USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 449 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 Single : A 9 THR OG1 : rot 28:sc= 0.707 USER MOD Single : A 10 MET CE :methyl 160:sc= -11.2! (180deg=-13.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 21 SER OG : rot 128:sc= 0.803 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -6.4! C(o=-7.3!,f=-6.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.315 K(o=-0.31,f=-0.9) USER MOD Single : A 35 GLN : amide:sc= -0.833! C(o=-0.83!,f=-3.4!) USER MOD Single : A 42 TYR OH : rot -82:sc= 0.16 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -5:sc= -0.0623 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -150:sc= 0.54 USER MOD Single : A 62 GLN :FLIP amide:sc= -1.87 F(o=-8.7!,f=-1.9) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.66! C(o=-2.7!,f=-3.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=0.000767 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.980 10.259 3.671 1.00 54.31 N ATOM 73 CA GLU A 7 5.117 9.576 2.390 1.00 1.24 C ATOM 74 C GLU A 7 5.380 8.087 2.592 1.00 24.22 C ATOM 75 O GLU A 7 6.424 7.694 3.111 1.00 41.10 O ATOM 76 CB GLU A 7 6.251 10.199 1.573 1.00 53.42 C ATOM 77 CG GLU A 7 7.554 10.334 2.344 1.00 31.54 C ATOM 78 CD GLU A 7 8.737 9.755 1.594 1.00 32.03 C ATOM 79 OE1 GLU A 7 8.644 9.616 0.356 1.00 74.42 O ATOM 80 OE2 GLU A 7 9.757 9.440 2.244 1.00 3.44 O ATOM 0 HA GLU A 7 4.180 9.691 1.845 1.00 1.24 H new ATOM 0 HB2 GLU A 7 6.425 9.590 0.686 1.00 53.42 H new ATOM 0 HB3 GLU A 7 5.939 11.185 1.227 1.00 53.42 H new ATOM 0 HG2 GLU A 7 7.741 11.387 2.553 1.00 31.54 H new ATOM 0 HG3 GLU A 7 7.457 9.831 3.306 1.00 31.54 H new ATOM 85 N VAL A 8 4.422 7.262 2.177 1.00 12.50 N ATOM 86 CA VAL A 8 4.549 5.816 2.312 1.00 34.42 C ATOM 87 C VAL A 8 5.063 5.187 1.021 1.00 64.12 C ATOM 88 O VAL A 8 4.547 5.458 -0.063 1.00 4.13 O ATOM 89 CB VAL A 8 3.204 5.167 2.687 1.00 41.11 C ATOM 90 CG1 VAL A 8 2.126 5.557 1.687 1.00 2.01 C ATOM 91 CG2 VAL A 8 3.346 3.655 2.767 1.00 24.52 C ATOM 0 H VAL A 8 3.551 7.571 1.745 1.00 12.50 H new ATOM 0 HA VAL A 8 5.267 5.634 3.112 1.00 34.42 H new ATOM 0 HB VAL A 8 2.905 5.533 3.669 1.00 41.11 H new ATOM 0 HG11 VAL A 8 1.183 5.089 1.968 1.00 2.01 H new ATOM 0 HG12 VAL A 8 2.007 6.640 1.684 1.00 2.01 H new ATOM 0 HG13 VAL A 8 2.415 5.221 0.691 1.00 2.01 H new ATOM 0 HG21 VAL A 8 2.386 3.213 3.033 1.00 24.52 H new ATOM 0 HG22 VAL A 8 3.668 3.268 1.800 1.00 24.52 H new ATOM 0 HG23 VAL A 8 4.086 3.399 3.525 1.00 24.52 H new ATOM 101 N THR A 9 6.082 4.343 1.146 1.00 21.04 N ATOM 102 CA THR A 9 6.666 3.675 -0.011 1.00 34.13 C ATOM 103 C THR A 9 6.709 2.165 0.190 1.00 62.11 C ATOM 104 O THR A 9 7.341 1.671 1.123 1.00 64.14 O ATOM 105 CB THR A 9 8.092 4.184 -0.293 1.00 41.24 C ATOM 106 OG1 THR A 9 8.949 3.880 0.814 1.00 45.10 O ATOM 107 CG2 THR A 9 8.092 5.685 -0.543 1.00 31.01 C ATOM 0 H THR A 9 6.520 4.106 2.036 1.00 21.04 H new ATOM 0 HA THR A 9 6.029 3.908 -0.865 1.00 34.13 H new ATOM 0 HB THR A 9 8.462 3.683 -1.187 1.00 41.24 H new ATOM 0 HG1 THR A 9 8.615 3.083 1.277 1.00 45.10 H new ATOM 0 HG21 THR A 9 9.110 6.021 -0.740 1.00 31.01 H new ATOM 0 HG22 THR A 9 7.463 5.910 -1.404 1.00 31.01 H new ATOM 0 HG23 THR A 9 7.703 6.200 0.335 1.00 31.01 H new ATOM 115 N MET A 10 6.033 1.436 -0.692 1.00 23.31 N ATOM 116 CA MET A 10 5.995 -0.019 -0.611 1.00 74.20 C ATOM 117 C MET A 10 7.255 -0.630 -1.217 1.00 24.04 C ATOM 118 O MET A 10 7.589 -0.371 -2.374 1.00 45.12 O ATOM 119 CB MET A 10 4.757 -0.559 -1.329 1.00 70.43 C ATOM 120 CG MET A 10 3.448 -0.030 -0.765 1.00 1.13 C ATOM 121 SD MET A 10 2.069 -0.226 -1.911 1.00 42.45 S ATOM 122 CE MET A 10 2.716 -1.485 -3.008 1.00 4.22 C ATOM 0 H MET A 10 5.504 1.829 -1.471 1.00 23.31 H new ATOM 0 HA MET A 10 5.946 -0.298 0.442 1.00 74.20 H new ATOM 0 HB2 MET A 10 4.819 -0.300 -2.386 1.00 70.43 H new ATOM 0 HB3 MET A 10 4.757 -1.647 -1.267 1.00 70.43 H new ATOM 0 HG2 MET A 10 3.220 -0.552 0.164 1.00 1.13 H new ATOM 0 HG3 MET A 10 3.563 1.025 -0.518 1.00 1.13 H new ATOM 