 H new ATOM 0 HG2APRO A 8 -15.053 1.280 2.267 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.246 1.236 2.744 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.951 -0.153 3.270 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.116 0.001 3.981 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.631 0.020 0.895 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.380 -0.478 1.405 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.236 -1.511 1.495 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.038 -1.746 2.420 0.50 0.00 H new ATOM 133 N APRO A 9 -18.544 1.581 0.190 0.50 0.00 N ATOM 134 N BPRO A 9 -17.157 1.690 1.231 0.50 0.00 N ATOM 135 CA APRO A 9 -19.094 2.849 -0.299 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.635 2.919 0.590 0.50 0.00 C ATOM 137 C APRO A 9 -18.508 4.054 0.430 0.50 0.00 C ATOM 138 C BPRO A 9 -16.922 4.161 1.114 0.50 0.00 C ATOM 139 O APRO A 9 -18.714 4.226 1.631 0.50 0.00 O ATOM 140 O BPRO A 9 -16.520 4.215 2.276 0.50 0.00 O ATOM 141 CB APRO A 9 -20.591 2.724 -0.006 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.120 2.959 0.961 0.50 0.00 C ATOM 143 CG APRO A 9 -20.676 1.761 1.128 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.215 2.175 2.224 0.50 0.00 C ATOM 145 CD APRO A 9 -19.539 0.794 0.937 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.168 1.101 2.125 0.50 0.00 C ATOM 0 HA APRO A 9 -18.864 3.013 -1.352 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.450 2.917 -0.484 0.50 0.00 H new ATOM 0 HB2APRO A 9 -21.024 3.688 0.260 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.465 3.983 1.104 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.136 2.359 -0.877 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.736 2.521 0.176 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.593 2.277 2.085 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.041 2.811 3.092 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.634 1.242 1.128 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.208 1.742 2.341 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.142 0.446 1.891 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.748 0.858 3.101 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.852 -0.090 0.381 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.577 0.178 1.715 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.776 4.886 -0.304 0.50 0.00 N ATOM 162 N BGLY A 10 -16.769 5.159 0.249 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.173 6.064 0.289 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.104 6.388 0.643 0.50 0.00 C ATOM 165 C AGLY A 10 -15.667 6.099 0.109 0.50 0.00 C ATOM 166 C BGLY A 10 -14.618 6.363 0.348 0.50 0.00 C ATOM 167 O AGLY A 10 -15.057 7.167 0.140 0.50 0.00 O ATOM 168 O BGLY A 10 -14.017 7.401 0.069 0.50 0.00 O ATOM 0 H AGLY A 10 -17.590 4.765 -1.300 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.094 5.139 -0.718 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.610 6.956 -0.159 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.561 7.228 0.120 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.409 6.093 1.353 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.257 6.554 1.709 0.50 0.00 H new ATOM 175 N ATRP A 11 -15.069 4.928 -0.080 0.50 0.00 N ATOM 176 N BTRP A 11 -14.023 5.177 0.410 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.626 4.828 -0.266 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.598 5.023 0.148 0.50 0.00 C ATOM 179 C ATRP A 11 -13.270 4.771 -1.746 0.50 0.00 C ATOM 180 C BTRP A 11 -12.340 4.755 -1.331 0.50 0.00 C ATOM 181 O ATRP A 11 -14.061 4.306 -2.567 0.50 0.00 O ATOM 182 O BTRP A 11 -13.129 4.083 -1.994 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.084 3.590 0.451 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.022 3.884 0.992 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.847 3.805 1.915 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.314 4.024 2.455 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.748 3.628 2.925 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.478 3.706 3.094 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.630 4.241 2.531 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.425 4.520 3.463 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.164 3.927 4.133 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.368 3.975 4.437 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.865 4.304 3.917 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.117 4.475 4.689 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.365 4.580 2.045 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.112 4.998 3.448 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.881 4.696 4.822 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.539 4.889 5.886 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.388 4.968 2.944 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.540 5.409 4.636 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.651 5.022 4.320 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.252 5.351 5.842 0.50 0.00 C ATOM 0 H ATRP A 11 -15.561 4.035 -0.108 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.506 4.308 0.639 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.167 5.718 0.164 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.103 5.955 0.421 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.787 2.767 0.322 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.428 2.937 0.637 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.149 3.287 -0.020 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.943 3.843 0.846 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.769 3.301 2.794 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.357 3.302 2.614 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.623 3.876 5.042 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.099 3.827 5.133 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.154 4.540 0.987 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.555 5.045 2.524 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -11.082 4.741 5.882 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.087 4.847 6.816 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.407 5.234 2.580 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.526 5.782 4.636 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.867 5.327 4.997 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.775 5.677 6.754 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.074 5.246 -2.082 0.50 0.00 N ATOM 224 N BGLU A 12 -11.233 5.286 -1.841 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.615 5.250 -3.465 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.875 5.104 -3.242 0.50 0.00 C ATOM 227 C AGLU A 12 -10.240 4.601 -3.584 0.50 0.00 C ATOM 228 C BGLU A 12 -9.541 4.374 -3.373 0.50 0.00 C ATOM 229 O AGLU A 12 -9.256 5.097 -3.034 0.50 0.00 O ATOM 230 O BGLU A 12 -8.628 4.579 -2.574 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.564 6.681 -4.005 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.800 6.457 -3.953 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.919 6.788 -5.480 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.939 7.397 -3.595 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.558 8.138 -6.070 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.347 8.287 -4.753 0.50 0.00 C ATOM 237 OE1AGLU A 12 -11.632 8.281 -7.308 0.50 0.00 O ATOM 238 OE1BGLU A 12 -11.485 9.035 -5.258 0.50 0.00 O ATOM 239 OE2AGLU A 12 -11.204 9.049 -5.294 0.50 0.00 O ATOM 240 OE2BGLU A 12 -13.529 8.234 -5.154 0.50 0.00 O ATOM 0 H AGLU A 12 -11.406 5.633 -1.415 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.569 5.845 -1.305 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.323 4.671 -4.057 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.649 4.497 -3.712 