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= -0.911 K(o=-2.6,f=-9.7!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -1.03 K(o=-2.6,f=-17!) USER MOD Set 1.3: A 29 THR OG1A: rot -55:sc= 0.0658 USER MOD Set 1.4: A 29 THR OG1B: rot 180:sc= -0.728 USER MOD Set 2.1: A 16 SER OG A: rot 180:sc= 0 USER MOD Set 2.2: A 19 SER OG B: rot 170:sc= -1.21 USER MOD Set 3.1: A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 24 TYR OH A: rot 180:sc= 0 USER MOD Set 3.3: A 24 TYR OH B: rot 180:sc=-0.00711 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 B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 18 ASN B: amide:sc=-0.00837 K(o=-0.0084,f=-2.1!) USER MOD Single : A 19 SER OG A: rot -130:sc= -0.397 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A: no HE2:sc= -0.888 K(o=-0.89,f=-3.9!) USER MOD Single : A 27 HIS B: no HD1:sc= 0.281 K(o=0.28,f=-1.7!) USER MOD Single : A 30 ASN A: amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 30 ASN B: amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= 0 USER MOD Single : A 32 SER OG B: rot 180:sc= 0.053 USER MOD Single : A 33 GLN A: amide:sc=-0.00289 X(o=-0.0029,f=0) USER MOD Single : A 33 GLN B: amide:sc= 0.456 X(o=0.46,f=0) USER MOD Single : A 38 SER OG A: rot 112:sc= 0.145 USER MOD Single : A 38 SER OG B: rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -12.898 -3.265 -4.600 0.50 0.00 N ATOM 24 N BLYS A 6 -12.841 -4.836 -4.425 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.459 -4.039 -3.500 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.334 -5.106 -3.081 0.50 0.00 C ATOM 27 C ALYS A 6 -13.451 -3.233 -2.206 0.50 0.00 C ATOM 28 C BLYS A 6 -12.851 -4.041 -2.100 0.50 0.00 C ATOM 29 O ALYS A 6 -13.000 -3.716 -1.165 0.50 0.00 O ATOM 30 O BLYS A 6 -11.670 -3.992 -1.752 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.669 -5.337 -3.309 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.874 -6.489 -2.614 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.385 -6.072 -4.609 0.50 0.00 C ATOM 34 CG BLYS A 6 -11.383 -6.720 -2.775 0.50 0.00 C ATOM 35 CD ALYS A 6 -11.829 -7.463 -4.352 0.50 0.00 C ATOM 36 CD BLYS A 6 -11.097 -7.955 -3.614 0.50 0.00 C ATOM 37 CE ALYS A 6 -11.402 -8.140 -5.645 0.50 0.00 C ATOM 38 CE BLYS A 6 -10.752 -7.585 -5.049 0.50 0.00 C ATOM 39 NZ ALYS A 6 -9.925 -8.087 -5.838 0.50 0.00 N ATOM 40 NZ BLYS A 6 -9.605 -8.382 -5.566 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.492 -4.281 -3.749 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.423 -5.083 -3.110 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -11.724 -5.108 -2.816 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -13.142 -6.617 -1.565 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -13.225 -5.996 -2.642 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.414 -7.251 -3.176 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -13.302 -6.148 -5.193 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -10.927 -5.848 -3.243 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -11.674 -5.499 -5.204 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -10.923 -6.832 -1.793 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -10.976 -7.396 -3.676 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -10.272 -8.513 -3.172 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -12.584 -8.071 -3.854 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -11.967 -8.612 -3.605 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -11.730 -9.179 -5.636 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -11.622 -7.746 -5.685 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -11.896 -7.657 -6.488 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -10.510 -6.523 -5.102 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -9.674 -8.559 -6.730 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -9.401 -8.101 -6.546 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -9.615 -7.095 -5.872 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -8.767 -8.209 -4.974 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -9.454 -8.570 -5.047 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -9.845 -9.394 -5.539 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.953 -2.005 -2.276 0.50 0.00 N ATOM 68 N BLEU A 7 -13.770 -3.190 -1.658 0.50 0.00 N ATOM 69 CA ALEU A 7 -14.004 -1.132 -1.110 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.438 -2.126 -0.715 0.50 0.00 C ATOM 71 C ALEU A 7 -15.441 -0.723 -0.799 0.50 0.00 C ATOM 72 C BLEU A 7 -14.694 -1.392 -0.259 0.50 0.00 C ATOM 73 O ALEU A 7 -16.323 -0.758 -1.659 0.50 0.00 O ATOM 74 O BLEU A 7 -15.717 -1.377 -0.943 0.50 0.00 O ATOM 75 CB ALEU A 7 -13.146 0.115 -1.341 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.460 -1.139 -1.356 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.660 -0.024 -1.008 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.044 -0.211 -2.422 0.50 0.00 C ATOM 79 CD1ALEU A 7 -11.099 -1.310 -1.597 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.968 1.239 -1.967 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.886 1.183 -1.519 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.316 -0.395 -3.745 0.50 0.00 C ATOM 0 H ALEU A 7 -14.331 -1.592 -3.129 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.751 -3.215 -1.937 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.609 -1.684 -0.257 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.968 -2.579 0.158 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.238 0.407 -2.387 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.026 -0.525 -0.567 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.557 0.930 -0.746 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.644 -1.706 -1.804 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.551 -0.069 0.076 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.093 -0.470 -2.568 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -10.041 -1.392 -1.350 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.388 1.885 -2.738 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.635 -2.164 -1.183 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.534 1.361 -1.044 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.219 -1.297 -2.680 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.927 1.512 -1.793 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.830 1.068 -1.274 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.745 0.273 -4.492 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -11.001 1.258 -2.600 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.259 -0.163 -3.614 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.271 2.088 -1.049 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.422 -1.427 -4.078 0.50 0.00 H new ATOM 105 N APRO A 8 -15.684 -0.324 0.458 0.50 0.00 N ATOM 106 N BPRO A 8 -14.615 -0.765 0.924 0.50 0.00 N ATOM 107 CA APRO A 8 -17.012 0.102 0.910 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.737 -0.014 1.497 0.50 0.00 C ATOM 109 C APRO A 8 -17.432 1.437 0.302 0.50 0.00 C ATOM 110 C BPRO A 8 -16.029 1.269 0.726 0.50 0.00 C ATOM 111 O APRO A 8 -16.651 2.111 -0.370 0.50 0.00 O ATOM 112 O BPRO A 8 -15.178 1.804 0.017 0.50 0.00 O ATOM 113 CB APRO A 8 -16.844 0.236 2.427 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.258 0.312 2.914 0.50 0.00 C ATOM 115 CG APRO A 8 -15.392 0.498 2.624 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.770 0.300 2.823 0.50 0.00 C ATOM 117 CD APRO A 8 -14.682 -0.257 1.535 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.427 -0.739 1.793 0.50 0.00 C ATOM 0 HA APRO A 8 -17.789 -0.603 0.613 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.666 -0.583 1.466 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.451 1.051 2.822 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.627 1.284 3.243 0.50 0.00 H new ATOM 0 HB3APRO A 8 -17.156 -0.673 2.942 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.617 -0.425 3.633 0.50 0.00 H new ATOM 0 HG2APRO A 8 -15.176 1.565 2.563 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.389 1.279 2.532 0.50 0.00 H new ATOM 0 HG3APRO A 8 -15.065 0.162 3.608 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.322 0.057 3.787 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.778 0.259 1.212 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.528 -0.472 1.237 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.380 -1.251 1.866 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.242 -1.711 2.250 0.50 0.00 H new ATOM 133 N APRO A 9 -18.692 1.826 0.541 0.50 0.00 N ATOM 134 N BPRO A 9 -17.265 1.775 0.866 0.50 0.00 N ATOM 135 CA APRO A 9 -19.243 3.082 0.026 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.699 3.002 0.190 0.50 0.00 C ATOM 137 C APRO A 9 -18.633 4.305 0.703 0.50 0.00 C ATOM 138 C BPRO A 9 -17.018 4.244 0.754 0.50 0.00 C ATOM 