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= -0.485 K(o=-2.1,f=-4.5!) USER MOD Set 1.2: A 29 THR OG1A: rot 180:sc= -0.786 USER MOD Set 1.3: A 29 THR OG1B: rot -166:sc= -0.785 USER MOD Set 2.1: A 13 LYS NZ A:NH3+ -146:sc= -0.702 (180deg=-2.36!) USER MOD Set 2.2: A 24 TYR OH A: rot 180:sc= 0 USER MOD Set 2.3: A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 47:sc= 0.577 USER MOD Single : A 18 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.0697 K(o=-0.07,f=-0.74) USER MOD Single : A 19 SER OG A: rot -11:sc= 0.761 USER MOD Single : A 19 SER OG B: rot -130:sc= 0.0557 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 26 ASN B: amide:sc= -2.33 K(o=-2.3,f=-17!) USER MOD Single : A 27 HIS A: no HD1:sc= -1.98 K(o=-2,f=-3.2) USER MOD Single : A 27 HIS B: no HD1:sc= 0.392 K(o=0.39,f=-2!) USER MOD Single : A 30 ASN A: amide:sc= -0.254 X(o=-0.25,f=-0.11) USER MOD Single : A 30 ASN B: amide:sc= -0.365 X(o=-0.36,f=-0.68) USER MOD Single : A 32 SER OG A: rot 180:sc= 0 USER MOD Single : A 32 SER OG B: rot 180:sc= 0.0221 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN B: amide:sc= -0.863 K(o=-0.86,f=-3.4!) USER MOD Single : A 38 SER OG A: rot 180:sc= 0 USER MOD Single : A 38 SER OG B: rot 111:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -12.801 -4.690 -4.633 0.50 0.00 N ATOM 24 N BLYS A 6 -12.598 -3.384 -4.493 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.261 -4.950 -3.274 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.366 -4.011 -3.425 0.50 0.00 C ATOM 27 C ALYS A 6 -12.755 -3.880 -2.313 0.50 0.00 C ATOM 28 C BLYS A 6 -13.267 -3.203 -2.135 0.50 0.00 C ATOM 29 O ALYS A 6 -11.560 -3.802 -2.027 0.50 0.00 O ATOM 30 O BLYS A 6 -12.756 -3.688 -1.124 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.788 -6.331 -2.810 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.873 -5.438 -3.183 0.50 0.00 C ATOM 33 CG ALYS A 6 -13.079 -7.440 -3.806 0.50 0.00 C ATOM 34 CG BLYS A 6 -12.930 -6.319 -4.421 0.50 0.00 C ATOM 35 CD ALYS A 6 -12.562 -8.782 -3.313 0.50 0.00 C ATOM 36 CD BLYS A 6 -12.412 -7.718 -4.132 0.50 0.00 C ATOM 37 CE ALYS A 6 -13.274 -9.938 -3.996 0.50 0.00 C ATOM 38 CE BLYS A 6 -13.488 -8.769 -4.368 0.50 0.00 C ATOM 39 NZ ALYS A 6 -12.718 -11.255 -3.580 0.50 0.00 N ATOM 40 NZ BLYS A 6 -13.329 -9.437 -5.689 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.351 -4.926 -3.275 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.411 -4.042 -3.735 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -11.715 -6.294 -2.623 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -11.846 -5.402 -2.820 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -13.269 -6.571 -1.861 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.474 -5.893 -2.396 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -14.154 -7.504 -3.977 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -13.957 -6.377 -4.781 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.617 -7.201 -4.764 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -12.338 -5.868 -5.218 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -11.490 -8.851 -3.500 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -11.551 -7.927 -4.767 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -12.702 -8.853 -2.234 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -12.067 -7.774 -3.100 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -14.337 -9.901 -3.758 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -13.446 -9.516 -3.576 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -13.185 -9.831 -5.077 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -14.471 -8.301 -4.313 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -13.230 -12.018 -4.068 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -14.080 -10.146 -5.812 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -11.709 -11.300 -3.830 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -13.394 -8.728 -6.447 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -12.826 -11.368 -2.552 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -12.401 -9.905 -5.732 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.674 -3.055 -1.819 0.50 0.00 N ATOM 68 N BLEU A 7 -13.759 -1.970 -2.176 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.319 -1.988 -0.889 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.727 -1.095 -1.009 0.50 0.00 C ATOM 71 C ALEU A 7 -14.570 -1.292 -0.360 0.50 0.00 C ATOM 72 C BLEU A 7 -15.136 -0.676 -0.602 0.50 0.00 C ATOM 73 O ALEU A 7 -15.625 -1.293 -0.992 0.50 0.00 O ATOM 74 O BLEU A 7 -16.080 -0.736 -1.392 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.406 -0.970 -1.572 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.878 0.145 -1.299 0.50 0.00 C ATOM 77 CG ALEU A 7 -13.071 -0.052 -2.597 0.50 0.00 C ATOM 78 CG BLEU A 7 -11.374 -0.003 -1.075 0.50 0.00 C ATOM 79 CD1ALEU A 7 -13.006 1.397 -2.138 0.50 0.00 C ATOM 80 CD1BLEU A 7 -10.866 -1.293 -1.700 0.50 0.00 C ATOM 81 CD2ALEU A 7 -12.416 -0.211 -3.962 0.50 0.00 C ATOM 82 CD2BLEU A 7 -10.629 1.196 -1.641 0.50 0.00 C ATOM 0 H ALEU A 7 -14.667 -3.105 -2.046 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.185 -1.553 -3.004 0.50 0.00 H new ATOM 0 HA ALEU A 7 -12.788 -2.434 -0.048 0.50 0.00 H new ATOM 0 HA BLEU A 7 -13.280 -1.649 -0.184 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -11.948 -0.349 -0.802 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -13.043 0.439 -2.335 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -11.600 -1.511 -2.068 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -13.239 0.962 -0.674 0.50 0.00 H new ATOM 0 HG ALEU A 7 -14.119 -0.337 -2.684 0.50 0.00 H new ATOM 0 HG BLEU A 7 -11.189 -0.046 -0.002 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -13.484 2.036 -2.881 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -9.793 -1.381 -1.531 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -13.523 1.500 -1.184 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -11.376 -2.143 -1.246 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.964 1.695 -2.020 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.064 -1.281 -2.772 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -12.903 0.450 -4.679 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -9.559 1.073 -1.472 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -11.359 0.046 -3.891 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -10.821 1.272 -2.711 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -12.516 -1.244 -4.296 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -10.972 2.104 -1.146 0.50 0.00 H new ATOM 105 N APRO A 8 -14.448 -0.677 0.827 0.50 0.00 N ATOM 106 N BPRO A 8 -15.285 -0.242 0.657 0.50 0.00 N ATOM 107 CA APRO A 8 -15.557 0.036 1.465 0.50 0.00 C ATOM 108 CA BPRO A 8 -16.575 0.198 1.197 0.50 0.00 C ATOM 109 C APRO A 8 -15.920 1.322 0.728 0.50 0.00 C ATOM 110 C BPRO A 8 -17.042 1.514 0.583 0.50 0.00 C ATOM 111 O APRO A 8 -15.118 1.886 -0.016 0.50 0.00 O ATOM 112 O BPRO A 8 -16.320 2.167 -0.169 0.50 0.00 O ATOM 113 CB APRO A 8 -15.016 0.355 2.862 0.50 0.00 C ATOM 114 CB BPRO A 8 -16.294 0.375 2.692 0.50 0.00 C ATOM 115 CG APRO A 8 -13.536 0.381 2.697 0.50 0.00 C ATOM 116 CG BPRO A 8 -14.831 0.642 2.772 0.50 0.00 C ATOM 117 CD APRO A 8 -13.218 -0.635 1.637 0.50 0.00 C ATOM 118 CD BPRO A 8 -14.203 -0.143 1.653 0.50 0.00 C ATOM 0 HA APRO A 8 -16.472 -0.556 1.472 0.50 0.00 H new ATOM 0 HA BPRO A 8 -17.371 -0.515 0.981 0.50 0.00 H new ATOM 0 HB2APRO A 8 -15.391 1.313 3.223 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -16.871 1.201 3.108 0.50 0.00 H new ATOM 0 HB3APRO A 8 -15.321 -0.400 3.587 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -16.565 -0.518 3.254 0.50 0.00 H new ATOM 0 HG2APRO A 8 -13.194 1.373 2.401 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -14.623 1.707 2.666 0.50 0.00 H new ATOM 0 HG3APRO A 8 -13.035 0.137 3.634 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -14.430 0.333 3.738 0.50 0.00 H new ATOM 0 HD2APRO A 8 -12.354 -0.338 1.042 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -13.328 0.365 1.247 0.50 0.00 H new ATOM 0 HD3APRO A 8 -12.988 -1.609 2.069 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.873 -1.127 1.988 0.50 0.00 H new ATOM 133 N APRO A 9 -17.157 1.795 0.940 0.50 0.00 N ATOM 134 N BPRO A 9 -18.280 1.914 0.912 0.50 0.00 N ATOM 135 CA APRO A 9 -17.653 3.020 0.304 0.50 0.00 C ATOM 136 CA BPRO A 9 -18.871 3.156 0.404 0.50 0.00 C ATOM 137 C APRO A 9 -16.973 4.272 0.848 0.50 0.00 C ATOM 138 C BPRO A 9 -18.207 4.396 0.994 0.50 0.00 C ATOM 139 O APRO A 9 -16.607 4.332 2.023 0.50 0.00 O ATOM 140 O BPRO A 9 -18.360 4.690 2.178 0.50 0.00 O ATOM 141 CB