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.249 7.303 -3.429 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -9.853 6.936 -3.705 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.563 7.083 -3.851 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.801 6.292 -5.030 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -11.401 6.004 -6.032 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.800 6.812 -3.271 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.988 6.614 -5.606 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.640 8.019 -2.751 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.178 3.486 -4.306 0.50 0.00 N ATOM 254 N BLYS A 13 -9.437 3.521 -4.386 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.924 2.768 -4.500 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.218 2.759 -4.623 0.50 0.00 C ATOM 257 C ALYS A 13 -8.052 3.464 -5.540 0.50 0.00 C ATOM 258 C BLYS A 13 -7.443 3.328 -5.808 0.50 0.00 C ATOM 259 O ALYS A 13 -8.440 3.596 -6.700 0.50 0.00 O ATOM 260 O BLYS A 13 -7.927 3.315 -6.941 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.200 1.326 -4.933 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.550 1.288 -4.877 0.50 0.00 C ATOM 263 CG ALYS A 13 -7.942 0.503 -5.149 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.342 0.443 -5.238 0.50 0.00 C ATOM 265 CD ALYS A 13 -8.207 -0.980 -4.960 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.751 -0.938 -5.726 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.443 -1.816 -5.977 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.147 -2.035 -4.862 0.50 0.00 C ATOM 269 NZ ALYS A 13 -7.980 -3.202 -6.071 0.50 0.00 N ATOM 270 NZ BLYS A 13 -8.114 -3.138 -4.612 0.50 0.00 N ATOM 0 H ALYS A 13 -10.983 3.060 -4.766 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.184 3.340 -5.057 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.389 2.760 -3.550 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.594 2.834 -3.732 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.816 0.840 -4.176 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.020 0.872 -3.986 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.779 1.338 -5.856 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.281 1.224 -5.683 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.559 0.680 -6.154 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.763 0.947 -6.012 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -7.170 0.827 -4.451 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.693 0.345 -4.368 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -7.918 -1.277 -3.952 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.838 -1.022 -5.716 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -9.275 -1.175 -5.056 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -7.431 -1.070 -6.760 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -7.498 -1.338 -6.955 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.258 -2.435 -5.351 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.390 -1.853 -5.699 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -6.824 -1.612 -3.911 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -7.193 -3.882 -6.043 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -7.665 -3.866 -4.020 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -8.621 -3.381 -5.271 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -8.951 -2.762 -4.123 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -8.502 -3.312 -6.964 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -8.403 -3.559 -5.518 0.50 0.00 H new ATOM 297 N AARG A 14 -6.872 3.905 -5.116 0.50 0.00 N ATOM 298 N BARG A 14 -6.240 3.824 -5.540 0.50 0.00 N ATOM 299 CA AARG A 14 -5.945 4.586 -6.011 0.50 0.00 C ATOM 300 CA BARG A 14 -5.399 4.396 -6.585 0.50 0.00 C ATOM 301 C AARG A 14 -4.628 3.823 -6.114 0.50 0.00 C ATOM 302 C BARG A 14 -3.979 3.844 -6.504 0.50 0.00 C ATOM 303 O AARG A 14 -4.356 2.926 -5.317 0.50 0.00 O ATOM 304 O BARG A 14 -3.499 3.496 -5.425 0.50 0.00 O ATOM 305 CB AARG A 14 -5.685 6.012 -5.520 0.50 0.00 C ATOM 306 CB BARG A 14 -5.373 5.922 -6.469 0.50 0.00 C ATOM 307 CG AARG A 14 -6.941 6.865 -5.432 0.50 0.00 C ATOM 308 CG BARG A 14 -6.689 6.519 -5.999 0.50 0.00 C ATOM 309 CD AARG A 14 -6.786 8.164 -6.207 0.50 0.00 C ATOM 310 CD BARG A 14 -7.029 7.788 -6.764 0.50 0.00 C ATOM 311 NE AARG A 14 -8.074 8.801 -6.468 0.50 0.00 N ATOM 312 NE BARG A 14 -5.974 8.792 -6.658 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.275 9.678 -7.445 0.50 0.00 C ATOM 314 CZ BARG A 14 -6.162 10.084 -6.900 0.50 0.00 C ATOM 315 NH1AARG A 14 -7.278 10.022 -8.248 0.50 0.00 N ATOM 316 NH1BARG A 14 -7.359 10.528 -7.257 0.50 0.00 N ATOM 317 NH2AARG A 14 -9.475 10.215 -7.620 0.50 0.00 N ATOM 318 NH2BARG A 14 -5.152 10.935 -6.783 0.50 0.00 N ATOM 0 H AARG A 14 -6.536 3.803 -4.158 0.50 0.00 H new ATOM 0 H BARG A 14 -5.825 3.841 -4.608 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.398 4.627 -7.001 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.823 4.119 -7.550 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.216 5.969 -4.537 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.584 6.212 -5.775 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.975 6.494 -6.191 0.50 0.00 H new ATOM 0 HB3BARG A 14 -5.117 6.347 -7.439 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.791 6.305 -5.823 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.488 5.789 -6.129 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.159 7.087 -4.387 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.630 6.740 -4.933 0.50 0.00 H new ATOM 0 HD2AARG A 14 -6.150 8.848 -5.645 0.50 0.00 H new ATOM 0 HD2BARG A 14 -7.194 7.545 -7.814 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.282 7.964 -7.153 0.50 0.00 H new ATOM 0 HD3BARG A 14 -7.962 8.202 -6.383 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.862 8.559 -5.867 0.50 0.00 H new ATOM 0 HE BARG A 14 -5.041 8.484 -6.383 0.50 0.00 H new ATOM 0 HH11AARG A 14 -6.353 9.613 -8.117 0.50 0.00 H new ATOM 0 HH11BARG A 14 -8.139 9.877 -7.346 0.50 0.00 H new ATOM 0 HH12AARG A 14 -7.436 10.696 -8.997 0.50 0.00 H new ATOM 0 HH12BARG A 14 -7.500 11.521 -7.442 0.50 0.00 H new ATOM 0 HH21AARG A 14 -10.245 9.955 -7.004 0.50 0.00 H new ATOM 0 HH21BARG A 14 -4.230 10.597 -6.507 0.50 0.00 H new ATOM 0 HH22AARG A 14 -9.628 10.888 -8.371 0.50 0.00 H new ATOM 0 HH22BARG A 14 -5.297 11.927 -6.969 0.50 0.00 H new ATOM 345 N AMET A 15 -3.814 4.189 -7.099 0.50 0.00 N ATOM 346 N BMET A 15 -3.313 3.768 -7.651 0.50 0.00 N ATOM 347 CA AMET A 15 -2.525 3.537 -7.306 0.50 0.00 C ATOM 348 CA BMET A 15 -1.947 3.260 -7.708 0.50 0.00 C ATOM 349 C AMET A 15 -1.410 4.572 -7.439 0.50 0.00 C ATOM 350 C BMET A 15 -0.993 4.323 -8.241 0.50 0.00 C ATOM 351 O AMET A 15 -1.600 5.628 -8.041 0.50 0.00 O ATOM 352 O BMET A 15 -1.230 4.912 -9.294 0.50 0.00 O ATOM 353 CB AMET A 15 -2.570 2.654 -8.553 0.50 0.00 C ATOM 354 CB BMET A 15 -1.882 2.012 -8.590 0.50 0.00 C ATOM 355 CG AMET A 15 -1.793 1.355 -8.406 0.50 0.00 C ATOM 356 CG BMET A 15 -0.935 0.944 -8.065 0.50 0.00 C ATOM 357 SD AMET A 15 -0.296 1.323 -9.411 0.50 0.00 S ATOM 358 SD BMET A 15 -1.697 -0.689 -8.000 0.50 0.00 S ATOM 359 CE AMET A 15 -0.166 -0.428 -9.767 0.50 0.00 C ATOM 360 CE BMET A 15 -1.241 -1.340 -9.603 0.50 0.00 C ATOM 0 H AMET A 15 -4.023 4.932 -7.766 0.50 0.00 H new ATOM 0 H BMET A 15 -3.696 4.051 -8.553 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.317 2.913 -6.437 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.641 2.998 -6.695 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.609 2.422 -8.787 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.882 1.587 -8.678 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.170 3.213 -9.399 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.569 2.302 -9.593 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.526 1.212 -7.359 