USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN A: amide:sc= 0.43 K(o=0.95,f=-6.8!) USER MOD Set 1.2: A 29 THR OG1A: rot -72:sc= 1.1 USER MOD Set 1.3: A 29 THR OG1B: rot -168:sc= -0.586 USER MOD Set 2.1: A 13 LYS NZ A:NH3+ -156:sc= 0.0139 (180deg=0) USER MOD Set 2.2: A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 5 SER OG A: rot 15:sc= 0.784 USER MOD Single : A 5 SER OG B: rot 180:sc= -0.101 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+ 143:sc= -0.51 (180deg=-2.26!) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0 USER MOD Single : A 18 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 19 SER OG A: rot -140:sc= -0.227 USER MOD Single : A 19 SER OG B: rot -70:sc= 0.474 USER MOD Single : A 23 TYR OH A: rot 180:sc=-0.00676 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 26 ASN B: amide:sc= -1.44 K(o=-1.4,f=-14!) USER MOD Single : A 27 HIS A: no HE2:sc= -0.996 K(o=-1,f=-2.1!) USER MOD Single : A 27 HIS B: no HD1:sc= -1.64 K(o=-1.6,f=-3.4) USER MOD Single : A 30 ASN A: amide:sc= -0.167 X(o=-0.17,f=-0.037) USER MOD Single : A 30 ASN B: amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.0334 USER MOD Single : A 32 SER OG B: rot 180:sc= 0.0345 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 33 GLN B: amide:sc= -0.733 X(o=-0.73,f=-0.87) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.126 USER MOD Single : A 38 SER OG B: rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -9.787 -3.863 -6.022 0.50 0.00 N ATOM 2 N BSER A 5 -10.751 -3.124 -6.292 0.50 0.00 N ATOM 3 CA ASER A 5 -10.938 -3.406 -6.793 0.50 0.00 C ATOM 4 CA BSER A 5 -11.836 -4.081 -6.115 0.50 0.00 C ATOM 5 C ASER A 5 -12.240 -3.741 -6.071 0.50 0.00 C ATOM 6 C BSER A 5 -11.987 -4.464 -4.644 0.50 0.00 C ATOM 7 O ASER A 5 -13.252 -4.046 -6.703 0.50 0.00 O ATOM 8 O BSER A 5 -10.998 -4.627 -3.928 0.50 0.00 O ATOM 9 CB ASER A 5 -10.932 -4.043 -8.183 0.50 0.00 C ATOM 10 CB BSER A 5 -11.582 -5.334 -6.954 0.50 0.00 C ATOM 11 OG ASER A 5 -9.638 -4.505 -8.529 0.50 0.00 O ATOM 12 OG BSER A 5 -11.107 -6.401 -6.152 0.50 0.00 O ATOM 0 HA ASER A 5 -10.869 -2.323 -6.899 0.50 0.00 H new ATOM 0 HA BSER A 5 -12.761 -3.610 -6.449 0.50 0.00 H new ATOM 0 HB2ASER A 5 -11.637 -4.874 -8.208 0.50 0.00 H new ATOM 0 HB2BSER A 5 -12.504 -5.633 -7.453 0.50 0.00 H new ATOM 0 HB3ASER A 5 -11.271 -3.316 -8.921 0.50 0.00 H new ATOM 0 HB3BSER A 5 -10.855 -5.111 -7.735 0.50 0.00 H new ATOM 0 HG ASER A 5 -9.079 -4.544 -7.725 0.50 0.00 H new ATOM 0 HG BSER A 5 -10.954 -7.190 -6.714 0.50 0.00 H new ATOM 23 N ALYS A 6 -12.208 -3.682 -4.745 0.50 0.00 N ATOM 24 N BLYS A 6 -13.232 -4.607 -4.201 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.384 -3.976 -3.935 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.516 -4.972 -2.818 0.50 0.00 C ATOM 27 C ALYS A 6 -13.342 -3.212 -2.616 0.50 0.00 C ATOM 28 C BLYS A 6 -12.981 -3.916 -1.857 0.50 0.00 C ATOM 29 O ALYS A 6 -12.858 -3.723 -1.606 0.50 0.00 O ATOM 30 O BLYS A 6 -11.784 -3.868 -1.572 0.50 0.00 O ATOM 31 CB ALYS A 6 -13.478 -5.480 -3.663 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.896 -6.333 -2.491 0.50 0.00 C ATOM 33 CG ALYS A 6 -13.497 -6.325 -4.925 0.50 0.00 C ATOM 34 CG BLYS A 6 -13.133 -7.382 -3.563 0.50 0.00 C ATOM 35 CD ALYS A 6 -13.571 -7.808 -4.600 0.50 0.00 C ATOM 36 CD BLYS A 6 -13.367 -8.757 -2.958 0.50 0.00 C ATOM 37 CE ALYS A 6 -14.976 -8.354 -4.811 0.50 0.00 C ATOM 38 CE BLYS A 6 -14.481 -9.501 -3.677 0.50 0.00 C ATOM 39 NZ ALYS A 6 -15.035 -9.303 -5.957 0.50 0.00 N ATOM 40 NZ BLYS A 6 -13.946 -10.451 -4.692 0.50 0.00 N ATOM 0 H ALYS A 6 -11.378 -3.433 -4.207 0.50 0.00 H new ATOM 0 H BLYS A 6 -14.061 -4.475 -4.781 0.50 0.00 H new ATOM 0 HA ALYS A 6 -14.266 -3.657 -4.491 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.598 -5.033 -2.699 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -12.632 -5.783 -3.045 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -11.823 -6.209 -2.347 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -14.381 -5.681 -3.087 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.305 -6.692 -1.547 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -14.351 -6.043 -5.540 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -13.995 -7.098 -4.167 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.601 -6.124 -5.512 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -12.274 -7.420 -4.232 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -12.868 -8.355 -5.229 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -12.447 -9.339 -3.009 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -13.267 -7.971 -3.566 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -13.620 -8.653 -1.903 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -15.310 -8.858 -3.904 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -15.082 -10.047 -2.950 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -15.664 -7.527 -4.988 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -15.142 -8.784 -4.163 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -16.008 -9.653 -6.068 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -14.736 -10.939 -5.161 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -14.741 -8.815 -6.827 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -13.393 -9.927 -5.400 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -14.397 -10.105 -5.777 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -13.335 -11.151 -4.224 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.853 -1.987 -2.632 0.50 0.00 N ATOM 68 N BLEU A 7 -13.877 -3.067 -1.361 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.876 -1.151 -1.435 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.496 -2.012 -0.429 0.50 0.00 C ATOM 71 C ALEU A 7 -15.306 -0.780 -1.057 0.50 0.00 C ATOM 72 C BLEU A 7 -14.726 -1.278 0.095 0.50 0.00 C ATOM 73 O ALEU A 7 -16.217 -0.792 -1.886 0.50 0.00 O ATOM 74 O BLEU A 7 -15.785 -1.261 -0.534 0.50 0.00 O ATOM 75 CB ALEU A 7 -13.051 0.117 -1.659 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.550 -1.021 -1.110 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.547 -0.009 -1.414 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.179 -0.099 -2.154 0.50 0.00 C ATOM 79 CD1ALEU A 7 -11.001 -1.260 -2.084 0.50 0.00 C ATOM 80 CD1BLEU A 7 -13.109 1.349 -1.700 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.817 1.228 -1.918 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.493 -0.270 -3.501 0.50 0.00 C ATOM 0 H ALEU A 7 -14.257 -1.549 -3.460 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.871 -3.090 -1.589 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.439 -1.722 -0.615 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.984 -2.474 0.415 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.205 0.450 -2.685 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.089 -0.403 -0.340 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.441 0.900 -1.008 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.749 -1.585 -1.588 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.380 -0.092 -0.340 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.228 -0.373 -2.265 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.929 -1.333 -1.899 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.562 1.990 -2.457 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.501 -2.139 -1.676 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.648 1.462 -0.759 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -11.181 -1.206 -3.158 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -12.067 1.636 -1.558 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.748 1.120 -1.735 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.955 0.395 -4.231 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.992 1.343 -2.988 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.435 -0.025 -3.404 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.188 2.108 -1.393 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.597 -1.303 -3.834 0.50 0.00 H new ATOM 105 N APRO A 8 -15.510 -0.440 0.224 0.50 0.00 N ATOM 106 N BPRO A 8 -14.587 -0.655 1.275 0.50 0.00 N ATOM 107 CA APRO A 8 -16.827 -0.058 0.742 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.675 0.094 1.908 0.50 0.00 C ATOM 109 C APRO A 8 -17.290 1.296 0.208 0.50 0.00 C ATOM 110 C BPRO A 8 -16.008 1.379 1.157 0.50 0.00 C ATOM 111 O APRO A 8 -16.544 2.012 -0.460 0.50 0.00 O ATOM 112 O BPRO A 8 -15.205 1.901 0.382 0.50 0.00 O ATOM 113 CB APRO A 8 -16.608 0.012 2.255 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.123 0.416 3.298 0.50 0.00 C ATOM 115 CG APRO A 8 -15.154 0.289 2.415 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.643 0.402 3.130 0.50 0.00 C ATOM 117 CD APRO A 8 -14.472 -0.405 1.267 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.354 -0.633 2.079 0.50 0.00 C ATOM 0 HA APRO A 8 -17.602 -0.763 0.442 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.605 -0.475 1.925 