0 HE1 MET A 10 1.892 -1.966 -3.535 1.00 4.22 H new ATOM 0 HE2 MET A 10 3.391 -1.026 -3.731 1.00 4.22 H new ATOM 0 HE3 MET A 10 3.259 -2.230 -2.427 1.00 4.22 H new ATOM 130 N LYS A 11 7.952 -1.442 -0.429 1.00 4.44 N ATOM 131 CA LYS A 11 9.175 -2.090 -0.887 1.00 63.12 C ATOM 132 C LYS A 11 8.894 -3.517 -1.348 1.00 72.21 C ATOM 133 O LYS A 11 8.241 -4.290 -0.646 1.00 71.22 O ATOM 134 CB LYS A 11 10.221 -2.099 0.230 1.00 71.54 C ATOM 135 CG LYS A 11 11.561 -1.517 -0.186 1.00 62.41 C ATOM 136 CD LYS A 11 12.407 -1.149 1.021 1.00 12.23 C ATOM 137 CE LYS A 11 13.863 -0.937 0.636 1.00 1.02 C ATOM 138 NZ LYS A 11 14.619 -2.219 0.598 1.00 20.44 N ATOM 0 H LYS A 11 7.690 -1.667 0.531 1.00 4.44 H new ATOM 0 HA LYS A 11 9.562 -1.523 -1.734 1.00 63.12 H new ATOM 0 HB2 LYS A 11 9.837 -1.535 1.080 1.00 71.54 H new ATOM 0 HB3 LYS A 11 10.369 -3.124 0.569 1.00 71.54 H new ATOM 0 HG2 LYS A 11 12.098 -2.240 -0.801 1.00 62.41 H new ATOM 0 HG3 LYS A 11 11.399 -0.632 -0.802 1.00 62.41 H new ATOM 0 HD2 LYS A 11 12.014 -0.241 1.479 1.00 12.23 H new ATOM 0 HD3 LYS A 11 12.338 -1.939 1.769 1.00 12.23 H new ATOM 0 HE2 LYS A 11 13.914 -0.456 -0.341 1.00 1.02 H new ATOM 0 HE3 LYS A 11 14.332 -0.260 1.349 1.00 1.02 H new ATOM 0 HZ1 LYS A 11 15.607 -2.032 0.332 1.00 20.44 H new ATOM 0 HZ2 LYS A 11 14.592 -2.666 1.537 1.00 20.44 H new ATOM 0 HZ3 LYS A 11 14.187 -2.856 -0.101 1.00 20.44 H new ATOM 148 N LYS A 12 9.392 -3.861 -2.530 1.00 32.12 N ATOM 149 CA LYS A 12 9.199 -5.196 -3.084 1.00 4.24 C ATOM 150 C LYS A 12 9.616 -6.266 -2.083 1.00 72.13 C ATOM 151 O LYS A 12 10.797 -6.414 -1.773 1.00 74.14 O ATOM 152 CB LYS A 12 9.998 -5.354 -4.380 1.00 2.33 C ATOM 153 CG LYS A 12 9.486 -6.465 -5.279 1.00 74.44 C ATOM 154 CD LYS A 12 9.631 -6.106 -6.748 1.00 14.24 C ATOM 155 CE LYS A 12 10.331 -7.211 -7.525 1.00 2.31 C ATOM 156 NZ LYS A 12 10.355 -6.931 -8.988 1.00 2.21 N ATOM 0 H LYS A 12 9.933 -3.233 -3.124 1.00 32.12 H new ATOM 0 HA LYS A 12 8.138 -5.322 -3.302 1.00 4.24 H new ATOM 0 HB2 LYS A 12 9.973 -4.413 -4.929 1.00 2.33 H new ATOM 0 HB3 LYS A 12 11.041 -5.550 -4.132 1.00 2.33 H new ATOM 0 HG2 LYS A 12 10.035 -7.384 -5.072 1.00 74.44 H new ATOM 0 HG3 LYS A 12 8.438 -6.663 -5.054 1.00 74.44 H new ATOM 0 HD2 LYS A 12 8.646 -5.925 -7.178 1.00 14.24 H new ATOM 0 HD3 LYS A 12 10.196 -5.179 -6.843 1.00 14.24 H new ATOM 0 HE2 LYS A 12 11.352 -7.321 -7.160 1.00 2.31 H new ATOM 0 HE3 LYS A 12 9.824 -8.159 -7.345 1.00 2.31 H new ATOM 0 HZ1 LYS A 12 10.840 -7.707 -9.482 1.00 2.21 H new ATOM 0 HZ2 LYS A 12 9.380 -6.851 -9.342 1.00 2.21 H new ATOM 0 HZ3 LYS A 12 10.861 -6.039 -9.163 1.00 2.21 H new ATOM 166 N GLY A 13 8.638 -7.014 -1.579 1.00 40.12 N ATOM 167 CA GLY A 13 8.926 -8.062 -0.618 1.00 61.54 C ATOM 168 C GLY A 13 8.831 -7.578 0.815 1.00 30.21 C ATOM 169 O GLY A 13 9.591 -8.017 1.678 1.00 34.45 O ATOM 0 H GLY A 13 7.652 -6.912 -1.820 1.00 40.12 H new ATOM 0 HA2 GLY A 13 8.230 -8.888 -0.766 1.00 61.54 H new ATOM 0 HA3 GLY A 13 9.927 -8.453 -0.800 1.00 61.54 H new ATOM 173 N ASP A 14 7.896 -6.669 1.069 1.00 62.45 N ATOM 174 CA ASP A 14 7.704 -6.124 2.408 1.00 42.25 C ATOM 175 C ASP A 14 6.258 -6.297 2.864 1.00 23.04 C ATOM 176 O ASP A 14 5.326 -6.135 2.076 1.00 10.32 O ATOM 177 CB ASP A 14 8.088 -4.644 2.440 1.00 30.10 C ATOM 178 CG ASP A 14 8.853 -4.271 3.694 1.00 62.44 C ATOM 179 OD1 ASP A 14 9.760 -5.034 4.085 1.00 62.23 O ATOM 180 OD2 ASP A 14 8.544 -3.216 4.286 1.00 45.22 O ATOM 0 H ASP A 14 7.259 -6.294 0.366 1.00 62.45 H new ATOM 0 HA ASP A 14 8.350 -6.674 3.092 1.00 42.25 H new ATOM 0 HB2 ASP A 14 8.694 -4.410 1.565 1.00 30.10 H new ATOM 0 HB3 ASP A 14 7.186 -4.036 2.374 1.00 30.10 H new ATOM 184 N ILE A 15 6.080 -6.626 4.138 1.00 5.00 N ATOM 185 CA ILE A 15 4.747 -6.820 4.697 1.00 53.32 C ATOM 186 C ILE A 15 4.196 -5.518 5.267 1.00 43.35 C ATOM 187 O ILE A 15 4.717 -4.986 6.249 1.00 12.32 O ATOM 188 CB ILE A 15 4.752 -7.890 5.805 1.00 24.31 C ATOM 189 CG1 ILE A 15 5.401 -9.178 5.296 1.00 73.50 C ATOM 190 CG2 ILE A 15 3.335 -8.160 6.286 1.00 24.13 C ATOM 