0.50 0.00 H new ATOM 0 HG2BMET A 15 -0.051 0.903 -8.701 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.433 0.519 -8.688 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.597 1.223 -7.067 0.50 0.00 H new ATOM 0 HE1AMET A 15 0.715 -0.610 -10.383 0.50 0.00 H new ATOM 0 HE1BMET A 15 -1.641 -2.348 -9.714 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.076 -0.983 -8.833 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.649 -0.700 -10.385 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.057 -0.758 -10.301 0.50 0.00 H new ATOM 0 HE3BMET A 15 -0.155 -1.369 -9.688 0.50 0.00 H new ATOM 379 N ASER A 16 -0.249 4.259 -6.874 0.50 0.00 N ATOM 380 N BSER A 16 0.088 4.564 -7.505 0.50 0.00 N ATOM 381 CA ASER A 16 0.894 5.162 -6.927 0.50 0.00 C ATOM 382 CA BSER A 16 1.076 5.560 -7.901 0.50 0.00 C ATOM 383 C ASER A 16 1.990 4.599 -7.828 0.50 0.00 C ATOM 384 C BSER A 16 1.832 5.111 -9.148 0.50 0.00 C ATOM 385 O ASER A 16 2.739 3.708 -7.430 0.50 0.00 O ATOM 386 O BSER A 16 2.028 3.915 -9.370 0.50 0.00 O ATOM 387 CB ASER A 16 1.448 5.402 -5.520 0.50 0.00 C ATOM 388 CB BSER A 16 2.062 5.816 -6.759 0.50 0.00 C ATOM 389 OG ASER A 16 0.928 6.596 -4.965 0.50 0.00 O ATOM 390 OG BSER A 16 1.690 6.962 -6.011 0.50 0.00 O ATOM 0 H ASER A 16 -0.075 3.387 -6.374 0.50 0.00 H new ATOM 0 H BSER A 16 0.301 4.083 -6.631 0.50 0.00 H new ATOM 0 HA ASER A 16 0.557 6.111 -7.344 0.50 0.00 H new ATOM 0 HA BSER A 16 0.548 6.486 -8.130 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.196 4.558 -4.878 0.50 0.00 H new ATOM 0 HB2BSER A 16 2.098 4.946 -6.103 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.536 5.459 -5.559 0.50 0.00 H new ATOM 0 HB3BSER A 16 3.065 5.952 -7.164 0.50 0.00 H new ATOM 0 HG ASER A 16 0.093 6.400 -4.491 0.50 0.00 H new ATOM 0 HG BSER A 16 2.335 7.103 -5.286 0.50 0.00 H new ATOM 401 N AARG A 17 2.075 5.128 -9.045 0.50 0.00 N ATOM 402 N BARG A 17 2.252 6.075 -9.959 0.50 0.00 N ATOM 403 CA AARG A 17 3.078 4.678 -10.003 0.50 0.00 C ATOM 404 CA BARG A 17 2.986 5.779 -11.183 0.50 0.00 C ATOM 405 C AARG A 17 4.487 4.938 -9.479 0.50 0.00 C ATOM 406 C BARG A 17 4.491 5.853 -10.947 0.50 0.00 C ATOM 407 O AARG A 17 4.670 5.311 -8.321 0.50 0.00 O ATOM 408 O BARG A 17 5.254 6.202 -11.848 0.50 0.00 O ATOM 409 CB AARG A 17 2.883 5.386 -11.345 0.50 0.00 C ATOM 410 CB BARG A 17 2.583 6.754 -12.292 0.50 0.00 C ATOM 411 CG AARG A 17 3.153 6.880 -11.291 0.50 0.00 C ATOM 412 CG BARG A 17 2.980 6.291 -13.684 0.50 0.00 C ATOM 413 CD AARG A 17 3.739 7.388 -12.599 0.50 0.00 C ATOM 414 CD BARG A 17 3.134 7.463 -14.639 0.50 0.00 C ATOM 415 NE AARG A 17 5.053 6.814 -12.871 0.50 0.00 N ATOM 416 NE BARG A 17 4.137 8.418 -14.177 0.50 0.00 N ATOM 417 CZ AARG A 17 6.184 7.296 -12.368 0.50 0.00 C ATOM 418 CZ BARG A 17 5.444 8.176 -14.194 0.50 0.00 C ATOM 419 NH1AARG A 17 6.161 8.357 -11.573 0.50 0.00 N ATOM 420 NH1BARG A 17 5.900 7.016 -14.649 0.50 0.00 N ATOM 421 NH2AARG A 17 7.342 6.718 -12.661 0.50 0.00 N ATOM 422 NH2BARG A 17 6.295 9.095 -13.757 0.50 0.00 N ATOM 0 H AARG A 17 1.463 5.867 -9.390 0.50 0.00 H new ATOM 0 H BARG A 17 2.097 7.069 -9.791 0.50 0.00 H new ATOM 0 HA AARG A 17 2.955 3.604 -10.143 0.50 0.00 H new ATOM 0 HA BARG A 17 2.735 4.764 -11.491 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.543 4.933 -12.084 0.50 0.00 H new ATOM 0 HB2BARG A 17 1.503 6.900 -12.261 0.50 0.00 H new ATOM 0 HB3AARG A 17 1.861 5.222 -11.687 0.50 0.00 H new ATOM 0 HB3BARG A 17 3.041 7.723 -12.096 0.50 0.00 H new ATOM 0 HG2AARG A 17 2.226 7.411 -11.076 0.50 0.00 H new ATOM 0 HG2BARG A 17 3.918 5.738 -13.631 0.50 0.00 H new ATOM 0 HG3AARG A 17 3.841 7.097 -10.474 0.50 0.00 H new ATOM 0 HG3BARG A 17 2.226 5.604 -14.069 0.50 0.00 H new ATOM 0 HD2AARG A 17 3.061 7.146 -13.418 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.414 7.092 -15.625 0.50 0.00 H new ATOM 0 HD3AARG A 17 3.819 8.474 -12.562 0.50 0.00 H new ATOM 0 HD3BARG A 17 2.175 7.969 -14.749 0.50 0.00 H new ATOM 0 HE AARG A 17 5.106 5.998 -13.481 0.50 0.00 H new ATOM 0 HE BARG A 17 3.818 9.319 -13.822 0.50 0.00 H new ATOM 0 HH11AARG A 17 5.273 8.805 -11.346 0.50 0.00 H new ATOM 0 HH11BARG A 17 5.247 6.308 -14.986 0.50 0.00 H new ATOM 0 HH12AARG A 17 7.031 8.725 -11.188 0.50 0.00 H new ATOM 0 HH12BARG A 17 6.903 6.832 -14.661 0.50 0.00 H new ATOM 0 HH21AARG A 17 7.364 5.902 -13.273 0.50 0.00 H new ATOM 0 HH21BARG A 17 5.947 9.988 -13.408 0.50 0.00 H new ATOM 0 HH22AARG A 17 8.210 7.089 -12.274 0.50 0.00 H new ATOM 0 HH22BARG A 17 7.298 8.909 -13.770 0.50 0.00 H new ATOM 449 N AASN A 18 5.480 4.738 -10.340 0.50 0.00 N ATOM 450 N BASN A 18 4.911 5.524 -9.729 0.50 0.00 N ATOM 451 CA AASN A 18 6.873 4.950 -9.964 0.50 0.00 C ATOM 452 CA BASN A 18 6.326 5.555 -9.375 0.50 0.00 C ATOM 453 C AASN A 18 7.356 3.848 -9.024 0.50 0.00 C ATOM 454 C BASN A 18 6.602 4.667 -8.166 0.50 0.00 C ATOM 455 O AASN A 18 8.226 3.054 -9.380 0.50 0.00 O ATOM 456 O BASN A 18 7.519 4.929 -7.387 0.50 0.00 O ATOM 457 CB AASN A 18 7.040 6.316 -9.295 0.50 0.00 C ATOM 458 CB BASN A 18 6.769 6.990 -9.081 0.50 0.00 C ATOM 459 CG AASN A 18 8.291 7.037 -9.758 0.50 0.00 C ATOM 460 CG BASN A 18 7.066 7.773 -10.345 0.50 0.00 C ATOM 461 OD1AASN A 18 9.104 6.481 -10.495 0.50 0.00 O ATOM 462 OD1BASN A 18 7.730 7.276 -11.255 0.50 0.00 O ATOM 463 ND2AASN A 18 8.450 8.283 -9.325 0.50 0.00 N ATOM 464 ND2BASN A 18 6.578 9.006 -10.405 0.50 0.00 N ATOM 0 H AASN A 18 5.346 4.429 -11.303 0.50 0.00 H new ATOM 0 H BASN A 18 4.293 5.233 -8.972 0.50 0.00 H new ATOM 0 HA AASN A 18 7.477 4.921 -10.871 0.50 0.00 H new ATOM 0 HA BASN A 18 6.896 5.173 -10.222 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.168 6.933 -9.511 0.50 0.00 H new ATOM 0 HB2BASN A 18 5.989 7.500 -8.516 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.078 6.186 -8.213 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.658 6.971 -8.451 0.50 0.00 H new ATOM 0 HD21AASN A 18 9.272 8.818 -9.603 0.50 0.00 H new ATOM 0 HD21BASN A 18 6.748 9.582 -11.229 0.50 0.00 H new ATOM 0 HD22AASN A 18 7.750 8.704 -8.715 0.50 0.00 H new ATOM 0 HD22BASN A 18 6.033 9.377 -9.627 0.50 0.00 H new ATOM 477 N ASER A 19 6.785 3.809 -7.825 0.50 0.00 N ATOM 478 N BSER A 19 5.802 3.616 -8.014 0.50 0.00 N ATOM 479 CA ASER A 19 7.159 2.806 -6.833 0.50 0.00 C ATOM 480 CA BSER A 19 5.958 2.692 -6.898 0.50 0.00 C ATOM 481 C ASER A 19 6.269 1.573 -6.945 0.50 0.00 C ATOM 482 C BSER A 19 4.993 1.517 -7.026 0.50 0.00 C ATOM 483 O ASER A 19 6.678 0.465 -6.601 0.50 0.00 O ATOM 484 O BSER A 19 5.369 0.364 -6.819 0.50 0.00 O ATOM 485 CB ASER A 19 7.062 3.394 -5.423 0.50 0.00 C ATOM 486 CB BSER A 19 5.723 3.416 -5.571 0.50 0.00 C ATOM 487 OG ASER A 19 8.339 3.459 -4.811 0.50 0.00 O ATOM 488 OG BSER A 19 4.394 3.898 -5.482 0.50 0.00 O ATOM 0 H ASER A 19 6.062 4.459 -7.516 0.50 0.00 H new ATOM 0 H BSER A 19 5.039 3.384 -8.650 0.50 0.00 H new ATOM 0 HA ASER A 19 8.189 2.506 -7.025 0.50 0.00 H new ATOM 0 HA BSER A 19 6.978 2.307 -6.918 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.626 4.392 -5.470 0.50 0.00 H new ATOM 0 HB2BSER A 19 5.923 2.737 -4.742 0.50 0.00 H new ATOM 0 HB3ASER A 19 6.394 2.783 -4.815 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.422 4.247 -5.478 0.50 0.00 H new ATOM 0 HG ASER A 19 8.252 3.839 -3.912 0.50 0.00 H new ATOM 0 HG BSER A 19 4.269 4.355 -4.624 0.50 0.00 H new ATOM 499 N AGLY A 20 5.047 1.774 -7.429 0.50 0.00 N ATOM 500 N BGLY A 20 3.745 1.819 -7.372 0.50 0.00 N ATOM 501 CA AGLY A 20 4.117 0.669 -7.578 0.50 0.00 C ATOM 502 CA BGLY A 20 2.744 0.779 -7.521 0.50 0.00 C ATOM 503 C AGLY A 20 3.556 0.201 -6.251 0.50 0.00 C ATOM 504 C BGLY A 20 2.027 0.472 -6.222 0.50 0.00 C ATOM 505 O AGLY A 20 3.690 -0.968 -5.891 0.50 0.00 O ATOM 506 O BGLY A 20 0.977 -0.171 -6.222 0.50 0.00 O ATOM 0 H AGLY A 20 4.684 2.682 -7.721 0.50 0.00 H new ATOM 0 H BGLY A 20 3.410 2.765 -7.552 0.50 0.00 H new ATOM 0 HA2AGLY A 20 3.297 0.973 -8.229 