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.213 0.798 2.707 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.473 1.387 3.648 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.888 -0.923 2.739 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.445 -0.322 4.033 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.956 1.361 2.396 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.276 1.382 2.824 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.788 -0.086 3.371 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.146 0.154 4.068 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.588 0.140 0.936 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.486 -0.363 1.477 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.144 -1.408 1.541 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.145 -1.607 2.521 0.50 0.00 H new ATOM 133 N APRO A 9 -18.546 1.653 0.508 0.50 0.00 N ATOM 134 N BPRO A 9 -17.221 1.904 1.389 0.50 0.00 N ATOM 135 CA APRO A 9 -19.133 2.922 0.069 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.687 3.135 0.747 0.50 0.00 C ATOM 137 C APRO A 9 -18.518 4.122 0.779 0.50 0.00 C ATOM 138 C BPRO A 9 -16.948 4.370 1.250 0.50 0.00 C ATOM 139 O APRO A 9 -18.655 4.277 1.992 0.50 0.00 O ATOM 140 O BPRO A 9 -16.554 4.436 2.414 0.50 0.00 O ATOM 141 CB APRO A 9 -20.611 2.778 0.445 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.165 3.201 1.135 0.50 0.00 C ATOM 143 CG APRO A 9 -20.622 1.801 1.570 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.259 2.429 2.404 0.50 0.00 C ATOM 145 CD APRO A 9 -19.491 0.847 1.300 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.230 1.336 2.300 0.50 0.00 C ATOM 0 HA APRO A 9 -18.964 3.103 -0.993 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.515 3.122 -0.329 0.50 0.00 H new ATOM 0 HB2APRO A 9 -21.038 3.734 0.747 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.492 4.231 1.274 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.201 2.418 -0.398 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.797 2.767 0.360 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.487 2.306 2.527 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.064 3.068 3.265 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.574 1.273 1.620 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.258 2.013 2.535 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.038 0.489 2.224 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.802 1.093 3.273 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.829 -0.031 0.750 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.659 0.417 1.902 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.838 4.973 0.014 0.50 0.00 N ATOM 162 N BGLY A 10 -16.763 5.347 0.367 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.211 6.150 0.587 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.072 6.566 0.743 0.50 0.00 C ATOM 165 C AGLY A 10 -15.710 6.168 0.376 0.50 0.00 C ATOM 166 C BGLY A 10 -14.587 6.509 0.439 0.50 0.00 C ATOM 167 O AGLY A 10 -15.090 7.231 0.387 0.50 0.00 O ATOM 168 O BGLY A 10 -13.967 7.532 0.155 0.50 0.00 O ATOM 0 H AGLY A 10 -17.711 4.867 -0.992 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.080 5.316 -0.602 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.648 7.044 0.142 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.516 7.409 0.214 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.425 6.188 1.655 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.215 6.747 1.808 0.50 0.00 H new ATOM 175 N ATRP A 11 -15.128 4.991 0.185 0.50 0.00 N ATOM 176 N BTRP A 11 -14.019 5.310 0.498 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.689 4.877 -0.030 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.598 5.124 0.227 0.50 0.00 C ATOM 179 C ATRP A 11 -13.366 4.776 -1.516 0.50 0.00 C ATOM 180 C BTRP A 11 -12.357 4.857 -1.255 0.50 0.00 C ATOM 181 O ATRP A 11 -14.201 4.353 -2.314 0.50 0.00 O ATOM 182 O BTRP A 11 -13.159 4.198 -1.914 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.138 3.655 0.709 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.046 3.967 1.064 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.893 3.903 2.166 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.286 4.130 2.533 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.786 3.738 3.187 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.431 3.834 3.214 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.675 4.361 2.765 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.358 4.628 3.503 0.50 0.00 C ATOM 191 NE1ATRP A 11 -13.194 4.066 4.384 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.271 4.119 4.549 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.900 4.451 4.153 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.007 4.606 4.752 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.416 4.702 2.264 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.039 5.089 3.438 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.914 4.868 5.041 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.385 5.029 5.923 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.438 5.117 3.147 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.422 5.509 4.600 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.690 5.196 4.523 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.094 5.476 5.830 0.50 0.00 C ATOM 0 H ATRP A 11 -15.628 4.102 0.174 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.520 4.453 0.731 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.216 5.776 0.364 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.077 6.042 0.500 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.839 2.828 0.602 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.503 3.036 0.730 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.205 3.345 0.239 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.974 3.878 0.886 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.805 3.400 3.071 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.331 3.435 2.769 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.646 4.029 5.298 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -13.979 3.989 5.272 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.211 4.642 1.205 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.512 5.116 2.496 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -11.107 4.931 6.102 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -11.902 5.006 6.871 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.462 5.385 2.770 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.405 5.869 4.561 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.904 5.522 5.188 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.584 5.810 6.721 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.149 5.169 -1.880 0.50 0.00 N ATOM 224 N BGLU A 12 -11.246 5.375 -1.771 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.719 5.122 -3.272 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.902 5.190 -3.176 0.50 0.00 C ATOM 227 C AGLU A 12 -10.352 4.452 -3.397 0.50 0.00 C ATOM 228 C BGLU A 12 -9.575 4.448 -3.319 0.50 0.00 C ATOM 229 O AGLU A 12 -9.416 4.785 -2.672 0.50 0.00 O ATOM 230 O BGLU A 12 -8.643 4.662 -2.544 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.660 6.535 -3.859 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.820 6.544 -3.885 0.50 0.00 C ATOM 233 CG AGLU A 12 -10.247 7.063 -4.034 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.656 6.622 -5.150 0.50 0.00 C ATOM 235 CD AGLU A 12 -10.217 8.498 -4.524 0.50 0.00 C ATOM 236 CD BGLU A 12 -10.835 6.399 -6.407 0.50 0.00 C ATOM 237 OE1AGLU A 12 -9.135 9.120 -4.471 0.50 0.00 O ATOM 238 OE1BGLU A 12 -11.250 6.886 -7.479 0.50 0.00 O ATOM 239 OE2AGLU A 12 -11.276 9.001 -4.956 0.50 0.00 O ATOM 240 OE2BGLU A 12 -9.777 5.740 -6.317 0.50 0.00 O ATOM 0 H AGLU A 12 -11.445 5.523 -1.232 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.571 5.924 -1.239 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.447 4.533 -3.830 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.685 4.590 -3.640 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.162 6.539 -4.826 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -11.144 7.325 -3.197 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -12.214 7.213 -3.209 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -9.779 6.751 -4.134 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -9.718 6.996 -3.083 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.450 5.877 -5.103 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -9.712 6.430 -4.742 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -12.137 7.599 -5.203 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.248 3.505 -4.324 0.50 0.00 N ATOM 254 N BLYS A 13 -9.498 3.573 -4.316 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.999 2.787 -4.546 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.289 2.798 -4.564 0.50 0.00 C ATOM 257 C ALYS A 