APRO A 9 -19.143 3.025 0.657 0.50 0.00 C ATOM 142 CB BPRO A 9 -20.331 3.065 0.854 0.50 0.00 C ATOM 143 CG APRO A 9 -19.237 2.225 1.910 0.50 0.00 C ATOM 144 CG BPRO A 9 -20.303 2.175 2.048 0.50 0.00 C ATOM 145 CD APRO A 9 -18.165 1.175 1.813 0.50 0.00 C ATOM 146 CD BPRO A 9 -19.199 1.185 1.802 0.50 0.00 C ATOM 0 HA APRO A 9 -17.455 3.032 -0.768 0.50 0.00 H new ATOM 0 HA BPRO A 9 -18.750 3.254 -0.675 0.50 0.00 H new ATOM 0 HB2APRO A 9 -19.511 4.040 0.807 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -20.731 4.048 1.102 0.50 0.00 H new ATOM 0 HB3APRO A 9 -19.740 2.583 -0.141 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -20.963 2.653 0.067 0.50 0.00 H new ATOM 0 HG2APRO A 9 -19.088 2.855 2.787 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -20.118 2.747 2.957 0.50 0.00 H new ATOM 0 HG3APRO A 9 -20.222 1.769 2.009 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -21.259 1.668 2.179 0.50 0.00 H new ATOM 0 HD2APRO A 9 -17.753 0.930 2.792 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -18.710 0.890 2.730 0.50 0.00 H new ATOM 0 HD3APRO A 9 -18.549 0.247 1.388 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -19.573 0.274 1.335 0.50 0.00 H new ATOM 161 N AGLY A 10 -16.807 5.272 -0.011 0.50 0.00 N ATOM 162 N BGLY A 10 -17.470 5.123 0.158 0.50 0.00 N ATOM 163 CA AGLY A 10 -16.172 6.510 0.402 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.796 6.322 0.614 0.50 0.00 C ATOM 165 C AGLY A 10 -14.667 6.476 0.227 0.50 0.00 C ATOM 166 C BGLY A 10 -15.316 6.318 0.284 0.50 0.00 C ATOM 167 O AGLY A 10 -14.010 7.516 0.251 0.50 0.00 O ATOM 168 O BGLY A 10 -14.756 7.345 -0.100 0.50 0.00 O ATOM 0 H AGLY A 10 -17.101 5.247 -0.987 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.329 4.901 -0.827 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -16.583 7.337 -0.177 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -17.264 7.194 0.157 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -16.409 6.705 1.448 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.924 6.419 1.692 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.121 5.278 0.052 0.50 0.00 N ATOM 176 N BTRP A 11 -14.681 5.161 0.433 0.50 0.00 N ATOM 177 CA ATRP A 11 -12.683 5.114 -0.126 0.50 0.00 C ATOM 178 CA BTRP A 11 -13.258 5.029 0.148 0.50 0.00 C ATOM 179 C ATRP A 11 -12.333 4.952 -1.601 0.50 0.00 C ATOM 180 C BTRP A 11 -13.009 4.932 -1.353 0.50 0.00 C ATOM 181 O ATRP A 11 -13.099 4.373 -2.369 0.50 0.00 O ATOM 182 O BTRP A 11 -13.887 4.520 -2.110 0.50 0.00 O ATOM 183 CB ATRP A 11 -12.184 3.904 0.665 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.688 3.795 0.854 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.343 4.057 2.148 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.369 4.031 2.297 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.462 3.788 2.885 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.228 3.938 3.353 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.354 4.517 3.073 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.098 4.402 2.846 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.226 4.053 4.213 0.50 0.00 N ATOM 192 NE1BTRP A 11 -12.571 4.228 4.525 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.939 4.502 4.354 0.50 0.00 C ATOM 194 CE2BTRP A 11 -11.261 4.515 4.240 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.028 4.942 2.943 0.50 0.00 C ATOM 196 CE3BTRP A 11 -9.838 4.648 2.293 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -11.244 4.893 5.495 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -10.214 4.865 5.086 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.339 5.329 4.076 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -8.799 4.995 3.134 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.947 5.302 5.339 0.50 0.00 C ATOM 202 CH2BTRP A 11 -8.990 5.098 4.518 0.50 0.00 C ATOM 0 H ATRP A 11 -14.651 4.407 0.030 0.50 0.00 H new ATOM 0 H BTRP A 11 -15.129 4.301 0.750 0.50 0.00 H new ATOM 0 HA ATRP A 11 -12.191 6.011 0.249 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.754 5.920 0.523 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -12.726 3.017 0.338 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -13.405 2.978 0.777 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -11.132 3.737 0.435 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.783 3.475 0.337 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.395 3.421 2.483 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.273 3.675 3.279 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.899 3.935 4.970 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -12.990 4.229 5.455 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -9.551 4.967 1.974 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.680 4.568 1.228 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -11.711 4.874 6.468 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -10.361 4.950 6.153 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.314 5.658 3.987 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -7.822 5.190 2.717 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -9.381 5.610 6.206 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -8.156 5.366 5.149 0.50 0.00 H new ATOM 223 N AGLU A 12 -11.169 5.464 -1.988 0.50 0.00 N ATOM 224 N BGLU A 12 -11.808 5.313 -1.775 0.50 0.00 N ATOM 225 CA AGLU A 12 -10.718 5.376 -3.373 0.50 0.00 C ATOM 226 CA BGLU A 12 -11.446 5.269 -3.186 0.50 0.00 C ATOM 227 C AGLU A 12 -9.417 4.584 -3.471 0.50 0.00 C ATOM 228 C BGLU A 12 -10.106 4.564 -3.383 0.50 0.00 C ATOM 229 O AGLU A 12 -8.542 4.694 -2.612 0.50 0.00 O ATOM 230 O BGLU A 12 -9.076 5.007 -2.877 0.50 0.00 O ATOM 231 CB AGLU A 12 -10.522 6.775 -3.959 0.50 0.00 C ATOM 232 CB BGLU A 12 -11.377 6.685 -3.763 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.823 7.507 -4.236 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.170 6.720 -5.268 0.50 0.00 C ATOM 235 CD AGLU A 12 -12.438 7.123 -5.569 0.50 0.00 C ATOM 236 CD BGLU A 12 -10.968 8.127 -5.796 0.50 0.00 C ATOM 237 OE1AGLU A 12 -13.401 7.793 -5.993 0.50 0.00 O ATOM 238 OE1BGLU A 12 -11.387 8.396 -6.941 0.50 0.00 O ATOM 239 OE2AGLU A 12 -11.952 6.153 -6.187 0.50 0.00 O ATOM 240 OE2BGLU A 12 -10.391 8.958 -5.064 0.50 0.00 O ATOM 0 H AGLU A 12 -10.521 5.944 -1.363 0.50 0.00 H new ATOM 0 H BGLU A 12 -11.070 5.655 -1.160 0.50 0.00 H new ATOM 0 HA AGLU A 12 -11.485 4.855 -3.946 0.50 0.00 H new ATOM 0 HA BGLU A 12 -12.216 4.706 -3.714 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -9.921 7.368 -3.269 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -12.299 7.213 -3.519 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -9.956 6.695 -4.887 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.563 7.226 -3.280 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -12.533 7.292 -3.437 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -10.304 6.111 -5.526 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -11.641 8.582 -4.220 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -12.033 6.271 -5.760 0.50 0.00 H new ATOM 253 N ALYS A 13 -9.296 3.785 -4.525 0.50 0.00 N ATOM 254 N BLYS A 13 -10.131 3.459 -4.124 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.104 2.973 -4.740 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.921 2.690 -4.389 0.50 0.00 C ATOM 257 C ALYS A 13 -7.265 3.533 -5.886 0.50 0.00 C ATOM 258 C BLYS A 13 -8.055 3.382 -5.438 0.50 0.00 C ATOM 259 O ALYS A 13 -7.733 3.629 -7.019 0.50 0.00 O ATOM 260 O BLYS A 13 -8.361 3.349 -6.629 0.50 0.00 O ATOM 261 CB ALYS A 13 -8.494 1.526 -5.039 0.50 0.00 C ATOM 262 CB BLYS A 13 -9.282 1.280 -4.862 0.50 0.00 C ATOM 263 CG ALYS A 13 -7.345 0.543 -4.894 0.50 0.00 C ATOM 264 CG BLYS A 13 -8.085 0.473 -5.335 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.837 -0.832 -4.476 0.50 0.00 C ATOM 266 CD BLYS A 13 -8.271 -1.011 -5.063 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.262 -1.923 -5.365 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.253 -1.848 -5.824 0.50 0.00 C ATOM 269 NZ ALYS A 13 -6.125 -2.630 -4.714 0.50 0.00 N ATOM 270 NZ BLYS A 13 -7.767 -2.269 -7.157 0.50 0.00 N ATOM 0 H ALYS A 13 -10.011 3.682 -5.246 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.975 3.078 -4.550 0.50 0.00 H new ATOM 0 HA ALYS A 13 -7.507 3.000 -3.828 0.50 0.00 H new ATOM 0 HA BLYS A 13 -8.353 2.622 -3.461 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.301 1.230 -4.368 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.771 0.746 -4.047 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -8.886 1.467 -6.054 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -10.005 1.352 -5.674 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -6.809 