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.015 1.086 -8.271 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.622 -0.163 -8.069 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.220 -0.128 -7.892 0.50 0.00 H new ATOM 513 N AARG A 21 2.928 1.117 -5.519 0.50 0.00 N ATOM 514 N BARG A 21 2.595 0.930 -5.112 0.50 0.00 N ATOM 515 CA AARG A 21 2.348 0.791 -4.221 0.50 0.00 C ATOM 516 CA BARG A 21 2.005 0.700 -3.799 0.50 0.00 C ATOM 517 C AARG A 21 0.874 1.180 -4.172 0.50 0.00 C ATOM 518 C BARG A 21 0.598 1.284 -3.725 0.50 0.00 C ATOM 519 O AARG A 21 0.472 2.206 -4.724 0.50 0.00 O ATOM 520 O BARG A 21 0.422 2.478 -3.481 0.50 0.00 O ATOM 521 CB AARG A 21 3.113 1.503 -3.103 0.50 0.00 C ATOM 522 CB BARG A 21 2.882 1.312 -2.707 0.50 0.00 C ATOM 523 CG AARG A 21 3.740 0.556 -2.096 0.50 0.00 C ATOM 524 CG BARG A 21 4.029 0.415 -2.271 0.50 0.00 C ATOM 525 CD AARG A 21 5.086 1.071 -1.610 0.50 0.00 C ATOM 526 CD BARG A 21 5.255 1.228 -1.886 0.50 0.00 C ATOM 527 NE AARG A 21 4.946 2.253 -0.764 0.50 0.00 N ATOM 528 NE BARG A 21 5.015 2.058 -0.710 0.50 0.00 N ATOM 529 CZ AARG A 21 5.117 3.495 -1.205 0.50 0.00 C ATOM 530 CZ BARG A 21 4.715 3.350 -0.769 0.50 0.00 C ATOM 531 NH1AARG A 21 5.429 3.716 -2.475 0.50 0.00 N ATOM 532 NH1BARG A 21 4.619 3.958 -1.945 0.50 0.00 N ATOM 533 NH2AARG A 21 4.972 4.520 -0.375 0.50 0.00 N ATOM 534 NH2BARG A 21 4.510 4.038 0.347 0.50 0.00 N ATOM 0 H AARG A 21 2.808 2.089 -5.803 0.50 0.00 H new ATOM 0 H BARG A 21 3.464 1.463 -5.096 0.50 0.00 H new ATOM 0 HA AARG A 21 2.427 -0.286 -4.076 0.50 0.00 H new ATOM 0 HA BARG A 21 1.941 -0.377 -3.641 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.896 2.119 -3.545 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.288 2.257 -3.067 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.433 2.177 -2.581 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.262 1.541 -1.841 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.069 0.430 -1.246 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.714 -0.194 -1.424 0.50 0.00 H new ATOM 0 HG3AARG A 21 3.867 -0.427 -2.550 0.50 0.00 H new ATOM 0 HG3BARG A 21 4.284 -0.270 -3.079 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.595 0.285 -1.053 0.50 0.00 H new ATOM 0 HD2BARG A 21 6.089 0.555 -1.690 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.714 1.312 -2.468 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.547 1.862 -2.723 0.50 0.00 H new ATOM 0 HE AARG A 21 4.704 2.118 0.218 0.50 0.00 H new ATOM 0 HE BARG A 21 5.081 1.621 0.209 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.539 2.931 -3.117 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.776 3.433 -2.805 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.559 4.671 -2.809 0.50 0.00 H new ATOM 0 HH12BARG A 21 4.388 4.951 -1.989 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.729 4.355 0.602 0.50 0.00 H new ATOM 0 HH21BARG A 21 4.583 3.574 1.253 0.50 0.00 H new ATOM 0 HH22AARG A 21 5.103 5.473 -0.714 0.50 0.00 H new ATOM 0 HH22BARG A 21 4.280 5.031 0.299 0.50 0.00 H new ATOM 561 N AVAL A 22 0.070 0.354 -3.508 0.50 0.00 N ATOM 562 N BVAL A 22 -0.403 0.436 -3.939 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.359 0.612 -3.387 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.795 0.867 -3.896 0.50 0.00 C ATOM 565 C AVAL A 22 -1.658 1.492 -2.179 0.50 0.00 C ATOM 566 C BVAL A 22 -2.215 1.225 -2.475 0.50 0.00 C ATOM 567 O AVAL A 22 -1.097 1.297 -1.101 0.50 0.00 O ATOM 568 O BVAL A 22 -1.742 0.628 -1.508 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.158 -0.699 -3.263 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.737 -0.222 -4.440 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.640 -0.407 -3.091 0.50 0.00 C ATOM 572 CG1BVAL A 22 -3.042 -1.252 -3.364 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.917 -1.585 -4.475 0.50 0.00 C ATOM 574 CG2BVAL A 22 -4.019 0.401 -4.971 0.50 0.00 C ATOM 0 H AVAL A 22 0.385 -0.499 -3.046 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.275 -0.555 -4.144 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.665 1.131 -4.296 0.50 0.00 H new ATOM 0 HA BVAL A 22 -1.873 1.751 -4.528 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.813 -1.233 -2.377 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.238 -0.731 -5.264 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.188 -1.345 -3.005 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.709 -2.013 -3.768 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.792 0.186 -2.189 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -2.114 -1.720 -3.035 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.004 0.148 -3.955 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.521 -0.762 -2.517 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.489 -2.507 -4.371 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.674 -0.383 -5.352 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.233 -1.061 -5.377 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.524 0.936 -4.167 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.856 -1.823 -4.547 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -3.780 1.096 -5.775 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.546 2.461 -2.364 0.50 0.00 N ATOM 594 N BTYR A 23 -3.107 2.202 -2.357 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.920 3.374 -1.289 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.592 2.641 -1.053 0.50 0.00 C ATOM 597 C ATYR A 23 -4.379 3.802 -1.419 0.50 0.00 C ATOM 598 C BTYR A 23 -5.075 2.993 -1.114 0.50 0.00 C ATOM 599 O ATYR A 23 -4.842 4.145 -2.507 0.50 0.00 O ATOM 600 O BTYR A 23 -5.693 2.946 -2.177 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.012 4.606 -1.300 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.788 3.849 -0.567 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.318 5.574 -2.421 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.865 5.041 -1.495 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.256 6.586 -2.255 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.744 6.087 -1.242 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.672 5.475 -3.647 0.50 0.00 C ATOM 608 CD2BTYR A 23 -2.062 5.118 -2.626 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.539 7.471 -3.277 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.818 7.177 -2.087 0.50 0.00 C ATOM 611 CE2ATYR A 23 -1.948 6.357 -4.674 0.50 0.00 C ATOM 612 CE2BTYR A 23 -2.129 6.205 -3.476 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.882 7.354 -4.484 0.50 0.00 C ATOM 614 CZ BTYR A 23 -3.010 7.232 -3.202 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.162 8.233 -5.504 0.50 0.00 O ATOM 616 OH BTYR A 23 -3.080 8.316 -4.048 0.50 0.00 O ATOM 0 H ATYR A 23 -3.022 2.636 -3.249 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.509 2.705 -3.148 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.798 2.849 -0.342 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.461 1.819 -0.349 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.107 5.126 -0.347 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.149 4.143 0.419 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -0.975 4.282 -1.384 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.744 3.557 -0.450 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.772 6.682 -1.311 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -4.380 6.047 -0.370 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -0.941 4.695 -3.800 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.374 4.315 -2.844 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -4.272 8.251 -3.132 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.506 7.982 -1.875 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.435 6.266 -5.620 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.496 6.251 -4.350 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.613 8.013 -6.285 0.50 0.00 H