USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 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= 0.243 K(o=-7.5,f=-18!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -7.68! C(o=-7.5!,f=-20!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= -0.0865 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 155:sc= -0.0439 (180deg=-0.339) USER MOD Single : A 13 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= -0.284 USER MOD Single : A 16 SER OG B: rot -130:sc= 0.0935 USER MOD Single : A 18 ASN A: amide:sc= -0.641 K(o=-0.64,f=-2.5!) USER MOD Single : A 18 ASN B: amide:sc= -0.0693 K(o=-0.069,f=-1.9) USER MOD Single : A 19 SER OG A: rot 59:sc= 0.0119 USER MOD Single : A 19 SER OG B: rot 180:sc= 0 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A: no HE2:sc= -1.82 K(o=-1.8,f=-3.1!) USER MOD Single : A 27 HIS B: no HD1:sc= 0.296 K(o=0.3,f=-2.4!) USER MOD Single : A 29 THR OG1B: rot 179:sc= -1.15 USER MOD Single : A 30 ASN A: amide:sc= -0.107 X(o=-0.11,f=-0.011) USER MOD Single : A 30 ASN B: amide:sc= -0.158 X(o=-0.16,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= 0.00406 USER MOD Single : A 33 GLN A: amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 33 GLN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG A: rot 113:sc= 0.132 USER MOD Single : A 38 SER OG B: rot 180:sc=-0.00519 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -12.391 -3.788 -4.586 0.50 0.00 N ATOM 24 N BLYS A 6 -12.283 -5.330 -3.996 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.564 -4.054 -3.763 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.031 -5.301 -2.745 0.50 0.00 C ATOM 27 C ALYS A 6 -13.488 -3.296 -2.442 0.50 0.00 C ATOM 28 C BLYS A 6 -12.557 -4.158 -1.853 0.50 0.00 C ATOM 29 O ALYS A 6 -13.013 -3.829 -1.437 0.50 0.00 O ATOM 30 O BLYS A 6 -11.364 -4.028 -1.574 0.50 0.00 O ATOM 31 CB ALYS A 6 -13.696 -5.555 -3.497 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.882 -6.634 -2.006 0.50 0.00 C ATOM 33 CG ALYS A 6 -13.479 -6.414 -4.731 0.50 0.00 C ATOM 34 CG BLYS A 6 -13.035 -7.848 -2.907 0.50 0.00 C ATOM 35 CD ALYS A 6 -13.602 -7.894 -4.409 0.50 0.00 C ATOM 36 CD BLYS A 6 -14.045 -8.835 -2.347 0.50 0.00 C ATOM 37 CE ALYS A 6 -14.900 -8.475 -4.946 0.50 0.00 C ATOM 38 CE BLYS A 6 -15.363 -8.775 -3.104 0.50 0.00 C ATOM 39 NZ ALYS A 6 -14.735 -9.027 -6.320 0.50 0.00 N ATOM 40 NZ BLYS A 6 -15.217 -9.243 -4.510 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.443 -3.709 -4.307 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.082 -5.140 -2.984 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -12.975 -5.844 -2.732 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -11.903 -6.668 -1.528 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -14.688 -5.758 -3.093 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.627 -6.685 -1.212 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -14.208 -6.145 -5.495 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -13.350 -7.528 -3.900 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.492 -6.212 -5.147 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -12.069 -8.340 -3.022 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -12.757 -8.432 -4.838 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -13.638 -9.845 -2.403 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -13.557 -8.038 -3.329 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -14.220 -8.620 -1.293 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -15.249 -9.262 -4.278 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -16.104 -9.389 -2.592 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -15.668 -7.701 -4.955 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -15.738 -7.752 -3.099 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -15.642 -9.413 -6.650 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -16.134 -9.589 -4.858 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -14.426 -8.270 -6.963 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -14.896 -8.454 -5.107 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -14.021 -9.783 -6.307 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -14.519 -10.013 -4.549 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.958 -2.054 -2.448 0.50 0.00 N ATOM 68 N BLEU A 7 -13.497 -3.333 -1.406 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.943 -1.223 -1.250 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.177 -2.202 -0.542 0.50 0.00 C ATOM 71 C ALEU A 7 -15.354 -0.773 -0.883 0.50 0.00 C ATOM 72 C BLEU A 7 -14.446 -1.508 -0.059 0.50 0.00 C ATOM 73 O ALEU A 7 -16.256 -0.733 -1.720 0.50 0.00 O ATOM 74 O BLEU A 7 -15.503 -1.590 -0.683 0.50 0.00 O ATOM 75 CB ALEU A 7 -13.043 -0.005 -1.460 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.289 -1.203 -1.287 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.556 -0.211 -1.177 0.50 0.00 C ATOM 78 CG BLEU A 7 -12.985 -0.342 -2.340 0.50 0.00 C ATOM 79 CD1ALEU A 7 -11.049 -1.464 -1.875 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.925 1.126 -1.951 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.755 1.006 -1.617 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.354 -0.559 -3.709 0.50 0.00 C ATOM 0 H ALEU A 7 -14.355 -1.600 -3.271 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.488 -3.426 -1.628 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.547 -1.820 -0.428 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.640 -2.581 0.327 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.153 0.329 -2.492 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -11.826 -0.542 -0.554 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.405 0.803 -0.824 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.484 -1.755 -1.772 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.425 -0.339 -0.102 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.032 -0.641 -2.393 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.988 -1.595 -1.662 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.425 1.725 -2.712 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.601 -2.331 -1.513 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.423 1.269 -0.992 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.194 -1.365 -2.951 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.884 1.439 -1.870 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.698 0.841 -1.408 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.862 0.062 -4.447 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.893 1.165 -2.687 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.299 -0.287 -3.671 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.100 1.885 -1.072 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.448 -1.608 -3.991 0.50 0.00 H new ATOM 105 N APRO A 8 -15.548 -0.422 0.396 0.50 0.00 N ATOM 106 N BPRO A 8 -14.340 -0.808 1.080 0.50 0.00 N ATOM 107 CA APRO A 8 -16.846 0.035 0.902 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.468 -0.085 1.672 0.50 0.00 C ATOM 109 C APRO A 8 -17.224 1.411 0.366 0.50 0.00 C ATOM 110 C BPRO A 8 -15.875 1.133 0.845 0.50 0.00 C ATOM 111 O APRO A 8 -16.434 2.088 -0.291 0.50 0.00 O ATOM 112 O BPRO A 8 -15.104 1.646 0.034 0.50 0.00 O ATOM 113 CB APRO A 8 -16.637 0.090 2.418 0.50 0.00 C ATOM 114 CB BPRO A 8 -14.933 0.353 3.039 0.50 0.00 C ATOM 115 CG APRO A 8 -15.170 0.284 2.591 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.455 0.414 2.864 0.50 0.00 C ATOM 117 CD APRO A 8 -14.518 -0.447 1.448 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.110 -0.668 1.878 0.50 0.00 C ATOM 0 HA APRO A 8 -17.658 -0.623 0.594 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.363 -0.704 1.728 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.200 0.909 2.866 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.338 1.322 3.331 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.974 -0.829 2.898 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.211 -0.356 3.819 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.912 1.343 2.575 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.146 1.392 2.495 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.834 -0.112 3.550 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -12.943 0.255 3.813 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.602 0.047 1.125 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.258 -0.389 1.258 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.250 -1.467 1.724 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -12.848 -1.600 2.379 0.50 0.00 H new ATOM 133 N APRO A 9 -18.464 1.838 0.653 0.50 0.00 N ATOM 134 N BPRO A 9 -17.111 1.605 1.055 0.50 0.00 N ATOM 135 CA APRO A 9 -18.976 3.138 0.210 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.647 2.767 0.339 0.50 0.00 C ATOM 137 C APRO A 9 -18.303 4.301 0.929 0.50 0.00 C ATOM 