0.467 -5.840 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -7.936 0.632 -6.403 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -6.636 0.917 -4.155 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -7.185 0.826 -4.832 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -7.557 -1.020 -3.440 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.174 -1.201 -3.994 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -8.926 -0.860 -4.522 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -9.279 -1.311 -5.350 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -8.044 -2.642 -5.609 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.335 -1.275 -5.953 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.927 -1.485 -6.305 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -6.998 -2.731 -5.238 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -5.429 -2.906 -5.436 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -7.045 -2.837 -7.644 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -5.674 -1.998 -4.022 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -8.629 -2.838 -7.033 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -6.477 -3.480 -4.229 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -7.987 -1.427 -7.726 0.50 0.00 H new ATOM 297 N AARG A 14 -6.024 3.897 -5.580 0.50 0.00 N ATOM 298 N BARG A 14 -6.973 4.009 -4.985 0.50 0.00 N ATOM 299 CA AARG A 14 -5.120 4.446 -6.585 0.50 0.00 C ATOM 300 CA BARG A 14 -6.063 4.708 -5.883 0.50 0.00 C ATOM 301 C AARG A 14 -3.747 3.783 -6.500 0.50 0.00 C ATOM 302 C BARG A 14 -4.774 3.916 -6.076 0.50 0.00 C ATOM 303 O AARG A 14 -3.343 3.304 -5.443 0.50 0.00 O ATOM 304 O BARG A 14 -4.487 2.984 -5.326 0.50 0.00 O ATOM 305 CB AARG A 14 -4.980 5.958 -6.402 0.50 0.00 C ATOM 306 CB BARG A 14 -5.743 6.101 -5.337 0.50 0.00 C ATOM 307 CG AARG A 14 -6.271 6.644 -5.989 0.50 0.00 C ATOM 308 CG BARG A 14 -6.976 6.940 -5.044 0.50 0.00 C ATOM 309 CD AARG A 14 -6.468 7.957 -6.730 0.50 0.00 C ATOM 310 CD BARG A 14 -7.214 7.980 -6.128 0.50 0.00 C ATOM 311 NE AARG A 14 -7.847 8.428 -6.654 0.50 0.00 N ATOM 312 NE BARG A 14 -7.610 7.369 -7.394 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.821 7.989 -7.444 0.50 0.00 C ATOM 314 CZ BARG A 14 -8.263 8.019 -8.350 0.50 0.00 C ATOM 315 NH1AARG A 14 -8.565 7.070 -8.366 0.50 0.00 N ATOM 316 NH1BARG A 14 -8.591 9.293 -8.186 0.50 0.00 N ATOM 317 NH2AARG A 14 -10.052 8.465 -7.312 0.50 0.00 N ATOM 318 NH2BARG A 14 -8.587 7.396 -9.476 0.50 0.00 N ATOM 0 H AARG A 14 -5.622 3.822 -4.646 0.50 0.00 H new ATOM 0 H BARG A 14 -6.706 4.047 -4.001 0.50 0.00 H new ATOM 0 HA AARG A 14 -5.543 4.243 -7.569 0.50 0.00 H new ATOM 0 HA BARG A 14 -6.554 4.809 -6.851 0.50 0.00 H new ATOM 0 HB2AARG A 14 -4.217 6.155 -5.649 0.50 0.00 H new ATOM 0 HB2BARG A 14 -5.159 5.998 -4.423 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.628 6.397 -7.335 0.50 0.00 H new ATOM 0 HB3BARG A 14 -5.118 6.629 -6.057 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.115 5.983 -6.188 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.848 6.291 -4.963 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.258 6.830 -4.915 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.859 7.437 -4.081 0.50 0.00 H new ATOM 0 HD2AARG A 14 -5.804 8.713 -6.311 0.50 0.00 H new ATOM 0 HD2BARG A 14 -7.989 8.673 -5.802 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.186 7.829 -7.775 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.306 8.564 -6.276 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.076 9.134 -5.955 0.50 0.00 H new ATOM 0 HE BARG A 14 -7.372 6.390 -7.552 0.50 0.00 H new ATOM 0 HH11AARG A 14 -7.620 6.700 -8.469 0.50 0.00 H new ATOM 0 HH11BARG A 14 -8.342 9.777 -7.323 0.50 0.00 H new ATOM 0 HH12AARG A 14 -9.313 6.733 -8.972 0.50 0.00 H new ATOM 0 HH12BARG A 14 -9.093 9.789 -8.922 0.50 0.00 H new ATOM 0 HH21AARG A 14 -10.253 9.170 -6.603 0.50 0.00 H new ATOM 0 HH21BARG A 14 -8.334 6.417 -9.608 0.50 0.00 H new ATOM 0 HH22AARG A 14 -10.798 8.126 -7.920 0.50 0.00 H new ATOM 0 HH22BARG A 14 -9.089 7.897 -10.210 0.50 0.00 H new ATOM 345 N AMET A 15 -3.039 3.760 -7.624 0.50 0.00 N ATOM 346 N BMET A 15 -4.000 4.295 -7.087 0.50 0.00 N ATOM 347 CA AMET A 15 -1.712 3.156 -7.677 0.50 0.00 C ATOM 348 CA BMET A 15 -2.739 3.620 -7.379 0.50 0.00 C ATOM 349 C AMET A 15 -0.642 4.216 -7.914 0.50 0.00 C ATOM 350 C BMET A 15 -1.626 4.633 -7.631 0.50 0.00 C ATOM 351 O AMET A 15 -0.550 4.786 -9.002 0.50 0.00 O ATOM 352 O BMET A 15 -1.878 5.739 -8.107 0.50 0.00 O ATOM 353 CB AMET A 15 -1.653 2.098 -8.782 0.50 0.00 C ATOM 354 CB BMET A 15 -2.896 2.703 -8.594 0.50 0.00 C ATOM 355 CG AMET A 15 -1.081 0.770 -8.319 0.50 0.00 C ATOM 356 CG BMET A 15 -2.054 1.440 -8.514 0.50 0.00 C ATOM 357 SD AMET A 15 -2.325 -0.536 -8.248 0.50 0.00 S ATOM 358 SD BMET A 15 -0.712 1.423 -9.716 0.50 0.00 S ATOM 359 CE AMET A 15 -2.005 -1.391 -9.789 0.50 0.00 C ATOM 360 CE BMET A 15 -0.889 -0.223 -10.400 0.50 0.00 C ATOM 0 H AMET A 15 -3.361 4.152 -8.509 0.50 0.00 H new ATOM 0 H BMET A 15 -4.223 5.065 -7.718 0.50 0.00 H new ATOM 0 HA AMET A 15 -1.519 2.678 -6.716 0.50 0.00 H new ATOM 0 HA BMET A 15 -2.468 3.018 -6.512 0.50 0.00 H new ATOM 0 HB2AMET A 15 -2.658 1.936 -9.172 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.945 2.425 -8.696 0.50 0.00 H new ATOM 0 HB3AMET A 15 -1.048 2.478 -9.606 0.50 0.00 H new ATOM 0 HB3BMET A 15 -2.624 3.255 -9.493 0.50 0.00 H new ATOM 0 HG2AMET A 15 -0.281 0.468 -8.995 0.50 0.00 H new ATOM 0 HG2BMET A 15 -1.639 1.348 -7.510 0.50 0.00 H new ATOM 0 HG3AMET A 15 -0.635 0.895 -7.333 0.50 0.00 H new ATOM 0 HG3BMET A 15 -2.692 0.572 -8.676 0.50 0.00 H new ATOM 0 HE1AMET A 15 -2.696 -2.228 -9.891 0.50 0.00 H new ATOM 0 HE1BMET A 15 -0.126 -0.385 -11.161 0.50 0.00 H new ATOM 0 HE2AMET A 15 -2.143 -0.702 -10.623 0.50 0.00 H new ATOM 0 HE2BMET A 15 -0.772 -0.961 -9.607 0.50 0.00 H new ATOM 0 HE3AMET A 15 -0.981 -1.764 -9.792 0.50 0.00 H new ATOM 0 HE3BMET A 15 -1.877 -0.326 -10.849 0.50 0.00 H new ATOM 379 N ASER A 16 0.165 4.477 -6.890 0.50 0.00 N ATOM 380 N BSER A 16 -0.396 4.246 -7.308 0.50 0.00 N ATOM 381 CA ASER A 16 1.226 5.473 -6.988 0.50 0.00 C ATOM 382 CA BSER A 16 0.754 5.120 -7.497 0.50 0.00 C ATOM 383 C ASER A 16 2.368 4.966 -7.863 0.50 0.00 C ATOM 384 C BSER A 16 1.457 4.818 -8.816 0.50 0.00 C ATOM 385 O ASER A 16 3.124 4.080 -7.466 0.50 0.00 O ATOM 386 O BSER A 16 1.342 3.717 -9.356 0.50 0.00 O ATOM 387 CB ASER A 16 1.754 5.823 -5.594 0.50 0.00 C ATOM 388 CB BSER A 16 1.736 4.962 -6.335 0.50 0.00 C ATOM 389 OG ASER A 16 1.580 7.201 -5.317 0.50 0.00 O ATOM 390 OG BSER A 16 1.293 5.675 -5.193 0.50 0.00 O ATOM 0 H ASER A 16 0.104 4.013 -5.984 0.50 0.00 H new ATOM 0 H BSER A 16 -0.171 3.332 -6.914 0.50 0.00 H new ATOM 0 HA ASER A 16 0.809 6.369 -7.448 0.50 0.00 H new ATOM 0 HA BSER A 16 0.396 6.149 -7.525 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.232 5.229 -4.844 0.50 0.00 H new ATOM 0 HB2BSER A 16 1.846 3.906 -6.088 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.811 5.565 -5.526 0.50 0.00 H new ATOM 0 HB3BSER A 16 2.720 5.323 -6.634 0.50 0.00 H new ATOM 0 HG ASER A 16 1.923 7.400 -4.421 0.50 0.00 H new ATOM 0 HG BSER A 16 0.343 5.491 -5.041 0.50 0.00 H new ATOM 401 N AARG A 17 2.486 5.535 -9.059 0.50 0.00 N ATOM 402 N BARG A 17 2.187 5.802 -9.331 0.50 0.00 N ATOM 403 CA AARG A 17 3.533 5.142 -9.993 0.50 0.00 C ATOM 404 CA BARG A 17 2.909 5.644 -10.588 0.50 0.00 C ATOM 405 C AARG A 17 4.910 5.253 -9.344 0.50 0.00 C ATOM 406 C BARG A 17 4.402 5.884 -10.391 0.50 0.00 C ATOM 407 O AARG A 17 5.034 5.674 -8.194 0.50 0.00 O ATOM 408 O BARG A 17 5.037 6.580 -11.181 0.50 0.00 O ATOM 409 CB AARG A 17 3.478 6.011 -11.251 0.50 0.00 C ATOM 410 CB BARG A 17 2.360 6.607 -11.641 0.50 0.00 C ATOM 411 CG AARG A 17 4.179 7.351 -11.096 0.50 0.00 C ATOM 412 CG BARG A 17 2.581 8.071 -11.301 0.50 0.00 C ATOM 413 CD AARG A 17 3.477 8.443 -11.889 0.50 0.00 C ATOM 414 CD BARG A 17 2.920 8.886 -12.540 0.50 0.00 C ATOM 415 NE AARG A 17 3.333 8.088 -13.298 0.50 0.00 N ATOM 416 NE BARG A 17 4.121 8.393 -13.207 0.50 0.00 N ATOM 417 CZ AARG A 17 3.133 8.978 -14.264 0.50 0.00 C ATOM 418 CZ BARG A 17 4.465 8.730 -14.445 0.50 0.00 C ATOM 419 NH1AARG A 17 3.051 10.269 -13.973 0.50 0.00 N ATOM 420 NH1BARG A 17 3.703 9.561 -15.147 0.50 0.00 N ATOM 421 NH2AARG A 17 3.012 8.576 -15.522 0.50 0.00 N ATOM 422 NH2BARG A 17 5.575 8.240 -14.984 0.50 0.00 N ATOM 0 H AARG A 17 1.868 6.270 -9.403 0.50 0.00 H new ATOM 0 H BARG A 17 2.294 6.719 -8.896 0.50 0.00 H new ATOM 0 HA AARG A 17 3.364 4.102 -10.272 0.50 0.00 H new ATOM 0 HA BARG A 17 2.766 4.620 -10.934 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.932 