139 O APRO A 9 -18.813 4.516 1.902 0.50 0.00 O ATOM 140 O BPRO A 9 -16.706 4.310 1.943 0.50 0.00 O ATOM 141 CB APRO A 9 -20.735 2.977 0.355 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.203 3.046 0.467 0.50 0.00 C ATOM 143 CG APRO A 9 -20.801 2.051 1.520 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.381 2.266 1.724 0.50 0.00 C ATOM 145 CD APRO A 9 -19.677 1.071 1.333 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.331 1.190 1.695 0.50 0.00 C ATOM 0 HA APRO A 9 -19.035 3.212 -1.036 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.447 2.995 -0.870 0.50 0.00 H new ATOM 0 HB2APRO A 9 -21.156 3.952 0.600 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.554 4.071 0.585 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.301 2.589 -0.492 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.770 2.607 -0.354 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.692 2.595 2.458 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.262 2.904 2.600 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.763 1.539 1.558 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.381 1.835 1.778 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.262 0.749 2.288 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.975 0.949 2.697 0.50 0.00 H new ATOM 0 HD3APRO A 9 -20.009 0.174 0.811 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.715 0.266 1.263 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.911 5.107 -0.073 0.50 0.00 N ATOM 162 N BGLY A 10 -16.790 5.231 -0.108 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.286 6.299 0.471 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.148 6.459 0.323 0.50 0.00 C ATOM 165 C AGLY A 10 -15.784 6.311 0.262 0.50 0.00 C ATOM 166 C BGLY A 10 -14.644 6.427 0.129 0.50 0.00 C ATOM 167 O AGLY A 10 -15.164 7.375 0.233 0.50 0.00 O ATOM 168 O BGLY A 10 -14.022 7.460 -0.124 0.50 0.00 O ATOM 0 H AGLY A 10 -17.748 4.953 -1.068 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.039 5.202 -1.097 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.722 7.181 0.002 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.565 7.298 -0.234 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.502 6.365 1.537 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.372 6.632 1.376 0.50 0.00 H new ATOM 175 N ATRP A 11 -15.198 5.130 0.116 0.50 0.00 N ATOM 176 N BTRP A 11 -14.061 5.241 0.250 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.759 5.008 -0.091 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.621 5.080 0.088 0.50 0.00 C ATOM 179 C ATRP A 11 -13.429 4.899 -1.575 0.50 0.00 C ATOM 180 C BTRP A 11 -12.260 4.842 -1.375 0.50 0.00 C ATOM 181 O ATRP A 11 -14.272 4.507 -2.380 0.50 0.00 O ATOM 182 O BTRP A 11 -12.923 4.074 -2.068 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.216 3.789 0.656 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.118 3.916 0.945 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.967 4.046 2.112 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.472 4.050 2.395 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.878 3.971 3.126 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.671 3.752 2.976 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.724 4.422 2.714 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.620 4.518 3.445 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.276 4.277 4.322 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.616 4.007 4.325 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.954 4.557 4.097 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.369 4.477 4.639 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.437 4.657 2.220 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.298 4.966 3.496 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.948 4.916 4.988 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.838 4.868 5.864 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.439 5.013 3.107 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.772 5.355 4.713 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.696 5.140 4.479 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.539 5.302 5.886 0.50 0.00 C ATOM 0 H ATRP A 11 -15.697 4.241 0.137 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.562 4.378 0.459 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.284 5.907 0.302 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.139 6.001 0.417 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.923 2.966 0.556 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.535 2.985 0.561 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.286 3.469 0.187 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.035 3.844 0.848 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.919 3.710 3.005 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.536 3.372 2.452 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.739 4.293 5.231 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.381 3.869 4.986 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.227 4.562 1.165 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.697 5.008 2.599 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -11.147 5.015 6.045 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.430 4.831 6.767 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.442 5.197 2.736 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.752 5.706 4.762 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.894 5.419 5.146 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -10.098 5.609 6.823 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.197 5.250 -1.930 0.50 0.00 N ATOM 224 N BGLU A 12 -11.203 5.506 -1.835 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.757 5.191 -3.319 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.758 5.367 -3.216 0.50 0.00 C ATOM 227 C AGLU A 12 -10.382 4.542 -3.427 0.50 0.00 C ATOM 228 C BGLU A 12 -9.439 4.600 -3.287 0.50 0.00 C ATOM 229 O AGLU A 12 -9.399 5.042 -2.880 0.50 0.00 O ATOM 230 O BGLU A 12 -8.555 4.785 -2.450 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.720 6.597 -3.926 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.595 6.742 -3.863 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.251 6.624 -5.371 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.778 7.668 -3.631 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.035 8.033 -5.887 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.008 8.623 -4.787 0.50 0.00 C ATOM 237 OE1AGLU A 12 -11.671 8.397 -6.899 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.998 8.434 -5.522 0.50 0.00 O ATOM 239 OE2AGLU A 12 -10.234 8.773 -5.279 0.50 0.00 O ATOM 240 OE2BGLU A 12 -11.197 9.558 -4.955 0.50 0.00 O ATOM 0 H AGLU A 12 -11.487 5.578 -1.276 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.641 6.144 -1.272 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.471 4.582 -3.874 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.516 4.805 -3.761 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.716 7.035 -3.868 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -9.693 7.213 -3.472 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -11.060 7.225 -3.327 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.449 6.615 -4.936 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.321 6.063 -5.458 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.676 7.071 -3.474 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -11.987 6.120 -5.998 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.612 8.241 -2.719 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.318 3.421 -4.138 0.50 0.00 N ATOM 254 N BLYS A 13 -9.316 3.739 -4.290 0.50 0.00 N ATOM 255 CA ALYS A 13 -9.063 2.702 -4.321 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.106 2.944 -4.474 0.50 0.00 C ATOM 257 C ALYS A 13 -8.198 3.373 -5.384 0.50 0.00 C ATOM 258 C BLYS A 13 -7.285 3.465 -5.649 0.50 0.00 C ATOM 259 O ALYS A 13 -8.581 3.447 -6.551 0.50 0.00 O ATOM 260 O BLYS A 13 -7.739 3.443 -6.793 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.338 1.248 -4.715 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.467 1.474 -4.701 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.083 0.465 -5.065 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.348 0.512 -4.347 0.50 0.00 C ATOM 265 CD ALYS A 13 -8.274 -1.025 -4.833 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.891 -0.808 -3.824 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.072 -1.822 -5.317 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.797 -1.903 -4.873 0.50 0.00 C ATOM 269 NZ ALYS A 13 -6.821 -3.018 -4.467 0.50 0.00 N ATOM 270 NZ BLYS A 13 -8.978 -1.906 -5.780 0.50 0.00 N ATOM 0 H ALYS A 13 -11.121 2.991 -4.597 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.040 3.573 -4.989 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.522 