138 C BPRO A 9 -16.973 4.069 0.761 0.50 0.00 C ATOM 139 O APRO A 9 -18.404 4.433 2.148 0.50 0.00 O ATOM 140 O BPRO A 9 -16.604 4.240 1.923 0.50 0.00 O ATOM 141 CB APRO A 9 -20.462 3.076 0.568 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.125 2.778 0.737 0.50 0.00 C ATOM 143 CG APRO A 9 -20.541 2.099 1.690 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.170 2.081 2.052 0.50 0.00 C ATOM 145 CD APRO A 9 -19.460 1.085 1.432 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.083 1.041 2.006 0.50 0.00 C ATOM 0 HA APRO A 9 -18.786 3.311 -0.849 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.481 2.696 -0.736 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.838 4.054 0.868 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.506 3.796 0.816 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.061 2.751 -0.283 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.738 2.265 -0.004 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.391 2.594 2.650 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.006 2.781 2.871 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.521 1.624 1.726 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.144 1.621 2.217 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.038 0.703 2.361 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.638 0.881 2.988 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.839 0.227 0.877 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.463 0.077 1.668 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.614 5.146 0.166 0.50 0.00 N ATOM 162 N BGLY A 10 -16.815 4.983 -0.190 0.50 0.00 N ATOM 163 CA AGLY A 10 -16.934 6.288 0.748 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.186 6.258 0.103 0.50 0.00 C ATOM 165 C AGLY A 10 -15.438 6.253 0.516 0.50 0.00 C ATOM 166 C BGLY A 10 -14.693 6.242 -0.160 0.50 0.00 C ATOM 167 O AGLY A 10 -14.772 7.288 0.557 0.50 0.00 O ATOM 168 O BGLY A 10 -14.125 7.238 -0.609 0.50 0.00 O ATOM 0 H AGLY A 10 -17.515 5.059 -0.845 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.111 4.864 -1.159 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.343 7.205 0.324 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.650 7.036 -0.503 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.132 6.317 1.820 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.365 6.517 1.147 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.906 5.062 0.270 0.50 0.00 N ATOM 176 N BTRP A 11 -14.057 5.110 0.120 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.477 4.896 0.030 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.621 4.970 -0.086 0.50 0.00 C ATOM 179 C ATRP A 11 -13.178 4.850 -1.464 0.50 0.00 C ATOM 180 C BTRP A 11 -12.306 4.702 -1.554 0.50 0.00 C ATOM 181 O ATRP A 11 -14.038 4.494 -2.266 0.50 0.00 O ATOM 182 O BTRP A 11 -13.056 4.007 -2.242 0.50 0.00 O ATOM 183 CB ATRP A 11 -12.970 3.620 0.706 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.067 3.840 0.781 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.622 3.810 2.151 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.282 4.057 2.249 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.451 3.642 3.223 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.417 3.784 2.959 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.353 4.207 2.681 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.339 4.593 3.183 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.774 3.910 4.387 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.234 4.119 4.279 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.484 4.257 4.082 0.50 0.00 C ATOM 194 CE2BTRP A 11 -11.969 4.617 4.442 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.118 4.522 2.109 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.024 5.053 3.079 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.429 4.611 4.917 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.326 5.085 5.585 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.070 4.872 2.939 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.388 5.517 4.213 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.229 4.915 4.330 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.039 5.529 5.455 0.50 0.00 C ATOM 0 H ATRP A 11 -15.443 4.196 0.231 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.513 4.276 0.490 0.50 0.00 H new ATOM 0 HA ATRP A 11 -12.959 5.754 0.458 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.145 5.907 0.204 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.733 2.846 0.622 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.538 2.902 0.487 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.090 3.260 0.172 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.999 3.735 0.589 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.487 3.342 3.164 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.323 3.367 2.545 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.168 3.859 5.327 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -13.929 4.014 5.018 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -9.985 4.493 1.038 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.513 5.046 2.127 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.552 4.645 5.989 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -11.827 5.097 6.542 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.111 5.117 2.507 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.372 5.877 4.142 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.390 5.193 4.951 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.514 5.896 6.325 0.50 0.00 H new ATOM 223 N AGLU A 12 -11.951 5.210 -1.829 0.50 0.00 N ATOM 224 N BGLU A 12 -11.195 5.255 -2.029 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.538 5.208 -3.228 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.784 5.076 -3.416 0.50 0.00 C ATOM 227 C AGLU A 12 -10.204 4.491 -3.402 0.50 0.00 C ATOM 228 C BGLU A 12 -9.459 4.323 -3.497 0.50 0.00 C ATOM 229 O AGLU A 12 -9.185 4.907 -2.850 0.50 0.00 O ATOM 230 O BGLU A 12 -8.575 4.507 -2.661 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.432 6.642 -3.750 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.658 6.431 -4.115 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.230 6.728 -5.254 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.808 7.377 -3.818 0.50 0.00 C ATOM 235 CD AGLU A 12 -10.960 8.143 -5.727 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.140 8.281 -4.991 0.50 0.00 C ATOM 237 OE1AGLU A 12 -10.312 8.905 -4.980 0.50 0.00 O ATOM 238 OE1BGLU A 12 -11.855 9.493 -4.905 0.50 0.00 O ATOM 239 OE2AGLU A 12 -11.398 8.490 -6.845 0.50 0.00 O ATOM 240 OE2BGLU A 12 -12.684 7.772 -5.994 0.50 0.00 O ATOM 0 H AGLU A 12 -11.226 5.507 -1.176 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.563 5.831 -1.473 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.293 4.673 -3.803 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.549 4.487 -3.921 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.338 7.185 -3.482 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -9.723 6.902 -3.811 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.601 7.141 -3.251 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.599 6.271 -5.192 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.396 6.088 -5.542 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.691 6.796 -3.551 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.116 6.343 -5.758 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.555 7.990 -2.953 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.217 3.408 -4.172 0.50 0.00 N ATOM 254 N BLYS A 13 -9.328 3.476 -4.512 0.50 0.00 N ATOM 255 CA ALYS A 13 -9.010 2.630 -4.422 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.111 2.695 -4.705 0.50 0.00 C ATOM 257 C ALYS A 13 -8.159 3.281 -5.506 0.50 0.00 C ATOM 258 C BLYS A 13 -7.223 3.328 -5.772 0.50 0.00 C ATOM 259 O ALYS A 13 -8.498 3.228 -6.689 0.50 0.00 O ATOM 260 O BLYS A 13 -7.607 3.419 -6.938 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.373 1.202 -4.831 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.460 1.258 -5.103 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.169 0.293 -5.005 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.263 0.451 -5.574 0.50 0.00 C ATOM 265 CD ALYS A 13 -7.808 0.120 -6.470 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.277 0.262 -7.083 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.103 -1.206 -6.718 0.50 0.00 C ATOM 268 CE BLYS A 13 -6.847 -1.143 -7.472 0.50 0.00 C ATOM 269 NZ ALYS A 13 -6.180 -1.133 -7.884 0.50 0.00 N ATOM 270 NZ BLYS A 13 -7.575 -1.633 -8.675 0.50 0.00 N ATOM 0 H ALYS A 13 -11.052 3.049 -4.634 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.050 3.312 -5.214 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.430 2.599 -3.499 