5.466 -12.079 0.50 0.00 H new ATOM 0 HB2BARG A 17 2.831 6.390 -12.600 0.50 0.00 H new ATOM 0 HB3AARG A 17 2.435 6.184 -11.517 0.50 0.00 H new ATOM 0 HB3BARG A 17 1.292 6.428 -11.763 0.50 0.00 H new ATOM 0 HG2AARG A 17 4.209 7.627 -10.042 0.50 0.00 H new ATOM 0 HG2BARG A 17 1.684 8.476 -10.832 0.50 0.00 H new ATOM 0 HG3AARG A 17 5.212 7.263 -11.432 0.50 0.00 H new ATOM 0 HG3BARG A 17 3.389 8.159 -10.574 0.50 0.00 H new ATOM 0 HD2AARG A 17 2.493 8.628 -11.459 0.50 0.00 H new ATOM 0 HD2BARG A 17 2.081 8.855 -13.235 0.50 0.00 H new ATOM 0 HD3AARG A 17 4.041 9.372 -11.805 0.50 0.00 H new ATOM 0 HD3BARG A 17 3.064 9.929 -12.260 0.50 0.00 H new ATOM 0 HE AARG A 17 3.389 7.102 -13.555 0.50 0.00 H new ATOM 0 HE BARG A 17 4.730 7.755 -12.694 0.50 0.00 H new ATOM 0 HH11AARG A 17 3.142 10.581 -13.006 0.50 0.00 H new ATOM 0 HH11BARG A 17 2.851 9.942 -14.736 0.50 0.00 H new ATOM 0 HH12AARG A 17 2.897 10.951 -14.716 0.50 0.00 H new ATOM 0 HH12BARG A 17 3.970 9.818 -16.097 0.50 0.00 H new ATOM 0 HH21AARG A 17 3.072 7.583 -15.748 0.50 0.00 H new ATOM 0 HH21BARG A 17 6.165 7.604 -14.447 0.50 0.00 H new ATOM 0 HH22AARG A 17 2.858 9.260 -16.263 0.50 0.00 H new ATOM 0 HH22BARG A 17 5.838 8.500 -15.935 0.50 0.00 H new ATOM 449 N AASN A 18 5.942 4.873 -10.090 0.50 0.00 N ATOM 450 N BASN A 18 4.956 5.305 -9.331 0.50 0.00 N ATOM 451 CA AASN A 18 7.310 4.927 -9.586 0.50 0.00 C ATOM 452 CA BASN A 18 6.375 5.457 -9.030 0.50 0.00 C ATOM 453 C AASN A 18 7.438 4.168 -8.269 0.50 0.00 C ATOM 454 C BASN A 18 6.887 4.277 -8.212 0.50 0.00 C ATOM 455 O AASN A 18 8.310 4.461 -7.453 0.50 0.00 O ATOM 456 O BASN A 18 7.884 3.649 -8.566 0.50 0.00 O ATOM 457 CB AASN A 18 7.745 6.382 -9.393 0.50 0.00 C ATOM 458 CB BASN A 18 6.619 6.762 -8.272 0.50 0.00 C ATOM 459 CG AASN A 18 8.990 6.723 -10.189 0.50 0.00 C ATOM 460 CG BASN A 18 7.733 7.588 -8.884 0.50 0.00 C ATOM 461 OD1AASN A 18 10.039 6.101 -10.019 0.50 0.00 O ATOM 462 OD1BASN A 18 8.660 7.048 -9.489 0.50 0.00 O ATOM 463 ND2AASN A 18 8.880 7.718 -11.062 0.50 0.00 N ATOM 464 ND2BASN A 18 7.648 8.905 -8.731 0.50 0.00 N ATOM 0 H AASN A 18 5.858 4.525 -11.045 0.50 0.00 H new ATOM 0 H BASN A 18 4.444 4.726 -8.666 0.50 0.00 H new ATOM 0 HA AASN A 18 7.960 4.452 -10.321 0.50 0.00 H new ATOM 0 HA BASN A 18 6.920 5.485 -9.973 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.933 7.044 -9.693 0.50 0.00 H new ATOM 0 HB2BASN A 18 5.700 7.349 -8.260 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.932 6.565 -8.335 0.50 0.00 H new ATOM 0 HB3BASN A 18 6.866 6.535 -7.235 0.50 0.00 H new ATOM 0 HD21AASN A 18 9.685 7.994 -11.625 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.369 9.511 -9.122 0.50 0.00 H new ATOM 0 HD22AASN A 18 7.991 8.206 -11.170 0.50 0.00 H new ATOM 0 HD22BASN A 18 6.862 9.310 -8.222 0.50 0.00 H new ATOM 477 N ASER A 19 6.560 3.188 -8.071 0.50 0.00 N ATOM 478 N BSER A 19 6.197 3.980 -7.115 0.50 0.00 N ATOM 479 CA ASER A 19 6.571 2.388 -6.852 0.50 0.00 C ATOM 480 CA BSER A 19 6.584 2.878 -6.243 0.50 0.00 C ATOM 481 C ASER A 19 5.485 1.317 -6.895 0.50 0.00 C ATOM 482 C BSER A 19 5.788 1.618 -6.574 0.50 0.00 C ATOM 483 O ASER A 19 5.666 0.213 -6.386 0.50 0.00 O ATOM 484 O BSER A 19 6.263 0.501 -6.379 0.50 0.00 O ATOM 485 CB ASER A 19 6.374 3.281 -5.628 0.50 0.00 C ATOM 486 CB BSER A 19 6.369 3.259 -4.777 0.50 0.00 C ATOM 487 OG ASER A 19 5.157 4.004 -5.714 0.50 0.00 O ATOM 488 OG BSER A 19 4.991 3.278 -4.451 0.50 0.00 O ATOM 0 H ASER A 19 5.833 2.930 -8.739 0.50 0.00 H new ATOM 0 H BSER A 19 5.367 4.488 -6.809 0.50 0.00 H new ATOM 0 HA ASER A 19 7.541 1.895 -6.780 0.50 0.00 H new ATOM 0 HA BSER A 19 7.642 2.673 -6.406 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.375 2.671 -4.725 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.888 2.548 -4.134 0.50 0.00 H new ATOM 0 HB3ASER A 19 7.209 3.977 -5.543 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.805 4.240 -4.585 0.50 0.00 H new ATOM 0 HG ASER A 19 4.788 3.917 -6.618 0.50 0.00 H new ATOM 0 HG BSER A 19 4.773 4.120 -3.999 0.50 0.00 H new ATOM 499 N AGLY A 20 4.354 1.656 -7.508 0.50 0.00 N ATOM 500 N BGLY A 20 4.572 1.809 -7.075 0.50 0.00 N ATOM 501 CA AGLY A 20 3.253 0.713 -7.607 0.50 0.00 C ATOM 502 CA BGLY A 20 3.727 0.682 -7.426 0.50 0.00 C ATOM 503 C AGLY A 20 2.758 0.257 -6.250 0.50 0.00 C ATOM 504 C BGLY A 20 2.798 0.281 -6.297 0.50 0.00 C ATOM 505 O AGLY A 20 2.618 -0.941 -6.003 0.50 0.00 O ATOM 506 O BGLY A 20 1.726 -0.276 -6.535 0.50 0.00 O ATOM 0 H AGLY A 20 4.180 2.565 -7.937 0.50 0.00 H new ATOM 0 H BGLY A 20 4.156 2.725 -7.244 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.431 1.175 -8.154 0.50 0.00 H new ATOM 0 HA2BGLY A 20 3.136 0.935 -8.306 0.50 0.00 H new ATOM 0 HA3AGLY A 20 3.572 -0.155 -8.184 0.50 0.00 H new ATOM 0 HA3BGLY A 20 4.354 -0.168 -7.696 0.50 0.00 H new ATOM 513 N AARG A 21 2.493 1.213 -5.367 0.50 0.00 N ATOM 514 N BARG A 21 3.209 0.563 -5.065 0.50 0.00 N ATOM 515 CA AARG A 21 2.012 0.902 -4.025 0.50 0.00 C ATOM 516 CA BARG A 21 2.407 0.226 -3.896 0.50 0.00 C ATOM 517 C AARG A 21 0.553 1.315 -3.861 0.50 0.00 C ATOM 518 C BARG A 21 0.988 0.773 -4.032 0.50 0.00 C ATOM 519 O AARG A 21 0.257 2.416 -3.398 0.50 0.00 O ATOM 520 O BARG A 21 0.725 1.640 -4.867 0.50 0.00 O ATOM 521 CB AARG A 21 2.874 1.608 -2.975 0.50 0.00 C ATOM 522 CB BARG A 21 3.058 0.780 -2.627 0.50 0.00 C ATOM 523 CG AARG A 21 3.710 0.656 -2.135 0.50 0.00 C ATOM 524 CG BARG A 21 4.141 -0.121 -2.056 0.50 0.00 C ATOM 525 CD AARG A 21 5.090 1.227 -1.854 0.50 0.00 C ATOM 526 CD BARG A 21 5.229 0.687 -1.367 0.50 0.00 C ATOM 527 NE AARG A 21 5.038 2.350 -0.920 0.50 0.00 N ATOM 528 NE BARG A 21 4.721 1.418 -0.210 0.50 0.00 N ATOM 529 CZ AARG A 21 5.072 3.623 -1.299 0.50 0.00 C ATOM 530 CZ BARG A 21 4.383 2.702 -0.242 0.50 0.00 C ATOM 531 NH1AARG A 21 5.156 3.933 -2.586 0.50 0.00 N ATOM 532 NH1BARG A 21 4.501 3.394 -1.367 0.50 0.00 N ATOM 533 NH2AARG A 21 5.021 4.588 -0.390 0.50 0.00 N ATOM 534 NH2BARG A 21 3.927 3.296 0.853 0.50 0.00 N ATOM 0 H AARG A 21 2.603 2.209 -5.555 0.50 0.00 H new ATOM 0 H BARG A 21 4.093 1.024 -4.851 0.50 0.00 H new ATOM 0 HA AARG A 21 2.085 -0.176 -3.881 0.50 0.00 H new ATOM 0 HA BARG A 21 2.354 -0.860 -3.825 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.536 2.315 -3.476 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.488 1.757 -2.846 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.228 2.188 -2.317 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.288 0.933 -1.871 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.199 0.456 -1.193 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.698 -0.819 -1.345 0.50 0.00 H new ATOM 0 HG3AARG A 21 3.808 -0.298 -2.653 0.50 0.00 H new ATOM 0 HG3BARG A 21 4.580 -0.717 -2.856 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.730 0.445 -1.445 0.50 0.00 H new ATOM 0 HD2BARG A 21 6.030 0.019 -1.050 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.544 1.554 -2.789 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.663 1.390 -2.078 0.50 0.00 H new ATOM 0 HE AARG A 21 4.972 2.145 0.077 0.50 0.00 H new ATOM 0 HE BARG A 21 4.620 0.915 0.672 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.195 3.193 -3.287 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.852 2.940 -2.210 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.182 4.911 -2.874 0.50 0.00 H new ATOM 0 HH12BARG A 21 4.241 4.380 -1.389 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.956 4.353 0.600 0.50 0.00 H new ATOM 0 HH21BARG A 21 3.836 2.767 1.720 0.50 0.00 H new ATOM 0 HH22AARG A 21 5.047 5.565 -0.682 0.50 0.00 H new ATOM 0 HH22BARG A 21 3.668 4.282 0.828 0.50 0.00 H new ATOM 561 N AVAL A 22 -0.356 0.424 -4.244 0.50 0.00 N ATOM 562 N BVAL A 22 0.079 0.261 -3.210 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.784 0.695 -4.140 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.311 0.699 -3.239 0.50 0.00 C ATOM 565 C AVAL A 22 -2.179 1.012 -2.701 0.50 0.00 C ATOM 566 C BVAL A 22 -1.650 1.537 -2.010 0.50 0.00 C ATOM 567 O AVAL A 22 -1.661 0.415 -1.759 0.50 0.00 O ATOM 568 O BVAL A 22 -1.211 1.235 -0.900 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.621 -0.498 -4.639 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.275 -0.500 -3.311 0.50 0.00 C ATOM 571 CG1AVAL A 22 -2.737 -1.561 -3.557 0.50 0.00 C ATOM 572 CG1BVAL A 22 -3.719 -0.025 -3.316 0.50 0.00 C ATOM 573 CG2AVAL A 22 -3.996 -0.032 -5.091 0.50 0.00 C ATOM 574 CG2BVAL A 22 -1.979 -1.347 -4.538 0.50 0.00 C ATOM 0 H AVAL A 22 -0.128 -0.492 -4.629 0.50 0.00 H new ATOM 0 H BVAL A 22 0.280 -0.458 -2.515 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.988 1.561 -4.770 0.50 0.00 H new ATOM 0 HA BVAL A 22 -1.432 1.308 -4.135 0.50 0.00 H new