13 -8.114 3.530 -5.541 0.50 0.00 C ATOM 258 C BLYS A 13 -7.466 3.418 -5.688 0.50 0.00 C ATOM 259 O ALYS A 13 -8.472 3.687 -6.708 0.50 0.00 O ATOM 260 O BLYS A 13 -7.917 3.491 -6.831 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.284 1.374 -5.057 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.648 1.353 -4.915 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.035 0.523 -5.224 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.446 0.501 -5.285 0.50 0.00 C ATOM 265 CD ALYS A 13 -8.322 -0.947 -4.970 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.868 -0.830 -5.884 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.401 -1.843 -5.781 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.397 -2.000 -5.035 0.50 0.00 C ATOM 269 NZ ALYS A 13 -6.857 -2.964 -4.966 0.50 0.00 N ATOM 270 NZ BLYS A 13 -6.302 -2.762 -5.700 0.50 0.00 N ATOM 0 H ALYS A 13 -11.014 3.217 -4.933 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.260 3.383 -4.966 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.471 2.723 -3.594 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.689 2.805 -3.654 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.963 0.876 -4.364 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.158 0.898 -4.066 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.799 1.440 -6.015 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.352 1.354 -5.747 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.641 0.648 -6.232 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.822 1.040 -5.998 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -7.264 0.868 -4.535 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.837 0.325 -4.398 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.201 -1.164 -3.909 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.954 -0.860 -5.976 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -9.359 -1.165 -5.224 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -7.460 -0.922 -6.891 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -7.946 -2.246 -6.635 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -7.049 -1.632 -4.070 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.577 -1.251 -6.180 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -8.236 -2.667 -4.838 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -5.965 -3.297 -5.385 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -5.616 -3.080 -4.985 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -6.682 -2.634 -3.995 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -6.701 -3.589 -6.188 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -7.544 -3.745 -4.948 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -5.823 -2.150 -6.391 0.50 0.00 H new ATOM 297 N AARG A 14 -6.955 3.984 -5.073 0.50 0.00 N ATOM 298 N BARG A 14 -6.258 3.860 -5.356 0.50 0.00 N ATOM 299 CA AARG A 14 -6.019 4.710 -5.923 0.50 0.00 C ATOM 300 CA BARG A 14 -5.372 4.473 -6.340 0.50 0.00 C ATOM 301 C AARG A 14 -4.718 3.931 -6.088 0.50 0.00 C ATOM 302 C BARG A 14 -3.967 3.886 -6.247 0.50 0.00 C ATOM 303 O AARG A 14 -4.447 2.990 -5.344 0.50 0.00 O ATOM 304 O BARG A 14 -3.540 3.442 -5.182 0.50 0.00 O ATOM 305 CB AARG A 14 -5.728 6.090 -5.333 0.50 0.00 C ATOM 306 CB BARG A 14 -5.319 5.988 -6.134 0.50 0.00 C ATOM 307 CG AARG A 14 -6.940 7.009 -5.303 0.50 0.00 C ATOM 308 CG BARG A 14 -6.642 6.591 -5.693 0.50 0.00 C ATOM 309 CD AARG A 14 -6.913 8.005 -6.451 0.50 0.00 C ATOM 310 CD BARG A 14 -6.926 7.900 -6.412 0.50 0.00 C ATOM 311 NE AARG A 14 -7.096 7.352 -7.745 0.50 0.00 N ATOM 312 NE BARG A 14 -8.315 8.324 -6.249 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.284 7.029 -8.244 0.50 0.00 C ATOM 314 CZ BARG A 14 -8.935 9.148 -7.087 0.50 0.00 C ATOM 315 NH1AARG A 14 -9.388 7.295 -7.562 0.50 0.00 N ATOM 316 NH1BARG A 14 -8.292 9.634 -8.141 0.50 0.00 N ATOM 317 NH2AARG A 14 -8.368 6.438 -9.428 0.50 0.00 N ATOM 318 NH2BARG A 14 -10.200 9.486 -6.873 0.50 0.00 N ATOM 0 H AARG A 14 -6.642 3.862 -4.110 0.50 0.00 H new ATOM 0 H BARG A 14 -5.870 3.806 -4.414 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.477 4.831 -6.905 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.770 4.261 -7.333 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.349 5.969 -4.318 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.558 6.218 -5.388 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.937 6.565 -5.914 0.50 0.00 H new ATOM 0 HB3BARG A 14 -5.006 6.462 -7.065 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.851 6.413 -5.358 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.448 5.884 -5.890 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.967 7.546 -4.355 0.50 0.00 H new ATOM 0 HG3BARG A 14 -6.624 6.763 -4.617 0.50 0.00 H new ATOM 0 HD2AARG A 14 -7.697 8.748 -6.305 0.50 0.00 H new ATOM 0 HD2BARG A 14 -6.263 8.675 -6.029 0.50 0.00 H new ATOM 0 HD3AARG A 14 -5.963 8.539 -6.445 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.704 7.786 -7.473 0.50 0.00 H new ATOM 0 HE AARG A 14 -6.266 7.132 -8.296 0.50 0.00 H new ATOM 0 HE BARG A 14 -8.837 7.968 -5.448 0.50 0.00 H new ATOM 0 HH11AARG A 14 -9.328 7.749 -6.651 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.320 9.375 -8.309 0.50 0.00 H new ATOM 0 HH12AARG A 14 -10.299 7.046 -7.948 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.770 10.266 -8.783 0.50 0.00 H new ATOM 0 HH21AARG A 14 -7.520 6.231 -9.956 0.50 0.00 H new ATOM 0 HH21BARG A 14 -10.698 9.113 -6.064 0.50 0.00 H new ATOM 0 HH22AARG A 14 -9.280 6.190 -9.811 0.50 0.00 H new ATOM 0 HH22BARG A 14 -10.675 10.119 -7.517 0.50 0.00 H new ATOM 345 N AMET A 15 -3.916 4.329 -7.070 0.50 0.00 N ATOM 346 N BMET A 15 -3.255 3.889 -7.368 0.50 0.00 N ATOM 347 CA AMET A 15 -2.643 3.668 -7.333 0.50 0.00 C ATOM 348 CA BMET A 15 -1.896 3.357 -7.410 0.50 0.00 C ATOM 349 C AMET A 15 -1.527 4.693 -7.519 0.50 0.00 C ATOM 350 C BMET A 15 -0.927 4.392 -7.975 0.50 0.00 C ATOM 351 O AMET A 15 -1.744 5.762 -8.085 0.50 0.00 O ATOM 352 O BMET A 15 -1.172 4.977 -9.028 0.50 0.00 O ATOM 353 CB AMET A 15 -2.750 2.782 -8.575 0.50 0.00 C ATOM 354 CB BMET A 15 -1.851 2.083 -8.258 0.50 0.00 C ATOM 355 CG AMET A 15 -1.891 1.529 -8.505 0.50 0.00 C ATOM 356 CG BMET A 15 -0.911 1.024 -7.711 0.50 0.00 C ATOM 357 SD AMET A 15 -0.465 1.600 -9.604 0.50 0.00 S ATOM 358 SD BMET A 15 -1.542 -0.650 -7.941 0.50 0.00 S ATOM 359 CE AMET A 15 -0.601 0.022 -10.438 0.50 0.00 C ATOM 360 CE BMET A 15 -1.174 -0.916 -9.673 0.50 0.00 C ATOM 0 H AMET A 15 -4.125 5.106 -7.697 0.50 0.00 H new ATOM 0 H BMET A 15 -3.594 4.253 -8.259 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.401 3.045 -6.472 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.593 3.117 -6.391 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.791 2.491 -8.715 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.856 1.666 -8.326 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.461 3.362 -9.451 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.544 2.341 -9.271 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.548 1.386 -7.480 0.50 0.00 H new ATOM 0 HG2BMET A 15 0.057 1.114 -8.203 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.499 0.662 -8.762 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.746 1.203 -6.649 0.50 0.00 H new ATOM 0 HE1AMET A 15 0.215 -0.083 -11.153 0.50 0.00 H new ATOM 0 HE1BMET A 15 -1.506 -1.912 -9.967 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.546 -0.783 -9.705 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.692 -0.169 -10.274 0.50 0.00 H new ATOM 0 HE3AMET A 15 -1.554 -0.031 -10.964 0.50 0.00 H new ATOM 0 HE3BMET A 15 -0.099 -0.830 -9.834 0.50 0.00 H new ATOM 379 N ASER A 16 -0.335 4.355 -7.039 0.50 0.00 N ATOM 380 N BSER A 16 0.176 4.609 -7.265 0.50 0.00 N ATOM 381 CA ASER A 16 0.814 5.246 -7.148 0.50 0.00 C ATOM 382 CA BSER A 16 1.182 5.575 -7.693 0.50 0.00 C ATOM 383 C ASER A 16 1.794 4.743 -8.206 0.50 0.00 C ATOM 384 C BSER A 16 1.920 5.078 -8.931 0.50 0.00 C ATOM 385 O ASER A 16 1.928 3.537 -8.419 0.50 0.00 O ATOM 386 O BSER A 16 1.947 3.880 -9.213 0.50 0.00 O ATOM 387 CB ASER A 16 1.521 5.370 -5.799 0.50 0.00 C ATOM 388 CB BSER A 16 2.178 5.839 -6.562 0.50 0.00 C ATOM 389 OG ASER A 16 1.603 6.723 -5.388 0.50 0.00 O ATOM 390 OG BSER A 16 1.928 7.090 -5.944 0.50 0.00 O ATOM 0 H ASER A 16 -0.139 3.470 -6.571 0.50 0.00 H new ATOM 0 H BSER A 16 0.396 4.130 -6.392 0.50 0.00 H new ATOM 0 HA ASER A 16 0.452 6.229 -7.451 0.50 0.00 H new ATOM 0 HA BSER A 16 0.674 6.506 -7.945 0.50 0.00 H new ATOM 0 HB2ASER A 16 0.983 4.791 -5.049 0.50 0.00 H new ATOM 0 HB2BSER A 16 2.110 5.043 -5.820 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.523 4.947 -5.870 0.50 0.00 H new ATOM 0 HB3BSER A 16 3.194 5.821 -6.956 0.50 0.00 H new ATOM 0 HG ASER A 16 2.058 6.775 -4.522 0.50 0.00 H new ATOM 0 HG BSER A 16 2.577 7.234 -5.224 0.50 0.00 H new ATOM 401 N AARG A 17 2.476 5.675 -8.862 0.50 0.00 N ATOM 402 N BARG A 17 2.518 6.008 -9.668 0.50 0.00 N ATOM 403 CA AARG A 17 