191 CD1 ILE A 15 5.837 -10.114 6.402 1.00 71.03 C ATOM 0 H ILE A 15 6.841 -6.764 4.803 1.00 5.00 H new ATOM 0 HA ILE A 15 4.108 -7.156 3.881 1.00 53.32 H new ATOM 0 HB ILE A 15 5.336 -7.518 6.647 1.00 24.31 H new ATOM 0 HG12 ILE A 15 4.696 -9.698 4.648 1.00 73.50 H new ATOM 0 HG13 ILE A 15 6.267 -8.922 4.685 1.00 73.50 H new ATOM 0 HG21 ILE A 15 3.355 -8.918 7.069 1.00 24.13 H new ATOM 0 HG22 ILE A 15 2.904 -7.241 6.682 1.00 24.13 H new ATOM 0 HG23 ILE A 15 2.729 -8.515 5.452 1.00 24.13 H new ATOM 0 HD11 ILE A 15 6.288 -11.006 5.967 1.00 71.03 H new ATOM 0 HD12 ILE A 15 6.566 -9.611 7.038 1.00 71.03 H new ATOM 0 HD13 ILE A 15 4.971 -10.400 6.999 1.00 71.03 H new ATOM 202 N LEU A 16 3.136 -5.009 4.648 1.00 33.12 N ATOM 203 CA LEU A 16 2.511 -3.769 5.094 1.00 52.54 C ATOM 204 C LEU A 16 1.094 -4.024 5.598 1.00 12.05 C ATOM 205 O LEU A 16 0.305 -4.709 4.945 1.00 0.03 O ATOM 206 CB LEU A 16 2.485 -2.749 3.955 1.00 42.23 C ATOM 207 CG LEU A 16 3.597 -2.877 2.914 1.00 31.52 C ATOM 208 CD1 LEU A 16 3.058 -3.492 1.631 1.00 73.25 C ATOM 209 CD2 LEU A 16 4.224 -1.519 2.633 1.00 42.01 C ATOM 0 H LEU A 16 2.691 -5.436 3.835 1.00 33.12 H new ATOM 0 HA LEU A 16 3.102 -3.369 5.917 1.00 52.54 H new ATOM 0 HB2 LEU A 16 1.526 -2.829 3.444 1.00 42.23 H new ATOM 0 HB3 LEU A 16 2.533 -1.750 4.388 1.00 42.23 H new ATOM 0 HG LEU A 16 4.368 -3.536 3.313 1.00 31.52 H new ATOM 0 HD11 LEU A 16 3.863 -3.576 0.901 1.00 73.25 H new ATOM 0 HD12 LEU A 16 2.656 -4.483 1.843 1.00 73.25 H new ATOM 0 HD13 LEU A 16 2.268 -2.859 1.228 1.00 73.25 H new ATOM 0 HD21 LEU A 16 5.014 -1.630 1.890 1.00 42.01 H new ATOM 0 HD22 LEU A 16 3.462 -0.838 2.254 1.00 42.01 H new ATOM 0 HD23 LEU A 16 4.646 -1.116 3.553 1.00 42.01 H new ATOM 220 N THR A 17 0.775 -3.467 6.761 1.00 65.54 N ATOM 221 CA THR A 17 -0.548 -3.633 7.351 1.00 51.22 C ATOM 222 C THR A 17 -1.644 -3.329 6.337 1.00 0.11 C ATOM 223 O THR A 17 -1.648 -2.269 5.711 1.00 12.33 O ATOM 224 CB THR A 17 -0.733 -2.722 8.580 1.00 3.04 C ATOM 225 OG1 THR A 17 0.236 -3.047 9.582 1.00 13.15 O ATOM 226 CG2 THR A 17 -2.133 -2.869 9.156 1.00 3.24 C ATOM 0 H THR A 17 1.415 -2.896 7.314 1.00 65.54 H new ATOM 0 HA THR A 17 -0.626 -4.674 7.665 1.00 51.22 H new ATOM 0 HB THR A 17 -0.594 -1.689 8.262 1.00 3.04 H new ATOM 0 HG1 THR A 17 0.112 -2.462 10.359 1.00 13.15 H new ATOM 0 HG21 THR A 17 -2.240 -2.217 10.023 1.00 3.24 H new ATOM 0 HG22 THR A 17 -2.868 -2.592 8.400 1.00 3.24 H new ATOM 0 HG23 THR A 17 -2.295 -3.904 9.458 1.00 3.24 H new ATOM 234 N LEU A 18 -2.574 -4.265 6.180 1.00 63.20 N ATOM 235 CA LEU A 18 -3.678 -4.097 5.241 1.00 43.04 C ATOM 236 C LEU A 18 -4.630 -3.001 5.711 1.00 13.22 C ATOM 237 O LEU A 18 -5.756 -3.278 6.127 1.00 13.34 O ATOM 238 CB LEU A 18 -4.439 -5.413 5.077 1.00 54.23 C ATOM 239 CG LEU A 18 -5.076 -5.655 3.708 1.00 3.40 C ATOM 240 CD1 LEU A 18 -6.459 -6.267 3.863 1.00 51.14 C ATOM 241 CD2 LEU A 18 -5.151 -4.356 2.919 1.00 44.33 C ATOM 0 H LEU A 18 -2.586 -5.148 6.691 1.00 63.20 H new ATOM 0 HA LEU A 18 -3.262 -3.803 4.278 1.00 43.04 H new ATOM 0 HB2 LEU A 18 -3.754 -6.234 5.287 1.00 54.23 H new ATOM 0 HB3 LEU A 18 -5.224 -5.452 5.832 1.00 54.23 H new ATOM 0 HG LEU A 18 -4.451 -6.357 3.156 1.00 3.40 H new ATOM 0 HD11 LEU A 18 -6.896 -6.432 2.878 1.00 51.14 H new ATOM 0 HD12 LEU A 18 -6.379 -7.219 4.388 1.00 51.14 H new ATOM 0 HD13 LEU A 18 -7.095 -5.590 4.434 1.00 51.14 H new ATOM 0 HD21 LEU A 18 -5.607 -4.546 1.947 1.00 44.33 H new ATOM 0 HD22 LEU A 18 -5.754 -3.632 3.467 1.00 44.33 H new ATOM 0 HD23 LEU A 18 -4.146 -3.958 2.777 1.00 44.33 H new ATOM 252 N LEU A 19 -4.171 -1.756 5.641 1.00 23.24 N ATOM 253 CA LEU A 19 -4.983 -0.618 6.057 1.00 1.44 C ATOM 254 C LEU A 19 -6.290 -0.565 5.272 1.00 33.52 C ATOM 255 O LEU A 19 -6.569 -1.439 4.452 1.00 54.44 O ATOM 256 CB LEU A 19 -4.205 0.686 5.862 1.00 31.10 C ATOM 257 CG LEU A 19 -3.440 1.199 7.082 1.00 44.41 C ATOM 258 CD1 LEU A 19 -2.578 0.095 7.674 1.00 45.24 C ATOM 259 CD2 LEU A 19 -2.587 2.402 6.708 1.00 51.42 C ATOM 0 H LEU A 19 -3.242 -1.509 5.300 