new ATOM 0 HH BTYR A 23 -2.444 8.198 -4.784 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.096 3.777 -0.301 0.50 0.00 N ATOM 636 N BTYR A 24 -5.639 3.347 0.037 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.503 4.161 -0.288 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.050 3.705 0.117 0.50 0.00 C ATOM 639 C ATYR A 24 -6.674 5.592 0.210 0.50 0.00 C ATOM 640 C BTYR A 24 -7.224 5.099 0.712 0.50 0.00 C ATOM 641 O ATYR A 24 -5.865 6.089 0.994 0.50 0.00 O ATOM 642 O BTYR A 24 -6.823 5.357 1.847 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.307 3.203 0.593 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.812 2.680 0.960 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.049 1.744 0.292 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.872 1.306 0.332 0.50 0.00 C ATOM 647 CD1ATYR A 24 -6.554 0.890 1.271 0.50 0.00 C ATOM 648 CD1BTYR A 24 -6.851 0.385 0.530 0.50 0.00 C ATOM 649 CD2ATYR A 24 -7.300 1.219 -0.970 0.50 0.00 C ATOM 650 CD2BTYR A 24 -8.950 0.928 -0.460 0.50 0.00 C ATOM 651 CE1ATYR A 24 -6.317 -0.445 1.000 0.50 0.00 C ATOM 652 CE1BTYR A 24 -6.901 -0.872 -0.042 0.50 0.00 C ATOM 653 CE2ATYR A 24 -7.067 -0.114 -1.249 0.50 0.00 C ATOM 654 CE2BTYR A 24 -9.009 -0.325 -1.034 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.576 -0.942 -0.262 0.50 0.00 C ATOM 656 CZ BTYR A 24 -7.983 -1.222 -0.822 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.342 -2.270 -0.535 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.038 -2.473 -1.394 0.50 0.00 O ATOM 0 H ATYR A 24 -4.727 3.495 0.607 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.141 3.393 0.926 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.877 4.105 -1.310 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.456 3.707 -0.894 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.069 3.397 1.639 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.339 2.603 1.939 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.370 3.410 0.465 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.828 3.040 1.125 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -6.351 1.276 2.259 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -6.003 0.656 1.142 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -7.684 1.864 -1.746 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -9.755 1.627 -0.629 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -5.931 -1.095 1.771 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -6.098 -1.576 0.121 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -7.268 -0.505 -2.235 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -9.854 -0.602 -1.646 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.577 -2.459 -1.468 0.50 0.00 H new ATOM 0 HH BTYR A 24 -8.866 -2.560 -1.911 0.50 0.00 H new ATOM 677 N APHE A 25 -7.733 6.251 -0.251 0.50 0.00 N ATOM 678 N BPHE A 25 -7.827 5.995 -0.063 0.50 0.00 N ATOM 679 CA APHE A 25 -8.011 7.625 0.148 0.50 0.00 C ATOM 680 CA BPHE A 25 -8.055 7.364 0.385 0.50 0.00 C ATOM 681 C APHE A 25 -9.503 7.829 0.392 0.50 0.00 C ATOM 682 C BPHE A 25 -9.546 7.686 0.411 0.50 0.00 C ATOM 683 O APHE A 25 -10.322 7.650 -0.508 0.50 0.00 O ATOM 684 O BPHE A 25 -10.256 7.470 -0.570 0.50 0.00 O ATOM 685 CB APHE A 25 -7.521 8.599 -0.926 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.325 8.351 -0.528 0.50 0.00 C ATOM 687 CG APHE A 25 -6.888 9.841 -0.366 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.615 9.789 -0.209 0.50 0.00 C ATOM 689 CD1APHE A 25 -5.513 9.933 -0.234 0.50 0.00 C ATOM 690 CD1BPHE A 25 -6.939 10.437 0.812 0.50 0.00 C ATOM 691 CD2APHE A 25 -7.670 10.915 0.028 0.50 0.00 C ATOM 692 CD2BPHE A 25 -8.564 10.494 -0.932 0.50 0.00 C ATOM 693 CE1APHE A 25 -4.927 11.074 0.281 0.50 0.00 C ATOM 694 CE1BPHE A 25 -7.203 11.761 1.107 0.50 0.00 C ATOM 695 CE2APHE A 25 -7.090 12.059 0.542 0.50 0.00 C ATOM 696 CE2BPHE A 25 -8.832 11.819 -0.641 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.717 12.139 0.670 0.50 0.00 C ATOM 698 CZ BPHE A 25 -8.151 12.453 0.381 0.50 0.00 C ATOM 0 H APHE A 25 -8.412 5.855 -0.901 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.167 5.797 -1.004 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.478 7.822 1.078 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.662 7.458 1.397 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.800 8.090 -1.565 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.251 8.179 -0.451 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.362 8.883 -1.558 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.606 8.153 -1.562 0.50 0.00 H new ATOM 0 HD1APHE A 25 -4.891 9.104 -0.537 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -6.197 9.901 1.384 0.50 0.00 H new ATOM 0 HD2APHE A 25 -8.744 10.857 -0.068 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -9.100 10.003 -1.731 0.50 0.00 H new ATOM 0 HE1APHE A 25 -3.853 11.133 0.379 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -6.668 12.254 1.905 0.50 0.00 H new ATOM 0 HE2APHE A 25 -7.710 12.890 0.844 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -9.573 12.358 -1.212 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.262 13.032 1.073 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -8.360 13.487 0.611 0.50 0.00 H new ATOM 717 N AASN A 26 -9.850 8.204 1.620 0.50 0.00 N ATOM 718 N BASN A 26 -10.014 8.203 1.541 0.50 0.00 N ATOM 719 CA AASN A 26 -11.243 8.431 1.985 0.50 0.00 C ATOM 720 CA BASN A 26 -11.421 8.555 1.698 0.50 0.00 C ATOM 721 C AASN A 26 -11.633 9.889 1.762 0.50 0.00 C ATOM 722 C BASN A 26 -11.582 10.046 1.978 0.50 0.00 C ATOM 723 O AASN A 26 -11.059 10.796 2.366 0.50 0.00 O ATOM 724 O BASN A 26 -10.985 10.580 2.915 0.50 0.00 O ATOM 725 CB AASN A 26 -11.478 8.047 3.448 0.50 0.00 C ATOM 726 CB BASN A 26 -12.049 7.740 2.830 0.50 0.00 C ATOM 727 CG AASN A 26 -12.951 7.995 3.801 0.50 0.00 C ATOM 728 CG BASN A 26 -13.533 8.016 2.986 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.384 8.586 4.790 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.110 8.804 2.239 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.730 7.284 2.993 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.155 7.365 3.963 0.50 0.00 N ATOM 0 H AASN A 26 -9.185 8.357 2.378 0.50 0.00 H new ATOM 0 H BASN A 26 -9.439 8.388 2.363 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.866 7.805 1.347 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.934 8.323 0.765 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.026 7.075 3.643 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.898 6.678 2.637 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.977 8.767 4.095 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.539 7.969 3.766 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.730 7.212 3.182 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.153 7.510 4.118 0.50 0.00 H new ATOM 0 HD22AASN A 26 -13.328 6.810 2.184 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.635 6.720 4.558 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.612 10.108 0.890 0.50 0.00 N ATOM 746 N BHIS A 27 -12.392 10.713 1.163 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.081 11.456 0.587 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.633 12.142 1.324 0.50 0.00 C ATOM 749 C AHIS A 27 -14.067 11.940 1.647 0.50 0.00 C ATOM 750 C BHIS A 27 -13.470 12.414 2.570 0.50 0.00 C ATOM 751 O AHIS A 27 -14.576 13.057 1.569 0.50 0.00 O ATOM 752 O BHIS A 27 -13.514 13.542 3.064 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.738 11.492 -0.792 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.337 12.705 0.088 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.964 10.638 -0.894 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.548 11.923 -0.320 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.147 10.942 -0.257 0.50 0.00 N ATOM 758 ND1BHIS A 27 -14.477 10.754 -1.048 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.186 