3.443 5.328 -9.897 0.50 0.00 C ATOM 404 CA BARG A 17 3.257 5.667 -10.877 0.50 0.00 C ATOM 405 C AARG A 17 4.849 5.223 -9.314 0.50 0.00 C ATOM 406 C BARG A 17 4.355 4.651 -10.576 0.50 0.00 C ATOM 407 O AARG A 17 5.058 5.458 -8.125 0.50 0.00 O ATOM 408 O BARG A 17 4.337 3.532 -11.088 0.50 0.00 O ATOM 409 CB AARG A 17 3.420 6.369 -11.015 0.50 0.00 C ATOM 410 CB BARG A 17 3.868 6.924 -11.501 0.50 0.00 C ATOM 411 CG AARG A 17 4.342 7.552 -10.766 0.50 0.00 C ATOM 412 CG BARG A 17 4.680 6.649 -12.755 0.50 0.00 C ATOM 413 CD AARG A 17 4.210 8.603 -11.858 0.50 0.00 C ATOM 414 CD BARG A 17 5.596 7.815 -13.092 0.50 0.00 C ATOM 415 NE AARG A 17 4.240 8.011 -13.192 0.50 0.00 N ATOM 416 NE BARG A 17 4.887 9.090 -13.076 0.50 0.00 N ATOM 417 CZ AARG A 17 3.911 8.672 -14.296 0.50 0.00 C ATOM 418 CZ BARG A 17 3.998 9.448 -13.997 0.50 0.00 C ATOM 419 NH1AARG A 17 3.529 9.939 -14.226 0.50 0.00 N ATOM 420 NH1BARG A 17 3.711 8.630 -14.999 0.50 0.00 N ATOM 421 NH2AARG A 17 3.964 8.066 -15.476 0.50 0.00 N ATOM 422 NH2BARG A 17 3.393 10.627 -13.913 0.50 0.00 N ATOM 0 H AARG A 17 2.377 6.676 -8.696 0.50 0.00 H new ATOM 0 H BARG A 17 2.505 7.004 -9.449 0.50 0.00 H new ATOM 0 HA AARG A 17 3.165 4.357 -10.308 0.50 0.00 H new ATOM 0 HA BARG A 17 2.558 5.222 -11.585 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.703 5.890 -11.952 0.50 0.00 H new ATOM 0 HB2BARG A 17 3.069 7.625 -11.743 0.50 0.00 H new ATOM 0 HB3AARG A 17 2.400 6.734 -11.139 0.50 0.00 H new ATOM 0 HB3BARG A 17 4.507 7.411 -10.764 0.50 0.00 H new ATOM 0 HG2AARG A 17 4.109 7.999 -9.800 0.50 0.00 H new ATOM 0 HG2BARG A 17 5.275 5.747 -12.614 0.50 0.00 H new ATOM 0 HG3AARG A 17 5.374 7.206 -10.716 0.50 0.00 H new ATOM 0 HG3BARG A 17 4.007 6.460 -13.591 0.50 0.00 H new ATOM 0 HD2AARG A 17 3.276 9.149 -11.725 0.50 0.00 H new ATOM 0 HD2BARG A 17 6.418 7.848 -12.377 0.50 0.00 H new ATOM 0 HD3AARG A 17 5.019 9.327 -11.764 0.50 0.00 H new ATOM 0 HD3BARG A 17 6.036 7.657 -14.077 0.50 0.00 H new ATOM 0 HE AARG A 17 4.529 7.037 -13.281 0.50 0.00 H new ATOM 0 HE BARG A 17 5.084 9.742 -12.317 0.50 0.00 H new ATOM 0 HH11AARG A 17 3.487 10.410 -13.322 0.50 0.00 H new ATOM 0 HH11BARG A 17 4.173 7.723 -15.065 0.50 0.00 H new ATOM 0 HH12AARG A 17 3.277 10.443 -15.076 0.50 0.00 H new ATOM 0 HH12BARG A 17 3.028 8.907 -15.704 0.50 0.00 H new ATOM 0 HH21AARG A 17 4.258 7.091 -15.536 0.50 0.00 H new ATOM 0 HH21BARG A 17 3.610 11.258 -13.142 0.50 0.00 H new ATOM 0 HH22AARG A 17 3.711 8.575 -16.323 0.50 0.00 H new ATOM 0 HH22BARG A 17 2.711 10.902 -14.620 0.50 0.00 H new ATOM 449 N AASN A 18 5.810 4.864 -10.159 0.50 0.00 N ATOM 450 N BASN A 18 5.310 5.050 -9.741 0.50 0.00 N ATOM 451 CA AASN A 18 7.196 4.727 -9.728 0.50 0.00 C ATOM 452 CA BASN A 18 6.417 4.175 -9.374 0.50 0.00 C ATOM 453 C AASN A 18 7.359 3.530 -8.794 0.50 0.00 C ATOM 454 C BASN A 18 6.062 3.334 -8.149 0.50 0.00 C ATOM 455 O AASN A 18 7.867 2.483 -9.194 0.50 0.00 O ATOM 456 O BASN A 18 5.344 3.790 -7.259 0.50 0.00 O ATOM 457 CB AASN A 18 7.663 6.002 -9.025 0.50 0.00 C ATOM 458 CB BASN A 18 7.675 5.000 -9.090 0.50 0.00 C ATOM 459 CG AASN A 18 8.741 6.731 -9.805 0.50 0.00 C ATOM 460 CG BASN A 18 8.025 5.928 -10.237 0.50 0.00 C ATOM 461 OD1AASN A 18 8.452 7.448 -10.762 0.50 0.00 O ATOM 462 OD1BASN A 18 7.752 5.628 -11.400 0.50 0.00 O ATOM 463 ND2AASN A 18 9.991 6.548 -9.397 0.50 0.00 N ATOM 464 ND2BASN A 18 8.635 7.063 -9.914 0.50 0.00 N ATOM 0 H AASN A 18 5.654 4.663 -11.147 0.50 0.00 H new ATOM 0 H BASN A 18 5.339 5.972 -9.307 0.50 0.00 H new ATOM 0 HA AASN A 18 7.810 4.563 -10.613 0.50 0.00 H new ATOM 0 HA BASN A 18 6.610 3.505 -10.212 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.811 6.666 -8.880 0.50 0.00 H new ATOM 0 HB2BASN A 18 7.525 5.587 -8.184 0.50 0.00 H new ATOM 0 HB3AASN A 18 8.043 5.750 -8.035 0.50 0.00 H new ATOM 0 HB3BASN A 18 8.512 4.328 -8.900 0.50 0.00 H new ATOM 0 HD21AASN A 18 10.759 7.011 -9.883 0.50 0.00 H new ATOM 0 HD21BASN A 18 8.897 7.727 -10.643 0.50 0.00 H new ATOM 0 HD22AASN A 18 10.183 5.944 -8.598 0.50 0.00 H new ATOM 0 HD22BASN A 18 8.842 7.271 -8.937 0.50 0.00 H new ATOM 477 N ASER A 19 6.922 3.694 -7.549 0.50 0.00 N ATOM 478 N BSER A 19 6.570 2.106 -8.114 0.50 0.00 N ATOM 479 CA ASER A 19 7.023 2.630 -6.557 0.50 0.00 C ATOM 480 CA BSER A 19 6.304 1.202 -7.001 0.50 0.00 C ATOM 481 C ASER A 19 6.044 1.502 -6.873 0.50 0.00 C ATOM 482 C BSER A 19 4.898 0.616 -7.102 0.50 0.00 C ATOM 483 O ASER A 19 6.268 0.350 -6.501 0.50 0.00 O ATOM 484 O BSER A 19 4.707 -0.593 -6.978 0.50 0.00 O ATOM 485 CB ASER A 19 6.749 3.181 -5.158 0.50 0.00 C ATOM 486 CB BSER A 19 6.469 1.935 -5.669 0.50 0.00 C ATOM 487 OG ASER A 19 5.537 3.915 -5.126 0.50 0.00 O ATOM 488 OG BSER A 19 5.223 2.407 -5.188 0.50 0.00 O ATOM 0 H ASER A 19 6.495 4.553 -7.204 0.50 0.00 H new ATOM 0 H BSER A 19 7.167 1.715 -8.842 0.50 0.00 H new ATOM 0 HA ASER A 19 8.036 2.230 -6.589 0.50 0.00 H new ATOM 0 HA BSER A 19 7.024 0.385 -7.049 0.50 0.00 H new ATOM 0 HB2ASER A 19 6.699 2.359 -4.444 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.915 1.265 -4.935 0.50 0.00 H new ATOM 0 HB3ASER A 19 7.574 3.822 -4.849 0.50 0.00 H new ATOM 0 HB3BSER A 19 7.155 2.773 -5.794 0.50 0.00 H new ATOM 0 HG ASER A 19 5.651 4.711 -4.566 0.50 0.00 H new ATOM 0 HG BSER A 19 4.912 3.144 -5.754 0.50 0.00 H new ATOM 499 N AGLY A 20 4.959 1.841 -7.559 0.50 0.00 N ATOM 500 N BGLY A 20 3.917 1.485 -7.327 0.50 0.00 N ATOM 501 CA AGLY A 20 3.962 0.847 -7.911 0.50 0.00 C ATOM 502 CA BGLY A 20 2.542 1.037 -7.441 0.50 0.00 C ATOM 503 C AGLY A 20 3.296 0.238 -6.696 0.50 0.00 C ATOM 504 C BGLY A 20 1.966 0.587 -6.111 0.50 0.00 C ATOM 505 O AGLY A 20 3.149 -0.983 -6.605 0.50 0.00 O ATOM 506 O BGLY A 20 1.176 -0.355 -6.056 0.50 0.00 O ATOM 0 H AGLY A 20 4.751 2.787 -7.878 0.50 0.00 H new ATOM 0 H BGLY A 20 4.050 2.491 -7.432 0.50 0.00 H new ATOM 0 HA2AGLY A 20 3.204 1.307 -8.545 0.50 0.00 H new ATOM 0 HA2BGLY A 20 1.932 1.846 -7.843 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.432 0.058 -8.498 0.50 0.00 H new ATOM 0 HA3BGLY A 20 2.489 0.214 -8.153 0.50 0.00 H new ATOM 513 N AARG A 21 2.892 1.086 -5.755 0.50 0.00 N ATOM 514 N BARG A 21 2.365 1.263 -5.038 0.50 0.00 N ATOM 515 CA AARG A 21 2.240 0.623 -4.537 0.50 0.00 C ATOM 516 CA BARG A 21 1.886 0.925 -3.702 0.50 0.00 C ATOM 517 C AARG A 21 0.759 0.993 -4.537 0.50 0.00 C ATOM 518 C BARG A 21 0.421 1.314 -3.537 0.50 0.00 C ATOM 519 O AARG A 21 0.290 1.712 -5.417 0.50 0.00 O ATOM 520 O BARG A 21 0.107 2.369 -2.987 0.50 0.00 O ATOM 521 CB AARG A 21 2.926 1.222 -3.307 0.50 0.00 C ATOM 522 CB BARG A 21 2.736 1.628 -2.642 0.50 0.00 C ATOM 523 CG AARG A 21 3.567 0.184 -2.401 0.50 0.00 C ATOM 524 CG BARG A 21 4.014 0.881 -2.293 0.50 0.00 C ATOM 525 CD AARG A 21 4.889 0.679 -1.834 0.50 0.00 C ATOM 526 CD BARG A 21 5.151 1.842 -1.981 0.50 0.00 C ATOM 527 NE AARG A 21 4.698 1.757 -0.867 0.50 0.00 N ATOM 528 NE BARG A 21 4.888 2.630 -0.779 0.50 0.00 N ATOM 529 CZ AARG A 21 4.850 3.043 -1.161 0.50 0.00 C ATOM 530 CZ BARG A 21 4.429 3.877 -0.802 0.50 0.00 C ATOM 531 NH1AARG A 21 5.192 3.410 -2.389 0.50 0.00 N ATOM 532 NH1BARG A 21 4.182 4.475 -1.959 0.50 0.00 N ATOM 533 NH2AARG A 21 4.658 3.965 -0.227 0.50 0.00 N ATOM 534 NH2BARG A 21 4.214 4.526 0.334 0.50 0.00 N ATOM 0 H AARG A 21 3.005 2.098 -5.814 0.50 0.00 H new ATOM 0 H BARG A 21 3.017 2.046 -5.067 0.50 0.00 H new ATOM 0 HA AARG A 21 2.325 -0.463 -4.500 0.50 0.00 H new ATOM 0 HA BARG A 21 1.974 -0.154 -3.571 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.690 1.927 -3.635 0.50 0.00 H new ATOM 0 HB2BARG A 21 2.994 2.626 -2.998 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.193 1.790 -2.733 0.50 0.00 H new ATOM 0 HB3BARG A 21 2.141 1.756 -1.738 0.50 0.00 H new ATOM 0 HG2AARG A 21 2.887 -0.057 -1.584 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.836 0.234 -1.434 0.50 0.00 H new ATOM 0 HG3AARG A 21 3.732 -0.737 -2.961 0.50 0.00 H new ATOM 0 HG3BARG A 21 4.299 0.236 -3.124 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.412 -0.149 -1.356 0.50 0.00 H new ATOM 0 HD2BARG A 21 6.075 1.280 -1.851 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.524 1.029 -2.647 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.302 2.512 -2.828 0.50 0.00 H new ATOM 0 HE AARG A 21 4.433 1.508 0.086 0.50 0.00 H new ATOM 0 HE BARG A 21 5.067 2.199 0.128 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.339 2.704 -3.110 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.344 3.978 -2.835 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.308 4.398 -2.612 0.50 0.00 H new ATOM 0 HH12BARG A 21 3.830 5.432 -1.973 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.393 3.686 0.718 0.50 0.00 H new ATOM 0 HH21BARG A 21 4.401 4.068 1.226 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.775 4.953 -0.454 0.50 0.00 H new ATOM 0 HH22BARG A 21 3.862 5.483 0.316 0.50 0.00 H new ATOM 561 N AVAL A 22 0.030 0.495 -3.544 0.50 0.00 N ATOM 562 N BVAL A 22 -0.471 0.454 -4.015 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.395 