1.00 23.24 H new ATOM 0 HA LEU A 19 -5.220 -0.739 7.114 1.00 1.44 H new ATOM 0 HB2 LEU A 19 -3.496 0.544 5.047 1.00 31.10 H new ATOM 0 HB3 LEU A 19 -4.905 1.459 5.545 1.00 31.10 H new ATOM 0 HG LEU A 19 -4.162 1.511 7.836 1.00 44.41 H new ATOM 0 HD11 LEU A 19 -2.041 0.478 8.541 1.00 45.24 H new ATOM 0 HD12 LEU A 19 -3.212 -0.738 7.979 1.00 45.24 H new ATOM 0 HD13 LEU A 19 -1.863 -0.248 6.927 1.00 45.24 H new ATOM 0 HD21 LEU A 19 -2.049 2.754 7.588 1.00 51.42 H new ATOM 0 HD22 LEU A 19 -1.872 2.115 5.937 1.00 51.42 H new ATOM 0 HD23 LEU A 19 -3.228 3.199 6.331 1.00 51.42 H new ATOM 270 N ASN A 20 -7.087 0.467 5.528 1.00 42.44 N ATOM 271 CA ASN A 20 -8.364 0.635 4.845 1.00 30.32 C ATOM 272 C ASN A 20 -8.226 0.342 3.354 1.00 31.22 C ATOM 273 O ASN A 20 -7.649 1.132 2.607 1.00 22.12 O ATOM 274 CB ASN A 20 -8.894 2.055 5.050 1.00 14.54 C ATOM 275 CG ASN A 20 -10.230 2.077 5.765 1.00 10.10 C ATOM 276 OD1 ASN A 20 -10.289 2.085 6.995 1.00 52.21 O ATOM 277 ND2 ASN A 20 -11.313 2.086 4.996 1.00 12.54 N ATOM 0 H ASN A 20 -6.871 1.200 6.204 1.00 42.44 H new ATOM 0 HA ASN A 20 -9.072 -0.075 5.273 1.00 30.32 H new ATOM 0 HB2 ASN A 20 -8.168 2.631 5.624 1.00 14.54 H new ATOM 0 HB3 ASN A 20 -8.995 2.545 4.082 1.00 14.54 H new ATOM 0 HD21 ASN A 20 -12.240 2.100 5.421 1.00 12.54 H new ATOM 0 HD22 ASN A 20 -11.217 2.079 3.981 1.00 12.54 H new ATOM 283 N SER A 21 -8.760 -0.799 2.929 1.00 24.33 N ATOM 284 CA SER A 21 -8.694 -1.198 1.528 1.00 64.22 C ATOM 285 C SER A 21 -9.989 -0.848 0.802 1.00 12.41 C ATOM 286 O SER A 21 -10.206 -1.258 -0.339 1.00 22.42 O ATOM 287 CB SER A 21 -8.424 -2.700 1.417 1.00 30.21 C ATOM 288 OG SER A 21 -9.479 -3.360 0.739 1.00 12.43 O ATOM 0 H SER A 21 -9.243 -1.463 3.535 1.00 24.33 H new ATOM 0 HA SER A 21 -7.876 -0.652 1.058 1.00 64.22 H new ATOM 0 HB2 SER A 21 -7.487 -2.866 0.886 1.00 30.21 H new ATOM 0 HB3 SER A 21 -8.305 -3.126 2.413 1.00 30.21 H new ATOM 0 HG SER A 21 -9.111 -3.902 0.010 1.00 12.43 H new ATOM 293 N THR A 22 -10.848 -0.086 1.471 1.00 3.32 N ATOM 294 CA THR A 22 -12.123 0.320 0.892 1.00 60.11 C ATOM 295 C THR A 22 -12.000 0.531 -0.613 1.00 40.15 C ATOM 296 O THR A 22 -12.864 0.110 -1.381 1.00 42.43 O ATOM 297 CB THR A 22 -12.647 1.614 1.540 1.00 2.43 C ATOM 298 OG1 THR A 22 -13.836 2.051 0.871 1.00 24.50 O ATOM 299 CG2 THR A 22 -11.596 2.713 1.483 1.00 40.03 C ATOM 0 H THR A 22 -10.684 0.263 2.415 1.00 3.32 H new ATOM 0 HA THR A 22 -12.830 -0.486 1.086 1.00 60.11 H new ATOM 0 HB THR A 22 -12.874 1.403 2.585 1.00 2.43 H new ATOM 0 HG1 THR A 22 -14.164 2.874 1.290 1.00 24.50 H new ATOM 0 HG21 THR A 22 -11.990 3.617 1.947 1.00 40.03 H new ATOM 0 HG22 THR A 22 -10.703 2.390 2.018 1.00 40.03 H new ATOM 0 HG23 THR A 22 -11.342 2.920 0.443 1.00 40.03 H new ATOM 307 N ASN A 23 -10.920 1.186 -1.027 1.00 23.54 N ATOM 308 CA ASN A 23 -10.685 1.453 -2.442 1.00 54.12 C ATOM 309 C ASN A 23 -10.301 0.174 -3.180 1.00 1.42 C ATOM 310 O ASN A 23 -9.287 -0.453 -2.873 1.00 63.51 O ATOM 311 CB ASN A 23 -9.582 2.502 -2.608 1.00 63.43 C ATOM 312 CG ASN A 23 -10.123 3.840 -3.069 1.00 4.32 C ATOM 313 OD1 ASN A 23 -10.084 4.076 -4.375 1.00 33.14 O flip ATOM 314 ND2 ASN A 23 -10.572 4.654 -2.260 1.00 33.45 N flip ATOM 0 H ASN A 23 -10.195 1.541 -0.404 1.00 23.54 H new ATOM 0 HA ASN A 23 -11.610 1.836 -2.873 1.00 54.12 H new ATOM 0 HB2 ASN A 23 -9.061 2.631 -1.659 1.00 63.43 H new ATOM 0 HB3 ASN A 23 -8.847 2.142 -3.329 1.00 63.43 H new ATOM 0 HD21 ASN A 23 -10.583 4.431 -1.265 1.00 33.45 H new ATOM 0 HD22 ASN A 23 -10.933 5.551 -2.586 1.00 33.45 H new ATOM 320 N LYS A 24 -11.117 -0.206 -4.157 1.00 10.40 N ATOM 321 CA LYS A 24 -10.864 -1.408 -4.943 1.00 42.33 C ATOM 322 C LYS A 24 -9.636 -1.229 -5.831 1.00 3.21 C ATOM 323 O LYS A 24 -8.864 -2.166 -6.034 1.00 25.44 O ATOM 324 CB LYS A 24 -12.083 -1.747 -5.802 1.00 4.44 C ATOM 325 CG LYS A 24 -12.746 -3.061 -5.427 1.00 22.53 C ATOM 326 CD LYS A 24 -12.913 -3.966 -6.636 1.00 25.01 C ATOM 327 CE LYS A 24 -13.393 -5.351 -6.232 1.00 25.55 C ATOM 328 NZ LYS A 24 -14.761 -5.637 -6.750 