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.564 2.681 -3.762 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -10.034 0.774 -4.077 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -8.915 0.754 -4.250 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.933 1.232 -5.766 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.207 1.281 -5.896 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.317 0.709 -4.466 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.343 0.956 -5.278 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -8.381 -0.681 -4.564 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -7.264 -0.523 -5.084 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.712 0.172 -7.077 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.279 0.456 -7.466 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -7.164 0.940 -6.786 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -6.612 0.989 -7.548 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -6.542 -1.491 -5.828 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -5.775 -1.154 -7.667 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -7.845 -1.985 -6.890 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -7.026 -1.822 -6.638 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -5.719 -2.055 -8.020 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -7.253 -2.594 -8.908 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -6.719 -0.886 -8.738 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -8.597 -1.647 -8.481 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -5.456 -0.407 -7.709 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -7.384 -1.000 -9.478 0.50 0.00 H new ATOM 297 N AARG A 14 -7.052 3.892 -5.098 0.50 0.00 N ATOM 298 N BARG A 14 -6.035 3.762 -5.364 0.50 0.00 N ATOM 299 CA AARG A 14 -6.151 4.551 -6.036 0.50 0.00 C ATOM 300 CA BARG A 14 -5.091 4.385 -6.285 0.50 0.00 C ATOM 301 C AARG A 14 -4.828 3.799 -6.141 0.50 0.00 C ATOM 302 C BARG A 14 -3.725 3.711 -6.202 0.50 0.00 C ATOM 303 O AARG A 14 -4.532 2.928 -5.324 0.50 0.00 O ATOM 304 O BARG A 14 -3.322 3.234 -5.142 0.50 0.00 O ATOM 305 CB AARG A 14 -5.895 5.995 -5.599 0.50 0.00 C ATOM 306 CB BARG A 14 -4.957 5.877 -5.979 0.50 0.00 C ATOM 307 CG AARG A 14 -7.166 6.798 -5.375 0.50 0.00 C ATOM 308 CG BARG A 14 -6.265 6.536 -5.573 0.50 0.00 C ATOM 309 CD AARG A 14 -7.440 7.745 -6.533 0.50 0.00 C ATOM 310 CD BARG A 14 -6.433 7.896 -6.234 0.50 0.00 C ATOM 311 NE AARG A 14 -7.778 7.025 -7.758 0.50 0.00 N ATOM 312 NE BARG A 14 -7.826 8.337 -6.233 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.444 7.571 -8.771 0.50 0.00 C ATOM 314 CZ BARG A 14 -8.721 7.943 -7.131 0.50 0.00 C ATOM 315 NH1AARG A 14 -8.837 8.836 -8.705 0.50 0.00 N ATOM 316 NH1BARG A 14 -8.372 7.106 -8.098 0.50 0.00 N ATOM 317 NH2AARG A 14 -8.715 6.854 -9.852 0.50 0.00 N ATOM 318 NH2BARG A 14 -9.968 8.390 -7.066 0.50 0.00 N ATOM 0 H AARG A 14 -6.757 3.945 -4.123 0.50 0.00 H new ATOM 0 H BARG A 14 -5.703 3.694 -4.402 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.626 4.552 -7.017 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.475 4.263 -7.298 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.312 5.989 -4.678 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.229 6.011 -5.179 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.289 6.493 -6.356 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.562 6.385 -6.858 0.50 0.00 H new ATOM 0 HG2AARG A 14 -8.010 6.119 -5.252 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.099 5.891 -5.848 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.079 7.368 -4.450 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.295 6.651 -4.489 0.50 0.00 H new ATOM 0 HD2AARG A 14 -8.258 8.415 -6.268 0.50 0.00 H new ATOM 0 HD2BARG A 14 -5.820 8.631 -5.712 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.563 8.367 -6.708 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.069 7.848 -7.260 0.50 0.00 H new ATOM 0 HE AARG A 14 -7.487 6.051 -7.841 0.50 0.00 H new ATOM 0 HE BARG A 14 -8.127 8.982 -5.503 0.50 0.00 H new ATOM 0 HH11AARG A 14 -8.628 9.392 -7.876 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.413 6.763 -8.154 0.50 0.00 H new ATOM 0 HH12AARG A 14 -9.348 9.253 -9.483 0.50 0.00 H new ATOM 0 HH12BARG A 14 -9.062 6.805 -8.786 0.50 0.00 H new ATOM 0 HH21AARG A 14 -8.413 5.881 -9.908 0.50 0.00 H new ATOM 0 HH21BARG A 14 -10.240 9.037 -6.326 0.50 0.00 H new ATOM 0 HH22AARG A 14 -9.226 7.275 -10.628 0.50 0.00 H new ATOM 0 HH22BARG A 14 -10.655 8.087 -7.756 0.50 0.00 H new ATOM 345 N AMET A 15 -4.038 4.142 -7.152 0.50 0.00 N ATOM 346 N BMET A 15 -3.016 3.680 -7.325 0.50 0.00 N ATOM 347 CA AMET A 15 -2.746 3.497 -7.364 0.50 0.00 C ATOM 348 CA BMET A 15 -1.694 3.067 -7.377 0.50 0.00 C ATOM 349 C AMET A 15 -1.631 4.535 -7.458 0.50 0.00 C ATOM 350 C BMET A 15 -0.634 4.096 -7.755 0.50 0.00 C ATOM 351 O AMET A 15 -1.852 5.660 -7.908 0.50 0.00 O ATOM 352 O BMET A 15 -0.678 4.680 -8.837 0.50 0.00 O ATOM 353 CB AMET A 15 -2.777 2.649 -8.637 0.50 0.00 C ATOM 354 CB BMET A 15 -1.684 1.915 -8.383 0.50 0.00 C ATOM 355 CG AMET A 15 -1.928 1.392 -8.549 0.50 0.00 C ATOM 356 CG BMET A 15 -0.779 0.763 -7.976 0.50 0.00 C ATOM 357 SD AMET A 15 -0.466 1.464 -9.601 0.50 0.00 S ATOM 358 SD BMET A 15 -1.673 -0.794 -7.801 0.50 0.00 S ATOM 359 CE AMET A 15 -0.242 -0.268 -9.991 0.50 0.00 C ATOM 360 CE BMET A 15 -1.244 -1.605 -9.341 0.50 0.00 C ATOM 0 H AMET A 15 -4.268 4.862 -7.837 0.50 0.00 H new ATOM 0 H BMET A 15 -3.334 4.072 -8.211 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.546 2.849 -6.510 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.461 2.677 -6.386 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.808 2.367 -8.851 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.701 1.542 -8.506 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.431 3.254 -9.475 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.363 2.293 -9.354 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.619 1.239 -7.515 0.50 0.00 H new ATOM 0 HG2BMET A 15 0.008 0.644 -8.720 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.532 0.530 -8.832 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.291 1.005 -7.032 0.50 0.00 H new ATOM 0 HE1AMET A 15 0.627 -0.386 -10.638 0.50 0.00 H new ATOM 0 HE1BMET A 15 -1.723 -2.583 -9.383 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.089 -0.831 -9.071 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.586 -0.998 -10.179 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.128 -0.643 -10.503 0.50 0.00 H new ATOM 0 HE3BMET A 15 -0.162 -1.727 -9.399 0.50 0.00 H new ATOM 379 N ASER A 16 -0.433 4.149 -7.031 0.50 0.00 N ATOM 380 N BSER A 16 0.321 4.312 -6.855 0.50 0.00 N ATOM 381 CA ASER A 16 0.715 5.046 -7.062 0.50 0.00 C ATOM 382 CA BSER A 16 1.393 5.273 -7.094 0.50 0.00 C ATOM 383 C ASER A 16 1.728 4.595 -8.111 0.50 0.00 C ATOM 384 C BSER A 16 2.202 4.891 -8.329 0.50 0.00 C ATOM 385 O ASER A 16 1.677 3.464 -8.593 0.50 0.00 O ATOM 386 O BSER A 16 2.675 3.760 -8.448 0.50 0.00 O ATOM 387 CB ASER A 16 1.381 5.109 -5.687 0.50 0.00 C ATOM 388 CB BSER A 16 2.311 5.356 -5.875 0.50 0.00 C ATOM 389 OG ASER A 16 2.589 5.847 -5.736 0.50 0.00 O ATOM 390 OG BSER A 16 1.642 4.930 -4.700 0.50 0.00 O ATOM 0 H ASER A 16 -0.233 3.220 -6.659 0.50 0.00 H new ATOM 0 H BSER A 16 0.374 3.835 -5.955 0.50 0.00 H new ATOM 0 HA ASER A 16 0.359 6.041 -7.329 0.50 0.00 H new ATOM 0 HA BSER A 16 0.940 6.249 -7.267 0.50 0.00 H new ATOM 0 HB2ASER A 16 0.700 5.569 -4.971 0.50 0.00 H new ATOM 0 HB2BSER A 16 3.194 4.738 -6.038 0.50 0.00 H new ATOM 0 HB3ASER A 16 1.583 4.099 -5.331 0.50 0.00 H new ATOM 0 HB3BSER A 16 2.659 6.381 -5.747 0.50 0.00 H new ATOM 0 HG ASER A 16 2.993 5.873 -4.844 0.50 0.00 H new ATOM 0 HG BSER A 16 1.764 5.598 -3.994 0.50 0.00 H new ATOM 401 N AARG A 17 2.650 5.489 -8.457 0.50 0.00 N ATOM 402 N BARG A 17 2.357 5.841 -9.245 0.50 0.00 N ATOM 403 CA AARG A 17 3.675 5.184 -9.448 0.50 0.00 C ATOM 404 CA BARG A 17 3.108 5.602 -10.472 0.50 0.00 C ATOM 405 C AARG A 17 5.066 5.228 -8.822 0.50 0.00 C ATOM 406 C BARG A 17 4.430 4.903 -10.174 0.50 0.00 C ATOM 407 O AARG A 17 5.219 5.563 -7.648 0.50 0.00 O ATOM 408 O BARG A 17 4.895 4.075 -10.956 0.50 0.00 O ATOM 409 CB AARG A 17 3.596 6.172 -10.614 0.50 0.00 C ATOM 410 CB BARG A 17 3.371 6.924 -11.198 0.50 0.00 C ATOM 411 CG AARG A 17 3.860 7.612 -10.210 0.50 0.00 C ATOM 412 CG BARG A 17 4.174 6.767 -12.478 0.50 0.00 C ATOM 413 CD AARG A 17 4.508 8.399 -11.341 0.50 0.00 C ATOM 414 CD BARG A 17 4.808 8.082 -12.903 0.50 0.00 C ATOM 415 NE AARG A 17 3.863 8.140 -12.625 0.50 0.00 N ATOM 416 NE BARG A 17 3.859 9.191 -12.842 0.50 0.00 N ATOM 417 CZ AARG A 17 2.737 8.732 -13.014 0.50 0.00 C ATOM 418 CZ BARG A 17 2.842 9.336 -13.684 0.50 0.00 C ATOM 419 NH1AARG A 17 2.137 9.609 -12.221 0.50 0.00 N ATOM 420 NH1BARG A 17 2.642 