0.774 -3.429 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.905 0.708 -3.920 0.50 0.00 C ATOM 565 C AVAL A 22 -1.693 1.628 -2.200 0.50 0.00 C ATOM 566 C BVAL A 22 -2.305 1.067 -2.493 0.50 0.00 C ATOM 567 O AVAL A 22 -1.124 1.413 -1.129 0.50 0.00 O ATOM 568 O BVAL A 22 -1.793 0.496 -1.532 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.218 -0.527 -3.346 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.724 -0.513 -4.379 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.697 -0.214 -3.182 0.50 0.00 C ATOM 572 CG1BVAL A 22 -2.757 -1.574 -3.290 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.978 -1.388 -4.576 0.50 0.00 C ATOM 574 CG2BVAL A 22 -4.132 -0.093 -4.770 0.50 0.00 C ATOM 0 H AVAL A 22 0.403 -0.104 -2.808 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.228 -0.425 -4.472 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.682 1.321 -4.327 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.122 1.549 -4.579 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.892 -1.088 -2.470 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.242 -0.943 -5.257 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.262 -1.145 -3.125 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.340 -2.429 -3.632 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.848 0.359 -2.267 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -1.740 -1.895 -3.064 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.042 0.369 -4.036 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.214 -1.159 -2.392 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.567 -2.302 -4.501 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.697 -0.968 -5.092 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.275 -0.838 -5.469 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.627 0.363 -3.913 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.920 -1.642 -4.641 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -4.083 0.628 -5.586 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.585 2.598 -2.364 0.50 0.00 N ATOM 594 N BTYR A 23 -3.224 2.017 -2.364 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.956 3.488 -1.269 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.694 2.453 -1.054 0.50 0.00 C ATOM 597 C ATYR A 23 -4.420 3.904 -1.378 0.50 0.00 C ATOM 598 C BTYR A 23 -5.163 2.858 -1.108 0.50 0.00 C ATOM 599 O ATYR A 23 -4.900 4.254 -2.456 0.50 0.00 O ATOM 600 O BTYR A 23 -5.790 2.827 -2.169 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.061 4.728 -1.266 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.849 3.625 -0.552 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.337 5.677 -2.411 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.890 4.835 -1.459 0.50 0.00 C ATOM 605 CD1ATYR A 23 -1.675 5.543 -3.625 0.50 0.00 C ATOM 606 CD1BTYR A 23 -2.048 4.930 -2.560 0.50 0.00 C ATOM 607 CD2ATYR A 23 -3.258 6.708 -2.276 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.772 5.881 -1.214 0.50 0.00 C ATOM 609 CE1ATYR A 23 -1.924 6.408 -4.673 0.50 0.00 C ATOM 610 CE1BTYR A 23 -2.081 6.034 -3.391 0.50 0.00 C ATOM 611 CE2ATYR A 23 -3.514 7.576 -3.319 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.813 6.987 -2.041 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.843 7.424 -4.515 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.965 7.058 -3.128 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.096 8.288 -5.555 0.50 0.00 O ATOM 616 OH BTYR A 23 -3.003 8.160 -3.952 0.50 0.00 O ATOM 0 H ATYR A 23 -3.065 2.789 -3.244 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.658 2.500 -3.150 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.819 2.947 -0.333 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.593 1.616 -0.363 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.195 5.260 -0.324 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.196 3.913 0.440 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.018 4.413 -1.309 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.815 3.297 -0.445 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -0.954 4.749 -3.752 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -1.356 4.128 -2.770 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -3.782 6.833 -1.340 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -4.436 5.828 -0.364 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -1.402 6.289 -5.611 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.418 6.094 -4.241 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -4.236 8.370 -3.199 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.505 7.791 -1.838 0.50 0.00 H new ATOM 0 HH ATYR A 23 -3.770 8.944 -5.279 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.682 8.788 -3.627 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.125 3.864 -0.252 0.50 0.00 N ATOM 636 N BTYR A 24 -5.708 3.239 0.041 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.534 4.235 -0.219 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.105 3.649 0.126 0.50 0.00 C ATOM 639 C ATYR A 24 -6.713 5.644 0.336 0.50 0.00 C ATOM 640 C BTYR A 24 -7.228 5.041 0.739 0.50 0.00 C ATOM 641 O ATYR A 24 -5.909 6.114 1.140 0.50 0.00 O ATOM 642 O BTYR A 24 -6.788 5.278 1.864 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.326 3.236 0.628 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.903 2.643 0.957 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.040 1.791 0.285 0.50 0.00 C ATOM 646 CG BTYR A 24 -8.013 1.279 0.313 0.50 0.00 C ATOM 647 CD1ATYR A 24 -6.469 0.935 1.220 0.50 0.00 C ATOM 648 CD1BTYR A 24 -7.037 0.312 0.519 0.50 0.00 C ATOM 649 CD2ATYR A 24 -7.340 1.282 -0.972 0.50 0.00 C ATOM 650 CD2BTYR A 24 -9.092 0.959 -0.503 0.50 0.00 C ATOM 651 CE1ATYR A 24 -6.205 -0.386 0.911 0.50 0.00 C ATOM 652 CE1BTYR A 24 -7.133 -0.935 -0.067 0.50 0.00 C ATOM 653 CE2ATYR A 24 -7.081 -0.038 -1.289 0.50 0.00 C ATOM 654 CE2BTYR A 24 -9.196 -0.287 -1.091 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.513 -0.867 -0.344 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.215 -1.230 -0.871 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.252 -2.181 -0.655 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.314 -2.471 -1.456 0.50 0.00 O ATOM 0 H ATYR A 24 -4.743 3.578 0.650 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.204 3.273 0.927 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.913 4.216 -1.241 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.511 3.679 -0.885 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.097 3.403 1.681 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.433 2.537 1.935 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.391 3.427 0.499 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.905 3.038 1.126 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -6.228 1.309 2.204 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -6.189 0.539 1.148 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -7.783 1.929 -1.715 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -9.861 1.696 -0.680 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -5.760 -1.038 1.648 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -6.365 -1.675 0.103 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -7.322 -0.418 -2.271 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -10.042 -0.521 -1.720 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.529 -2.360 -1.578 0.50 0.00 H new ATOM 0 HH BTYR A 24 -9.135 -2.517 -1.989 0.50 0.00 H new ATOM 677 N APHE A 25 -7.777 6.313 -0.099 0.50 0.00 N ATOM 678 N BPHE A 25 -7.830 5.958 -0.011 0.50 0.00 N ATOM 679 CA APHE A 25 -8.063 7.670 0.352 0.50 0.00 C ATOM 680 CA BPHE A 25 -8.011 7.329 0.457 0.50 0.00 C ATOM 681 C APHE A 25 -9.562 7.867 0.563 0.50 0.00 C ATOM 682 C BPHE A 25 -9.491 7.701 0.486 0.50 0.00 C ATOM 683 O APHE A 25 -10.359 7.662 -0.350 0.50 0.00 O ATOM 684 O BPHE A 25 -10.209 7.519 -0.497 0.50 0.00 O ATOM 685 CB APHE A 25 -7.541 8.690 -0.662 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.247 8.301 -0.442 0.50 0.00 C ATOM 687 CG APHE A 25 -6.918 9.901 -0.029 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.460 9.744 -0.081 0.50 0.00 C ATOM 689 CD1APHE A 25 -7.667 11.048 0.187 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.431 10.498 -0.724 0.50 0.00 C ATOM 691 CD2APHE A 25 -5.585 9.893 0.351 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.688 10.347 0.900 0.50 0.00 C ATOM 693 CE1APHE A 25 -7.098 12.163 0.770 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.628 11.825 -0.393 0.50 0.00 C ATOM 695 CE2APHE A 25 -5.013 11.007 0.934 0.50 0.00 C ATOM 696 CE2BPHE A 25 -6.884 11.675 1.234 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.769 12.144 1.143 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.854 12.414 0.585 0.50 0.00 C ATOM 0 H APHE A 25 -8.454 5.937 -0.763 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.201 5.778 -0.944 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.555 