1.00 14.34 N ATOM 0 H LYS A 24 -11.960 0.302 -4.424 1.00 10.40 H new ATOM 0 HA LYS A 24 -10.675 -2.230 -4.253 1.00 42.33 H new ATOM 0 HB2 LYS A 24 -12.814 -0.943 -5.714 1.00 4.44 H new ATOM 0 HB3 LYS A 24 -11.779 -1.789 -6.848 1.00 4.44 H new ATOM 0 HG2 LYS A 24 -12.147 -3.569 -4.671 1.00 22.53 H new ATOM 0 HG3 LYS A 24 -13.721 -2.864 -4.982 1.00 22.53 H new ATOM 0 HD2 LYS A 24 -13.626 -3.521 -7.330 1.00 25.01 H new ATOM 0 HD3 LYS A 24 -11.963 -4.048 -7.164 1.00 25.01 H new ATOM 0 HE2 LYS A 24 -12.698 -6.101 -6.609 1.00 25.55 H new ATOM 0 HE3 LYS A 24 -13.392 -5.433 -5.145 1.00 25.55 H new ATOM 0 HZ1 LYS A 24 -15.052 -6.590 -6.453 1.00 14.34 H new ATOM 0 HZ2 LYS A 24 -15.430 -4.937 -6.370 1.00 14.34 H new ATOM 0 HZ3 LYS A 24 -14.757 -5.584 -7.789 1.00 14.34 H new ATOM 338 N ASP A 25 -9.462 -0.021 -6.355 1.00 73.23 N ATOM 339 CA ASP A 25 -8.327 0.281 -7.219 1.00 43.13 C ATOM 340 C ASP A 25 -7.135 0.766 -6.400 1.00 51.22 C ATOM 341 O ASP A 25 -6.072 1.061 -6.947 1.00 22.54 O ATOM 342 CB ASP A 25 -8.714 1.337 -8.255 1.00 4.21 C ATOM 343 CG ASP A 25 -10.001 0.994 -8.978 1.00 2.54 C ATOM 344 OD1 ASP A 25 -9.972 0.097 -9.845 1.00 22.35 O ATOM 345 OD2 ASP A 25 -11.037 1.625 -8.679 1.00 73.44 O ATOM 0 H ASP A 25 -10.092 0.765 -6.197 1.00 73.23 H new ATOM 0 HA ASP A 25 -8.041 -0.635 -7.736 1.00 43.13 H new ATOM 0 HB2 ASP A 25 -8.824 2.303 -7.762 1.00 4.21 H new ATOM 0 HB3 ASP A 25 -7.909 1.441 -8.982 1.00 4.21 H new ATOM 349 N TRP A 26 -7.320 0.848 -5.088 1.00 51.40 N ATOM 350 CA TRP A 26 -6.259 1.300 -4.194 1.00 61.24 C ATOM 351 C TRP A 26 -6.441 0.717 -2.796 1.00 1.12 C ATOM 352 O TRP A 26 -7.468 0.936 -2.152 1.00 73.32 O ATOM 353 CB TRP A 26 -6.238 2.827 -4.125 1.00 53.41 C ATOM 354 CG TRP A 26 -5.806 3.473 -5.406 1.00 51.23 C ATOM 355 CD1 TRP A 26 -6.564 3.662 -6.525 1.00 62.11 C ATOM 356 CD2 TRP A 26 -4.513 4.014 -5.699 1.00 0.34 C ATOM 357 NE1 TRP A 26 -5.821 4.287 -7.497 1.00 2.15 N ATOM 358 CE2 TRP A 26 -4.560 4.516 -7.015 1.00 72.42 C ATOM 359 CE3 TRP A 26 -3.321 4.126 -4.979 1.00 70.13 C ATOM 360 CZ2 TRP A 26 -3.460 5.116 -7.623 1.00 24.20 C ATOM 361 CZ3 TRP A 26 -2.231 4.723 -5.583 1.00 73.42 C ATOM 362 CH2 TRP A 26 -2.306 5.213 -6.894 1.00 73.41 C ATOM 0 H TRP A 26 -8.193 0.608 -4.619 1.00 51.40 H new ATOM 0 HA TRP A 26 -5.307 0.949 -4.593 1.00 61.24 H new ATOM 0 HB2 TRP A 26 -7.234 3.186 -3.863 1.00 53.41 H new ATOM 0 HB3 TRP A 26 -5.566 3.138 -3.325 1.00 53.41 H new ATOM 0 HD1 TRP A 26 -7.597 3.364 -6.631 1.00 62.11 H new ATOM 0 HE1 TRP A 26 -6.155 4.540 -8.427 1.00 2.15 H new ATOM 0 HE3 TRP A 26 -3.253 3.752 -3.968 1.00 70.13 H new ATOM 0 HZ2 TRP A 26 -3.516 5.491 -8.634 1.00 24.20 H new ATOM 0 HZ3 TRP A 26 -1.305 4.814 -5.035 1.00 73.42 H new ATOM 0 HH2 TRP A 26 -1.437 5.676 -7.337 1.00 73.41 H new ATOM 372 N TRP A 27 -5.440 -0.023 -2.332 1.00 5.34 N ATOM 373 CA TRP A 27 -5.491 -0.635 -1.011 1.00 65.24 C ATOM 374 C TRP A 27 -4.561 0.084 -0.041 1.00 54.42 C ATOM 375 O TRP A 27 -3.338 -0.031 -0.136 1.00 65.01 O ATOM 376 CB TRP A 27 -5.114 -2.114 -1.096 1.00 73.20 C ATOM 377 CG TRP A 27 -6.300 -3.026 -1.195 1.00 3.15 C ATOM 378 CD1 TRP A 27 -7.589 -2.666 -1.469 1.00 42.20 C ATOM 379 CD2 TRP A 27 -6.307 -4.447 -1.018 1.00 15.45 C ATOM 380 NE1 TRP A 27 -8.396 -3.778 -1.474 1.00 4.12 N ATOM 381 CE2 TRP A 27 -7.633 -4.883 -1.201 1.00 25.20 C ATOM 382 CE3 TRP A 27 -5.320 -5.392 -0.727 1.00 63.15 C ATOM 383 CZ2 TRP A 27 -7.997 -6.223 -1.100 1.00 41.31 C ATOM 384 CZ3 TRP A 27 -5.682 -6.722 -0.626 1.00 24.54 C ATOM 385 CH2 TRP A 27 -7.011 -7.127 -0.813 1.00 60.33 C ATOM 0 H TRP A 27 -4.583 -0.213 -2.852 1.00 5.34 H new ATOM 0 HA TRP A 27 -6.512 -0.548 -0.638 1.00 65.24 H new ATOM 0 HB2 TRP A 27 -4.473 -2.269 -1.964 1.00 73.20 H new ATOM 0 HB3 TRP A 27 -4.530 -2.384 -0.216 1.00 73.20 H new ATOM 0 HD1 TRP A 27 -7.924 -1.656 -1.654 1.00 42.20 H new ATOM 0 HE1 TRP A 27 -9.400 -3.781 -1.652 1.00 4.12 H new ATOM 0 HE3 TRP A 27 -4.293 -5.089 -0.584 1.00 63.15 H new ATOM 0 HZ2 TRP A 27 -9.020 -6.537 -1.243 1.00 41.31 H new ATOM 0 HZ3 