9.485 -1.568 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.863 12.146 -0.095 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.044 10.012 -0.531 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.698 10.293 -1.255 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.485 9.116 -1.325 0.50 0.00 N ATOM 764 NE2BHIS A 27 -16.557 11.120 -0.687 0.50 0.00 N ATOM 0 H AHIS A 27 -13.096 9.369 0.380 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.893 10.286 0.384 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.219 12.123 0.587 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.669 12.638 1.440 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -14.002 12.522 -1.033 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.630 13.736 0.285 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.014 11.165 -1.539 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.632 12.727 -0.743 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.474 8.955 -2.182 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -16.288 12.977 0.449 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.061 9.988 -0.168 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -15.950 9.393 -1.796 0.50 0.00 H new ATOM 0 HE2AHIS A 27 -16.945 8.285 -1.697 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -17.571 11.014 -0.688 0.50 0.00 H new ATOM 779 N AILE A 28 -14.330 11.091 2.634 0.50 0.00 N ATOM 780 N BILE A 28 -14.134 11.378 3.070 0.50 0.00 N ATOM 781 CA AILE A 28 -15.255 11.431 3.708 0.50 0.00 C ATOM 782 CA BILE A 28 -14.968 11.506 4.257 0.50 0.00 C ATOM 783 C AILE A 28 -14.506 11.930 4.939 0.50 0.00 C ATOM 784 C BILE A 28 -14.121 11.533 5.525 0.50 0.00 C ATOM 785 O AILE A 28 -14.918 12.898 5.580 0.50 0.00 O ATOM 786 O BILE A 28 -14.374 12.321 6.437 0.50 0.00 O ATOM 787 CB AILE A 28 -16.126 10.225 4.104 0.50 0.00 C ATOM 788 CB BILE A 28 -15.987 10.354 4.358 0.50 0.00 C ATOM 789 CG1AILE A 28 -17.033 9.819 2.942 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.880 10.325 3.116 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.954 10.553 5.340 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.827 10.497 5.618 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.072 8.786 3.317 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.139 9.508 3.297 0.50 0.00 C ATOM 0 H AILE A 28 -13.916 10.162 2.712 0.50 0.00 H new ATOM 0 H BILE A 28 -14.110 10.440 2.671 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.900 12.225 3.331 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.507 12.449 4.163 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.472 9.385 4.340 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.443 9.411 4.414 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.537 10.706 2.558 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.154 11.346 2.851 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.418 9.426 2.132 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.311 9.921 2.279 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.565 9.691 5.608 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.541 9.676 5.674 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.290 10.799 6.168 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.177 10.473 6.493 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.601 11.404 5.129 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.365 11.445 5.591 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.679 8.546 2.444 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.724 9.532 2.377 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.576 7.883 3.673 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.873 8.477 3.531 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.712 9.183 4.105 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.729 9.925 4.113 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.403 11.264 5.264 0.50 0.00 N ATOM 818 N BTHR A 29 -13.115 10.667 5.576 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.595 11.640 6.419 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.229 10.590 6.731 0.50 0.00 C ATOM 821 C ATHR A 29 -11.200 12.080 5.994 0.50 0.00 C ATOM 822 C BTHR A 29 -11.088 11.595 6.616 0.50 0.00 C ATOM 823 O ATHR A 29 -10.325 12.296 6.831 0.50 0.00 O ATOM 824 O BTHR A 29 -10.521 12.023 7.621 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.473 10.478 7.421 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.639 9.177 6.895 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.892 9.336 6.780 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.870 8.830 5.737 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.835 10.107 7.989 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.743 8.151 7.103 0.50 0.00 C ATOM 0 H ATHR A 29 -13.048 10.461 4.744 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.893 10.008 4.830 0.50 0.00 H new ATOM 0 HA ATHR A 29 -13.103 12.474 6.903 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.832 10.827 7.608 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.830 10.801 8.240 0.50 0.00 H new ATOM 0 HB BTHR A 29 -10.993 9.176 7.773 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -12.585 8.850 6.287 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.725 7.861 5.719 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.723 9.284 8.694 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.302 7.160 7.216 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.262 10.969 8.502 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.308 8.402 8.001 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.497 9.803 7.178 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.410 8.155 6.241 0.50 0.00 H new ATOM 845 N AASN A 30 -10.997 12.209 4.686 0.50 0.00 N ATOM 846 N BASN A 30 -10.756 11.968 5.385 0.50 0.00 N ATOM 847 CA AASN A 30 -9.706 12.623 4.150 0.50 0.00 C ATOM 848 CA BASN A 30 -9.682 12.923 5.139 0.50 0.00 C ATOM 849 C AASN A 30 -8.568 11.858 4.820 0.50 0.00 C ATOM 850 C BASN A 30 -8.330 12.335 5.532 0.50 0.00 C ATOM 851 O AASN A 30 -7.455 12.367 4.947 0.50 0.00 O ATOM 852 O BASN A 30 -7.462 13.039 6.047 0.50 0.00 O ATOM 853 CB AASN A 30 -9.508 14.128 4.344 0.50 0.00 C ATOM 854 CB BASN A 30 -9.934 14.217 5.915 0.50 0.00 C ATOM 855 CG AASN A 30 -10.822 14.870 4.494 0.50 0.00 C ATOM 856 CG BASN A 30 -9.492 15.449 5.147 0.50 0.00 C ATOM 857 OD1AASN A 30 -11.056 15.547 5.494 0.50 0.00 O ATOM 858 OD1BASN A 30 -10.204 16.450 5.095 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.687 14.743 3.494 0.50 0.00 N ATOM 860 ND2BASN A 30 -8.309 15.378 4.547 0.50 0.00 N ATOM 0 H AASN A 30 -11.710 12.033 3.979 0.50 0.00 H new ATOM 0 H BASN A 30 -11.215 11.623 4.542 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.694 12.397 3.084 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.665 13.145 4.072 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.894 14.300 5.228 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.996 14.298 6.146 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.961 14.532 3.492 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.404 14.176 6.866 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.589 15.218 3.536 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.958 16.175 4.016 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.450 14.171 2.684 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.752 14.526 4.617 0.50 0.00 H new ATOM 873 N AALA A 31 -8.857 10.632 5.245 0.50 0.00 N ATOM 874 N BALA A 31 -8.160 11.041 5.286 0.50 0.00 N ATOM 875 CA AALA A 31 -7.859 9.796 5.899 0.50 0.00 C ATOM 876 CA BALA A 31 -6.914 10.358 5.612 0.50 0.00 C ATOM 877 C AALA A 31 -7.157 8.889 4.894 0.50 0.00 C ATOM 878 C BALA A 31 -6.698 9.149 4.709 0.50 0.00 C ATOM 879 O AALA A 31 -7.747 8.485 3.891 0.50 0.00 O ATOM 880 O BALA A 31 -7.652 8.467 4.330 0.50 0.00 O ATOM 881 CB AALA A 31 -8.504 