7.824 1.304 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.617 7.397 1.471 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.805 8.207 -1.305 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.182 8.074 -0.387 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.364 9.008 -1.302 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.553 8.144 -1.476 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.707 11.069 -0.104 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -9.039 10.043 -1.492 0.50 0.00 H new ATOM 0 HD2APHE A 25 -4.988 9.008 0.190 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -5.926 9.774 1.408 0.50 0.00 H new ATOM 0 HE1APHE A 25 -7.692 13.050 0.934 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -9.388 12.401 -0.900 0.50 0.00 H new ATOM 0 HE2APHE A 25 -3.974 10.989 1.227 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.279 12.134 2.002 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.322 13.016 1.597 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -8.006 13.452 0.843 0.50 0.00 H new ATOM 717 N AASN A 26 -9.935 8.266 1.774 0.50 0.00 N ATOM 718 N BASN A 26 -9.941 8.224 1.623 0.50 0.00 N ATOM 719 CA AASN A 26 -11.337 8.490 2.108 0.50 0.00 C ATOM 720 CA BASN A 26 -11.335 8.621 1.781 0.50 0.00 C ATOM 721 C AASN A 26 -11.739 9.934 1.823 0.50 0.00 C ATOM 722 C BASN A 26 -11.446 10.120 2.047 0.50 0.00 C ATOM 723 O AASN A 26 -11.133 10.873 2.340 0.50 0.00 O ATOM 724 O BASN A 26 -10.808 10.649 2.959 0.50 0.00 O ATOM 725 CB AASN A 26 -11.593 8.158 3.579 0.50 0.00 C ATOM 726 CB BASN A 26 -11.982 7.840 2.927 0.50 0.00 C ATOM 727 CG AASN A 26 -13.070 8.028 3.893 0.50 0.00 C ATOM 728 CG BASN A 26 -13.455 8.160 3.085 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.573 8.646 4.832 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.015 8.955 2.330 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.774 7.220 3.108 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.093 7.541 4.073 0.50 0.00 N ATOM 0 H AASN A 26 -9.286 8.441 2.541 0.50 0.00 H new ATOM 0 H BASN A 26 -9.361 8.382 2.447 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.943 7.832 1.485 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.860 8.394 0.853 0.50 0.00 H new ATOM 0 HB2AASN A 26 -11.087 7.226 3.832 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.862 6.771 2.748 0.50 0.00 H new ATOM 0 HB3AASN A 26 -11.158 8.937 4.206 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.462 8.068 3.857 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.773 7.092 3.272 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.085 7.718 4.229 0.50 0.00 H new ATOM 0 HD22AASN A 26 -13.316 6.728 2.341 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.590 6.889 4.675 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.768 10.104 0.998 0.50 0.00 N ATOM 746 N BHIS A 27 -12.261 10.798 1.246 0.50 0.00 N ATOM 747 CA AHIS A 27 -13.252 11.433 0.645 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.457 12.236 1.394 0.50 0.00 C ATOM 749 C AHIS A 27 -14.187 11.975 1.723 0.50 0.00 C ATOM 750 C BHIS A 27 -13.271 12.548 2.647 0.50 0.00 C ATOM 751 O AHIS A 27 -14.619 13.126 1.661 0.50 0.00 O ATOM 752 O BHIS A 27 -13.319 13.691 3.100 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.975 11.396 -0.702 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.157 12.806 0.162 0.50 0.00 C ATOM 755 CG AHIS A 27 -15.399 10.938 -0.604 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.378 12.037 -0.244 0.50 0.00 C ATOM 757 ND1AHIS A 27 -16.421 11.753 -0.167 0.50 0.00 N ATOM 758 ND1BHIS A 27 -15.439 11.807 0.604 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.967 9.745 -0.893 0.50 0.00 C ATOM 760 CD2BHIS A 27 -14.701 11.445 -1.417 0.50 0.00 C ATOM 761 CE1AHIS A 27 -17.557 11.080 -0.189 0.50 0.00 C ATOM 762 CE1BHIS A 27 -16.362 11.106 -0.027 0.50 0.00 C ATOM 763 NE2AHIS A 27 -17.310 9.859 -0.627 0.50 0.00 N ATOM 764 NE2BHIS A 27 -15.940 10.872 -1.256 0.50 0.00 N ATOM 0 H AHIS A 27 -13.282 9.338 0.562 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.796 10.375 0.488 0.50 0.00 H new ATOM 0 HA AHIS A 27 -12.391 12.097 0.568 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.477 12.703 1.494 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.952 12.391 -1.145 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.438 13.840 0.360 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -13.434 10.733 -1.378 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.454 12.821 -0.671 0.50 0.00 H new ATOM 0 HD1AHIS A 27 -16.316 12.724 0.127 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -15.459 8.867 -1.264 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -14.098 11.426 -2.313 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -18.524 11.463 0.102 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -17.303 10.779 0.391 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -16.450 10.351 -1.969 0.50 0.00 H new ATOM 779 N AILE A 28 -14.495 11.137 2.707 0.50 0.00 N ATOM 780 N BILE A 28 -13.910 11.522 3.202 0.50 0.00 N ATOM 781 CA AILE A 28 -15.378 11.532 3.796 0.50 0.00 C ATOM 782 CA BILE A 28 -14.721 11.685 4.400 0.50 0.00 C ATOM 783 C AILE A 28 -14.580 12.022 5.001 0.50 0.00 C ATOM 784 C BILE A 28 -13.854 11.681 5.655 0.50 0.00 C ATOM 785 O AILE A 28 -14.942 13.010 5.640 0.50 0.00 O ATOM 786 O BILE A 28 -14.068 12.474 6.573 0.50 0.00 O ATOM 787 CB AILE A 28 -16.285 10.368 4.236 0.50 0.00 C ATOM 788 CB BILE A 28 -15.782 10.576 4.519 0.50 0.00 C ATOM 789 CG1AILE A 28 -17.143 9.890 3.063 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.721 10.606 3.313 0.50 0.00 C ATOM 791 CG2AILE A 28 -17.165 10.792 5.402 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.567 10.729 5.813 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.297 9.003 3.477 0.50 0.00 C ATOM 794 CD1BILE A 28 -17.948 9.738 3.479 0.50 0.00 C ATOM 0 H AILE A 28 -14.146 10.181 2.772 0.50 0.00 H new ATOM 0 H BILE A 28 -13.881 10.569 2.839 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.999 12.344 3.419 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.224 12.648 4.311 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.655 9.541 4.563 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.276 9.611 4.537 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.535 10.758 2.533 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.035 11.634 3.133 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.512 9.346 2.360 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.173 10.281 2.428 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.800 9.958 5.701 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.313 9.937 5.882 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.537 11.089 6.242 0.50 0.00 H new ATOM 0 HG22BILE A 28 -15.886 10.661 6.662 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.789 11.633 5.100 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.065 11.699 5.824 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.860 8.703 2.593 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.568 9.809 2.585 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.912 8.116 3.980 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.643 8.702 3.628 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.951 9.550 4.156 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.519 10.076 4.344 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.491 11.323 5.304 0.50 0.00 N ATOM 818 N BTHR A 29 -12.873 10.785 5.686 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.640 11.686 6.431 0.50 0.00 C ATOM 820 CA BTHR A 29 -11.973 10.677 6.829 0.50 0.00 C ATOM 821 C ATHR A 29 -11.291 12.210 5.955 0.50 0.00 C ATOM 822 C BTHR A 29 -10.800 11.644 6.696 0.50 0.00 C ATOM 823 O ATHR A 29 -10.409 12.504 6.762 0.50 0.00 O ATOM 824 O BTHR A 29 -10.216 12.065 7.693 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.410 10.487 7.372 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.429 9.245 6.982 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.697 9.455 6.683 0.50 0.00 O ATOM 828 OG1BTHR A 29 -10.690 8.874 5.813 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.734 9.940 7.884 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.564 8.258 7.207 0.50 0.00 C ATOM 0 H ATHR A 29 -13.177 10.503 4.785 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.681 10.124 4.934 0.50 0.00 H new ATOM 0 HA ATHR A 29 -13.160 12.473 6.978 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.553 10.933 7.715 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.822 10.829 8.224 0.50 0.00 H new ATOM 0 HB BTHR A 29 -10.770 9.220 7.850 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -12.288 9.032 6.026 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.509 7.911 5.832 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.547 9.095 8.546 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.156 7.253 7.312 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.262 