TRP A 27 -4.928 -7.462 -0.399 1.00 24.54 H new ATOM 0 HH2 TRP A 27 -7.262 -8.174 -0.729 1.00 60.33 H new ATOM 395 N LYS A 28 -5.145 0.828 0.893 1.00 74.33 N ATOM 396 CA LYS A 28 -4.368 1.566 1.882 1.00 72.42 C ATOM 397 C LYS A 28 -3.501 0.620 2.708 1.00 64.25 C ATOM 398 O LYS A 28 -3.968 -0.421 3.172 1.00 4.23 O ATOM 399 CB LYS A 28 -5.298 2.359 2.804 1.00 31.43 C ATOM 400 CG LYS A 28 -4.636 3.568 3.440 1.00 2.22 C ATOM 401 CD LYS A 28 -5.401 4.043 4.664 1.00 0.14 C ATOM 402 CE LYS A 28 -5.139 5.514 4.949 1.00 3.03 C ATOM 403 NZ LYS A 28 -6.233 6.125 5.755 1.00 11.14 N ATOM 0 H LYS A 28 -6.155 0.936 0.986 1.00 74.33 H new ATOM 0 HA LYS A 28 -3.715 2.259 1.351 1.00 72.42 H new ATOM 0 HB2 LYS A 28 -6.167 2.689 2.234 1.00 31.43 H new ATOM 0 HB3 LYS A 28 -5.665 1.700 3.591 1.00 31.43 H new ATOM 0 HG2 LYS A 28 -3.614 3.317 3.723 1.00 2.22 H new ATOM 0 HG3 LYS A 28 -4.576 4.376 2.711 1.00 2.22 H new ATOM 0 HD2 LYS A 28 -6.469 3.886 4.511 1.00 0.14 H new ATOM 0 HD3 LYS A 28 -5.112 3.447 5.529 1.00 0.14 H new ATOM 0 HE2 LYS A 28 -4.194 5.618 5.481 1.00 3.03 H new ATOM 0 HE3 LYS A 28 -5.036 6.054 4.008 1.00 3.03 H new ATOM 0 HZ1 LYS A 28 -6.018 7.128 5.928 1.00 11.14 H new ATOM 0 HZ2 LYS A 28 -7.131 6.048 5.236 1.00 11.14 H new ATOM 0 HZ3 LYS A 28 -6.315 5.626 6.664 1.00 11.14 H new ATOM 413 N VAL A 29 -2.238 0.990 2.891 1.00 10.24 N ATOM 414 CA VAL A 29 -1.307 0.177 3.663 1.00 75.15 C ATOM 415 C VAL A 29 -0.322 1.050 4.433 1.00 61.42 C ATOM 416 O VAL A 29 0.164 2.056 3.918 1.00 21.31 O ATOM 417 CB VAL A 29 -0.520 -0.790 2.758 1.00 4.03 C ATOM 418 CG1 VAL A 29 -1.472 -1.632 1.922 1.00 63.05 C ATOM 419 CG2 VAL A 29 0.444 -0.021 1.870 1.00 11.43 C ATOM 0 H VAL A 29 -1.836 1.849 2.515 1.00 10.24 H new ATOM 0 HA VAL A 29 -1.903 -0.402 4.368 1.00 75.15 H new ATOM 0 HB VAL A 29 0.061 -1.461 3.390 1.00 4.03 H new ATOM 0 HG11 VAL A 29 -0.899 -2.309 1.289 1.00 63.05 H new ATOM 0 HG12 VAL A 29 -2.119 -2.211 2.580 1.00 63.05 H new ATOM 0 HG13 VAL A 29 -2.081 -0.980 1.297 1.00 63.05 H new ATOM 0 HG21 VAL A 29 0.992 -0.719 1.237 1.00 11.43 H new ATOM 0 HG22 VAL A 29 -0.114 0.675 1.244 1.00 11.43 H new ATOM 0 HG23 VAL A 29 1.147 0.534 2.491 1.00 11.43 H new ATOM 429 N GLU A 30 -0.032 0.656 5.669 1.00 53.53 N ATOM 430 CA GLU A 30 0.897 1.404 6.510 1.00 61.44 C ATOM 431 C GLU A 30 2.277 0.754 6.508 1.00 11.30 C ATOM 432 O GLU A 30 2.432 -0.401 6.110 1.00 40.40 O ATOM 433 CB GLU A 30 0.365 1.492 7.942 1.00 3.03 C ATOM 434 CG GLU A 30 1.318 2.178 8.905 1.00 75.23 C ATOM 435 CD GLU A 30 0.701 2.414 10.269 1.00 44.12 C ATOM 436 OE1 GLU A 30 0.344 1.421 10.938 1.00 34.42 O ATOM 437 OE2 GLU A 30 0.575 3.590 10.669 1.00 32.24 O ATOM 0 H GLU A 30 -0.426 -0.175 6.110 1.00 53.53 H new ATOM 0 HA GLU A 30 0.988 2.410 6.101 1.00 61.44 H new ATOM 0 HB2 GLU A 30 -0.582 2.031 7.936 1.00 3.03 H new ATOM 0 HB3 GLU A 30 0.157 0.486 8.306 1.00 3.03 H new ATOM 0 HG2 GLU A 30 2.215 1.570 9.017 1.00 75.23 H new ATOM 0 HG3 GLU A 30 1.631 3.133 8.482 1.00 75.23 H new ATOM 442 N VAL A 31 3.279 1.505 6.955 1.00 42.40 N ATOM 443 CA VAL A 31 4.646 1.003 7.005 1.00 53.42 C ATOM 444 C VAL A 31 5.192 1.037 8.429 1.00 50.22 C ATOM 445 O VAL A 31 5.811 0.079 8.890 1.00 23.21 O ATOM 446 CB VAL A 31 5.579 1.821 6.091 1.00 42.34 C ATOM 447 CG1 VAL A 31 6.098 0.960 4.951 1.00 22.23 C ATOM 448 CG2 VAL A 31 4.857 3.049 5.557 1.00 2.13 C ATOM 0 H VAL A 31 3.169 2.463 7.287 1.00 42.40 H new ATOM 0 HA VAL A 31 4.617 -0.028 6.653 1.00 53.42 H new ATOM 0 HB VAL A 31 6.433 2.157 6.679 1.00 42.34 H new ATOM 0 HG11 VAL A 31 6.755 1.554 4.316 1.00 22.23 H new ATOM 0 HG12 VAL A 31 6.653 0.115 5.357 1.00 22.23 H new ATOM 0 HG13 VAL A 31 5.258 0.593 4.361 1.00 22.23 H new ATOM 0 HG21 VAL A 31 5.530 3.616 4.913 1.00 2.13 H new ATOM 0 HG22 VAL A 31 3.984 2.737 4.984 1.00 2.13 H new ATOM 0 HG23 VAL A 31 4.539 3.675 6.391 1.00 2.13 H new ATOM 458 N ASN A 32 4.957 2.148 9.120 1.00 73.54 N ATOM 459 CA ASN A 32 5.425 2.306 10.492 1.00 51.34 C ATOM 460 C ASN A 32 4.999 3.657 11.060 1.00 31.31 C ATOM 461 O