8.449 -14.649 0.50 0.00 N ATOM 421 NH2AARG A 17 2.212 8.446 -14.197 0.50 0.00 N ATOM 422 NH2BARG A 17 2.022 10.372 -13.564 0.50 0.00 N ATOM 0 H AARG A 17 2.708 6.429 -8.066 0.50 0.00 H new ATOM 0 H BARG A 17 1.973 6.782 -9.161 0.50 0.00 H new ATOM 0 HA AARG A 17 3.496 4.176 -9.822 0.50 0.00 H new ATOM 0 HA BARG A 17 2.511 4.954 -11.113 0.50 0.00 H new ATOM 0 HB2AARG A 17 4.318 5.879 -11.377 0.50 0.00 H new ATOM 0 HB2BARG A 17 2.417 7.395 -11.433 0.50 0.00 H new ATOM 0 HB3AARG A 17 2.607 6.106 -11.069 0.50 0.00 H new ATOM 0 HB3BARG A 17 3.902 7.598 -10.526 0.50 0.00 H new ATOM 0 HG2AARG A 17 2.922 8.089 -9.924 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.952 6.018 -12.331 0.50 0.00 H new ATOM 0 HG3AARG A 17 4.508 7.632 -9.334 0.50 0.00 H new ATOM 0 HG3BARG A 17 3.525 6.401 -13.273 0.50 0.00 H new ATOM 0 HD2AARG A 17 4.457 9.465 -11.117 0.50 0.00 H new ATOM 0 HD2BARG A 17 5.661 8.298 -12.259 0.50 0.00 H new ATOM 0 HD3AARG A 17 5.564 8.138 -11.406 0.50 0.00 H new ATOM 0 HD3BARG A 17 5.191 7.988 -13.919 0.50 0.00 H new ATOM 0 HE AARG A 17 4.299 7.469 -13.258 0.50 0.00 H new ATOM 0 HE BARG A 17 3.984 9.893 -12.112 0.50 0.00 H new ATOM 0 HH11AARG A 17 2.539 9.831 -11.310 0.50 0.00 H new ATOM 0 HH11BARG A 17 3.270 7.651 -14.747 0.50 0.00 H new ATOM 0 HH12AARG A 17 1.274 10.061 -12.522 0.50 0.00 H new ATOM 0 HH12BARG A 17 1.860 8.564 -15.293 0.50 0.00 H new ATOM 0 HH21AARG A 17 2.671 7.772 -14.809 0.50 0.00 H new ATOM 0 HH21BARG A 17 2.172 11.058 -12.825 0.50 0.00 H new ATOM 0 HH22AARG A 17 1.349 8.900 -14.495 0.50 0.00 H new ATOM 0 HH22BARG A 17 1.241 10.482 -14.211 0.50 0.00 H new ATOM 449 N AASN A 18 6.077 4.888 -9.615 0.50 0.00 N ATOM 450 N BASN A 18 5.030 5.240 -9.038 0.50 0.00 N ATOM 451 CA AASN A 18 7.456 4.888 -9.140 0.50 0.00 C ATOM 452 CA BASN A 18 6.299 4.644 -8.635 0.50 0.00 C ATOM 453 C AASN A 18 7.573 4.147 -7.811 0.50 0.00 C ATOM 454 C BASN A 18 6.077 3.519 -7.630 0.50 0.00 C ATOM 455 O AASN A 18 8.401 4.488 -6.968 0.50 0.00 O ATOM 456 O BASN A 18 5.401 3.699 -6.618 0.50 0.00 O ATOM 457 CB AASN A 18 7.962 6.324 -8.980 0.50 0.00 C ATOM 458 CB BASN A 18 7.217 5.709 -8.030 0.50 0.00 C ATOM 459 CG AASN A 18 8.279 6.975 -10.312 0.50 0.00 C ATOM 460 CG BASN A 18 7.530 6.825 -9.008 0.50 0.00 C ATOM 461 OD1AASN A 18 7.497 6.896 -11.258 0.50 0.00 O ATOM 462 OD1BASN A 18 7.139 6.772 -10.174 0.50 0.00 O ATOM 463 ND2AASN A 18 9.435 7.625 -10.392 0.50 0.00 N ATOM 464 ND2BASN A 18 8.243 7.841 -8.535 0.50 0.00 N ATOM 0 H AASN A 18 5.967 4.609 -10.590 0.50 0.00 H new ATOM 0 H BASN A 18 4.658 5.924 -8.379 0.50 0.00 H new ATOM 0 HA AASN A 18 8.069 4.373 -9.880 0.50 0.00 H new ATOM 0 HA BASN A 18 6.773 4.226 -9.523 0.50 0.00 H new ATOM 0 HB2AASN A 18 7.209 6.916 -8.459 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.745 6.129 -7.142 0.50 0.00 H new ATOM 0 HB3AASN A 18 8.856 6.324 -8.356 0.50 0.00 H new ATOM 0 HB3BASN A 18 8.147 5.242 -7.706 0.50 0.00 H new ATOM 0 HD21AASN A 18 9.703 8.083 -11.263 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.488 8.620 -9.146 0.50 0.00 H new ATOM 0 HD22AASN A 18 10.054 7.666 -9.582 0.50 0.00 H new ATOM 0 HD22BASN A 18 8.545 7.842 -7.561 0.50 0.00 H new ATOM 477 N ASER A 19 6.737 3.129 -7.633 0.50 0.00 N ATOM 478 N BSER A 19 6.652 2.354 -7.918 0.50 0.00 N ATOM 479 CA ASER A 19 6.744 2.340 -6.407 0.50 0.00 C ATOM 480 CA BSER A 19 6.515 1.197 -7.042 0.50 0.00 C ATOM 481 C ASER A 19 5.770 1.169 -6.509 0.50 0.00 C ATOM 482 C BSER A 19 5.092 0.647 -7.087 0.50 0.00 C ATOM 483 O ASER A 19 6.030 0.084 -5.992 0.50 0.00 O ATOM 484 O BSER A 19 4.746 -0.270 -6.344 0.50 0.00 O ATOM 485 CB ASER A 19 6.379 3.217 -5.208 0.50 0.00 C ATOM 486 CB BSER A 19 6.882 1.572 -5.605 0.50 0.00 C ATOM 487 OG ASER A 19 7.466 3.323 -4.305 0.50 0.00 O ATOM 488 OG BSER A 19 7.995 0.823 -5.151 0.50 0.00 O ATOM 0 H ASER A 19 6.046 2.831 -8.322 0.50 0.00 H new ATOM 0 H BSER A 19 7.217 2.188 -8.751 0.50 0.00 H new ATOM 0 HA ASER A 19 7.750 1.944 -6.266 0.50 0.00 H new ATOM 0 HA BSER A 19 7.197 0.423 -7.394 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.091 4.210 -5.554 0.50 0.00 H new ATOM 0 HB2BSER A 19 7.110 2.637 -5.551 0.50 0.00 H new ATOM 0 HB3ASER A 19 5.515 2.795 -4.694 0.50 0.00 H new ATOM 0 HB3BSER A 19 6.029 1.394 -4.950 0.50 0.00 H new ATOM 0 HG ASER A 19 8.240 3.706 -4.768 0.50 0.00 H new ATOM 0 HG BSER A 19 8.211 1.082 -4.231 0.50 0.00 H new ATOM 499 N AGLY A 20 4.645 1.400 -7.179 0.50 0.00 N ATOM 500 N BGLY A 20 4.272 1.214 -7.966 0.50 0.00 N ATOM 501 CA AGLY A 20 3.649 0.356 -7.337 0.50 0.00 C ATOM 502 CA BGLY A 20 2.897 0.768 -8.094 0.50 0.00 C ATOM 503 C AGLY A 20 3.026 -0.055 -6.018 0.50 0.00 C ATOM 504 C BGLY A 20 2.257 0.474 -6.754 0.50 0.00 C ATOM 505 O AGLY A 20 2.751 -1.234 -5.796 0.50 0.00 O ATOM 506 O BGLY A 20 1.483 -0.476 -6.621 0.50 0.00 O ATOM 0 H AGLY A 20 4.406 2.291 -7.615 0.50 0.00 H new ATOM 0 H BGLY A 20 4.535 1.975 -8.592 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.867 0.703 -8.012 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.317 1.533 -8.610 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.110 -0.514 -7.804 0.50 0.00 H new ATOM 0 HA3BGLY A 20 2.865 -0.129 -8.713 0.50 0.00 H new ATOM 513 N AARG A 21 2.806 0.918 -5.141 0.50 0.00 N ATOM 514 N BARG A 21 2.579 1.288 -5.753 0.50 0.00 N ATOM 515 CA AARG A 21 2.213 0.651 -3.837 0.50 0.00 C ATOM 516 CA BARG A 21 2.032 1.108 -4.414 0.50 0.00 C ATOM 517 C AARG A 21 0.766 1.131 -3.787 0.50 0.00 C ATOM 518 C BARG A 21 0.542 1.439 -4.387 0.50 0.00 C ATOM 519 O AARG A 21 0.488 2.315 -3.977 0.50 0.00 O ATOM 520 O BARG A 21 0.132 2.536 -4.764 0.50 0.00 O ATOM 521 CB AARG A 21 3.026 1.333 -2.734 0.50 0.00 C ATOM 522 CB BARG A 21 2.779 1.990 -3.412 0.50 0.00 C ATOM 523 CG AARG A 21 3.641 0.360 -1.740 0.50 0.00 C ATOM 524 CG BARG A 21 4.052 1.357 -2.873 0.50 0.00 C ATOM 525 CD AARG A 21 4.989 0.855 -1.238 0.50 0.00 C ATOM 526 CD BARG A 21 5.132 2.399 -2.631 0.50 0.00 C ATOM 527 NE AARG A 21 4.861 2.052 -0.414 0.50 0.00 N ATOM 528 NE BARG A 21 4.774 3.318 -1.553 0.50 0.00 N ATOM 529 CZ AARG A 21 5.064 3.283 -0.871 0.50 0.00 C ATOM 530 CZ BARG A 21 4.265 4.528 -1.756 0.50 0.00 C ATOM 531 NH1AARG A 21 5.401 3.477 -2.139 0.50 0.00 N ATOM 532 NH1BARG A 21 4.053 4.961 -2.991 0.50 0.00 N ATOM 533 NH2AARG A 21 4.930 4.324 -0.059 0.50 0.00 N ATOM 534 NH2BARG A 21 3.966 5.305 -0.724 0.50 0.00 N ATOM 0 H AARG A 21 3.030 1.899 -5.310 0.50 0.00 H new ATOM 0 H BARG A 21 3.216 2.079 -5.845 0.50 0.00 H new ATOM 0 HA AARG A 21 2.225 -0.427 -3.675 0.50 0.00 H new ATOM 0 HA BARG A 21 2.160 0.063 -4.134 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.821 1.922 -3.192 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.029 2.937 -3.890 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.382 2.029 -2.197 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.116 2.219 -2.578 0.50 0.00 H new ATOM 0 HG2AARG A 21 2.965 0.224 -0.896 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.834 0.834 -1.942 0.50 0.00 H new ATOM 0 HG3AARG A 21 3.763 -0.615 -2.211 0.50 0.00 H new ATOM 0 HG3BARG A 21 4.416 0.611 -3.579 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.472 0.067 -0.660 0.50 0.00 H new ATOM 0 HD2BARG A 21 6.069 1.900 -2.385 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.636 1.068 -2.089 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.303 2.964 -3.547 0.50 0.00 H new ATOM 0 HE AARG A 21 4.602 1.938 0.566 0.50 0.00 H new ATOM 0 HE BARG A 21 4.923 3.013 -0.591 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.505 2.680 -2.767 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.281 4.365 -3.787 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.556 4.423 -2.486 0.50 0.00 H new ATOM 0 HH12BARG A 21 3.662 5.890 -3.146 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.671 4.180 0.917 0.50 0.00 H new ATOM 0 HH21BARG A 21 4.127 4.974 0.227 0.50 0.00 H new ATOM 0 HH22AARG A 21 5.086 5.269 -0.411 0.50 0.00 H new ATOM 0 HH22BARG A 21 3.575 6.234 -0.881 0.50 0.00 H new ATOM 561 N AVAL A 22 -0.151 0.204 -3.530 0.50 0.00 N ATOM 562 N BVAL A 22 -0.263 0.481 -3.939 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.570 0.534 -3.455 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.706 0.670 -3.862 0.50 0.00 C ATOM 565 C AVAL A 22 -1.873 1.383 -2.226 0.50 0.00 C ATOM 566 C BVAL A 22 -2.141 1.013 -2.442 0.50 0.00 C ATOM 567 O AVAL A 22 -1.447 1.062 -1.117 0.50 0.00 O ATOM 568 O BVAL A 22 -1.578 0.511 -1.470 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.439 -0.737 -3.413 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.463 -0.588 -4.328 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.912 -0.374 -3.304 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.739 -1.512 -3.151 0.50 0.00 C ATOM 573 CG2AVAL A 22 -2.182 -1.598 -4.642 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.756 -0.202 -5.029 0.50 0.00 