ATOM 0 HB AVAL A 22 -2.114 -0.942 -5.496 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.125 -1.118 -2.426 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -3.332 -2.395 -3.929 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -4.385 -0.886 -3.367 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -1.742 -1.916 -3.288 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -3.921 0.536 -2.403 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -3.220 -1.134 -2.678 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.888 0.616 -4.181 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -4.574 -0.888 -5.440 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -2.669 -2.190 -4.573 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -4.514 0.438 -4.255 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -2.100 -0.741 -5.436 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -3.888 0.688 -5.902 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -0.955 -1.718 -4.486 0.50 0.00 H new ATOM 593 N ATYR A 23 -3.102 1.954 -2.542 0.50 0.00 N ATOM 594 N BTYR A 23 -2.432 2.590 -2.217 0.50 0.00 N ATOM 595 CA ATYR A 23 -3.566 2.352 -1.218 0.50 0.00 C ATOM 596 CA BTYR A 23 -2.828 3.473 -1.127 0.50 0.00 C ATOM 597 C ATYR A 23 -5.024 2.800 -1.266 0.50 0.00 C ATOM 598 C BTYR A 23 -4.304 3.844 -1.234 0.50 0.00 C ATOM 599 O ATYR A 23 -5.628 2.879 -2.334 0.50 0.00 O ATOM 600 O BTYR A 23 -4.799 4.163 -2.315 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.692 3.477 -0.665 0.50 0.00 C ATOM 602 CB BTYR A 23 -1.972 4.740 -1.132 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.718 4.734 -1.505 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.259 5.662 -2.295 0.50 0.00 C ATOM 605 CD1ATYR A 23 -1.943 4.841 -2.653 0.50 0.00 C ATOM 606 CD1BTYR A 23 -1.615 5.493 -3.516 0.50 0.00 C ATOM 607 CD2ATYR A 23 -3.516 5.815 -1.151 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.174 6.699 -2.176 0.50 0.00 C ATOM 609 CE1ATYR A 23 -1.963 5.987 -3.424 0.50 0.00 C ATOM 610 CE1BTYR A 23 -1.875 6.332 -4.582 0.50 0.00 C ATOM 611 CE2ATYR A 23 -3.544 6.964 -1.916 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.440 7.542 -3.238 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.764 7.045 -3.052 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.789 7.355 -4.439 0.50 0.00 C ATOM 615 OH ATYR A 23 -2.789 8.190 -3.815 0.50 0.00 O ATOM 616 OH BTYR A 23 -3.050 8.193 -5.497 0.50 0.00 O ATOM 0 H ATYR A 23 -3.543 2.456 -3.313 0.50 0.00 H new ATOM 0 H BTYR A 23 -2.804 2.853 -3.130 0.50 0.00 H new ATOM 0 HA ATYR A 23 -3.491 1.487 -0.558 0.50 0.00 H new ATOM 0 HA BTYR A 23 -2.673 2.941 -0.189 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -3.022 3.719 0.345 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -2.136 5.282 -0.201 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.664 3.123 -0.588 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -0.920 4.457 -1.155 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -1.314 4.014 -2.948 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -0.900 4.692 -3.633 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -4.125 5.755 -0.261 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -3.687 6.849 -1.237 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -1.354 6.054 -4.314 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.365 6.188 -5.523 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -4.172 7.794 -1.628 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.155 8.344 -3.128 0.50 0.00 H new ATOM 0 HH ATYR A 23 -3.406 8.837 -3.414 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.718 8.858 -5.230 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.583 3.096 -0.096 0.50 0.00 N ATOM 636 N BTYR A 24 -5.001 3.799 -0.105 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.970 3.535 -0.001 0.50 0.00 C ATOM 638 CA BTYR A 24 -6.422 4.128 -0.070 0.50 0.00 C ATOM 639 C ATYR A 24 -7.059 4.928 0.614 0.50 0.00 C ATOM 640 C BTYR A 24 -6.645 5.517 0.522 0.50 0.00 C ATOM 641 O ATYR A 24 -6.569 5.165 1.719 0.50 0.00 O ATOM 642 O BTYR A 24 -5.979 5.911 1.479 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.785 2.545 0.831 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.188 3.085 0.744 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.897 1.174 0.206 0.50 0.00 C ATOM 646 CG BTYR A 24 -6.960 1.666 0.279 0.50 0.00 C ATOM 647 CD1ATYR A 24 -6.961 0.185 0.483 0.50 0.00 C ATOM 648 CD1BTYR A 24 -6.468 0.699 1.148 0.50 0.00 C ATOM 649 CD2ATYR A 24 -8.935 0.868 -0.666 0.50 0.00 C ATOM 650 CD2BTYR A 24 -7.233 1.290 -1.031 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.058 -1.069 -0.089 0.50 0.00 C ATOM 652 CE1BTYR A 24 -6.257 -0.600 0.727 0.50 0.00 C ATOM 653 CE2ATYR A 24 -9.042 -0.384 -1.238 0.50 0.00 C ATOM 654 CE2BTYR A 24 -7.026 -0.007 -1.460 0.50 0.00 C ATOM 655 CZ ATYR A 24 -8.101 -1.350 -0.948 0.50 0.00 C ATOM 656 CZ BTYR A 24 -6.539 -0.949 -0.578 0.50 0.00 C ATOM 657 OH ATYR A 24 -8.201 -2.598 -1.518 0.50 0.00 O ATOM 658 OH BTYR A 24 -6.328 -2.240 -1.003 0.50 0.00 O ATOM 0 H ATYR A 24 -5.096 3.040 0.799 0.50 0.00 H new ATOM 0 H BTYR A 24 -4.606 3.538 0.799 0.50 0.00 H new ATOM 0 HA ATYR A 24 -7.381 3.576 -1.010 0.50 0.00 H new ATOM 0 HA BTYR A 24 -6.795 4.125 -1.094 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.328 2.449 1.816 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -6.895 3.167 1.791 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.786 2.949 0.982 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.254 3.308 0.693 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -6.144 0.400 1.156 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -6.247 0.968 2.170 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -9.671 1.623 -0.900 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -7.613 2.024 -1.726 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -6.321 -1.826 0.135 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -5.873 -1.338 1.416 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -9.858 -0.606 -1.909 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -7.245 -0.282 -2.481 0.50 0.00 H new ATOM 0 HH ATYR A 24 -8.992 -2.631 -2.096 0.50 0.00 H new ATOM 0 HH BTYR A 24 -6.578 -2.319 -1.947 0.50 0.00 H new ATOM 677 N APHE A 25 -7.686 5.850 -0.110 0.50 0.00 N ATOM 678 N BPHE A 25 -7.588 6.254 -0.056 0.50 0.00 N ATOM 679 CA APHE A 25 -7.838 7.220 0.362 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.901 7.599 0.412 0.50 0.00 C ATOM 681 C APHE A 25 -9.313 7.589 0.494 0.50 0.00 C ATOM 682 C BPHE A 25 -9.401 7.869 0.328 0.50 0.00 C ATOM 683 O APHE A 25 -10.094 7.414 -0.441 0.50 0.00 O ATOM 684 O BPHE A 25 -10.031 7.620 -0.699 0.50 0.00 O ATOM 685 CB APHE A 25 -7.142 8.192 -0.592 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.137 8.638 -0.411 0.50 0.00 C ATOM 687 CG APHE A 25 -7.194 9.623 -0.134 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.858 9.950 -0.536 0.50 0.00 C ATOM 689 CD1APHE A 25 -6.582 10.008 1.048 0.50 0.00 C ATOM 690 CD1BPHE A 25 -7.756 10.910 0.458 0.50 0.00 C ATOM 691 CD2APHE A 25 -7.854 10.580 -0.887 0.50 0.00 C ATOM 692 CD2BPHE A 25 -8.638 10.225 -1.649 0.50 0.00 C ATOM 693 CE1APHE A 25 -6.627 11.322 1.471 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.419 12.118 0.346 0.50 0.00 C ATOM 695 CE2APHE A 25 -7.903 11.897 -0.469 0.50 0.00 C ATOM 696 CE2BPHE A 25 -9.301 11.430 -1.767 0.50 0.00 C ATOM 697 CZ APHE A 25 -7.289 12.267 0.712 0.50 0.00 C ATOM 698 CZ BPHE A 25 -9.192 12.379 -0.768 0.50 0.00 C ATOM 0 H APHE A 25 -8.097 5.672 -1.026 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.149 5.942 -0.849 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.373 7.292 1.345 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.594 7.675 1.455 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.100 7.893 -0.706 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.163 8.810 0.048 0.50 0.00 H new ATOM 0 HB3APHE A 25 -7.605 8.117 -1.576 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -6.953 8.237 -1.408 0.50 0.00 H new ATOM 0 HD1APHE A 25 -6.064 9.272 1.645 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -7.151 10.712 1.331 0.50 0.00 H new ATOM 0 HD2APHE A 25 -8.336 10.294 -1.811 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -8.728 9.488 -2.433 0.50 0.00 H new ATOM 0 HE1APHE A 25 -6.145 11.610 2.394 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -8.332 12.857 1.129 0.50 0.00 H new ATOM 0 HE2APHE A 25 -8.420 12.635 -1.064 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -9.905 11.631 -2.640 0.50 0.00 H new ATOM 0 HZ APHE A 25 -7.327 13.295 1.042 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -9.710 