8.966 7.000 0.50 0.00 C ATOM 882 CB BALA A 31 -6.910 9.937 7.075 0.50 0.00 C ATOM 0 H AALA A 31 -9.774 10.196 5.148 0.50 0.00 H new ATOM 0 H BALA A 31 -8.870 10.444 4.862 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.109 10.451 6.344 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.092 11.054 5.444 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.746 8.346 7.480 0.50 0.00 H new ATOM 0 HB1BALA A 31 -5.974 9.428 7.305 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.953 9.629 7.740 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.008 10.819 7.708 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.276 8.328 6.570 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.745 9.262 7.262 0.50 0.00 H new ATOM 893 N ASER A 32 -5.897 8.571 5.169 0.50 0.00 N ATOM 894 N BSER A 32 -5.441 8.885 4.369 0.50 0.00 N ATOM 895 CA ASER A 32 -5.113 7.717 4.284 0.50 0.00 C ATOM 896 CA BSER A 32 -5.101 7.759 3.508 0.50 0.00 C ATOM 897 C ASER A 32 -4.451 6.586 5.068 0.50 0.00 C ATOM 898 C BSER A 32 -4.588 6.581 4.331 0.50 0.00 C ATOM 899 O ASER A 32 -3.771 6.826 6.065 0.50 0.00 O ATOM 900 O BSER A 32 -4.289 6.723 5.515 0.50 0.00 O ATOM 901 CB ASER A 32 -4.049 8.538 3.554 0.50 0.00 C ATOM 902 CB BSER A 32 -4.046 8.176 2.481 0.50 0.00 C ATOM 903 OG ASER A 32 -2.838 7.812 3.435 0.50 0.00 O ATOM 904 OG BSER A 32 -3.388 9.366 2.880 0.50 0.00 O ATOM 0 H ASER A 32 -5.396 8.892 5.998 0.50 0.00 H new ATOM 0 H BSER A 32 -4.640 9.436 4.677 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.789 7.281 3.549 0.50 0.00 H new ATOM 0 HA BSER A 32 -6.005 7.448 2.984 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.412 8.811 2.563 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.316 7.376 2.360 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.868 9.467 4.094 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.518 8.326 1.510 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.174 8.358 2.964 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.718 9.610 2.208 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.657 5.357 4.608 0.50 0.00 N ATOM 916 N BGLN A 33 -4.490 5.421 3.691 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.081 4.190 5.267 0.50 0.00 C ATOM 918 CA BGLN A 33 -4.013 4.216 4.364 0.50 0.00 C ATOM 919 C AGLN A 33 -3.334 3.314 4.267 0.50 0.00 C ATOM 920 C BGLN A 33 -3.713 3.112 3.356 0.50 0.00 C ATOM 921 O AGLN A 33 -3.220 3.657 3.089 0.50 0.00 O ATOM 922 O BGLN A 33 -4.529 2.815 2.483 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.176 3.376 5.958 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.050 3.730 5.378 0.50 0.00 C ATOM 925 CG AGLN A 33 -4.816 2.947 7.372 0.50 0.00 C ATOM 926 CG BGLN A 33 -4.612 2.497 6.150 0.50 0.00 C ATOM 927 CD AGLN A 33 -5.993 3.026 8.323 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.515 2.197 7.331 0.50 0.00 C ATOM 929 OE1AGLN A 33 -5.873 3.537 9.437 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.309 2.712 8.431 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.140 2.519 7.888 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.524 1.362 7.109 0.50 0.00 N ATOM 0 H AGLN A 33 -5.217 5.143 3.783 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.734 5.288 2.709 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.371 4.541 6.016 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.090 4.463 4.888 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.092 3.967 5.989 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -5.262 4.534 6.083 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.389 2.489 5.361 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -5.981 3.510 4.856 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -4.438 1.925 7.352 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -4.600 1.638 5.479 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -4.009 3.578 7.745 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -3.591 2.639 6.505 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.194 2.105 6.957 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.657 0.958 6.182 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -7.967 2.543 8.484 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.165 1.125 7.866 0.50 0.00 H new ATOM 949 N APHE A 34 -2.829 2.181 4.742 0.50 0.00 N ATOM 950 N BPHE A 34 -2.537 2.508 3.482 0.50 0.00 N ATOM 951 CA APHE A 34 -2.091 1.256 3.889 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.127 1.438 2.580 0.50 0.00 C ATOM 953 C APHE A 34 -2.587 -0.174 4.081 0.50 0.00 C ATOM 954 C BPHE A 34 -2.955 0.178 2.819 0.50 0.00 C ATOM 955 O APHE A 34 -1.822 -1.129 3.963 0.50 0.00 O ATOM 956 O BPHE A 34 -3.288 -0.545 1.881 0.50 0.00 O ATOM 957 CB APHE A 34 -0.593 1.332 4.192 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.641 1.126 2.765 0.50 0.00 C ATOM 959 CG APHE A 34 0.204 1.998 3.108 0.50 0.00 C ATOM 960 CG BPHE A 34 0.251 2.319 2.569 0.50 0.00 C ATOM 961 CD1APHE A 34 1.263 1.338 2.504 0.50 0.00 C ATOM 962 CD1BPHE A 34 1.003 2.818 3.620 0.50 0.00 C ATOM 963 CD2APHE A 34 -0.105 3.284 2.691 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.335 2.941 1.334 0.50 0.00 C ATOM 965 CE1APHE A 34 1.999 1.948 1.506 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.823 3.916 3.444 0.50 0.00 C ATOM 967 CE2APHE A 34 0.628 3.898 1.693 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.156 4.039 1.151 0.50 0.00 C ATOM 969 CZ APHE A 34 1.682 3.230 1.099 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.901 4.527 2.208 0.50 0.00 C ATOM 0 H APHE A 34 -2.917 1.881 5.713 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.851 2.741 4.200 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.260 1.545 2.852 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.296 1.775 1.557 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.446 1.875 5.126 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.484 0.726 3.767 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.210 0.323 4.346 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.351 0.346 2.061 0.50 0.00 H new ATOM 0 HD1APHE A 34 1.516 0.336 2.817 0.50 0.00 H new ATOM 0 HD1BPHE A 34 0.948 2.343 4.588 0.50 0.00 H new ATOM 0 HD2APHE A 34 -0.927 3.812 3.151 0.50 0.00 H new ATOM 0 HD2BPHE A 34 -0.247 2.565 0.505 0.50 0.00 H new ATOM 0 HE1APHE A 34 2.822 1.423 1.044 0.50 0.00 H new ATOM 0 HE1BPHE A 34 2.402 4.296 4.272 0.50 0.00 H new ATOM 0 HE2APHE A 34 0.377 4.900 1.377 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.215 4.515 0.183 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.256 3.708 0.319 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.543 5.384 2.068 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.877 -0.312 4.379 0.50 0.00 N ATOM 990 N BGLU A 35 -3.284 -0.075 4.082 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.474 -1.625 4.589 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.072 -1.246 4.446 0.50 0.00 C ATOM 993 C AGLU A 35 -5.952 -1.617 4.205 0.50 0.00 C ATOM 994 C BGLU A 35 -5.562 -0.977 4.264 0.50 0.00 C ATOM 995 O AGLU A 35 -6.550 -0.558 4.021 0.50 0.00 O ATOM 996 O BGLU A 35 -6.033 0.143 4.471 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.317 -2.053 6.050 0.50 0.00 C ATOM 998 CB BGLU A 35 -3.788 -1.651 5.894 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.010 -2.769 6.337 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.314 -1.607 6.259 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.883 -1.813 6.673 0.50 0.00 C ATOM 1002 CD BGLU A 35 -1.894 -0.266 6.831 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -0.715 -2.145 6.378 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -2.175 -0.015 8.021 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -2.167 -0.732 7.230 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -1.287 0.532 6.086 0.50 0.00 O ATOM 0 H AGLU A 35 -4.526 0.468 4.480 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.017 