2.721 -3.375 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.505 3.029 -3.569 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.851 0.748 -3.893 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.347 1.229 -4.107 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -10.015 1.234 -5.569 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -8.739 1.333 -5.747 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.822 0.641 -6.108 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.732 0.330 -5.227 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -7.249 0.824 -4.462 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.702 0.965 -3.594 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.432 -1.212 -3.771 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.334 -1.105 -2.935 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -9.170 -1.364 -5.353 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -8.930 -0.681 -3.521 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -7.236 -2.137 -6.348 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.889 -1.766 -5.460 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.189 -1.184 -5.316 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -7.715 -2.872 -4.380 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -5.994 -3.534 -4.830 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -8.875 -2.667 -6.481 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -6.639 -2.716 -3.488 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -9.843 -2.062 -5.224 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -7.654 -3.640 -4.488 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -9.042 -0.991 -6.270 0.50 0.00 H new ATOM 297 N AARG A 14 -7.032 3.859 -4.971 0.50 0.00 N ATOM 298 N BARG A 14 -6.076 3.930 -5.359 0.50 0.00 N ATOM 299 CA AARG A 14 -6.115 4.525 -5.888 0.50 0.00 C ATOM 300 CA BARG A 14 -5.191 4.456 -6.392 0.50 0.00 C ATOM 301 C AARG A 14 -4.810 3.741 -6.015 0.50 0.00 C ATOM 302 C BARG A 14 -3.786 3.879 -6.250 0.50 0.00 C ATOM 303 O AARG A 14 -4.549 2.823 -5.240 0.50 0.00 O ATOM 304 O BARG A 14 -3.330 3.595 -5.143 0.50 0.00 O ATOM 305 CB AARG A 14 -5.823 5.947 -5.407 0.50 0.00 C ATOM 306 CB BARG A 14 -5.136 5.984 -6.318 0.50 0.00 C ATOM 307 CG AARG A 14 -7.071 6.788 -5.200 0.50 0.00 C ATOM 308 CG BARG A 14 -6.465 6.624 -5.952 0.50 0.00 C ATOM 309 CD AARG A 14 -7.272 7.777 -6.338 0.50 0.00 C ATOM 310 CD BARG A 14 -6.733 7.867 -6.785 0.50 0.00 C ATOM 311 NE AARG A 14 -7.592 7.108 -7.595 0.50 0.00 N ATOM 312 NE BARG A 14 -8.139 8.260 -6.745 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.203 7.706 -8.611 0.50 0.00 C ATOM 314 CZ BARG A 14 -9.079 7.710 -7.505 0.50 0.00 C ATOM 315 NH1AARG A 14 -8.558 8.980 -8.519 0.50 0.00 N ATOM 316 NH1BARG A 14 -8.764 6.744 -8.358 0.50 0.00 N ATOM 317 NH2AARG A 14 -8.461 7.030 -9.723 0.50 0.00 N ATOM 318 NH2BARG A 14 -10.337 8.121 -7.411 0.50 0.00 N ATOM 0 H AARG A 14 -6.700 3.804 -4.008 0.50 0.00 H new ATOM 0 H BARG A 14 -5.686 3.954 -4.417 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.589 4.571 -6.868 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.591 4.160 -7.362 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.269 5.898 -4.470 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.387 6.277 -5.583 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.178 6.442 -6.133 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.807 6.374 -7.281 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.942 6.137 -5.125 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.270 5.904 -6.101 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.995 7.328 -4.256 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.464 6.887 -4.894 0.50 0.00 H new ATOM 0 HD2AARG A 14 -8.075 8.467 -6.080 0.50 0.00 H new ATOM 0 HD2BARG A 14 -6.117 8.688 -6.419 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.368 8.373 -6.464 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.438 7.682 -7.818 0.50 0.00 H new ATOM 0 HE AARG A 14 -7.332 6.127 -7.699 0.50 0.00 H new ATOM 0 HE BARG A 14 -8.414 8.998 -6.097 0.50 0.00 H new ATOM 0 HH11AARG A 14 -8.362 9.504 -7.666 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.799 6.423 -8.431 0.50 0.00 H new ATOM 0 HH12AARG A 14 -9.027 9.436 -9.301 0.50 0.00 H new ATOM 0 HH12BARG A 14 -9.487 6.323 -8.941 0.50 0.00 H new ATOM 0 HH21AARG A 14 -8.190 6.050 -9.798 0.50 0.00 H new ATOM 0 HH21BARG A 14 -10.584 8.861 -6.754 0.50 0.00 H new ATOM 0 HH22AARG A 14 -8.930 7.491 -10.503 0.50 0.00 H new ATOM 0 HH22BARG A 14 -11.057 7.697 -7.996 0.50 0.00 H new ATOM 345 N AMET A 15 -4.000 4.110 -7.000 0.50 0.00 N ATOM 346 N BMET A 15 -3.104 3.708 -7.379 0.50 0.00 N ATOM 347 CA AMET A 15 -2.722 3.444 -7.230 0.50 0.00 C ATOM 348 CA BMET A 15 -1.752 3.165 -7.379 0.50 0.00 C ATOM 349 C AMET A 15 -1.606 4.461 -7.435 0.50 0.00 C ATOM 350 C BMET A 15 -0.769 4.159 -7.993 0.50 0.00 C ATOM 351 O AMET A 15 -1.828 5.535 -7.996 0.50 0.00 O ATOM 352 O BMET A 15 -0.909 4.552 -9.150 0.50 0.00 O ATOM 353 CB AMET A 15 -2.818 2.520 -8.445 0.50 0.00 C ATOM 354 CB BMET A 15 -1.710 1.846 -8.154 0.50 0.00 C ATOM 355 CG AMET A 15 -1.935 1.286 -8.340 0.50 0.00 C ATOM 356 CG BMET A 15 -0.647 0.883 -7.651 0.50 0.00 C ATOM 357 SD AMET A 15 -0.547 1.324 -9.490 0.50 0.00 S ATOM 358 SD BMET A 15 -1.157 -0.843 -7.779 0.50 0.00 S ATOM 359 CE AMET A 15 -0.305 -0.426 -9.789 0.50 0.00 C ATOM 360 CE BMET A 15 -0.681 -1.213 -9.466 0.50 0.00 C ATOM 0 H AMET A 15 -4.205 4.867 -7.653 0.50 0.00 H new ATOM 0 H BMET A 15 -3.466 3.938 -8.304 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.486 2.849 -6.347 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.460 2.981 -6.345 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.854 2.206 -8.572 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.686 1.364 -8.090 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.543 3.079 -9.339 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.528 2.058 -9.208 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.556 1.201 -7.322 0.50 0.00 H new ATOM 0 HG2BMET A 15 0.270 1.030 -8.221 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.536 0.397 -8.531 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.416 1.114 -6.611 0.50 0.00 H new ATOM 0 HE1AMET A 15 0.523 -0.565 -10.484 0.50 0.00 H new ATOM 0 HE1BMET A 15 -0.933 -2.248 -9.696 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.078 -0.928 -8.848 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.213 -0.550 -10.148 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.213 -0.851 -10.217 0.50 0.00 H new ATOM 0 HE3BMET A 15 0.393 -1.066 -9.582 0.50 0.00 H new ATOM 379 N ASER A 16 -0.406 4.119 -6.978 0.50 0.00 N ATOM 380 N BSER A 16 0.225 4.558 -7.207 0.50 0.00 N ATOM 381 CA ASER A 16 0.744 5.004 -7.109 0.50 0.00 C ATOM 382 CA BSER A 16 1.231 5.509 -7.671 0.50 0.00 C ATOM 383 C ASER A 16 1.755 4.440 -8.101 0.50 0.00 C ATOM 384 C BSER A 16 1.884 5.021 -8.961 0.50 0.00 C ATOM 385 O ASER A 16 2.267 3.335 -7.920 0.50 0.00 O ATOM 386 O BSER A 16 1.612 3.916 -9.430 0.50 0.00 O ATOM 387 CB ASER A 16 1.411 5.214 -5.747 0.50 0.00 C ATOM 388 CB BSER A 16 2.297 5.723 -6.595 0.50 0.00 C ATOM 389 OG ASER A 16 2.767 5.595 -5.898 0.50 0.00 O ATOM 390 OG BSER A 16 2.397 7.091 -6.242 0.50 0.00 O ATOM 0 H ASER A 16 -0.205 3.234 -6.513 0.50 0.00 H new ATOM 0 H BSER A 16 0.356 4.239 -6.247 0.50 0.00 H new ATOM 0 HA ASER A 16 0.390 5.964 -7.485 0.50 0.00 H new ATOM 0 HA BSER A 16 0.734 6.458 -7.872 0.50 0.00 H new ATOM 0 HB2ASER A 16 0.874 5.982 -5.190 0.50 0.00 H new ATOM 0 HB2BSER A 16 2.050 5.133 -5.712 0.50 0.00 H new ATOM 0 HB3ASER A 16 1.351 4.295 -5.163 0.50 0.00 H new ATOM 0 HB3BSER A 16 3.261 5.366 -6.958 0.50 0.00 H new ATOM 0 HG ASER A 16 3.171 5.724 -5.014 0.50 0.00 H new ATOM 0 HG BSER A 16 3.084 7.201 -5.552 0.50 0.00 H new ATOM 401 N AARG A 17 2.037 5.205 -9.150 0.50 0.00 N ATOM 402 N BARG A 17 2.749 5.854 -9.530 0.50 0.00 N ATOM 403 CA AARG A 17 2.986 4.782 -10.172 0.50 0.00 C ATOM 404 CA BARG A 17 3.442 5.511 -10.766 0.50 0.00 C ATOM 405 C AARG A 17 4.398 4.697 -9.603 0.50 0.00 C ATOM 406 C BARG A 17 4.681 4.667 -10.478 0.50 0.00 C ATOM 407 O AARG A 17 4.613 4.926 -8.413 0.50 0.00 O ATOM 408 O BARG A 17 4.676 3.452 -10.675 0.50 0.00 O ATOM 409 CB AARG A 17 2.959 5.752 -11.356 0.50 0.00 C ATOM 410 CB BARG A 17 3.841 6.779 -11.523 0.50 0.00 C ATOM 411 CG AARG A 17 3.437 7.152 -11.008 0.50 0.00 C ATOM 412 CG BARG A 17 4.628 6.508 -12.795 0.50 0.00 C ATOM 413 CD AARG A 17 4.308 7.734 -12.107 0.50 0.00 C ATOM 414 CD BARG A 17 5.345 7.757 -13.283 0.50 0.00 C ATOM 415 NE AARG A 17 3.741 7.504 -13.435 0.50 0.00 N ATOM 416 NE BARG A 17 4.467 8.925 -13.287 0.50 0.00 N ATOM 417 CZ AARG A 17 4.391 7.754 -14.566 0.50 0.00 C ATOM 418 CZ BARG A 17 3.560 9.157 -14.229 0.50 0.00 C ATOM 419 NH1AARG A 17 5.626 