13.322 -0.859 0.50 0.00 H new ATOM 717 N AASN A 26 -9.689 8.100 1.662 0.50 0.00 N ATOM 718 N BASN A 26 -9.966 8.379 1.418 0.50 0.00 N ATOM 719 CA AASN A 26 -11.069 8.492 1.917 0.50 0.00 C ATOM 720 CA BASN A 26 -11.391 8.682 1.469 0.50 0.00 C ATOM 721 C AASN A 26 -11.274 9.976 1.638 0.50 0.00 C ATOM 722 C BASN A 26 -11.625 10.139 1.857 0.50 0.00 C ATOM 723 O AASN A 26 -10.602 10.828 2.223 0.50 0.00 O ATOM 724 O BASN A 26 -11.073 10.623 2.847 0.50 0.00 O ATOM 725 CB AASN A 26 -11.452 8.176 3.365 0.50 0.00 C ATOM 726 CB BASN A 26 -12.095 7.757 2.465 0.50 0.00 C ATOM 727 CG AASN A 26 -12.954 8.124 3.568 0.50 0.00 C ATOM 728 CG BASN A 26 -13.593 7.991 2.511 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.726 8.449 2.665 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.116 8.872 1.829 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.376 7.712 4.757 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.289 7.201 3.319 0.50 0.00 N ATOM 0 H AASN A 26 -9.056 8.252 2.447 0.50 0.00 H new ATOM 0 H BASN A 26 -9.459 8.591 2.277 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.712 7.923 1.245 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.807 8.519 0.475 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.016 7.219 3.653 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.900 6.719 2.194 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.025 8.932 4.024 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.675 7.911 3.459 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.376 7.655 4.952 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.300 7.311 3.393 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.701 7.453 5.476 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.813 6.484 3.866 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.204 10.283 0.740 0.50 0.00 N ATOM 746 N BHIS A 27 -12.445 10.831 1.076 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.499 11.666 0.384 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.752 12.232 1.337 0.50 0.00 C ATOM 749 C AHIS A 27 -13.392 12.320 1.433 0.50 0.00 C ATOM 750 C BHIS A 27 -13.621 12.373 2.585 0.50 0.00 C ATOM 751 O AHIS A 27 -13.526 13.544 1.473 0.50 0.00 O ATOM 752 O BHIS A 27 -13.865 13.482 3.060 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.172 11.730 -0.987 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.462 12.855 0.135 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.286 10.743 -1.154 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.625 12.051 -0.357 0.50 0.00 C ATOM 757 ND1AHIS A 27 -15.510 10.877 -0.532 0.50 0.00 N ATOM 758 ND1BHIS A 27 -14.485 10.939 -1.161 0.50 0.00 N ATOM 759 CD2AHIS A 27 -14.357 9.603 -1.879 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.955 12.201 -0.154 0.50 0.00 C ATOM 761 CE1AHIS A 27 -16.284 9.859 -0.866 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.678 10.440 -1.431 0.50 0.00 C ATOM 763 NE2AHIS A 27 -15.609 9.072 -1.683 0.50 0.00 N ATOM 764 NE2BHIS A 27 -16.588 11.188 -0.833 0.50 0.00 N ATOM 0 H AHIS A 27 -12.767 9.592 0.245 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.910 10.444 0.255 0.50 0.00 H new ATOM 0 HA AHIS A 27 -11.557 12.213 0.344 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.813 12.758 1.506 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.562 12.736 -1.145 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.809 13.852 0.405 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -12.423 11.554 -1.759 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.745 12.976 -0.677 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -13.575 9.187 -2.497 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -16.430 12.973 0.433 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -17.297 9.698 -0.528 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -15.876 9.569 -2.038 0.50 0.00 H new ATOM 0 HE2AHIS A 27 -15.960 8.210 -2.101 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -17.596 11.038 -0.869 0.50 0.00 H new ATOM 779 N AILE A 28 -14.001 11.498 2.279 0.50 0.00 N ATOM 780 N BILE A 28 -14.084 11.243 3.107 0.50 0.00 N ATOM 781 CA AILE A 28 -14.882 11.995 3.330 0.50 0.00 C ATOM 782 CA BILE A 28 -14.924 11.242 4.299 0.50 0.00 C ATOM 783 C AILE A 28 -14.090 12.375 4.577 0.50 0.00 C ATOM 784 C BILE A 28 -14.084 11.106 5.564 0.50 0.00 C ATOM 785 O AILE A 28 -14.288 13.448 5.149 0.50 0.00 O ATOM 786 O BILE A 28 -14.404 11.686 6.603 0.50 0.00 O ATOM 787 CB AILE A 28 -15.949 10.954 3.712 0.50 0.00 C ATOM 788 CB BILE A 28 -15.956 10.100 4.258 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.807 10.603 2.494 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.853 10.237 3.025 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.818 11.476 4.847 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.793 10.096 5.529 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.018 9.760 2.832 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.151 9.467 3.132 0.50 0.00 C ATOM 0 H AILE A 28 -13.901 10.483 2.258 0.50 0.00 H new ATOM 0 H BILE A 28 -13.892 10.317 2.724 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.378 12.880 2.932 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.449 12.197 4.315 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.447 10.049 4.054 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.423 9.151 4.193 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.138 11.524 2.015 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.078 11.291 2.865 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.193 10.069 1.769 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.306 9.891 2.148 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.567 10.728 5.105 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.518 9.283 5.485 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.195 11.681 5.718 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.143 9.956 6.392 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.315 12.394 4.532 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.319 11.046 5.621 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.580 9.549 1.922 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.735 9.611 2.223 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.694 8.823 3.284 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.935 8.406 3.261 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.653 10.301 3.534 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.719 9.829 3.989 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.189 11.491 4.991 0.50 0.00 N ATOM 818 N BTHR A 29 -13.004 10.337 5.472 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.367 11.733 6.170 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.117 10.124 6.608 0.50 0.00 C ATOM 821 C ATHR A 29 -10.977 12.224 5.779 0.50 0.00 C ATOM 822 C BTHR A 29 -10.940 11.094 6.574 0.50 0.00 C ATOM 823 O ATHR A 29 -10.129 12.463 6.638 0.50 0.00 O ATOM 824 O BTHR A 29 -10.494 11.580 7.612 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.226 10.461 7.028 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.577 8.682 6.640 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.756 9.375 6.221 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.787 8.429 5.473 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.556 10.088 7.665 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.718 7.679 6.712 0.50 0.00 C ATOM 0 H ATHR A 29 -13.010 10.600 4.527 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.722 9.851 4.621 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.871 12.503 6.754 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.708 10.301 7.507 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.505 10.662 7.821 0.50 0.00 H new ATOM 0 HB BTHR A 29 -10.957 8.569 7.530 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.668 8.571 6.774 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.639 7.465 5.381 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.432 9.187 8.266 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.312 6.667 6.734 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -13.896 10.905 8.302 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.301 7.856 7.616 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.294 9.905 6.885 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.359 7.794 5.838 0.50 0.00 H new ATOM 845 N AASN A 30 -10.753 12.376 4.478 0.50 0.00 N ATOM 846 N BASN A 30 -10.441 11.371 5.374 0.50 0.00 N ATOM 847 CA AASN A 30 -9.465 12.839 3.973 0.50 0.00 C ATOM 848 CA BASN A 30 -9.315 12.282 5.205 0.50 0.00 C ATOM 849 C AASN A 30 -8.320 12.036 4.583 0.50 0.00 C ATOM 850 C BASN A 30 -8.037 11.681 