C ATOM 0 H AVAL A 22 0.063 -0.781 -3.370 0.50 0.00 H new ATOM 0 H BVAL A 22 0.060 -0.434 -3.624 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.811 1.102 -4.354 0.50 0.00 H new ATOM 0 HA BVAL A 22 -1.951 1.500 -4.525 0.50 0.00 H new ATOM 0 HB AVAL A 22 -2.166 -1.314 -2.529 0.50 0.00 H new ATOM 0 HB BVAL A 22 -1.837 -1.125 -5.041 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.510 -1.285 -3.276 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.274 -2.395 -3.500 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -4.079 0.198 -2.392 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.795 -1.815 -2.697 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.204 0.225 -4.167 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.345 -0.988 -2.412 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.804 -2.492 -4.596 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.278 -1.103 -5.352 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.426 -1.031 -5.541 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.390 0.358 -4.341 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -1.132 -1.888 -4.670 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -3.529 0.416 -5.897 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.609 2.468 -2.431 0.50 0.00 N ATOM 594 N BTYR A 23 -3.148 1.874 -2.330 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.968 3.367 -1.339 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.657 2.286 -1.027 0.50 0.00 C ATOM 597 C ATYR A 23 -4.440 3.760 -1.419 0.50 0.00 C ATOM 598 C BTYR A 23 -5.118 2.714 -1.125 0.50 0.00 C ATOM 599 O ATYR A 23 -4.974 3.996 -2.503 0.50 0.00 O ATOM 600 O BTYR A 23 -5.691 2.764 -2.214 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.090 4.621 -1.374 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.814 3.433 -0.466 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.461 5.588 -2.474 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.745 4.636 -1.380 0.50 0.00 C ATOM 605 CD1ATYR A 23 -1.867 5.506 -3.727 0.50 0.00 C ATOM 606 CD1BTYR A 23 -1.811 4.698 -2.409 0.50 0.00 C ATOM 607 CD2ATYR A 23 -3.403 6.588 -2.259 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.609 5.710 -1.216 0.50 0.00 C ATOM 609 CE1ATYR A 23 -2.202 6.389 -4.735 0.50 0.00 C ATOM 610 CE1BTYR A 23 -1.741 5.794 -3.245 0.50 0.00 C ATOM 611 CE2ATYR A 23 -3.744 7.474 -3.262 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.549 6.809 -2.050 0.50 0.00 C ATOM 613 CZ ATYR A 23 -3.142 7.371 -4.498 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.613 6.847 -3.064 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.477 8.254 -5.499 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.548 7.943 -3.895 0.50 0.00 O ATOM 0 H ATYR A 23 -2.970 2.748 -3.343 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.627 2.299 -3.124 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.802 2.841 -0.399 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.591 1.432 -0.352 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.161 5.131 -0.414 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.227 3.740 0.495 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.049 4.322 -1.500 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.803 3.072 -0.278 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -1.131 4.739 -3.916 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -1.129 3.874 -2.556 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -3.876 6.673 -1.292 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -4.341 5.686 -0.422 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -1.731 6.311 -5.704 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.007 5.827 -4.037 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -4.479 8.244 -3.079 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.231 7.635 -1.910 0.50 0.00 H new ATOM 0 HH ATYR A 23 -4.154 8.881 -5.169 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.232 8.594 -3.632 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.089 3.831 -0.263 0.50 0.00 N ATOM 636 N BTYR A 24 -5.715 3.026 0.020 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.501 4.195 -0.200 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.109 3.448 0.066 0.50 0.00 C ATOM 639 C ATYR A 24 -6.673 5.621 0.311 0.50 0.00 C ATOM 640 C BTYR A 24 -7.243 4.814 0.732 0.50 0.00 C ATOM 641 O ATYR A 24 -5.883 6.102 1.124 0.50 0.00 O ATOM 642 O BTYR A 24 -6.870 4.993 1.891 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.259 3.222 0.705 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.953 2.417 0.819 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.027 1.767 0.360 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.966 1.053 0.167 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.353 1.272 -0.896 0.50 0.00 C ATOM 648 CD1BTYR A 24 -8.968 0.702 -0.730 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.485 0.890 1.290 0.50 0.00 C ATOM 650 CD2BTYR A 24 -6.980 0.117 0.447 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.144 -0.056 -1.217 0.50 0.00 C ATOM 652 CE1BTYR A 24 -8.986 -0.545 -1.328 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.270 -0.438 0.979 0.50 0.00 C ATOM 654 CE2BTYR A 24 -6.989 -1.129 -0.149 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.603 -0.907 -0.275 0.50 0.00 C ATOM 656 CZ BTYR A 24 -7.994 -1.455 -1.035 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.394 -2.231 -0.589 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.006 -2.697 -1.629 0.50 0.00 O ATOM 0 H ATYR A 24 -4.661 3.642 0.643 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.254 2.994 0.929 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.911 4.138 -1.208 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.472 3.526 -0.959 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -6.961 3.393 1.739 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.572 2.321 1.836 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.326 3.436 0.641 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.977 2.784 0.895 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.777 1.936 -1.635 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.745 1.415 -0.964 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.227 1.253 2.274 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -6.193 0.367 1.143 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.402 -0.425 -2.198 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.773 -0.804 -2.021 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -5.844 -1.106 1.713 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.213 -1.845 0.078 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.006 -2.693 0.183 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.237 -3.217 -1.316 0.50 0.00 H new ATOM 677 N APHE A 25 -7.712 6.294 -0.173 0.50 0.00 N ATOM 678 N BPHE A 25 -7.779 5.777 -0.012 0.50 0.00 N ATOM 679 CA APHE A 25 -7.991 7.666 0.234 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.962 7.128 0.504 0.50 0.00 C ATOM 681 C APHE A 25 -9.486 7.874 0.458 0.50 0.00 C ATOM 682 C BPHE A 25 -9.427 7.551 0.417 0.50 0.00 C ATOM 683 O APHE A 25 -10.285 7.765 -0.470 0.50 0.00 O ATOM 684 O BPHE A 25 -10.091 7.314 -0.592 0.50 0.00 O ATOM 685 CB APHE A 25 -7.481 8.648 -0.825 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.088 8.117 -0.271 0.50 0.00 C ATOM 687 CG APHE A 25 -6.751 9.826 -0.247 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.370 9.554 0.060 0.50 0.00 C ATOM 689 CD1APHE A 25 -5.599 10.306 -0.850 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.281 10.286 -0.686 0.50 0.00 C ATOM 691 CD2APHE A 25 -7.217 10.455 0.896 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.723 10.175 1.117 0.50 0.00 C ATOM 693 CE1APHE A 25 -4.925 11.390 -0.321 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.542 11.609 -0.383 0.50 0.00 C ATOM 695 CE2APHE A 25 -6.548 11.540 1.429 0.50 0.00 C ATOM 696 CE2BPHE A 25 -6.981 11.498 1.424 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.400 12.008 0.820 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.891 12.216 0.673 0.50 0.00 C ATOM 0 H APHE A 25 -8.375 5.911 -0.848 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.094 5.646 -0.973 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.471 7.853 1.174 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.662 7.132 1.552 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.817 8.120 -1.510 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.040 7.904 -0.063 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.326 9.007 -1.413 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.238 7.962 -1.339 0.50 0.00 H new ATOM 0 HD1APHE A 25 -5.224 9.828 -1.743 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -8.793 9.817 -1.513 0.50 0.00 H new ATOM 0 HD2APHE A 25 -8.114 10.093 1.376 