0.515 4.870 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.954 -2.340 3.951 0.50 0.00 H new ATOM 0 HA BGLU A 35 -3.785 -2.064 3.786 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.386 -1.171 6.687 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.339 -0.990 6.562 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.146 -2.707 6.319 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.165 -2.660 6.061 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.154 -3.461 7.167 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.100 -2.391 6.986 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.729 -3.366 5.469 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -1.717 -1.823 5.373 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.531 -2.807 4.085 0.50 0.00 N ATOM 1020 N BARG A 36 -6.303 -2.011 3.877 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.938 -2.938 3.722 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.739 -1.886 3.666 0.50 0.00 C ATOM 1023 C AARG A 36 -8.829 -2.211 4.724 0.50 0.00 C ATOM 1024 C BARG A 36 -8.483 -1.832 4.998 0.50 0.00 C ATOM 1025 O AARG A 36 -8.955 -2.606 5.882 0.50 0.00 O ATOM 1026 O BARG A 36 -8.470 -2.782 5.782 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.332 -4.414 3.650 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.258 -3.057 2.828 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.688 -4.652 3.004 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.640 -2.821 2.240 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.732 -4.106 1.585 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.259 -4.116 1.737 0.50 0.00 C ATOM 1033 NE AARG A 36 -10.302 -5.068 0.647 0.50 0.00 N ATOM 1034 NE BARG A 36 -11.701 -4.157 1.966 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.580 -5.431 0.652 0.50 0.00 C ATOM 1036 CZ BARG A 36 -12.507 -5.056 1.413 0.50 0.00 C ATOM 1037 NH1AARG A 36 -12.416 -4.914 1.542 0.50 0.00 N ATOM 1038 NH1BARG A 36 -12.015 -5.984 0.603 0.50 0.00 N ATOM 1039 NH2AARG A 36 -12.024 -6.312 -0.236 0.50 0.00 N ATOM 1040 NH2BARG A 36 -13.809 -5.029 1.671 0.50 0.00 N ATOM 0 H AARG A 36 -6.049 -3.693 4.233 0.50 0.00 H new ATOM 0 H BARG A 36 -5.931 -2.945 3.703 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.078 -2.483 2.742 0.50 0.00 H new ATOM 0 HA BARG A 36 -7.921 -0.955 3.129 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.571 -4.957 3.089 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.556 -3.252 2.017 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.342 -4.828 4.658 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.285 -3.953 3.448 0.50 0.00 H new ATOM 0 HG2AARG A 36 -9.904 -5.720 2.991 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.287 -2.376 2.996 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.466 -4.177 3.602 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.571 -2.107 1.420 0.50 0.00 H new ATOM 0 HD2AARG A 36 -10.321 -3.189 1.567 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.058 -4.224 0.671 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.723 -3.843 1.266 0.50 0.00 H new ATOM 0 HD3BARG A 36 -9.788 -4.962 2.238 0.50 0.00 H new ATOM 0 HE AARG A 36 -9.685 -5.484 -0.051 0.50 0.00 H new ATOM 0 HE BARG A 36 -12.111 -3.457 2.584 0.50 0.00 H new ATOM 0 HH11AARG A 36 -12.078 -4.236 2.225 0.50 0.00 H new ATOM 0 HH11BARG A 36 -11.015 -6.009 0.403 0.50 0.00 H new ATOM 0 HH12AARG A 36 -13.397 -5.194 1.544 0.50 0.00 H new ATOM 0 HH12BARG A 36 -12.637 -6.673 0.180 0.50 0.00 H new ATOM 0 HH21AARG A 36 -11.384 -6.711 -0.923 0.50 0.00 H new ATOM 0 HH21BARG A 36 -14.191 -4.317 2.294 0.50 0.00 H new ATOM 0 HH22AARG A 36 -13.005 -6.590 -0.232 0.50 0.00 H new ATOM 0 HH22BARG A 36 -14.428 -5.720 1.246 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.462 -1.119 4.269 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.145 -0.696 5.261 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.353 -0.312 5.109 0.50 0.00 C ATOM 1070 CA BPRO A 37 -9.905 -0.491 6.497 0.50 0.00 C ATOM 1071 C APRO A 37 -11.648 -1.042 5.448 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.163 -1.352 6.555 0.50 0.00 C ATOM 1073 O APRO A 37 -12.427 -1.390 4.560 0.50 0.00 O ATOM 1074 O BPRO A 37 -11.729 -1.709 5.521 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.642 0.916 4.243 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.275 0.994 6.443 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.449 0.445 2.843 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.271 1.333 4.993 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.358 -0.588 2.900 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.203 0.476 4.372 0.50 0.00 C ATOM 0 HA APRO A 37 -9.901 -0.074 6.072 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.330 -0.770 7.380 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.656 1.282 4.401 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.253 1.175 6.889 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.966 1.737 4.481 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.556 1.601 6.993 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.370 0.019 2.444 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.243 1.133 4.543 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.171 1.271 2.188 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.060 2.391 4.840 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.505 -1.369 2.154 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.458 0.193 3.351 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.378 -0.148 2.713 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.246 0.995 4.329 0.50 0.00 H new ATOM 1095 N ASER A 38 -11.872 -1.271 6.739 0.50 0.00 N ATOM 1096 N BSER A 38 -11.592 -1.683 7.768 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.072 -1.964 7.194 0.50 0.00 C ATOM 1098 CA BSER A 38 -12.781 -2.506 7.959 0.50 0.00 C ATOM 1099 C ASER A 38 -13.958 -1.031 8.014 0.50 0.00 C ATOM 1100 C BSER A 38 -14.042 -1.738 7.574 0.50 0.00 C ATOM 1101 O ASER A 38 -13.470 -0.124 8.688 0.50 0.00 O ATOM 1102 O BSER A 38 -14.692 -2.049 6.577 0.50 0.00 O ATOM 1103 CB ASER A 38 -12.694 -3.189 8.028 0.50 0.00 C ATOM 1104 CB BSER A 38 -12.878 -2.969 9.414 0.50 0.00 C ATOM 1105 OG ASER A 38 -11.320 -3.503 7.881 0.50 0.00 O ATOM 1106 OG BSER A 38 -12.901 -1.864 10.301 0.50 0.00 O ATOM 0 H ASER A 38 -11.239 -0.987 7.487 0.50 0.00 H new ATOM 0 H BSER A 38 -11.135 -1.394 8.633 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.629 -2.290 6.316 0.50 0.00 H new ATOM 0 HA BSER A 38 -12.696 -3.379 7.311 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.917 -3.000 9.078 0.50 0.00 H new ATOM 0 HB2BSER A 38 -13.779 -3.567 9.549 0.50 0.00 H new ATOM 0 HB3ASER A 38 -13.300 -4.042 7.722 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.031 -3.612 9.651 0.50 0.00 H new ATOM 0 HG ASER A 38 -11.104 -4.289 8.425 0.50 0.00 H new ATOM 0 HG BSER A 38 -12.965 -2.187 11.224 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.266 -1.261 7.951 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.379 -0.729 8.372 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.202 -0.434 8.691 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.561 0.070 8.100 0.50 0.00 C ATOM 1121 C AGLY A 39 -17.636 -0.896 8.532 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.448 0.228 9.318 0.50 0.00 C ATOM 1123 O AGLY A 39 -18.486 -0.500 9.330 0.50 0.00 O ATOM 1124 O BGLY A 39 -15.957 0.320 10.444 0.50 0.00 O ATOM 0 H AGLY A 39 -15.694 -2.005 7.401 0.50 0.00 H new ATOM 0 H BGLY A 39 -13.855 -0.450 9.202 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -15.935 -0.445 9.748 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.256 1.055 7.746 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.117 0.598 8.352 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.132 -0.394 7.296 0.50 0.00 H new TER 1131 GLY A 39