8.238 -14.532 0.50 0.00 N ATOM 420 NH1BARG A 17 3.412 8.309 -15.236 0.50 0.00 N ATOM 421 NH2AARG A 17 3.807 7.517 -15.734 0.50 0.00 N ATOM 422 NH2BARG A 17 2.799 10.243 -14.165 0.50 0.00 N ATOM 0 H AARG A 17 1.621 6.122 -9.314 0.50 0.00 H new ATOM 0 H BARG A 17 2.987 6.772 -9.154 0.50 0.00 H new ATOM 0 HA AARG A 17 2.692 3.790 -10.516 0.50 0.00 H new ATOM 0 HA BARG A 17 2.760 4.927 -11.384 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.583 5.353 -12.156 0.50 0.00 H new ATOM 0 HB2BARG A 17 2.941 7.339 -11.775 0.50 0.00 H new ATOM 0 HB3AARG A 17 1.942 5.810 -11.744 0.50 0.00 H new ATOM 0 HB3BARG A 17 4.437 7.412 -10.865 0.50 0.00 H new ATOM 0 HG2AARG A 17 2.577 7.800 -10.843 0.50 0.00 H new ATOM 0 HG2BARG A 17 5.356 5.717 -12.612 0.50 0.00 H new ATOM 0 HG3AARG A 17 3.999 7.124 -10.074 0.50 0.00 H new ATOM 0 HG3BARG A 17 3.954 6.147 -13.572 0.50 0.00 H new ATOM 0 HD2AARG A 17 4.429 8.805 -11.945 0.50 0.00 H new ATOM 0 HD2BARG A 17 6.207 7.953 -12.645 0.50 0.00 H new ATOM 0 HD3AARG A 17 5.302 7.290 -12.055 0.50 0.00 H new ATOM 0 HD3BARG A 17 5.726 7.586 -14.290 0.50 0.00 H new ATOM 0 HE AARG A 17 2.794 7.131 -13.496 0.50 0.00 H new ATOM 0 HE BARG A 17 4.555 9.598 -12.526 0.50 0.00 H new ATOM 0 HH11AARG A 17 6.078 8.419 -13.636 0.50 0.00 H new ATOM 0 HH11BARG A 17 3.996 7.474 -15.290 0.50 0.00 H new ATOM 0 HH12AARG A 17 6.123 8.429 -15.402 0.50 0.00 H new ATOM 0 HH12BARG A 17 2.714 8.491 -15.957 0.50 0.00 H new ATOM 0 HH21AARG A 17 2.859 7.143 -15.763 0.50 0.00 H new ATOM 0 HH21BARG A 17 2.911 10.899 -13.392 0.50 0.00 H new ATOM 0 HH22AARG A 17 4.307 7.709 -16.602 0.50 0.00 H new ATOM 0 HH22BARG A 17 2.102 10.421 -14.889 0.50 0.00 H new ATOM 449 N AASN A 18 5.359 4.365 -10.459 0.50 0.00 N ATOM 450 N BASN A 18 5.740 5.320 -10.010 0.50 0.00 N ATOM 451 CA AASN A 18 6.750 4.248 -10.039 0.50 0.00 C ATOM 452 CA BASN A 18 6.986 4.630 -9.698 0.50 0.00 C ATOM 453 C AASN A 18 6.955 3.010 -9.171 0.50 0.00 C ATOM 454 C BASN A 18 7.006 4.181 -8.239 0.50 0.00 C ATOM 455 O AASN A 18 7.558 2.027 -9.604 0.50 0.00 O ATOM 456 O BASN A 18 7.765 4.709 -7.427 0.50 0.00 O ATOM 457 CB AASN A 18 7.181 5.499 -9.273 0.50 0.00 C ATOM 458 CB BASN A 18 8.182 5.542 -9.978 0.50 0.00 C ATOM 459 CG AASN A 18 8.350 6.206 -9.927 0.50 0.00 C ATOM 460 CG BASN A 18 7.982 6.944 -9.434 0.50 0.00 C ATOM 461 OD1AASN A 18 8.182 6.944 -10.897 0.50 0.00 O ATOM 462 OD1BASN A 18 7.245 7.744 -10.007 0.50 0.00 O ATOM 463 ND2AASN A 18 9.549 5.981 -9.401 0.50 0.00 N ATOM 464 ND2BASN A 18 8.640 7.245 -8.320 0.50 0.00 N ATOM 0 H AASN A 18 5.200 4.172 -11.448 0.50 0.00 H new ATOM 0 H BASN A 18 5.760 6.325 -9.839 0.50 0.00 H new ATOM 0 HA AASN A 18 7.365 4.148 -10.933 0.50 0.00 H new ATOM 0 HA BASN A 18 7.054 3.747 -10.334 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.338 6.186 -9.203 0.50 0.00 H new ATOM 0 HB2BASN A 18 9.078 5.108 -9.534 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.452 5.222 -8.254 0.50 0.00 H new ATOM 0 HB3BASN A 18 8.352 5.594 -11.053 0.50 0.00 H new ATOM 0 HD21AASN A 18 10.374 6.428 -9.802 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.544 8.172 -7.906 0.50 0.00 H new ATOM 0 HD22AASN A 18 9.645 5.362 -8.596 0.50 0.00 H new ATOM 0 HD22BASN A 18 9.241 6.549 -7.879 0.50 0.00 H new ATOM 477 N ASER A 19 6.448 3.064 -7.944 0.50 0.00 N ATOM 478 N BSER A 19 6.169 3.201 -7.917 0.50 0.00 N ATOM 479 CA ASER A 19 6.578 1.949 -7.013 0.50 0.00 C ATOM 480 CA BSER A 19 6.088 2.680 -6.557 0.50 0.00 C ATOM 481 C ASER A 19 5.373 1.019 -7.109 0.50 0.00 C ATOM 482 C BSER A 19 5.106 1.515 -6.478 0.50 0.00 C ATOM 483 O ASER A 19 5.336 -0.034 -6.473 0.50 0.00 O ATOM 484 O BSER A 19 5.314 0.564 -5.729 0.50 0.00 O ATOM 485 CB ASER A 19 6.724 2.469 -5.580 0.50 0.00 C ATOM 486 CB BSER A 19 5.662 3.787 -5.591 0.50 0.00 C ATOM 487 OG ASER A 19 5.672 3.358 -5.251 0.50 0.00 O ATOM 488 OG BSER A 19 4.253 3.913 -5.548 0.50 0.00 O ATOM 0 H ASER A 19 5.943 3.868 -7.571 0.50 0.00 H new ATOM 0 H BSER A 19 5.537 2.751 -8.579 0.50 0.00 H new ATOM 0 HA ASER A 19 7.472 1.385 -7.280 0.50 0.00 H new ATOM 0 HA BSER A 19 7.076 2.318 -6.273 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.727 1.630 -4.884 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.041 3.568 -4.593 0.50 0.00 H new ATOM 0 HB3ASER A 19 7.682 2.977 -5.470 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.105 4.734 -5.900 0.50 0.00 H new ATOM 0 HG ASER A 19 6.045 4.179 -4.868 0.50 0.00 H new ATOM 0 HG BSER A 19 4.000 4.509 -4.812 0.50 0.00 H new ATOM 499 N AGLY A 20 4.389 1.416 -7.909 0.50 0.00 N ATOM 500 N BGLY A 20 4.032 1.600 -7.259 0.50 0.00 N ATOM 501 CA AGLY A 20 3.195 0.607 -8.074 0.50 0.00 C ATOM 502 CA BGLY A 20 3.033 0.547 -7.263 0.50 0.00 C ATOM 503 C AGLY A 20 2.571 0.216 -6.749 0.50 0.00 C ATOM 504 C BGLY A 20 2.504 0.245 -5.875 0.50 0.00 C ATOM 505 O AGLY A 20 1.912 -0.820 -6.647 0.50 0.00 O ATOM 506 O BGLY A 20 2.140 -0.892 -5.577 0.50 0.00 O ATOM 0 H AGLY A 20 4.397 2.283 -8.446 0.50 0.00 H new ATOM 0 H BGLY A 20 3.837 2.379 -7.888 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.465 1.159 -8.667 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.205 0.839 -7.909 0.50 0.00 H new ATOM 0 HA3AGLY A 20 3.445 -0.294 -8.634 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.466 -0.358 -7.689 0.50 0.00 H new ATOM 513 N AARG A 21 2.779 1.046 -5.732 0.50 0.00 N ATOM 514 N BARG A 21 2.465 1.264 -5.024 0.50 0.00 N ATOM 515 CA AARG A 21 2.235 0.779 -4.406 0.50 0.00 C ATOM 516 CA BARG A 21 1.979 1.101 -3.659 0.50 0.00 C ATOM 517 C AARG A 21 0.755 1.146 -4.343 0.50 0.00 C ATOM 518 C BARG A 21 0.520 1.531 -3.544 0.50 0.00 C ATOM 519 O AARG A 21 0.299 2.055 -5.036 0.50 0.00 O ATOM 520 O BARG A 21 0.223 2.667 -3.177 0.50 0.00 O ATOM 521 CB AARG A 21 3.011 1.563 -3.345 0.50 0.00 C ATOM 522 CB BARG A 21 2.839 1.914 -2.688 0.50 0.00 C ATOM 523 CG AARG A 21 4.178 0.791 -2.750 0.50 0.00 C ATOM 524 CG BARG A 21 3.701 1.058 -1.777 0.50 0.00 C ATOM 525 CD AARG A 21 5.315 1.720 -2.351 0.50 0.00 C ATOM 526 CD BARG A 21 5.181 1.362 -1.962 0.50 0.00 C ATOM 527 NE AARG A 21 4.944 2.590 -1.238 0.50 0.00 N ATOM 528 NE BARG A 21 5.588 2.561 -1.235 0.50 0.00 N ATOM 529 CZ AARG A 21 4.529 3.842 -1.391 0.50 0.00 C ATOM 530 CZ BARG A 21 6.642 3.299 -1.565 0.50 0.00 C ATOM 531 NH1AARG A 21 4.429 4.368 -2.603 0.50 0.00 N ATOM 532 NH1BARG A 21 7.391 2.962 -2.605 0.50 0.00 N ATOM 533 NH2AARG A 21 4.211 4.571 -0.329 0.50 0.00 N ATOM 534 NH2BARG A 21 6.949 4.376 -0.855 0.50 0.00 N ATOM 0 H AARG A 21 3.320 1.908 -5.801 0.50 0.00 H new ATOM 0 H BARG A 21 2.764 2.211 -5.255 0.50 0.00 H new ATOM 0 HA AARG A 21 2.337 -0.288 -4.207 0.50 0.00 H new ATOM 0 HA BARG A 21 2.049 0.044 -3.400 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.385 2.486 -3.788 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.482 2.584 -3.259 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.329 1.848 -2.544 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.189 2.540 -2.077 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.839 0.233 -1.877 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.420 1.233 -0.739 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.540 0.061 -3.474 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.516 0.004 -1.984 0.50 0.00 H new ATOM 0 HD2AARG A 21 6.187 1.128 -2.073 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.771 0.512 -1.619 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.603 2.329 -3.208 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.395 1.491 -3.023 0.50 0.00 H new ATOM 0 HE AARG A 21 5.007 2.215 -0.291 0.50 0.00 H new ATOM 0 HE BARG A 21 5.032 2.848 -0.429 0.50 0.00 H new ATOM 0 HH11AARG A 21 4.671 3.811 -3.422 0.50 0.00 H new ATOM 0 HH11BARG A 21 7.159 2.134 -3.154 0.50 0.00 H new ATOM 0 HH12AARG A 21 4.110 5.330 -2.717 0.50 0.00 H new ATOM 0 HH12BARG A 21 8.200 3.530 -2.856 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.285 4.170 0.606 0.50 0.00 H new ATOM 0 HH21BARG A 21 6.375 4.639 -0.054 0.50 0.00 H new ATOM 0 HH22AARG A 21 3.892 5.533 -0.447 0.50 0.00 H new ATOM 0 HH22BARG A 21 7.759 4.941 -1.110 0.50 0.00 H new ATOM 561 N AVAL A 22 0.010 0.431 -3.506 0.50 0.00 N ATOM 562 N BVAL A 22 -0.390 0.614 -3.863 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.419 0.682 -3.350 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.817 0.898 -3.797 0.50 0.00 C ATOM 565 C AVAL A 22 -1.696 1.561 -2.136 0.50 0.00 C ATOM 566 C BVAL A 22 -2.249 1.218 -2.371 0.50 0.00 C ATOM 567 O AVAL A 22 -1.080 1.395 -1.083 0.50 0.00 O ATOM 568 O BVAL A 22 -1.762 0.615 -1.412 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.207 -0.635 -3.206 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.650 -0.288 -4.317 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.687 -0.351 -3.002 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.789 -1.357 -3.243 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.988 -1.521 -4.422 0.50 0.00 C ATOM 574 CG2BVAL A 22 -4.016 0.186 -4.789 0.50 0.00 C ATOM 0 H AVAL A 22 0.371 -0.326 -2.926 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.162 -0.332 -4.170 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.748 1.199 -4.251 0.50 0.00 H new ATOM 0 HA BVAL A 22 -1.995 1.766 -4.432 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.839 -1.165 -2.328 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.130 -0.728 -5.168 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.228 -1.292 -2.902 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.381 -2.187 -3.630 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.822 0.243 -2.098 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.801 -1.718 -2.959 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.073 0.200 -3.859 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.285 -0.933 -2.370 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.551 -2.447 -4.304 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.591 -0.666 -5.153 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.328 -1.001 -5.317 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.546 0.653 -3.959 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.927 -1.752 -4.518 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -3.892 0.911 -5.594 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.622 2.499 -2.292 0.50 0.00 N ATOM 594 N BTYR A 23 -3.162 2.174 -2.234 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.979 3.407 -1.209 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.658 2.577 -0.924 0.50 0.00 C ATOM 597 C ATYR A 23 -4.443 3.824 -1.307 0.50 0.00 C ATOM 598 C BTYR A 23 -5.122 2.999 -1.001 0.50 0.00 C ATOM 599 O ATYR A 23 -4.935 4.160 -2.386 0.50 0.00 O ATOM 600 O BTYR A 23 -5.720 3.015 -2.078 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.082 4.646 -1.238 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.813 3.725 -0.367 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.371 5.577 -2.394 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.814 4.957 -1.243 0.50 0.00 C ATOM 605 CD1ATYR A 23 -1.712 5.431 -3.607 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.583 6.066 -0.914 0.50 0.00 C ATOM 607 CD2ATYR A 23 -3.301 6.601 -2.271 0.50 0.00 C ATOM 608 CD2BTYR A 23 -2.046 5.010 -2.400 0.50 0.00 C ATOM 609 CE1ATYR A 23 -1.971 6.281 -4.667 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.587 7.194 -1.712 0.50 0.00 C ATOM 611 CE2ATYR A 23 -3.568 7.453 -3.325 0.50 0.00 C ATOM 612 CE2BTYR A 23 -2.044 6.135 -3.203 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.900 7.289 -4.521 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.815 7.223 -2.856 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.164 8.136 -5.572 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.817 8.345 -3.653 0.50 0.00 O ATOM 0 H ATYR A 23 -3.139 2.651 -3.158 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.574 2.684 -3.015 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.832 2.881 -0.265 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.581 1.720 -0.255 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.203 5.193 -0.303 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.185 3.992 0.622 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.040 4.329 -1.290 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.787 3.381 -0.239 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -0.985 4.641 -3.725 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -4.188 6.046 -0.020 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -3.824 6.733 -1.336 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.441 4.159 -2.676 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -1.448 6.156 -5.604 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.191 8.048 -1.442 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -4.296 8.243 -3.213 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.441 6.161 -4.098 0.50 0.00 H new ATOM 0 HH ATYR A 23 -3.844 8.789 -5.303 0.50 0.00 H new ATOM 0 HH BTYR A 23 -2.221 8.204 -4.418 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.135 3.803 -0.173 0.50 0.00 N ATOM 636 N BTYR A 24 -5.693 3.341 0.150 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.544 4.177 -0.130 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.088 3.761 0.214 0.50 0.00 C ATOM 639 C ATYR A 24 -6.714 5.604 0.382 0.50 0.00 C ATOM 640 C BTYR A 24 -7.203 5.184 0.750 0.50 0.00 C ATOM 641 O ATYR A 24 -5.924 6.081 1.199 0.50 0.00 O ATOM 642 O BTYR A 24 -6.647 5.511 1.799 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.323 3.209 0.760 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.890 2.803 1.096 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.114 1.754 0.401 0.50 0.00 C ATOM 646 CG BTYR A 24 -8.007 1.407 0.527 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.442 1.277 -0.860 0.50 0.00 C ATOM 648 CD1BTYR A 24 -9.045 1.071 -0.333 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.590 0.859 1.325 0.50 0.00 C ATOM 650 CD2BTYR A 24 -7.079 0.425 0.849 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.254 -0.050 -1.193 0.50 0.00 C ATOM 652 CE1BTYR A 24 -9.155 -0.202 -0.856 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.397 -0.471 1.002 0.50 0.00 C ATOM 654 CE2BTYR A 24 -7.180 -0.851 0.331 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.730 -0.921 -0.260 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.221 -1.162 -0.521 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.540 -2.244 -0.584 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.327 -2.430 -1.039 0.50 0.00 O ATOM 0 H ATYR A 24 -4.743 3.531 0.729 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.212 3.335 1.049 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.938 4.125 -1.145 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.496 3.740 -0.797 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.027 3.365 1.798 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.420 2.747 2.078 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.386 3.442 0.693 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.890 3.211 1.244 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.851 1.955 -1.594 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.779 1.818 -0.597 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.329 1.208 2.313 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -6.264 0.664 1.516 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.516 -0.404 -2.179 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.968 -0.446 -1.524 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -5.988 -1.154 1.732 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.449 -1.602 0.591 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.162 -2.718 0.186 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.590 -2.983 -0.705 0.50 0.00 H new ATOM 677 N APHE A 25 -7.748 6.282 -0.104 0.50 0.00 N ATOM 678 N BPHE A 25 -7.930 6.026 0.025 0.50 0.00 N ATOM 679 CA APHE A 25 -8.023 7.655 0.302 0.50 0.00 C ATOM 680 CA BPHE A 25 -8.120 7.415 0.426 0.50 0.00 C ATOM 681 C APHE A 25 -9.495 7.830 0.667 0.50 0.00 C ATOM 682 C BPHE A 25 -9.598 7.788 0.409 0.50 0.00 C ATOM 683 O APHE A 25 -10.382 7.365 -0.048 0.50 0.00 O ATOM 684 O BPHE A 25 -10.244 7.760 -0.637 0.50 0.00 O ATOM 685 CB APHE A 25 -7.644 8.626 -0.816 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.335 8.349 -0.498 0.50 0.00 C ATOM 687 CG APHE A 25 -7.703 10.068 -0.405 0.50 0.00 C ATOM 688 CG BPHE A 25 -8.003 9.674 -0.720 0.50 0.00 C ATOM 689 CD1APHE A 25 -8.602 10.937 -1.002 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.537 9.998 -1.955 0.50 0.00 C ATOM 691 CD2APHE A 25 -6.859 10.557 0.580 0.50 0.00 C ATOM 692 CD2BPHE A 25 -8.096 10.598 0.309 0.50 0.00 C ATOM 693 CE1APHE A 25 -8.660 12.266 -0.624 0.50 0.00 C ATOM 694 CE1BPHE A 25 -9.153 11.218 -2.162 0.50 0.00 C ATOM 695 CE2APHE A 25 -6.913 11.884 0.962 0.50 0.00 C ATOM 696 CE2BPHE A 25 -8.713 11.818 0.110 0.50 0.00 C ATOM 697 CZ APHE A 25 -7.812 12.741 0.358 0.50 0.00 C ATOM 698 CZ BPHE A 25 -9.240 12.130 -1.129 0.50 0.00 C ATOM 0 H APHE A 25 -8.410 5.902 -0.781 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.398 5.771 -0.845 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.420 7.874 1.183 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.747 7.527 1.444 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.635 8.396 -1.159 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.345 8.517 -0.075 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.312 8.471 -1.663 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.191 7.858 -1.460 0.50 0.00 H new ATOM 0 HD1APHE A 25 -9.266 10.572 -1.772 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -8.472 9.289 -2.767 0.50 0.00 H new ATOM 0 