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -6.009 9.619 1.707 0.50 0.00 H new ATOM 0 HE1APHE A 25 -4.028 11.754 -0.799 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -9.255 12.168 -0.972 0.50 0.00 H new ATOM 0 HE2APHE A 25 -6.922 12.021 2.320 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.471 11.970 2.251 0.50 0.00 H new ATOM 0 HZ APHE A 25 -4.875 12.855 1.235 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -8.093 13.250 0.911 0.50 0.00 H new ATOM 717 N AASN A 26 -9.856 8.175 1.699 0.50 0.00 N ATOM 718 N BASN A 26 -9.921 8.175 1.481 0.50 0.00 N ATOM 719 CA AASN A 26 -11.254 8.399 2.047 0.50 0.00 C ATOM 720 CA BASN A 26 -11.306 8.628 1.525 0.50 0.00 C ATOM 721 C AASN A 26 -11.627 9.869 1.885 0.50 0.00 C ATOM 722 C BASN A 26 -11.379 10.133 1.763 0.50 0.00 C ATOM 723 O AASN A 26 -11.041 10.744 2.523 0.50 0.00 O ATOM 724 O BASN A 26 -10.554 10.699 2.484 0.50 0.00 O ATOM 725 CB AASN A 26 -11.519 7.949 3.486 0.50 0.00 C ATOM 726 CB BASN A 26 -12.071 7.889 2.624 0.50 0.00 C ATOM 727 CG AASN A 26 -13.002 7.855 3.796 0.50 0.00 C ATOM 728 CG BASN A 26 -13.476 8.427 2.814 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.836 8.410 3.079 0.50 0.00 O ATOM 730 OD1BASN A 26 -13.897 8.716 3.934 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.337 7.149 4.870 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.209 8.564 1.715 0.50 0.00 N ATOM 0 H AASN A 26 -9.207 8.269 2.480 0.50 0.00 H new ATOM 0 H BASN A 26 -9.383 8.378 2.324 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.871 7.810 1.368 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.765 8.408 0.561 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.053 6.978 3.652 0.50 0.00 H new ATOM 0 HB2BASN A 26 -12.122 6.829 2.377 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.050 8.650 4.176 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.523 7.972 3.563 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.318 7.050 5.129 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.162 8.921 1.779 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.613 6.706 5.435 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.819 8.312 0.807 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.607 10.133 1.027 0.50 0.00 N ATOM 746 N BHIS A 27 -12.370 10.777 1.156 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.060 11.498 0.781 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.550 12.217 1.304 0.50 0.00 C ATOM 749 C AHIS A 27 -13.965 11.982 1.910 0.50 0.00 C ATOM 750 C BHIS A 27 -13.322 12.539 2.580 0.50 0.00 C ATOM 751 O AHIS A 27 -14.344 13.153 1.957 0.50 0.00 O ATOM 752 O BHIS A 27 -13.176 13.622 3.147 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.802 11.579 -0.554 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.287 12.786 0.091 0.50 0.00 C ATOM 755 CG AHIS A 27 -15.064 10.773 -0.588 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.550 12.052 -0.243 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.197 11.117 0.118 0.50 0.00 N ATOM 758 ND1BHIS A 27 -14.563 10.824 -0.871 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.368 9.631 -1.248 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.846 12.378 -0.029 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.143 10.224 -0.106 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.813 10.428 -1.031 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.666 9.309 -0.932 0.50 0.00 N ATOM 764 NE2BHIS A 27 -16.610 11.352 -0.529 0.50 0.00 N ATOM 0 H AHIS A 27 -13.103 9.421 0.491 0.50 0.00 H new ATOM 0 H BHIS A 27 -13.061 10.325 0.557 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.183 12.144 0.740 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.564 12.678 1.371 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -14.041 12.621 -0.765 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.524 13.833 0.279 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.140 11.236 -1.349 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.622 12.760 -0.773 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -16.290 11.935 0.720 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.712 9.076 -1.902 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -16.211 13.277 0.446 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.138 10.239 0.314 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -16.129 9.505 -1.494 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -17.629 11.311 -0.515 0.50 0.00 H new ATOM 779 N AILE A 28 -14.308 11.073 2.817 0.50 0.00 N ATOM 780 N BILE A 28 -14.144 11.594 3.025 0.50 0.00 N ATOM 781 CA AILE A 28 -15.169 11.408 3.946 0.50 0.00 C ATOM 782 CA BILE A 28 -14.936 11.778 4.233 0.50 0.00 C ATOM 783 C AILE A 28 -14.345 11.758 5.181 0.50 0.00 C ATOM 784 C BILE A 28 -14.080 11.615 5.483 0.50 0.00 C ATOM 785 O AILE A 28 -14.581 12.775 5.831 0.50 0.00 O ATOM 786 O BILE A 28 -14.381 12.178 6.537 0.50 0.00 O ATOM 787 CB AILE A 28 -16.124 10.249 4.289 0.50 0.00 C ATOM 788 CB BILE A 28 -16.110 10.782 4.294 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.957 9.867 3.066 0.50 0.00 C ATOM 790 CG1BILE A 28 -17.115 11.076 3.177 0.50 0.00 C ATOM 791 CG2AILE A 28 -17.024 10.633 5.454 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.788 10.846 5.654 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.197 9.069 3.406 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.329 10.174 3.206 0.50 0.00 C ATOM 0 H AILE A 28 -14.003 10.100 2.793 0.50 0.00 H new ATOM 0 H BILE A 28 -14.278 10.693 2.566 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.758 12.276 3.648 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.332 12.793 4.198 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.531 9.383 4.584 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.721 9.774 4.151 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.252 10.775 2.539 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.441 12.113 3.256 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.338 9.287 2.381 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.617 10.971 2.213 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.693 9.804 5.685 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.615 10.137 5.682 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.412 10.860 6.327 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.067 10.594 6.432 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.612 11.511 5.186 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.168 11.853 5.824 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.740 8.833 2.491 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.998 10.438 2.387 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.909 8.144 3.906 0.50 0.00 H new ATOM 0 HD12BILE A 28 -18.014 9.136 3.097 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.837 9.654 4.066 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.851 10.297 4.155 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.374 10.904 5.498 0.50 0.00 N ATOM 818 N BTHR A 29 -13.008 10.837 5.362 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.514 11.122 6.655 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.105 10.600 6.481 0.50 0.00 C ATOM 821 C ATHR A 29 -11.171 11.709 6.237 0.50 0.00 C ATOM 822 C BTHR A 29 -10.968 11.614 6.498 0.50 0.00 C ATOM 823 O ATHR A 29 -10.281 11.901 7.066 0.50 0.00 O ATOM 824 O BTHR A 29 -10.444 11.955 7.556 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.272 9.813 7.428 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.511 9.179 6.431 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.659 8.843 6.571 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.668 9.042 5.280 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.580 9.260 7.976 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.612 8.131 6.386 0.50 0.00 C ATOM 0 H ATHR A 29 -13.165 10.057 4.970 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.745 10.360 4.500 0.50 0.00 H new ATOM 0 HA ATHR A 29 -13.030 11.829 7.305 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.695 10.708 7.391 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.607 10.028 8.265 0.50 0.00 H new ATOM 0 HB BTHR A 29 -10.922 9.024 7.335 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.507 8.014 7.071 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.282 8.142 5.263 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.385 8.335 8.518 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.167 7.137 6.351 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.029 9.989 8.651 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.235 8.219 7.276 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.264 9.060 7.151 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.225 8.285 5.498 0.50 0.00 H new ATOM 845 N AASN A 30 -11.029 11.993 4.946 0.50 0.00 N ATOM 846 N BASN A 30 -10.593 12.093 5.316 0.50 0.00 N ATOM 847 CA AASN A 30 -9.793 12.557 4.418 0.50 0.00 C ATOM 848 CA BASN A 30 -9.517 13.071 5.195 0.50 0.00 C ATOM 849 C AASN A 30 -8.578 11.799 4.950 0.50 0.00 C ATOM 850 C BASN A 30 -8.180 12.460 5.603 0.50 0.00 C ATOM 851 O AASN A 30 -7.497 12.368 5.100 0.50 0.00 O ATOM 852 O BASN A 30 -7.351 13.120 6.230 0.50 0.00 O ATOM 853 CB AASN A 30 -9.685 14.037 4.788 0.50 0.00 C ATOM 854 CB BASN A 30 -9.814 14.298 6.058 0.50 0.00 C ATOM 855 CG AASN A 30 -11.041 14.714 4.860 0.50 0.00 C ATOM 856 CG BASN A 30 -9.499 15.598 5.344 0.50 0.00 C ATOM 857 OD1AASN A 30 -11.356 15.394 5.838 0.50 0.00 O ATOM 858 OD1BASN A 30 -10.284 16.546 5.383 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.850 14.531 3.824 0.50 0.00 N ATOM 860 ND2BASN A 30 -8.346 15.647 4.689 0.50 0.00 N ATOM 0 H AASN A 30 -11.756 11.841 4.246 0.50 0.00 H new ATOM 0 H BASN A 30 -11.017 11.820 4.429 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.813 12.461 3.332 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.454 13.377 4.151 0.50 0.00 H new ATOM 0 HB2AASN A 30 -9.182 14.133 5.750 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.865 14.290 6.346 0.50 0.00 H new ATOM 0 HB3AASN A 30 -9.065 14.549 4.052 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.231 14.241 6.978 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.775 14.962 3.817 0.50 0.00 H new ATOM 0 HD21BASN A 30 -8.079 16.495 4.190 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.547 13.960 3.035 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.727 14.836 4.685 0.50 0.00 H new ATOM 873 N AALA A 31 -8.767 10.515 5.234 0.50 0.00 N ATOM 874 N BALA A 31 -7.976 11.198 5.242 0.50 0.00 N ATOM 875 CA AALA A 31 -7.688 9.680 5.746 0.50 0.00 C ATOM 876 CA BALA A 31 -6.739 10.499 5.566 0.50 0.00 C ATOM 877 C AALA A 31 -7.084 8.822 4.639 0.50 0.00 C ATOM 878 C BALA A 31 -6.538 9.288 4.663 0.50 0.00 C ATOM 879 O AALA A 31 -7.763 8.469 3.675 0.50 0.00 O ATOM 880 O BALA A 31 -7.503 8.666 4.221 0.50 0.00 O ATOM 881 CB AALA A 31 -8.194 8.802 6.879 0.50 0.00 C ATOM 882 CB BALA A 31 -6.742 10.075 7.029 0.50 0.00 C ATOM 0 H AALA A 31 -9.657 10.030 5.118 0.50 0.00 H new ATOM 0 H BALA A 31 -8.653 10.638 4.724 0.50 0.00 H new ATOM 0 HA AALA A 31 -6.906 10.335 6.129 0.50 0.00 H new ATOM 0 HA BALA A 31 -5.908 11.185 5.398 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.378 8.183 7.252 0.50 0.00 H new ATOM 0 HB1BALA A 31 -5.813 9.554 7.259 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.571 9.430 7.686 0.50 0.00 H new ATOM 0 HB2BALA A 31 -6.830 10.957 7.663 0.50 0.00 H new ATOM 0 HB3AALA A 31 -8.996 8.162 6.513 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.586 9.410 7.213 0.50 0.00 H new ATOM 893 N ASER A 32 -5.804 8.491 4.782 0.50 0.00 N ATOM 894 N BSER A 32 -5.279 8.959 4.393 0.50 0.00 N ATOM 895 CA ASER A 32 -5.108 7.679 3.791 0.50 0.00 C ATOM 896 CA BSER A 32 -4.952 7.824 3.537 0.50 0.00 C ATOM 897 C ASER A 32 -4.226 6.635 4.468 0.50 0.00 C ATOM 898 C BSER A 32 -4.391 6.668 4.360 0.50 0.00 C ATOM 899 O ASER A 32 -3.570 6.917 5.469 0.50 0.00 O ATOM 900 O BSER A 32 -3.885 6.867 5.463 0.50 0.00 O ATOM 901 CB ASER A 32 -4.258 8.567 2.879 0.50 0.00 C ATOM 902 CB BSER A 32 -3.942 8.241 2.466 0.50 0.00 C ATOM 903 OG ASER A 32 -2.964 8.764 3.420 0.50 0.00 O ATOM 904 OG BSER A 32 -3.383 9.511 2.757 0.50 0.00 O ATOM 0 H ASER A 32 -5.228 8.773 5.575 0.50 0.00 H new ATOM 0 H BSER A 32 -4.469 9.462 4.754 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.856 7.163 3.189 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.869 7.490 3.051 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.177 8.109 1.893 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.148 7.497 2.402 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.749 9.530 2.744 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.431 8.270 1.492 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.441 9.333 2.818 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.740 9.753 2.058 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.217 5.428 3.911 0.50 0.00 N ATOM 916 N BGLN A 33 -4.484 5.461 3.812 0.50 0.00 N ATOM 917 CA AGLN A 33 -3.417 4.340 4.462 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.986 4.273 4.495 0.50 0.00 C ATOM 919 C AGLN A 33 -3.283 3.201 3.457 0.50 0.00 C ATOM 920 C BGLN A 33 -3.593 3.194 3.493 0.50 0.00 C ATOM 921 O AGLN A 33 -4.039 3.122 2.487 0.50 0.00 O ATOM 922 O BGLN A 33 -4.210 3.059 2.435 0.50 0.00 O ATOM 923 CB AGLN A 33 -4.043 3.822 5.758 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.044 3.731 5.456 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.288 2.978 5.537 0.50 0.00 C ATOM 926 CG BGLN A 33 -4.522 3.484 6.862 0.50 0.00 C ATOM 927 CD AGLN A 33 -5.863 2.435 6.830 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.634 3.321 7.879 0.50 0.00 C ATOM 929 OE1AGLN A 33 -5.192 2.419 7.863 0.50 0.00 O ATOM 930 OE1BGLN A 33 -5.705 4.057 8.863 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.111 1.985 6.782 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.509 2.351 7.649 0.50 0.00 N ATOM 0 H AGLN A 33 -4.754 5.179 3.080 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.899 5.280 2.898 0.50 0.00 H new ATOM 0 HA AGLN A 33 -2.422 4.729 4.679 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.100 4.556 5.063 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -3.304 3.230 6.298 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -5.874 4.436 5.505 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -4.297 4.670 6.393 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -5.442 2.798 5.056 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -6.044 3.579 5.032 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -3.901 2.588 6.862 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -5.046 2.147 4.874 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -3.883 4.315 7.159 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.631 2.017 5.905 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.413 1.764 6.821 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -7.550 1.607 7.622 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.278 2.192 8.301 0.50 0.00 H new ATOM 949 N APHE A 34 -2.318 2.319 3.695 0.50 0.00 N ATOM 950 N BPHE A 34 -2.562 2.427 3.830 0.50 0.00 N ATOM 951 CA APHE A 34 -2.086 1.183 2.810 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.084 1.360 2.959 0.50 0.00 C ATOM 953 C APHE A 34 -2.563 -0.115 3.454 0.50 0.00 C ATOM 954 C BPHE A 34 -2.967 0.119 3.083 0.50 0.00 C ATOM 955 O APHE A 34 -1.816 -1.088 3.539 0.50 0.00 O ATOM 956 O BPHE A 34 -3.231 -0.567 2.097 0.50 0.00 O ATOM 957 CB APHE A 34 -0.598 1.076 2.463 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.635 1.004 3.298 0.50 0.00 C ATOM 959 CG APHE A 34 0.109 2.402 2.438 0.50 0.00 C ATOM 960 CG BPHE A 34 0.353 2.050 2.871 0.50 0.00 C ATOM 961 CD1APHE A 34 -0.365 3.438 1.648 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.629 2.254 1.528 0.50 0.00 C ATOM 963 CD2APHE A 34 1.244 2.612 3.203 0.50 0.00 C ATOM 964 CD2BPHE A 34 1.008 2.828 3.812 0.50 0.00 C ATOM 965 CE1APHE A 34 0.283 4.659 1.622 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.540 3.216 1.133 0.50 0.00 C ATOM 967 CE2APHE A 34 1.895 3.831 3.182 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.918 3.792 3.421 0.50 0.00 C ATOM 969 CZ APHE A 34 1.415 4.856 2.389 0.50 0.00 C ATOM 970 CZ BPHE A 34 2.185 3.986 2.080 0.50 0.00 C ATOM 0 H APHE A 34 -1.684 2.369 4.493 0.50 0.00 H new ATOM 0 H BPHE A 34 -2.041 2.525 4.701 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.656 1.345 1.895 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.131 1.718 1.930 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.110 0.427 3.189 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.549 0.851 4.374 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.494 0.599 1.488 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.380 0.058 2.820 0.50 0.00 H new ATOM 0 HD1APHE A 34 -1.250 3.290 1.047 0.50 0.00 H new ATOM 0 HD1BPHE A 34 0.127 1.655 0.782 0.50 0.00 H new ATOM 0 HD2APHE A 34 1.625 1.814 3.823 0.50 0.00 H new ATOM 0 HD2BPHE A 34 0.805 2.680 4.862 0.50 0.00 H new ATOM 0 HE1APHE A 34 -0.096 5.458 1.002 0.50 0.00 H new ATOM 0 HE1BPHE A 34 1.747 3.365 0.084 0.50 0.00 H new ATOM 0 HE2APHE A 34 2.778 3.982 3.785 0.50 0.00 H new ATOM 0 HE2BPHE A 34 2.420 4.394 4.164 0.50 0.00 H new ATOM 0 HZ APHE A 34 1.924 5.809 2.369 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.897 4.738 1.773 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.814 -0.120 3.902 0.50 0.00 N ATOM 990 N BGLU A 35 -3.418 -0.159 4.302 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.392 -1.298 4.538 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.268 -1.315 4.557 0.50 0.00 C ATOM 993 C AGLU A 35 -5.885 -1.403 4.235 