5.780 0.50 0.00 C ATOM 851 O AASN A 30 -7.204 12.533 4.719 0.50 0.00 O ATOM 852 O BASN A 30 -7.251 12.369 6.429 0.50 0.00 O ATOM 853 CB AASN A 30 -9.280 14.327 4.281 0.50 0.00 C ATOM 854 CB BASN A 30 -9.611 13.622 5.883 0.50 0.00 C ATOM 855 CG AASN A 30 -10.600 15.073 4.344 0.50 0.00 C ATOM 856 CG BASN A 30 -11.072 14.016 5.770 0.50 0.00 C ATOM 857 OD1AASN A 30 -10.886 15.765 5.321 0.50 0.00 O ATOM 858 OD1BASN A 30 -11.690 14.430 6.749 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.410 14.931 3.302 0.50 0.00 N ATOM 860 ND2BASN A 30 -11.628 13.888 4.571 0.50 0.00 N ATOM 0 H AASN A 30 -11.446 12.186 3.754 0.50 0.00 H new ATOM 0 H BASN A 30 -10.799 10.977 4.504 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.452 12.693 2.893 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.170 12.446 4.137 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.758 14.436 5.232 0.50 0.00 H new ATOM 0 HB2BASN A 30 -9.334 13.563 6.935 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.647 14.778 3.516 0.50 0.00 H new ATOM 0 HB3BASN A 30 -8.992 14.398 5.433 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.312 15.406 3.289 0.50 0.00 H new ATOM 0 HD21BASN A 30 -12.607 14.138 4.434 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.130 14.347 2.514 0.50 0.00 H new ATOM 0 HD22BASN A 30 -11.076 13.540 3.787 0.50 0.00 H new ATOM 873 N AALA A 31 -8.607 10.791 4.950 0.50 0.00 N ATOM 874 N BALA A 31 -7.833 10.389 5.535 0.50 0.00 N ATOM 875 CA AALA A 31 -7.602 9.919 5.543 0.50 0.00 C ATOM 876 CA BALA A 31 -6.650 9.696 6.027 0.50 0.00 C ATOM 877 C AALA A 31 -7.028 8.959 4.506 0.50 0.00 C ATOM 878 C BALA A 31 -6.391 8.421 5.230 0.50 0.00 C ATOM 879 O AALA A 31 -7.717 8.559 3.568 0.50 0.00 O ATOM 880 O BALA A 31 -7.288 7.596 5.053 0.50 0.00 O ATOM 881 CB AALA A 31 -8.198 9.144 6.710 0.50 0.00 C ATOM 882 CB BALA A 31 -6.802 9.374 7.506 0.50 0.00 C ATOM 0 H AALA A 31 -9.528 10.364 4.847 0.50 0.00 H new ATOM 0 H BALA A 31 -8.473 9.803 4.999 0.50 0.00 H new ATOM 0 HA AALA A 31 -6.788 10.542 5.913 0.50 0.00 H new ATOM 0 HA BALA A 31 -5.792 10.356 5.898 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.436 8.496 7.144 0.50 0.00 H new ATOM 0 HB1BALA A 31 -5.910 8.856 7.859 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.554 9.843 7.467 0.50 0.00 H new ATOM 0 HB2BALA A 31 -6.931 10.299 8.068 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.031 8.537 6.356 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.674 8.736 7.652 0.50 0.00 H new ATOM 893 N ASER A 32 -5.762 8.593 4.683 0.50 0.00 N ATOM 894 N BSER A 32 -5.161 8.267 4.752 0.50 0.00 N ATOM 895 CA ASER A 32 -5.094 7.682 3.760 0.50 0.00 C ATOM 896 CA BSER A 32 -4.787 7.094 3.969 0.50 0.00 C ATOM 897 C ASER A 32 -4.486 6.500 4.509 0.50 0.00 C ATOM 898 C BSER A 32 -4.023 6.091 4.827 0.50 0.00 C ATOM 899 O ASER A 32 -3.984 6.649 5.623 0.50 0.00 O ATOM 900 O BSER A 32 -3.480 6.441 5.876 0.50 0.00 O ATOM 901 CB ASER A 32 -4.005 8.423 2.981 0.50 0.00 C ATOM 902 CB BSER A 32 -3.934 7.508 2.767 0.50 0.00 C ATOM 903 OG ASER A 32 -2.799 8.482 3.722 0.50 0.00 O ATOM 904 OG BSER A 32 -3.069 8.579 3.101 0.50 0.00 O ATOM 0 H ASER A 32 -5.179 8.913 5.456 0.50 0.00 H new ATOM 0 H BSER A 32 -4.406 8.939 4.893 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.837 7.301 3.060 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.701 6.619 3.611 0.50 0.00 H new ATOM 0 HB2ASER A 32 -3.827 7.920 2.030 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.347 6.656 2.423 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.343 9.433 2.749 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.582 7.803 1.942 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.119 8.959 3.202 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.534 8.824 2.317 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.534 5.327 3.888 0.50 0.00 N ATOM 916 N BGLN A 33 -3.984 4.843 4.374 0.50 0.00 N ATOM 917 CA AGLN A 33 -3.988 4.118 4.494 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.286 3.787 5.100 0.50 0.00 C ATOM 919 C AGLN A 33 -3.572 3.113 3.426 0.50 0.00 C ATOM 920 C BGLN A 33 -3.085 2.560 4.216 0.50 0.00 C ATOM 921 O AGLN A 33 -4.065 3.150 2.297 0.50 0.00 O ATOM 922 O BGLN A 33 -3.885 2.287 3.323 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.016 3.485 5.434 0.50 0.00 C ATOM 924 CB BGLN A 33 -4.069 3.401 6.358 0.50 0.00 C ATOM 925 CG AGLN A 33 -4.448 3.110 6.793 0.50 0.00 C ATOM 926 CG BGLN A 33 -5.439 2.811 6.064 0.50 0.00 C ATOM 927 CD AGLN A 33 -5.527 2.885 7.835 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.911 1.866 7.149 0.50 0.00 C ATOM 929 OE1AGLN A 33 -5.491 3.472 8.916 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.106 1.229 7.829 0.50 0.00 O ATOM 931 NE2AGLN A 33 -6.491 2.033 7.514 0.50 0.00 N ATOM 932 NE2BGLN A 33 -7.225 1.767 7.321 0.50 0.00 N ATOM 0 H AGLN A 33 -4.945 5.187 2.965 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.427 4.537 3.508 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.104 4.397 5.068 0.50 0.00 H new ATOM 0 HA BGLN A 33 -2.307 4.167 5.392 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -5.844 4.180 5.575 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -3.487 2.679 6.931 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.426 2.592 4.962 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -4.190 4.284 6.986 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -3.849 2.205 6.695 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -6.162 3.619 5.951 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -3.779 3.900 7.133 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -5.405 2.279 5.113 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -6.480 1.569 6.606 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -7.858 2.312 6.736 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -7.244 1.842 8.175 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.600 1.146 8.038 0.50 0.00 H new ATOM 949 N APHE A 34 -2.662 2.214 3.786 0.50 0.00 N ATOM 950 N BPHE A 34 -2.007 1.824 4.473 0.50 0.00 N ATOM 951 CA APHE A 34 -2.179 1.199 2.859 0.50 0.00 C ATOM 952 CA BPHE A 34 -1.699 0.628 3.701 0.50 0.00 C ATOM 953 C APHE A 34 -3.070 -0.039 2.894 0.50 0.00 C ATOM 954 C BPHE A 34 -2.352 -0.605 4.321 0.50 0.00 C ATOM 955 O APHE A 34 -3.308 -0.674 1.867 0.50 0.00 O ATOM 956 O BPHE A 34 -1.690 -1.613 4.567 0.50 0.00 O ATOM 957 CB APHE A 34 -0.737 0.812 3.198 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.186 0.428 3.614 0.50 0.00 C ATOM 959 CG APHE A 34 0.269 1.858 2.813 0.50 0.00 C ATOM 960 CG BPHE A 34 0.586 1.714 3.545 0.50 0.00 C ATOM 961 CD1APHE A 34 1.003 2.522 3.783 0.50 0.00 C ATOM 962 CD1BPHE A 34 1.368 2.127 4.612 0.50 0.00 C ATOM 963 CD2APHE A 34 0.483 2.178 1.483 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.531 2.511 2.412 0.50 0.00 C ATOM 965 CE1APHE A 34 1.932 3.486 3.433 0.50 0.00 C ATOM 966 CE1BPHE A 34 2.079 3.311 4.552 0.50 0.00 C ATOM 967 CE2APHE A 34 1.409 3.140 1.126 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.241 3.695 2.346 0.50 0.00 C ATOM 969 CZ APHE A 34 2.133 3.795 2.101 0.50 0.00 C ATOM 970 CZ BPHE A 34 2.015 4.096 3.417 0.50 0.00 C ATOM 0 H APHE A 34 -2.244 2.168 4.715 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.334 2.036 5.209 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.209 1.619 1.853 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.100 0.762 2.696 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.662 0.623 4.269 0.50 0.00 H new ATOM 0 HB2BPHE A 34 0.148 -0.141 4.482 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.491 -0.121 2.692 0.50 0.00 H new ATOM 0 HB3BPHE A 34 0.043 -0.172 2.733 0.50 0.00 H new ATOM 0 HD1APHE A 34 0.848 2.284 4.825 0.50 0.00 H new ATOM 0 HD1BPHE A 34 1.423 1.516 5.501 0.50 0.00 H new ATOM 0 HD2APHE A 34 -0.081 1.670 0.715 0.50 0.00 H new ATOM 0 HD2BPHE A 34 -0.073 2.203 1.572 0.50 0.00 H new ATOM 0 HE1APHE A 34 2.498 3.995 4.199 0.50 0.00 H new ATOM 0 HE1BPHE A 34 2.684 3.622 5.391 0.50 0.00 H new ATOM 0 HE2APHE A 34 1.566 3.379 0.084 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.190 4.306 1.457 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.856 4.548 1.824 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.569 5.022 3.367 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.559 -0.375 4.083 0.50 0.00 N ATOM 990 N BGLU A 35 -3.654 -0.513 4.573 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.423 -1.537 4.252 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.394 -1.620 5.168 0.50 0.00 C ATOM 993 C AGLU A 35 -5.875 -1.186 3.941 0.50 0.00 C ATOM 994 C BGLU A 35 -5.854 -1.597 4.724 0.50 0.00 C ATOM 995 O AGLU A 35 -6.208 -0.023 3.709 0.50 0.00 