HD2APHE A 25 -6.151 9.893 1.054 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -7.681 10.361 1.278 0.50 0.00 H new ATOM 0 HE1APHE A 25 -9.367 12.932 -1.096 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -9.566 11.458 -3.131 0.50 0.00 H new ATOM 0 HE2APHE A 25 -6.252 12.251 1.733 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -8.783 12.527 0.922 0.50 0.00 H new ATOM 0 HZ APHE A 25 -7.852 13.779 0.652 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -9.719 13.085 -1.289 0.50 0.00 H new ATOM 717 N AASN A 26 -9.744 8.503 1.786 0.50 0.00 N ATOM 718 N BASN A 26 -10.127 8.140 1.577 0.50 0.00 N ATOM 719 CA AASN A 26 -11.107 8.739 2.246 0.50 0.00 C ATOM 720 CA BASN A 26 -11.531 8.520 1.697 0.50 0.00 C ATOM 721 C AASN A 26 -11.496 10.203 2.068 0.50 0.00 C ATOM 722 C BASN A 26 -11.673 10.024 1.909 0.50 0.00 C ATOM 723 O AASN A 26 -10.819 11.102 2.568 0.50 0.00 O ATOM 724 O BASN A 26 -11.270 10.556 2.943 0.50 0.00 O ATOM 725 CB AASN A 26 -11.247 8.339 3.717 0.50 0.00 C ATOM 726 CB BASN A 26 -12.186 7.767 2.856 0.50 0.00 C ATOM 727 CG AASN A 26 -12.663 8.509 4.231 0.50 0.00 C ATOM 728 CG BASN A 26 -13.674 8.045 2.958 0.50 0.00 C ATOM 729 OD1AASN A 26 -12.889 9.132 5.269 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.224 8.832 2.188 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.628 7.955 3.504 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.331 7.399 3.915 0.50 0.00 N ATOM 0 H AASN A 26 -9.021 8.894 2.390 0.50 0.00 H new ATOM 0 H BASN A 26 -9.605 8.170 2.453 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.778 8.127 1.643 0.50 0.00 H new ATOM 0 HA BASN A 26 -12.034 8.254 0.767 0.50 0.00 H new ATOM 0 HB2AASN A 26 -10.942 7.300 3.838 0.50 0.00 H new ATOM 0 HB2BASN A 26 -12.027 6.696 2.726 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.569 8.943 4.321 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.701 8.050 3.790 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.601 8.037 3.800 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.333 7.546 4.034 0.50 0.00 H new ATOM 0 HD22AASN A 26 -13.396 7.447 2.650 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.833 6.756 4.530 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.593 10.435 1.352 0.50 0.00 N ATOM 746 N BHIS A 27 -12.246 10.704 0.921 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.074 11.791 1.108 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.441 12.147 1.000 0.50 0.00 C ATOM 749 C AHIS A 27 -14.055 12.223 2.193 0.50 0.00 C ATOM 750 C BHIS A 27 -13.430 12.503 2.104 0.50 0.00 C ATOM 751 O AHIS A 27 -14.718 13.253 2.068 0.50 0.00 O ATOM 752 O BHIS A 27 -13.545 13.663 2.500 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.741 11.877 -0.263 0.50 0.00 C ATOM 754 CB BHIS A 27 -12.939 12.689 -0.341 0.50 0.00 C ATOM 755 CG AHIS A 27 -13.292 10.814 -1.218 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.054 11.883 -0.935 0.50 0.00 C ATOM 757 ND1AHIS A 27 -12.058 10.827 -1.832 0.50 0.00 N ATOM 758 ND1BHIS A 27 -13.842 10.755 -1.698 0.50 0.00 N ATOM 759 CD2AHIS A 27 -13.920 9.699 -1.660 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.395 12.049 -0.874 0.50 0.00 C ATOM 761 CE1AHIS A 27 -11.946 9.767 -2.613 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.006 10.260 -2.081 0.50 0.00 C ATOM 763 NE2AHIS A 27 -13.061 9.066 -2.526 0.50 0.00 N ATOM 764 NE2BHIS A 27 -15.965 11.028 -1.594 0.50 0.00 N ATOM 0 H AHIS A 27 -13.165 9.702 0.931 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.583 10.279 0.057 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.217 12.464 1.130 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.481 12.606 1.236 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -14.821 11.807 -0.137 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.276 13.717 -0.206 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.534 12.855 -0.698 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.107 12.717 -1.044 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -11.343 11.543 -1.704 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.911 9.369 -1.384 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -15.920 12.838 -0.356 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -11.088 9.517 -3.219 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -15.149 9.378 -2.688 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -16.966 10.886 -1.731 0.50 0.00 H new ATOM 779 N AILE A 28 -14.141 11.430 3.257 0.50 0.00 N ATOM 780 N BILE A 28 -14.143 11.497 2.599 0.50 0.00 N ATOM 781 CA AILE A 28 -15.040 11.733 4.364 0.50 0.00 C ATOM 782 CA BILE A 28 -15.123 11.703 3.661 0.50 0.00 C ATOM 783 C AILE A 28 -14.277 12.319 5.546 0.50 0.00 C ATOM 784 C BILE A 28 -14.441 11.854 5.015 0.50 0.00 C ATOM 785 O AILE A 28 -14.762 13.225 6.224 0.50 0.00 O ATOM 786 O BILE A 28 -14.756 12.762 5.784 0.50 0.00 O ATOM 787 CB AILE A 28 -15.801 10.476 4.828 0.50 0.00 C ATOM 788 CB BILE A 28 -16.129 10.540 3.732 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.688 9.945 3.700 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.878 10.402 2.404 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.633 10.789 6.062 0.50 0.00 C ATOM 792 CG2BILE A 28 -17.106 10.754 4.877 0.50 0.00 C ATOM 793 CD1AILE A 28 -17.629 8.846 4.140 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.170 9.623 2.516 0.50 0.00 C ATOM 0 H AILE A 28 -13.599 10.574 3.375 0.50 0.00 H new ATOM 0 H BILE A 28 -14.061 10.531 2.282 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.757 12.468 3.999 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.659 12.622 3.422 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.077 9.704 5.088 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.581 9.616 3.916 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.271 10.769 3.288 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.096 11.396 2.014 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.055 9.570 2.896 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.229 9.911 1.679 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.165 9.892 6.379 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.811 9.923 4.914 0.50 0.00 H new ATOM 0 HG22AILE A 28 -15.979 11.126 6.866 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.558 10.807 5.818 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.352 11.574 5.827 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.651 11.685 4.721 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.227 8.517 3.290 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.646 9.566 1.537 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.052 8.005 4.525 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.958 8.616 2.876 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.287 9.222 4.923 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.838 10.125 3.216 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.080 11.795 5.790 0.50 0.00 N ATOM 818 N BTHR A 29 -13.503 10.959 5.304 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.250 12.268 6.892 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.773 10.992 6.566 0.50 0.00 C ATOM 821 C ATHR A 29 -10.792 12.395 6.466 0.50 0.00 C ATOM 822 C BTHR A 29 -11.495 11.811 6.441 0.50 0.00 C ATOM 823 O ATHR A 29 -9.889 12.383 7.300 0.50 0.00 O ATOM 824 O BTHR A 29 -10.977 12.326 7.432 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.337 11.322 8.105 0.50 0.00 C ATOM 826 CB BTHR A 29 -12.418 9.572 7.045 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.591 10.128 7.850 0.50 0.00 O ATOM 828 OG1BTHR A 29 -12.106 8.739 5.924 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.785 10.967 8.414 0.50 0.00 C ATOM 830 CG2BTHR A 29 -13.567 8.963 7.834 0.50 0.00 C ATOM 0 H ATHR A 29 -12.664 11.044 5.240 0.50 0.00 H new ATOM 0 H BTHR A 29 -13.230 10.200 4.680 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.630 13.249 7.176 0.50 0.00 H new ATOM 0 HA BTHR A 29 -13.429 11.461 7.300 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.914 11.836 8.969 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.548 9.641 7.698 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.910 9.714 7.021 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -11.880 7.839 6.238 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.820 10.298 9.274 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -13.292 7.960 8.161 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.343 11.876 8.638 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.780 9.583 8.705 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.230 10.472 7.551 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -14.453 8.908 7.202 0.50 0.00 H new ATOM 845 N AASN A 30 -10.571 12.521 5.161 0.50 0.00 N ATOM 846 N BASN A 30 -10.990 11.929 5.217 0.50 0.00 N ATOM 847 CA AASN A 30 -9.222 12.654 4.624 0.50 0.00 C ATOM 