10.720 8.432 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.106 8.527 8.114 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.343 9.613 7.041 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.245 8.286 6.356 0.50 0.00 H new ATOM 845 N AASN A 30 -11.136 12.323 4.640 0.50 0.00 N ATOM 846 N BASN A 30 -10.461 11.990 5.459 0.50 0.00 N ATOM 847 CA AASN A 30 -9.892 12.811 4.056 0.50 0.00 C ATOM 848 CA BASN A 30 -9.359 12.907 5.196 0.50 0.00 C ATOM 849 C AASN A 30 -8.686 12.114 4.679 0.50 0.00 C ATOM 850 C BASN A 30 -8.026 12.283 5.600 0.50 0.00 C ATOM 851 O AASN A 30 -7.593 12.675 4.735 0.50 0.00 O ATOM 852 O BASN A 30 -7.143 12.963 6.123 0.50 0.00 O ATOM 853 CB AASN A 30 -9.774 14.325 4.248 0.50 0.00 C ATOM 854 CB BASN A 30 -9.568 14.220 5.952 0.50 0.00 C ATOM 855 CG AASN A 30 -11.128 15.002 4.339 0.50 0.00 C ATOM 856 CG BASN A 30 -9.250 15.434 5.101 0.50 0.00 C ATOM 857 OD1AASN A 30 -11.406 15.730 5.294 0.50 0.00 O ATOM 858 OD1BASN A 30 -10.000 16.412 5.090 0.50 0.00 O ATOM 859 ND2AASN A 30 -11.978 14.766 3.348 0.50 0.00 N ATOM 860 ND2BASN A 30 -8.136 15.377 4.381 0.50 0.00 N ATOM 0 H AASN A 30 -11.856 12.083 3.959 0.50 0.00 H new ATOM 0 H BASN A 30 -10.934 11.649 4.622 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.908 12.585 2.990 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.337 13.112 4.126 0.50 0.00 H new ATOM 0 HB2AASN A 30 -9.206 14.531 5.155 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.602 14.279 6.293 0.50 0.00 H new ATOM 0 HB3AASN A 30 -9.212 14.752 3.417 0.50 0.00 H new ATOM 0 HB3BASN A 30 -8.938 14.228 6.842 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.904 15.194 3.357 0.50 0.00 H new ATOM 0 HD21BASN A 30 -7.871 16.163 3.788 0.50 0.00 H new ATOM 0 HD22AASN A 30 -11.706 14.156 2.577 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.545 14.547 4.421 0.50 0.00 H new ATOM 873 N AALA A 31 -8.897 10.888 5.146 0.50 0.00 N ATOM 874 N BALA A 31 -7.888 10.985 5.353 0.50 0.00 N ATOM 875 CA AALA A 31 -7.827 10.113 5.763 0.50 0.00 C ATOM 876 CA BALA A 31 -6.663 10.270 5.688 0.50 0.00 C ATOM 877 C AALA A 31 -7.186 9.163 4.757 0.50 0.00 C ATOM 878 C BALA A 31 -6.494 9.031 4.812 0.50 0.00 C ATOM 879 O AALA A 31 -7.805 8.786 3.763 0.50 0.00 O ATOM 880 O BALA A 31 -7.447 8.291 4.577 0.50 0.00 O ATOM 881 CB AALA A 31 -8.361 9.334 6.957 0.50 0.00 C ATOM 882 CB BALA A 31 -6.663 9.882 7.158 0.50 0.00 C ATOM 0 H AALA A 31 -9.798 10.410 5.109 0.50 0.00 H new ATOM 0 H BALA A 31 -8.609 10.407 4.922 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.061 10.808 6.107 0.50 0.00 H new ATOM 0 HA BALA A 31 -5.820 10.935 5.499 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.552 8.760 7.408 0.50 0.00 H new ATOM 0 HB1BALA A 31 -5.742 9.349 7.394 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.767 10.029 7.692 0.50 0.00 H new ATOM 0 HB2BALA A 31 -6.729 10.781 7.771 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.147 8.655 6.626 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.518 9.238 7.364 0.50 0.00 H new ATOM 893 N ASER A 32 -5.940 8.784 5.020 0.50 0.00 N ATOM 894 N BSER A 32 -5.272 8.814 4.334 0.50 0.00 N ATOM 895 CA ASER A 32 -5.212 7.883 4.135 0.50 0.00 C ATOM 896 CA BSER A 32 -4.979 7.667 3.481 0.50 0.00 C ATOM 897 C ASER A 32 -4.690 6.671 4.900 0.50 0.00 C ATOM 898 C BSER A 32 -4.304 6.556 4.279 0.50 0.00 C ATOM 899 O ASER A 32 -4.051 6.810 5.942 0.50 0.00 O ATOM 900 O BSER A 32 -3.811 6.782 5.383 0.50 0.00 O ATOM 901 CB ASER A 32 -4.047 8.617 3.469 0.50 0.00 C ATOM 902 CB BSER A 32 -4.084 8.090 2.314 0.50 0.00 C ATOM 903 OG ASER A 32 -2.811 8.253 4.056 0.50 0.00 O ATOM 904 OG BSER A 32 -3.506 9.363 2.548 0.50 0.00 O ATOM 0 H ASER A 32 -5.413 9.087 5.839 0.50 0.00 H new ATOM 0 H BSER A 32 -4.470 9.416 4.522 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.902 7.536 3.366 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.921 7.286 3.087 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.029 8.386 2.404 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.296 7.351 2.170 0.50 0.00 H new ATOM 0 HB3ASER A 32 -4.193 9.693 3.559 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.669 8.116 1.394 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.083 8.735 3.611 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.938 9.609 1.788 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.972 5.482 4.377 0.50 0.00 N ATOM 916 N BGLN A 33 -4.286 5.355 3.710 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.532 4.245 5.010 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.672 4.208 4.367 0.50 0.00 C ATOM 919 C AGLN A 33 -3.763 3.371 4.026 0.50 0.00 C ATOM 920 C BGLN A 33 -3.524 3.040 3.398 0.50 0.00 C ATOM 921 O AGLN A 33 -3.873 3.541 2.812 0.50 0.00 O ATOM 922 O BGLN A 33 -4.423 2.759 2.604 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.734 3.476 5.562 0.50 0.00 C ATOM 924 CB BGLN A 33 -4.507 3.781 5.576 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.647 3.200 7.056 0.50 0.00 C ATOM 926 CG BGLN A 33 -5.960 3.488 5.241 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.143 1.817 7.424 0.50 0.00 C ATOM 928 CD BGLN A 33 -6.829 3.350 6.475 0.50 0.00 C ATOM 929 OE1AGLN A 33 -5.425 1.033 8.048 0.50 0.00 O ATOM 930 OE1BGLN A 33 -7.653 4.217 6.768 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.375 1.507 7.040 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.648 2.257 7.207 0.50 0.00 N ATOM 0 H AGLN A 33 -5.503 5.350 3.516 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.690 5.151 2.796 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.865 4.505 5.832 0.50 0.00 H new ATOM 0 HA BGLN A 33 -2.679 4.503 4.705 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.642 4.043 5.358 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -4.059 2.892 6.020 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.824 2.529 5.031 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -4.468 4.568 6.329 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -4.613 3.309 7.382 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -6.352 4.288 4.613 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -6.231 3.946 7.594 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -6.016 2.569 4.658 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.935 2.187 6.525 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -5.954 1.565 6.926 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -7.762 0.589 7.260 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.203 2.110 8.050 0.50 0.00 H new ATOM 949 N APHE A 34 -2.984 2.434 4.557 0.50 0.00 N ATOM 950 N BPHE A 34 -2.384 2.360 3.467 0.50 0.00 N ATOM 951 CA APHE A 34 -2.194 1.534 3.724 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.118 1.224 2.595 0.50 0.00 C ATOM 953 C APHE A 34 -2.639 0.087 3.916 0.50 0.00 C ATOM 954 C BPHE A 34 -3.042 0.055 2.927 0.50 0.00 C ATOM 955 O APHE A 34 -1.863 -0.844 3.704 0.50 0.00 O ATOM 956 O BPHE A 34 -3.480 -0.673 2.036 0.50 0.00 O ATOM 957 CB APHE A 34 -0.706 1.670 4.055 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.656 0.785 2.724 0.50 0.00 C ATOM 959 CG APHE A 34 0.081 2.382 2.993 0.50 0.00 C ATOM 960 CG BPHE A 34 0.317 1.928 2.681 0.50 0.00 C ATOM 961 CD1APHE A 34 1.191 1.784 2.418 0.50 0.00 C ATOM 962 CD1BPHE A 34 1.189 2.151 3.734 0.50 0.00 C ATOM 963 CD2APHE A 34 -0.287 3.649 2.569 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.360 2.777 1.587 0.50 0.00 C ATOM 965 CE1APHE A 34 1.918 2.436 1.440 0.50 0.00 C ATOM 966 CE1BPHE A 34 2.088 3.202 3.699 0.50 0.00 C ATOM 967 CE2APHE A 34 0.435 4.305 1.591 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.257 3.830 1.546 0.50 0.00 C ATOM 969 CZ APHE A 34 1.540 3.699 1.027 0.50 0.00 C ATOM 970 CZ BPHE A 34 2.121 4.042 2.604 0.50 0.00 C ATOM 0 H APHE A 34 -2.883 2.278 5.560 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.630 2.577 4.119 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.353 1.811 2.682 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.308 1.535 1.568 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.599 2.208 4.997 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.528 0.244 3.662 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.283 0.677 4.205 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.422 0.088 1.920 0.50 0.00 H new ATOM 0 HD1APHE A 34 1.491 0.797 2.738 0.50 0.00 H new ATOM 0 HD1BPHE A 34 1.167 1.496 4.593 0.50 0.00 H new ATOM 0 HD2APHE A 34 -1.149 4.129 3.009 0.50 0.00 H new ATOM 0 HD2BPHE A 34 -0.313 2.615 0.758 0.50 0.00 H new ATOM 0 HE1APHE A 34 2.781 1.959 0.999 0.50 0.00 H new ATOM 0 HE1BPHE A 34 2.763 3.365 4.527 0.50 0.00 H new ATOM 0 HE2APHE A 34 0.135 5.291 1.268 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.282 4.486 0.688 0.50 0.00 H new ATOM 0 HZ APHE A 34 2.108 4.211 0.264 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.821 4.864 2.574 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.893 -0.093 4.319 0.50 0.00 N ATOM 990 N BGLU A 35 -3.332 -0.116 4.212 