O ATOM 996 O BGLU A 35 -6.493 -0.545 4.704 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.314 -2.078 5.680 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.314 -1.556 6.695 0.50 0.00 C ATOM 999 CG AGLU A 35 -2.887 -2.143 6.198 0.50 0.00 C ATOM 1000 CG BGLU A 35 -3.391 -2.599 7.299 0.50 0.00 C ATOM 1001 CD AGLU A 35 -2.616 -1.127 7.290 0.50 0.00 C ATOM 1002 CD BGLU A 35 -1.937 -2.164 7.298 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -3.305 -1.179 8.330 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -1.658 -1.028 7.735 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -1.717 -0.281 7.105 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -1.080 -2.957 6.859 0.50 0.00 O ATOM 0 H AGLU A 35 -3.372 0.141 4.943 0.50 0.00 H new ATOM 0 H BGLU A 35 -4.217 0.314 4.375 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.095 -2.306 3.553 0.50 0.00 H new ATOM 0 HA BGLU A 35 -3.941 -2.551 4.827 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.905 -1.448 6.345 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -3.972 -0.565 6.991 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -4.751 -3.076 5.716 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -5.314 -1.685 7.109 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.689 -3.144 6.581 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -3.704 -2.806 8.323 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.196 -1.975 5.371 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -3.488 -3.531 6.742 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.735 -2.200 3.936 0.50 0.00 N ATOM 1020 N BARG A 36 -6.376 -2.768 4.368 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.151 -1.999 3.651 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.759 -2.882 3.921 0.50 0.00 C ATOM 1023 C AARG A 36 -8.937 -1.767 4.937 0.50 0.00 C ATOM 1024 C BARG A 36 -8.705 -2.187 4.896 0.50 0.00 C ATOM 1025 O AARG A 36 -9.139 -2.676 5.743 0.50 0.00 O ATOM 1026 O BARG A 36 -8.945 -2.657 6.008 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.719 -3.209 2.904 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.150 -4.355 3.777 0.50 0.00 C ATOM 1029 CG AARG A 36 -10.152 -3.016 2.437 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.515 -4.562 3.142 0.50 0.00 C ATOM 1031 CD AARG A 36 -10.970 -4.286 2.616 0.50 0.00 C ATOM 1032 CD BARG A 36 -9.403 -4.780 1.640 0.50 0.00 C ATOM 1033 NE AARG A 36 -10.712 -5.256 1.556 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.701 -5.054 1.028 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.515 -6.278 1.282 0.50 0.00 C ATOM 1036 CZ BARG A 36 -11.346 -6.208 1.159 0.50 0.00 C ATOM 1037 NH1AARG A 36 -12.625 -6.461 1.987 0.50 0.00 N ATOM 1038 NH1BARG A 36 -10.817 -7.189 1.875 0.50 0.00 N ATOM 1039 NH2AARG A 36 -11.213 -7.119 0.302 0.50 0.00 N ATOM 1040 NH2BARG A 36 -12.523 -6.381 0.571 0.50 0.00 N ATOM 0 H AARG A 36 -6.476 -3.168 4.126 0.50 0.00 H new ATOM 0 H BARG A 36 -5.862 -3.649 4.381 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.248 -1.114 3.022 0.50 0.00 H new ATOM 0 HA BARG A 36 -7.843 -2.393 2.950 0.50 0.00 H new ATOM 0 HB2AARG A 36 -8.089 -3.421 2.040 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.397 -4.865 3.176 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.672 -4.082 3.555 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.142 -4.823 4.762 0.50 0.00 H new ATOM 0 HG2AARG A 36 -10.613 -2.203 2.998 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.004 -5.422 3.600 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.158 -2.723 1.387 0.50 0.00 H new ATOM 0 HG3BARG A 36 -10.145 -3.694 3.339 0.50 0.00 H new ATOM 0 HD2AARG A 36 -10.737 -4.734 3.582 0.50 0.00 H new ATOM 0 HD2BARG A 36 -8.963 -3.896 1.177 0.50 0.00 H new ATOM 0 HD3AARG A 36 -12.031 -4.035 2.628 0.50 0.00 H new ATOM 0 HD3BARG A 36 -8.727 -5.612 1.444 0.50 0.00 H new ATOM 0 HE AARG A 36 -9.868 -5.143 0.994 0.50 0.00 H new ATOM 0 HE BARG A 36 -11.136 -4.319 0.470 0.50 0.00 H new ATOM 0 HH11AARG A 36 -12.863 -5.816 2.741 0.50 0.00 H new ATOM 0 HH11BARG A 36 -9.912 -7.059 2.328 0.50 0.00 H new ATOM 0 HH12AARG A 36 -13.240 -7.246 1.775 0.50 0.00 H new ATOM 0 HH12BARG A 36 -11.315 -8.074 1.974 0.50 0.00 H new ATOM 0 HH21AARG A 36 -10.362 -6.982 -0.244 0.50 0.00 H new ATOM 0 HH21BARG A 36 -12.933 -5.628 0.018 0.50 0.00 H new ATOM 0 HH22AARG A 36 -11.832 -7.903 0.094 0.50 0.00 H new ATOM 0 HH22BARG A 36 -13.018 -7.267 0.672 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.392 -0.520 5.137 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.255 -1.039 4.471 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.163 -0.141 6.322 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.182 -0.255 5.292 0.50 0.00 C ATOM 1071 C APRO A 37 -11.559 -0.755 6.331 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.530 -0.949 5.469 0.50 0.00 C ATOM 1073 O APRO A 37 -12.080 -1.144 5.285 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.260 -1.164 4.502 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.251 1.383 6.214 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.351 1.042 4.494 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.111 1.669 4.759 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.058 0.660 3.086 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.189 0.613 4.217 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.014 -0.420 3.156 0.50 0.00 C ATOM 0 HA APRO A 37 -9.694 -0.492 7.241 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.804 -0.105 6.303 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.201 1.753 6.600 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.361 1.440 4.594 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.462 1.867 6.790 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.667 1.815 4.845 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.079 1.635 4.260 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -10.957 0.301 2.584 0.50 0.00 H new ATOM 0 HG3APRO A 37 -9.702 2.666 4.595 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -9.696 1.516 2.517 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.441 0.347 3.190 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.125 -1.140 2.346 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.152 0.948 4.214 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.006 -0.011 3.082 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.158 -0.840 7.513 0.50 0.00 N ATOM 1096 N BSER A 38 -11.850 -1.296 6.710 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.491 -1.411 7.657 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.108 -1.969 7.015 0.50 0.00 C ATOM 1099 C ASER A 38 -14.497 -0.345 8.078 0.50 0.00 C ATOM 1100 C BSER A 38 -14.289 -1.024 6.825 0.50 0.00 C ATOM 1101 O ASER A 38 -14.121 0.723 8.560 0.50 0.00 O ATOM 1102 O BSER A 38 -15.059 -1.155 5.873 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.476 -2.547 8.682 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.093 -2.503 8.450 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.673 -3.300 8.627 0.50 0.00 O ATOM 1106 OG BSER A 38 -12.852 -1.460 9.379 0.50 0.00 O ATOM 0 H ASER A 38 -11.740 -0.520 8.387 0.50 0.00 H new ATOM 0 H BSER A 38 -11.257 -1.123 7.521 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.794 -1.809 6.689 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.219 -2.806 6.326 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.623 -3.200 8.494 0.50 0.00 H new ATOM 0 HB2BSER A 38 -14.047 -2.981 8.674 0.50 0.00 H new ATOM 0 HB3ASER A 38 -13.347 -2.136 9.683 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.323 -3.268 8.549 0.50 0.00 H new ATOM 0 HG ASER A 38 -14.637 -4.020 9.290 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.664 -1.294 9.903 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.780 -0.643 7.892 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.431 -0.070 7.741 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.822 0.298 8.258 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.520 0.884 7.658 0.50 0.00 C ATOM 1121 C AGLY A 39 -16.592 1.675 7.664 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.237 1.062 8.983 0.50 0.00 C ATOM 1123 O AGLY A 39 -17.296 2.049 6.728 0.50 0.00 O ATOM 1124 O BGLY A 39 -17.466 1.093 9.031 0.50 0.00 O ATOM 0 H AGLY A 39 -16.116 -1.520 7.494 0.50 0.00 H new ATOM 0 H BGLY A 39 -13.810 0.058 8.540 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -17.786 -0.083 7.922 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.131 1.847 7.327 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.871 0.377 9.344 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.234 0.552 6.904 0.50 0.00 H new