848 CA BASN A 30 -9.769 12.686 4.964 0.50 0.00 C ATOM 849 C AASN A 30 -8.277 11.648 5.275 0.50 0.00 C ATOM 850 C BASN A 30 -8.557 11.982 5.565 0.50 0.00 C ATOM 851 O AASN A 30 -7.080 11.901 5.406 0.50 0.00 O ATOM 852 O BASN A 30 -7.642 12.628 6.078 0.50 0.00 O ATOM 853 CB AASN A 30 -8.701 14.075 4.841 0.50 0.00 C ATOM 854 CB BASN A 30 -9.891 14.097 5.541 0.50 0.00 C ATOM 855 CG AASN A 30 -9.809 15.110 4.800 0.50 0.00 C ATOM 856 CG BASN A 30 -9.207 15.137 4.675 0.50 0.00 C ATOM 857 OD1AASN A 30 -9.922 15.949 5.691 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.759 16.206 4.413 0.50 0.00 O ATOM 859 ND2AASN A 30 -10.632 15.052 3.760 0.50 0.00 N ATOM 860 ND2BASN A 30 -7.995 14.827 4.226 0.50 0.00 N ATOM 0 H AASN A 30 -11.309 12.534 4.457 0.50 0.00 H new ATOM 0 H BASN A 30 -11.407 11.511 4.386 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.262 12.450 3.554 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.630 12.752 3.885 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.192 14.129 5.803 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.945 14.353 5.647 0.50 0.00 H new ATOM 0 HB3AASN A 30 -7.961 14.309 4.076 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.456 14.117 6.540 0.50 0.00 H new ATOM 0 HD21AASN A 30 -11.397 15.722 3.677 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.484 15.487 3.639 0.50 0.00 H new ATOM 0 HD22AASN A 30 -10.500 14.338 3.044 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.576 13.929 4.468 0.50 0.00 H new ATOM 873 N AALA A 31 -8.822 10.507 5.680 0.50 0.00 N ATOM 874 N BALA A 31 -8.557 10.655 5.499 0.50 0.00 N ATOM 875 CA AALA A 31 -8.029 9.462 6.315 0.50 0.00 C ATOM 876 CA BALA A 31 -7.457 9.863 6.035 0.50 0.00 C ATOM 877 C AALA A 31 -7.310 8.611 5.274 0.50 0.00 C ATOM 878 C BALA A 31 -7.106 8.706 5.103 0.50 0.00 C ATOM 879 O AALA A 31 -7.892 8.232 4.257 0.50 0.00 O ATOM 880 O BALA A 31 -7.954 7.869 4.796 0.50 0.00 O ATOM 881 CB AALA A 31 -8.911 8.590 7.196 0.50 0.00 C ATOM 882 CB BALA A 31 -7.808 9.339 7.419 0.50 0.00 C ATOM 0 H AALA A 31 -9.812 10.282 5.580 0.50 0.00 H new ATOM 0 H BALA A 31 -9.307 10.105 5.079 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.274 9.941 6.939 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.583 10.510 6.114 0.50 0.00 H new ATOM 0 HB1AALA A 31 -8.305 7.814 7.663 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.977 8.749 7.806 0.50 0.00 H new ATOM 0 HB2AALA A 31 -9.374 9.204 7.969 0.50 0.00 H new ATOM 0 HB2BALA A 31 -8.000 10.178 8.088 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.688 8.126 6.588 0.50 0.00 H new ATOM 0 HB3BALA A 31 -8.698 8.713 7.356 0.50 0.00 H new ATOM 893 N ASER A 32 -6.040 8.314 5.535 0.50 0.00 N ATOM 894 N BSER A 32 -5.856 8.670 4.657 0.50 0.00 N ATOM 895 CA ASER A 32 -5.240 7.509 4.618 0.50 0.00 C ATOM 896 CA BSER A 32 -5.396 7.619 3.758 0.50 0.00 C ATOM 897 C ASER A 32 -4.664 6.289 5.327 0.50 0.00 C ATOM 898 C BSER A 32 -4.709 6.500 4.534 0.50 0.00 C ATOM 899 O ASER A 32 -4.026 6.410 6.373 0.50 0.00 O ATOM 900 O BSER A 32 -4.288 6.691 5.675 0.50 0.00 O ATOM 901 CB ASER A 32 -4.109 8.351 4.024 0.50 0.00 C ATOM 902 CB BSER A 32 -4.436 8.195 2.715 0.50 0.00 C ATOM 903 OG ASER A 32 -4.487 8.906 2.776 0.50 0.00 O ATOM 904 OG BSER A 32 -3.675 9.260 3.257 0.50 0.00 O ATOM 0 H ASER A 32 -5.544 8.618 6.373 0.50 0.00 H new ATOM 0 H BSER A 32 -5.143 9.357 4.903 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.889 7.165 3.813 0.50 0.00 H new ATOM 0 HA BSER A 32 -6.267 7.203 3.251 0.50 0.00 H new ATOM 0 HB2ASER A 32 -3.845 9.151 4.716 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.768 7.411 2.359 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.220 7.733 3.896 0.50 0.00 H new ATOM 0 HB3BSER A 32 -5.001 8.549 1.853 0.50 0.00 H new ATOM 0 HG ASER A 32 -3.748 9.441 2.418 0.50 0.00 H new ATOM 0 HG BSER A 32 -3.068 9.610 2.572 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.893 5.113 4.751 0.50 0.00 N ATOM 916 N BGLN A 33 -4.600 5.333 3.907 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.396 3.869 5.327 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.965 4.184 4.540 0.50 0.00 C ATOM 919 C AGLN A 33 -3.694 3.022 4.271 0.50 0.00 C ATOM 920 C BGLN A 33 -3.793 3.040 3.543 0.50 0.00 C ATOM 921 O AGLN A 33 -3.821 3.274 3.073 0.50 0.00 O ATOM 922 O BGLN A 33 -4.650 2.813 2.690 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.546 3.078 5.953 0.50 0.00 C ATOM 924 CB BGLN A 33 -4.790 3.712 5.738 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.352 2.790 7.432 0.50 0.00 C ATOM 926 CG BGLN A 33 -6.211 3.309 5.376 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.556 3.179 8.267 0.50 0.00 C ATOM 928 CD BGLN A 33 -7.039 2.936 6.588 0.50 0.00 C ATOM 929 OE1AGLN A 33 -6.454 4.003 9.178 0.50 0.00 O ATOM 930 OE1BGLN A 33 -7.568 3.803 7.285 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.705 2.589 7.960 0.50 0.00 N ATOM 932 NE2BGLN A 33 -7.158 1.639 6.850 0.50 0.00 N ATOM 0 H AGLN A 33 -5.420 4.996 3.885 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.943 5.159 2.962 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.673 4.120 6.103 0.50 0.00 H new ATOM 0 HA BGLN A 33 -2.979 4.492 4.887 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.474 3.634 5.818 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -4.288 2.864 6.203 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.660 2.134 5.419 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -4.825 4.509 6.481 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -5.149 1.728 7.567 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -6.695 4.132 4.850 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -4.476 3.330 7.791 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -6.181 2.464 4.688 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.743 1.913 7.198 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.704 0.953 6.247 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.550 2.812 8.487 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.704 1.329 7.654 0.50 0.00 H new ATOM 949 N APHE A 34 -2.954 2.015 4.725 0.50 0.00 N ATOM 950 N BPHE A 34 -2.680 2.325 3.658 0.50 0.00 N ATOM 951 CA APHE A 34 -2.231 1.130 3.819 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.395 1.207 2.767 0.50 0.00 C ATOM 953 C APHE A 34 -2.718 -0.309 3.962 0.50 0.00 C ATOM 954 C BPHE A 34 -3.306 0.020 3.075 0.50 0.00 C ATOM 955 O APHE A 34 -1.971 -1.255 3.716 0.50 0.00 O ATOM 956 O BPHE A 34 -3.726 -0.702 2.171 0.50 0.00 O ATOM 957 CB APHE A 34 -0.729 1.200 4.096 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.928 0.784 2.896 0.50 0.00 C ATOM 959 CG APHE A 34 0.066 1.770 2.954 0.50 0.00 C ATOM 960 CG BPHE A 34 0.038 1.924 2.740 0.50 0.00 C ATOM 961 CD1APHE A 34 0.389 0.985 1.858 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.194 2.556 1.518 0.50 0.00 C ATOM 963 CD2APHE A 34 0.487 3.089 2.976 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.793 2.361 3.818 0.50 0.00 C ATOM 965 CE1APHE A 34 1.119 1.506 0.806 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.082 3.605 1.371 0.50 0.00 C ATOM 967 CE2APHE A 34 1.217 3.614 1.928 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.682 3.408 3.677 0.50 0.00 C ATOM 969 CZ APHE A 34 1.534 2.822 0.841 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.828 4.031 2.453 0.50 0.00 C ATOM 0 H APHE A 34 -2.840 1.792 5.714 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.960 2.500 4.359 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.422 1.461 2.798 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.584 1.533 1.744 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.560 1.807 4.985 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.776 0.319 3.870 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.362 0.198 4.320 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.709 0.026 2.144 0.50 0.00 H new ATOM 0 HD1APHE A 34 0.067 -0.045 1.826 0.50 0.00 H new ATOM 0 HD1BPHE A 34 -0.386 2.225 0.669 0.50 0.00 H new ATOM 0 HD2APHE A 34 0.242 3.714 3.822 0.50 0.00 H new ATOM 0 HD2BPHE A 34 0.685 1.877 4.778 0.50 0.00 H new ATOM 0 HE1APHE A 34 1.364 0.884 -0.042 0.50 0.00 H new ATOM 0 HE1BPHE A 34 1.192 4.090 0.413 0.50 0.00 H new ATOM 0 HE2APHE A 34 1.540 4.644 1.958 0.50 0.00 H new ATOM 0 HE2BPHE A 34 2.264 3.740 4.524 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.105 3.232 0.021 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.524 4.849 2.342 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.978 -0.464 4.358 0.50 0.00 N ATOM 990 N BGLU A 35 -3.604 -0.174 4.355 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.564 -1.789 4.534 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.462 -1.271 4.781 0.50 0.00 C ATOM 993 C AGLU A 35 -6.056 -1.770 4.209 0.50 0.00 C ATOM 994 C BGLU A 35 -5.924 -0.975 4.459 0.50 0.00 C ATOM 995 O AGLU A 35 -6.691 -0.715 4.218 0.50 0.00 O ATOM 996 O BGLU A 35 -6.337 0.184 4.407 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.350 -2.279 5.966 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.300 -1.523 6.282 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.092 -3.114 6.142 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.896 -1.944 6.680 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.849 -2.264 6.320 0.50 0.00 C ATOM 1002 CD BGLU A 35 -1.921 -0.784 6.697 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -1.934 -1.228 7.012 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -2.333 0.331 7.079 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -0.791 -2.634 5.768 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -0.746 -0.989 6.328 0.50 0.00 O ATOM 0 H AGLU A 35 -4.611 0.309 4.563 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.263 0.415 5.115 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.067 -2.473 3.846 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.161 -2.166 4.236 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.300 -1.418 6.632 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.566 -0.616 6.825 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.214 -2.869 6.272 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -5.003 -2.297 6.590 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.210 -3.764 7.009 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.925 -2.403 7.668 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.965 -3.760 5.273 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.538 -2.704 5.985 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.606 -2.944 3.921 0.50 0.00 N ATOM 1020 N BARG A 36 -6.703 -2.031 4.243 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.022 -3.063 3.590 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.118 -1.885 3.925 0.50 0.00 C ATOM 1023 C AARG A 36 -8.886 -2.388 4.650 0.50 0.00 C ATOM 1024 C BARG A 36 -8.951 -1.753 5.196 0.50 0.00 C ATOM 1025 O AARG A 36 -9.018 -2.866 5.778 0.50 0.00 O ATOM 1026 O BARG A 36 -9.021 -2.665 6.018 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.413 -4.536 3.461 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.603 -3.081 3.105 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.730 -4.754 2.733 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.933 -2.845 2.410 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.673 -4.226 1.306 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.564 -4.150 1.951 0.50 0.00 C ATOM 1033 NE AARG A 36 -9.962 -5.269 0.326 0.50 0.00 N ATOM 1034 NE BARG A 36 -9.653 -4.936 1.124 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.161 -5.813 0.165 0.50 0.00 C ATOM 1036 CZ BARG A 36 -9.941 -6.148 0.662 0.50 0.00 C ATOM 1037 NH1AARG A 36 -12.180 -5.418 0.916 0.50 0.00 N ATOM 1038 NH1BARG A 36 -11.107 -6.709 0.943 0.50 0.00 N ATOM 1039 NH2AARG A 36 -11.346 -6.759 -0.750 0.50 0.00 N ATOM 1040 NH2BARG A 36 -9.059 -6.802 -0.085 0.50 0.00 N ATOM 0 H AARG A 36 -6.094 -3.826 3.910 0.50 0.00 H new ATOM 0 H BARG A 36 -6.377 -2.997 4.283 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.191 -2.563 2.636 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.241 -0.976 3.336 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.622 -5.068 2.932 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.850 -3.326 2.356 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.481 -4.974 4.457 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.694 -3.947 3.761 0.50 0.00 H new ATOM 0 HG2AARG A 36 -9.968 -5.818 2.719 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.613 -2.331 3.089 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.533 -4.255 3.275 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.784 -2.190 1.551 0.50 0.00 H new ATOM 0 HD2AARG A 36 -10.389 -3.412 1.191 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.860 -4.735 2.821 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.684 -3.810 1.112 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.472 -3.935 1.387 0.50 0.00 H new ATOM 0 HE AARG A 36 -9.200 -5.597 -0.267 0.50 0.00 H new ATOM 0 HE BARG A 36 -8.746 -4.533 0.888 0.50 0.00 H new ATOM 0 HH11AARG A 36 -12.043 -4.693 1.621 0.50 0.00 H new ATOM 0 HH11BARG A 36 -11.788 -6.211 1.516 0.50 0.00 H new ATOM 0 HH12AARG A 36 -13.100 -5.839 0.789 0.50 0.00 H new ATOM 0 HH12BARG A 36 -11.324 -7.640 0.586 0.50 0.00 H new ATOM 0 HH21AARG A 36 -10.565 -7.068 -1.330 0.50 0.00 H new ATOM 0 HH21BARG A 36 -8.160 -6.374 -0.304 0.50 0.00 H new ATOM 0 HH22AARG A 36 -12.269 -7.176 -0.873 0.50 0.00 H new ATOM 0 HH22BARG A 36 -9.281 -7.732 -0.439 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.489 -1.246 4.283 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.597 -0.590 5.363 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.352 -0.480 5.188 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.437 -0.310 6.532 0.50 0.00 C ATOM 1071 C APRO A 37 -11.665 -1.196 5.483 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.719 -1.136 6.533 0.50 0.00 C ATOM 1073 O APRO A 37 -12.549 -1.264 4.628 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.487 -1.110 5.572 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.609 0.818 4.418 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.760 1.179 6.388 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.437 0.448 2.986 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.642 1.454 4.929 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.377 -0.618 2.958 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.558 0.543 4.422 0.50 0.00 C ATOM 0 HA APRO A 37 -9.888 -0.328 6.163 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.935 -0.562 7.466 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.611 1.201 4.610 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.762 1.404 6.753 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.908 1.599 4.712 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -10.066 1.792 6.964 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.372 0.080 2.563 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.585 1.260 4.418 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.137 1.312 2.393 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.390 2.499 4.748 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.551 -1.336 2.157 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.749 0.222 3.398 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.386 -0.195 2.797 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.585 1.035 4.425 0.50 0.00 H new ATOM 1095 N ASER A 38 -11.788 -1.726 6.695 0.50 0.00 N ATOM 1096 N BSER A 38 -11.945 -1.866 7.622 0.50 0.00 N ATOM 1097 CA ASER A 38 -12.992 -2.442 7.099 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.133 -2.701 7.748 0.50 0.00 C ATOM 1099 C ASER A 38 -14.183 -1.492 7.185 0.50 0.00 C ATOM 1100 C BSER A 38 -13.982 -2.261 8.936 0.50 0.00 C ATOM 1101 O ASER A 38 -15.083 -1.527 6.347 0.50 0.00 O ATOM 1102 O BSER A 38 -14.050 -2.949 9.954 0.50 0.00 O ATOM 1103 CB ASER A 38 -12.776 -3.127 8.449 0.50 0.00 C ATOM 1104 CB BSER A 38 -12.734 -4.170 7.907 0.50 0.00 C ATOM 1105 OG ASER A 38 -12.374 -2.194 9.437 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.865 -5.020 7.815 0.50 0.00 O ATOM 0 H ASER A 38 -11.068 -1.673 7.415 0.50 0.00 H new ATOM 0 H BSER A 38 -11.321 -1.895 8.428 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.204 -3.200 6.345 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.725 -2.589 6.840 0.50 0.00 H new ATOM 0 HB2ASER A 38 -13.697 -3.619 8.762 0.50 0.00 H new ATOM 0 HB2BSER A 38 -12.010 -4.439 7.138 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.018 -3.904 8.349 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.244 -4.315 8.870 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.088 -2.092 10.100 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.583 -5.953 7.918 0.50 0.00 H new ATOM 1117 N AGLY A 39 -14.180 -0.639 8.207 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.631 -1.108 8.798 0.50 0.00 N ATOM 1119 CA AGLY A 39 -15.264 0.309 8.383 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.467 -0.594 9.866 0.50 0.00 C ATOM 1121 C AGLY A 39 -15.589 0.550 9.846 0.50 0.00 C ATOM 1122 C BGLY A 39 -14.662 0.075 10.961 0.50 0.00 C ATOM 1123 O AGLY A 39 -15.138 -0.190 10.718 0.50 0.00 O ATOM 1124 O BGLY A 39 -14.037 -0.624 11.757 0.50 0.00 O ATOM 0 H AGLY A 39 -13.447 -0.589 8.914 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.592 -0.521 7.965 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -14.996 1.255 7.912 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -16.179 0.121 9.454 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.153 -0.061 7.872 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.048 -1.411 10.294 0.50 0.00 H new