0.50 0.00 C ATOM 994 C BGLU A 35 -5.724 -1.002 4.223 0.50 0.00 C ATOM 995 O AGLU A 35 -6.596 -0.399 4.211 0.50 0.00 O ATOM 996 O BGLU A 35 -6.084 0.148 3.983 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.172 -1.247 6.051 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.151 -1.752 6.019 0.50 0.00 C ATOM 999 CG AGLU A 35 -2.897 -1.939 6.503 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.718 -1.827 6.518 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.667 -1.065 6.335 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.356 -0.669 7.428 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -1.813 0.174 6.374 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -1.648 -0.902 8.430 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -0.563 -1.621 6.166 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -2.777 0.469 7.137 0.50 0.00 O ATOM 0 H AGLU A 35 -4.446 0.678 3.837 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.209 0.401 5.128 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.893 -2.179 4.134 0.50 0.00 H new ATOM 0 HA BGLU A 35 -3.932 -2.129 3.915 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.143 -0.205 6.371 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.709 -1.054 6.644 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.023 -1.710 6.550 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.619 -2.729 6.136 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -2.995 -2.225 7.550 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.572 -2.765 7.054 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.765 -2.859 5.933 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.040 -1.839 5.665 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.350 -2.626 4.001 0.50 0.00 N ATOM 1020 N BARG A 36 -6.557 -2.039 4.208 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.756 -2.864 3.698 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.973 -1.878 3.901 0.50 0.00 C ATOM 1023 C AARG A 36 -8.655 -2.199 4.734 0.50 0.00 C ATOM 1024 C BARG A 36 -8.780 -1.636 5.173 0.50 0.00 C ATOM 1025 O AARG A 36 -8.743 -2.629 5.885 0.50 0.00 O ATOM 1026 O BARG A 36 -8.960 -2.527 6.003 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.041 -4.367 3.647 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.504 -3.116 3.176 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.391 -4.709 3.039 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.923 -2.955 2.657 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.313 -4.806 1.524 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.704 -4.255 2.759 0.50 0.00 C ATOM 1033 NE AARG A 36 -10.560 -5.293 0.941 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.097 -5.322 1.969 0.50 0.00 N ATOM 1035 CZ AARG A 36 -10.962 -6.558 1.016 0.50 0.00 C ATOM 1036 CZ BARG A 36 -10.604 -6.547 1.875 0.50 0.00 C ATOM 1037 NH1AARG A 36 -10.216 -7.458 1.646 0.50 0.00 N ATOM 1038 NH1BARG A 36 -11.721 -6.857 2.518 0.50 0.00 N ATOM 1039 NH2AARG A 36 -12.110 -6.925 0.460 0.50 0.00 N ATOM 1040 NH2BARG A 36 -9.993 -7.463 1.135 0.50 0.00 N ATOM 0 H AARG A 36 -5.773 -3.467 4.015 0.50 0.00 H new ATOM 0 H BARG A 36 -6.275 -2.999 4.405 0.50 0.00 H new ATOM 0 HA AARG A 36 -7.971 -2.427 2.723 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.082 -1.010 3.251 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.257 -4.858 3.070 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.844 -3.348 2.340 0.50 0.00 H new ATOM 0 HB3AARG A 36 -7.994 -4.772 4.658 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.469 -3.968 3.855 0.50 0.00 H new ATOM 0 HG2AARG A 36 -9.745 -5.656 3.447 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.433 -2.177 3.225 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.120 -3.948 3.319 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.897 -2.626 1.618 0.50 0.00 H new ATOM 0 HD2AARG A 36 -9.078 -3.826 1.110 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.759 -4.564 3.803 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.498 -5.474 1.245 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.727 -4.091 2.421 0.50 0.00 H new ATOM 0 HE AARG A 36 -11.155 -4.626 0.449 0.50 0.00 H new ATOM 0 HE BARG A 36 -9.237 -5.116 1.461 0.50 0.00 H new ATOM 0 HH11AARG A 36 -9.333 -7.179 2.073 0.50 0.00 H new ATOM 0 HH11BARG A 36 -12.194 -6.155 3.087 0.50 0.00 H new ATOM 0 HH12AARG A 36 -10.526 -8.428 1.702 0.50 0.00 H new ATOM 0 HH12BARG A 36 -12.108 -7.798 2.444 0.50 0.00 H new ATOM 0 HH21AARG A 36 -12.685 -6.236 -0.025 0.50 0.00 H new ATOM 0 HH21BARG A 36 -9.134 -7.227 0.638 0.50 0.00 H new ATOM 0 HH22AARG A 36 -12.417 -7.896 0.518 0.50 0.00 H new ATOM 0 HH22BARG A 36 -10.382 -8.403 1.063 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.345 -1.125 4.319 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.278 -0.400 5.331 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.251 -0.378 5.196 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.074 -0.012 6.499 0.50 0.00 C ATOM 1071 C APRO A 37 -11.506 -1.171 5.543 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.448 -0.673 6.511 0.50 0.00 C ATOM 1073 O APRO A 37 -12.138 -1.765 4.668 0.50 0.00 O ATOM 1074 O BPRO A 37 -11.963 -1.075 5.468 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.610 0.856 4.367 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.211 1.506 6.346 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.425 0.428 2.952 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.066 1.753 4.884 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.291 -0.558 2.961 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.103 0.711 4.382 0.50 0.00 C ATOM 0 HA APRO A 37 -9.789 -0.144 6.155 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.604 -0.320 7.433 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.636 1.174 4.554 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.176 1.856 6.713 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.965 1.700 4.613 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.444 2.032 6.915 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.335 -0.027 2.560 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.028 1.672 4.377 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.195 1.281 2.313 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -9.689 2.758 4.693 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.420 -1.327 2.199 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.335 0.408 3.361 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.335 -0.073 2.765 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.077 1.080 4.380 0.50 0.00 H new ATOM 1095 N ASER A 38 -11.862 -1.177 6.822 0.50 0.00 N ATOM 1096 N BSER A 38 -12.037 -0.782 7.698 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.042 -1.900 7.284 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.350 -1.399 7.845 0.50 0.00 C ATOM 1099 C ASER A 38 -14.319 -1.212 6.812 0.50 0.00 C ATOM 1100 C BSER A 38 -14.400 -0.356 8.214 0.50 0.00 C ATOM 1101 O ASER A 38 -15.004 -1.700 5.914 0.50 0.00 O ATOM 1102 O BSER A 38 -14.072 0.771 8.582 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.037 -2.001 8.811 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.306 -2.495 8.912 0.50 0.00 C ATOM 1105 OG ASER A 38 -12.985 -0.716 9.409 0.50 0.00 O ATOM 1106 OG BSER A 38 -14.465 -3.308 8.854 0.50 0.00 O ATOM 0 H ASER A 38 -11.351 -0.690 7.558 0.50 0.00 H new ATOM 0 H BSER A 38 -11.626 -0.451 8.571 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.013 -2.904 6.860 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.625 -1.845 6.889 0.50 0.00 H new ATOM 0 HB2ASER A 38 -13.932 -2.525 9.146 0.50 0.00 H new ATOM 0 HB2BSER A 38 -12.418 -3.111 8.769 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.181 -2.592 9.136 0.50 0.00 H new ATOM 0 HB3BSER A 38 -13.224 -2.042 9.900 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.827 -0.539 9.878 0.50 0.00 H new ATOM 0 HG BSER A 38 -14.413 -4.002 9.544 0.50 0.00 H new ATOM 1117 N AGLY A 39 -14.636 -0.077 7.426 0.50 0.00 N ATOM 1118 N BGLY A 39 -15.669 -0.741 8.115 0.50 0.00 N ATOM 1119 CA AGLY A 39 -15.830 0.660 7.056 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.751 0.171 8.441 0.50 0.00 C ATOM 1121 C AGLY A 39 -16.940 0.514 8.077 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.601 0.774 9.823 0.50 0.00 C ATOM 1123 O AGLY A 39 -16.733 -0.138 9.099 0.50 0.00 O ATOM 1124 O BGLY A 39 -16.366 1.975 9.961 0.50 0.00 O ATOM 0 H AGLY A 39 -14.087 0.346 8.174 0.50 0.00 H new ATOM 0 H BGLY A 39 -15.967 -1.669 7.815 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -15.581 1.715 6.942 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -16.785 0.970 7.700 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.184 0.310 6.086 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -17.701 -0.360 8.380 0.50 0.00 H new