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.440 -1.425 4.538 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.202 -1.197 4.660 0.50 0.00 C ATOM 993 C AGLU A 35 -5.916 -1.479 4.155 0.50 0.00 C ATOM 994 C BGLU A 35 -5.664 -0.874 4.364 0.50 0.00 C ATOM 995 O AGLU A 35 -6.602 -0.457 4.138 0.50 0.00 O ATOM 996 O BGLU A 35 -6.061 0.291 4.337 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.268 -1.835 6.003 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.015 -1.442 6.158 0.50 0.00 C ATOM 999 CG AGLU A 35 -2.995 -2.621 6.271 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.582 -1.755 6.549 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.769 -1.734 6.355 0.50 0.00 C ATOM 1002 CD BGLU A 35 -1.745 -0.507 6.751 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -1.853 -0.665 6.997 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -0.502 -0.621 6.762 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -0.726 -2.105 5.779 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -2.334 0.584 6.899 0.50 0.00 O ATOM 0 H AGLU A 35 -4.548 0.667 4.500 0.50 0.00 H new ATOM 0 H BGLU A 35 -2.978 0.479 4.961 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.893 -2.123 3.904 0.50 0.00 H new ATOM 0 HA BGLU A 35 -3.930 -2.101 4.115 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.269 -0.940 6.624 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.348 -0.561 6.706 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.126 -2.435 6.307 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.655 -2.269 6.465 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.103 -3.174 7.204 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.580 -2.341 7.468 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -2.853 -3.357 5.479 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.125 -2.373 5.776 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.399 -2.678 3.846 0.50 0.00 N ATOM 1020 N BARG A 36 -6.461 -1.916 4.143 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.791 -2.866 3.461 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.877 -1.746 3.849 0.50 0.00 C ATOM 1023 C AARG A 36 -8.730 -2.271 4.506 0.50 0.00 C ATOM 1024 C BARG A 36 -8.689 -1.617 5.134 0.50 0.00 C ATOM 1025 O AARG A 36 -8.866 -2.788 5.617 0.50 0.00 O ATOM 1026 O BARG A 36 -8.815 -2.558 5.915 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.096 -4.352 3.271 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.393 -2.927 3.023 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.393 -4.619 2.527 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.807 -2.731 2.500 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.233 -4.402 1.031 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.521 -4.061 2.318 0.50 0.00 C ATOM 1033 NE AARG A 36 -10.398 -4.864 0.281 0.50 0.00 N ATOM 1034 NE BARG A 36 -9.852 -4.914 1.340 0.50 0.00 N ATOM 1035 CZ AARG A 36 -10.684 -6.146 0.082 0.50 0.00 C ATOM 1036 CZ BARG A 36 -10.426 -5.965 0.764 0.50 0.00 C ATOM 1037 NH1AARG A 36 -9.891 -7.089 0.574 0.50 0.00 N ATOM 1038 NH1BARG A 36 -11.676 -6.291 1.067 0.50 0.00 N ATOM 1039 NH2AARG A 36 -11.763 -6.487 -0.610 0.50 0.00 N ATOM 1040 NH2BARG A 36 -9.751 -6.692 -0.116 0.50 0.00 N ATOM 0 H AARG A 36 -5.845 -3.534 3.855 0.50 0.00 H new ATOM 0 H BARG A 36 -6.148 -2.887 4.162 0.50 0.00 H new ATOM 0 HA AARG A 36 -7.952 -2.347 2.516 0.50 0.00 H new ATOM 0 HA BARG A 36 -7.995 -0.828 3.273 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.273 -4.816 2.727 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.722 -3.091 2.180 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.143 -4.832 4.248 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.362 -3.829 3.635 0.50 0.00 H new ATOM 0 HG2AARG A 36 -9.717 -5.643 2.714 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.370 -2.106 3.194 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.175 -3.962 2.909 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.774 -2.201 1.548 0.50 0.00 H new ATOM 0 HD2AARG A 36 -9.073 -3.342 0.834 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.571 -4.579 3.276 0.50 0.00 H new ATOM 0 HD3AARG A 36 -8.345 -4.929 0.682 0.50 0.00 H new ATOM 0 HD3BARG A 36 -11.547 -3.880 1.999 0.50 0.00 H new ATOM 0 HE AARG A 36 -11.027 -4.164 -0.112 0.50 0.00 H new ATOM 0 HE BARG A 36 -8.890 -4.691 1.085 0.50 0.00 H new ATOM 0 HH11AARG A 36 -9.060 -6.830 1.106 0.50 0.00 H new ATOM 0 HH11BARG A 36 -12.199 -5.734 1.743 0.50 0.00 H new ATOM 0 HH12AARG A 36 -10.112 -8.073 0.420 0.50 0.00 H new ATOM 0 HH12BARG A 36 -12.114 -7.098 0.623 0.50 0.00 H new ATOM 0 HH21AARG A 36 -12.374 -5.765 -0.990 0.50 0.00 H new ATOM 0 HH21BARG A 36 -8.790 -6.445 -0.352 0.50 0.00 H new ATOM 0 HH22AARG A 36 -11.981 -7.472 -0.762 0.50 0.00 H new ATOM 0 HH22BARG A 36 -10.193 -7.498 -0.557 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.392 -1.162 4.148 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.252 -0.420 5.359 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.329 -0.475 5.041 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.061 -0.137 6.549 0.50 0.00 C ATOM 1071 C APRO A 37 -11.604 -1.279 5.273 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.396 -0.873 6.531 0.50 0.00 C ATOM 1073 O APRO A 37 -12.281 -1.676 4.324 0.50 0.00 O ATOM 1074 O BPRO A 37 -11.884 -1.266 5.471 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.644 0.823 4.295 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.283 1.375 6.479 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.404 0.503 2.859 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.158 1.707 5.031 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.278 -0.493 2.841 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.145 0.749 4.471 0.50 0.00 C ATOM 0 HA APRO A 37 -9.906 -0.320 6.034 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.567 -0.466 7.463 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.674 1.137 4.464 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.264 1.650 6.865 0.50 0.00 H new ATOM 0 HB3APRO A 37 -10.003 1.638 4.631 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.544 1.912 7.074 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.300 0.088 2.396 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.117 1.602 4.523 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.141 1.400 2.298 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -9.836 2.739 4.894 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.380 -1.200 2.018 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.367 0.489 3.436 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.311 -0.004 2.723 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.141 1.173 4.484 0.50 0.00 H new ATOM 1095 N ASER A 38 -11.927 -1.516 6.541 0.50 0.00 N ATOM 1096 N BSER A 38 -11.986 -1.053 7.709 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.119 -2.275 6.898 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.264 -1.744 7.827 0.50 0.00 C ATOM 1099 C ASER A 38 -14.382 -1.475 6.596 0.50 0.00 C ATOM 1100 C BSER A 38 -14.363 -0.781 8.259 0.50 0.00 C ATOM 1101 O ASER A 38 -15.104 -1.770 5.644 0.50 0.00 O ATOM 1102 O BSER A 38 -14.088 0.324 8.726 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.083 -2.653 8.380 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.155 -2.896 8.828 0.50 0.00 C ATOM 1105 OG ASER A 38 -12.971 -1.502 9.198 0.50 0.00 O ATOM 1106 OG BSER A 38 -14.275 -3.759 8.737 0.50 0.00 O ATOM 0 H ASER A 38 -11.379 -1.193 7.338 0.50 0.00 H new ATOM 0 H BSER A 38 -11.599 -0.729 8.595 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.134 -3.185 6.298 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.523 -2.147 6.848 0.50 0.00 H new ATOM 0 HB2ASER A 38 -13.988 -3.201 8.641 0.50 0.00 H new ATOM 0 HB2BSER A 38 -12.241 -3.460 8.640 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.241 -3.320 8.568 0.50 0.00 H new ATOM 0 HB3BSER A 38 -13.081 -2.497 9.840 0.50 0.00 H new ATOM 0 HG ASER A 38 -12.952 -1.771 10.140 0.50 0.00 H new ATOM 0 HG BSER A 38 -14.180 -4.488 9.386 0.50 0.00 H new ATOM 1117 N AGLY A 39 -14.644 -0.461 7.415 0.50 0.00 N ATOM 1118 N BGLY A 39 -15.613 -1.209 8.102 0.50 0.00 N ATOM 1119 CA AGLY A 39 -15.820 0.366 7.219 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.737 -0.372 8.481 0.50 0.00 C ATOM 1121 C AGLY A 39 -16.866 0.151 8.295 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.882 -0.243 9.985 0.50 0.00 C ATOM 1123 O AGLY A 39 -17.901 0.816 8.307 0.50 0.00 O ATOM 1124 O BGLY A 39 -15.935 -0.550 10.705 0.50 0.00 O ATOM 0 H AGLY A 39 -14.063 -0.198 8.211 0.50 0.00 H new ATOM 0 H BGLY A 39 -15.867 -2.120 7.719 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -15.525 1.415 7.208 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -16.612 0.619 8.045 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.256 0.147 6.244 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -17.654 -0.790 8.065 0.50 0.00 H new TER 1131 GLY A 39