ASN A 32 4.785 3.797 12.264 1.00 72.23 O ATOM 462 CB ASN A 32 6.948 2.173 10.553 1.00 13.00 C ATOM 463 CG ASN A 32 7.656 3.473 10.222 1.00 2.24 C ATOM 464 OD1 ASN A 32 8.020 4.239 11.114 1.00 30.11 O ATOM 465 ND2 ASN A 32 7.853 3.728 8.933 1.00 70.45 N ATOM 0 H ASN A 32 4.446 2.951 8.753 1.00 73.54 H new ATOM 0 HA ASN A 32 4.974 1.519 11.096 1.00 51.34 H new ATOM 0 HB2 ASN A 32 7.242 1.846 11.551 1.00 13.00 H new ATOM 0 HB3 ASN A 32 7.271 1.399 9.856 1.00 13.00 H new ATOM 0 HD21 ASN A 32 8.323 4.588 8.649 1.00 70.45 H new ATOM 0 HD22 ASN A 32 7.534 3.064 8.227 1.00 70.45 H new ATOM 471 N ASP A 33 4.876 4.648 10.184 1.00 72.01 N ATOM 472 CA ASP A 33 4.474 5.988 10.596 1.00 20.32 C ATOM 473 C ASP A 33 3.668 6.675 9.498 1.00 61.13 C ATOM 474 O ASP A 33 2.733 7.427 9.779 1.00 73.41 O ATOM 475 CB ASP A 33 5.703 6.828 10.945 1.00 71.13 C ATOM 476 CG ASP A 33 5.607 7.450 12.324 1.00 61.24 C ATOM 477 OD1 ASP A 33 5.026 6.809 13.224 1.00 4.00 O ATOM 478 OD2 ASP A 33 6.113 8.578 12.504 1.00 23.34 O ATOM 0 H ASP A 33 5.049 4.549 9.184 1.00 72.01 H new ATOM 0 HA ASP A 33 3.844 5.896 11.481 1.00 20.32 H new ATOM 0 HB2 ASP A 33 6.594 6.202 10.893 1.00 71.13 H new ATOM 0 HB3 ASP A 33 5.824 7.616 10.202 1.00 71.13 H new ATOM 482 N ARG A 34 4.036 6.413 8.249 1.00 70.42 N ATOM 483 CA ARG A 34 3.349 7.008 7.109 1.00 63.34 C ATOM 484 C ARG A 34 2.460 5.981 6.413 1.00 65.12 C ATOM 485 O ARG A 34 2.938 4.947 5.948 1.00 30.41 O ATOM 486 CB ARG A 34 4.363 7.577 6.115 1.00 43.43 C ATOM 487 CG ARG A 34 5.599 8.165 6.776 1.00 3.11 C ATOM 488 CD ARG A 34 6.778 8.204 5.816 1.00 41.03 C ATOM 489 NE ARG A 34 8.051 8.337 6.519 1.00 73.11 N ATOM 490 CZ ARG A 34 9.221 7.990 5.993 1.00 24.03 C ATOM 491 NH1 ARG A 34 9.277 7.492 4.765 1.00 74.31 N ATOM 492 NH2 ARG A 34 10.336 8.142 6.695 1.00 71.31 N ATOM 0 H ARG A 34 4.806 5.792 8.000 1.00 70.42 H new ATOM 0 HA ARG A 34 2.719 7.817 7.479 1.00 63.34 H new ATOM 0 HB2 ARG A 34 4.669 6.787 5.429 1.00 43.43 H new ATOM 0 HB3 ARG A 34 3.879 8.349 5.517 1.00 43.43 H new ATOM 0 HG2 ARG A 34 5.380 9.174 7.127 1.00 3.11 H new ATOM 0 HG3 ARG A 34 5.861 7.572 7.652 1.00 3.11 H new ATOM 0 HD2 ARG A 34 6.788 7.294 5.217 1.00 41.03 H new ATOM 0 HD3 ARG A 34 6.656 9.039 5.126 1.00 41.03 H new ATOM 0 HE ARG A 34 8.042 8.717 7.466 1.00 73.11 H new ATOM 0 HH11 ARG A 34 8.421 7.375 4.223 1.00 74.31 H new ATOM 0 HH12 ARG A 34 10.176 7.226 4.363 1.00 74.31 H new ATOM 0 HH21 ARG A 34 10.296 8.525 7.639 1.00 71.31 H new ATOM 0 HH22 ARG A 34 11.234 7.875 6.291 1.00 71.31 H new ATOM 503 N GLN A 35 1.165 6.274 6.348 1.00 22.22 N ATOM 504 CA GLN A 35 0.210 5.375 5.711 1.00 4.53 C ATOM 505 C GLN A 35 -0.641 6.122 4.689 1.00 21.32 C ATOM 506 O GLN A 35 -1.208 7.172 4.986 1.00 71.15 O ATOM 507 CB GLN A 35 -0.689 4.724 6.763 1.00 24.44 C ATOM 508 CG GLN A 35 -0.451 5.241 8.172 1.00 11.40 C ATOM 509 CD GLN A 35 -1.653 5.050 9.075 1.00 72.12 C ATOM 510 OE1 GLN A 35 -2.787 4.951 8.606 1.00 11.33 O ATOM 511 NE2 GLN A 35 -1.411 4.996 10.380 1.00 62.31 N ATOM 0 H GLN A 35 0.753 7.126 6.728 1.00 22.22 H new ATOM 0 HA GLN A 35 0.771 4.598 5.192 1.00 4.53 H new ATOM 0 HB2 GLN A 35 -1.731 4.895 6.494 1.00 24.44 H new ATOM 0 HB3 GLN A 35 -0.529 3.646 6.749 1.00 24.44 H new ATOM 0 HG2 GLN A 35 0.408 4.727 8.603 1.00 11.40 H new ATOM 0 HG3 GLN A 35 -0.199 6.301 8.128 1.00 11.40 H new ATOM 0 HE21 GLN A 35 -0.455 5.083 10.725 1.00 62.31 H new ATOM 0 HE22 GLN A 35 -2.181 4.868 11.037 1.00 62.31 H new ATOM 518 N GLY A 36 -0.725 5.571 3.481 1.00 10.54 N ATOM 519 CA GLY A 36 -1.508 6.199 2.432 1.00 64.12 C ATOM 520 C GLY A 36 -2.190 5.186 1.534 1.00 12.13 C ATOM 521 O GLY A 36 -2.189 3.990 1.821 1.00 61.25 O ATOM 0 H GLY A 36 -0.265 4.702 3.211 1.00 10.54 H new ATOM 0 HA2 GLY A 36 -2.261 6.846 2.882 1.00 64.12 H new ATOM 0 HA3 GLY A 36 -0.859 6.835 1.830 1.00 64.12 H new ATOM 525 N PHE A 37 -2.775 5.666 0.441 1.00 43.42 N ATOM 526 CA PHE A 37 -3.465 4.796 -0.502 1.00 64.50 C ATOM 527 C PHE A 37 -2.525 4.344 -1.615 1.00 70.21 C ATOM 528 O PHE A 37 -1.919 5.166 -2.303 1.00 35.31 O ATOM 529 CB PHE A 37 -4.675 5.515 -1.102 1.00 12.01 C ATOM 530 CG PHE A 37 -5.803 5.706 -0.129 1.00 73.54 C ATOM 531 CD1 PHE A 37 -5.871 6.843 0.659 1.00 25.35 C ATOM 532 CD2 PHE A 37 -6.795 4.746 -0.002 1.00 50.11 C ATOM 533 CE1 PHE A 37 -6.909 7.021 1.555 1.00 52.25 C ATOM 534 CE2 PHE A 37 -7.835 4.919 0.892 1.00 13.52 C ATOM 535 CZ PHE A 37 -7.890 6.058 1.672 1.00 63.42 C ATOM 0 H PHE A 37 -2.784 6.654 0.187 1.00 43.42 H new ATOM 0 HA PHE A 37 -3.807 3.915 0.041 1.00 64.50 H new ATOM 0 HB2 PHE A 37 -4.360 6.489 -1.476 1.00 12.01 H new ATOM 0 HB3 PHE A 37 -5.037 4.947 -1.959 1.00 12.01 H new ATOM 0 HD1 PHE A 37 -5.105 7.599 0.573 1.00 25.35 H new ATOM 0 HD2 PHE A 37 -6.755 3.853 -0.608 1.00 50.11 H new ATOM 0 HE1 PHE A 37 -6.952 7.913 2.163 1.00 52.25 H new ATOM 0 HE2 PHE A 37 -8.603 4.165 0.981 1.00 13.52 H new ATOM 0 HZ PHE A 37 -8.700 6.194 2.373 1.00 63.42 H new ATOM 544 N VAL A 38 -2.407 3.031 -1.785 1.00 15.45 N ATOM 545 CA VAL A 38 -1.540 2.469 -2.814 1.00 20.41 C ATOM 546 C VAL A 38 -2.315 1.531 -3.733 1.00 54.32 C ATOM 547 O VAL A 38 -3.366 1.000 -3.375 1.00 30.44 O ATOM 548 CB VAL A 38 -0.357 1.700 -2.194 1.00 2.54 C ATOM 549 CG1 VAL A 38 0.776 2.655 -1.848 1.00 34.12 C ATOM 550 CG2 VAL A 38 -0.809 0.929 -0.964 1.00 25.34 C ATOM 0 H VAL A 38 -2.901 2.337 -1.224 1.00 15.45 H new ATOM 0 HA VAL A 38 -1.155 3.307 -3.395 1.00 20.41 H new ATOM 0 HB VAL A 38 0.013 0.984 -2.927 1.00 2.54 H new ATOM 0 HG11 VAL A 38 1.603 2.095 -1.411 1.00 34.12 H new ATOM 0 HG12 VAL A 38 1.116 3.159 -2.753 1.00 34.12 H new ATOM 0 HG13 VAL A 38 0.421 3.396 -1.132 1.00 34.12 H new ATOM 0 HG21 VAL A 38 0.039 0.392 -0.539 1.00 25.34 H new ATOM 0 HG22 VAL A 38 -1.206 1.624 -0.224 1.00 25.34 H new ATOM 0 HG23 VAL A 38 -1.585 0.217 -1.246 1.00 25.34 H new ATOM 560 N PRO A 39 -1.785 1.319 -4.948 1.00 44.52 N ATOM 561 CA PRO A 39 -2.410 0.444 -5.942 1.00 10.24 C ATOM 562 C PRO A 39 -2.338 -1.027 -5.548 1.00 50.45 C ATOM 563 O PRO A 39 -1.252 -1.584 -5.390 1.00 55.15 O ATOM 564 CB PRO A 39 -1.586 0.700 -7.208 1.00 54.44 C ATOM 565 CG PRO A 39 -0.260 1.159 -6.709 1.00 54.22 C ATOM 566 CD PRO A 39 -0.534 1.920 -5.441 1.00 13.31 C ATOM 0 HA PRO A 39 -3.473 0.654 -6.059 1.00 10.24 H new ATOM 0 HB2 PRO A 39 -1.492 -0.205 -7.809 1.00 54.44 H new ATOM 0 HB3 PRO A 39 -2.054 1.455 -7.840 1.00 54.44 H new ATOM 0 HG2 PRO A 39 0.400 0.312 -6.521 1.00 54.22 H new ATOM 0 HG3 PRO A 39 0.236 1.792 -7.445 1.00 54.22 H new ATOM 0 HD2 PRO A 39 0.277 1.808 -4.721 1.00 13.31 H new ATOM 0 HD3 PRO A 39 -0.648 2.988 -5.629 1.00 13.31 H new ATOM 571 N ALA A 40 -3.501 -1.650 -5.391 1.00 74.04 N ATOM 572 CA ALA A 40 -3.568 -3.057 -5.017 1.00 61.44 C ATOM 573 C ALA A 40 -2.733 -3.917 -5.960 1.00 21.15 C ATOM 574 O ALA A 40 -2.395 -5.056 -5.640 1.00 34.40 O ATOM 575 CB ALA A 40 -5.013 -3.532 -5.006 1.00 22.54 C ATOM 0 H ALA A 40 -4.409 -1.203 -5.517 1.00 74.04 H new ATOM 0 HA ALA A 40 -3.156 -3.160 -4.013 1.00 61.44 H new ATOM 0 HB1 ALA A 40 -5.048 -4.585 -4.725 1.00 22.54 H new ATOM 0 HB2 ALA A 40 -5.583 -2.945 -4.286 1.00 22.54 H new ATOM 0 HB3 ALA A 40 -5.445 -3.407 -5.999 1.00 22.54 H new ATOM 581 N ALA A 41 -2.407 -3.364 -7.123 1.00 12.04 N ATOM 582 CA ALA A 41 -1.611 -4.080 -8.112 1.00 33.23 C ATOM 583 C ALA A 41 -0.172 -4.257 -7.636 1.00 2.14 C ATOM 584 O ALA A 41 0.507 -5.209 -8.023 1.00 2.52 O ATOM 585 CB ALA A 41 -1.640 -3.347 -9.445 1.00 3.22 C ATOM 0 H ALA A 41 -2.682 -2.423 -7.404 1.00 12.04 H new ATOM 0 HA ALA A 41 -2.047 -5.070 -8.244 1.00 33.23 H new ATOM 0 HB1 ALA A 41 -1.041 -3.893 -10.174 1.00 3.22 H new ATOM 0 HB2 ALA A 41 -2.668 -3.277 -9.800 1.00 3.22 H new ATOM 0 HB3 ALA A 41 -1.231 -2.345 -9.318 1.00 3.22 H new ATOM 591 N TYR A 42 0.285 -3.335 -6.796 1.00 73.33 N ATOM 592 CA TYR A 42 1.643 -3.389 -6.270 1.00 41.42 C ATOM 593 C TYR A 42 1.693 -4.186 -4.970 1.00 54.55 C ATOM 594 O TYR A 42 2.770 -4.500 -4.461 1.00 3.21 O ATOM 595 CB TYR A 42 2.178 -1.974 -6.035 1.00 65.34 C ATOM 596 CG TYR A 42 2.489 -1.226 -7.310 1.00 5.14 C ATOM 597 CD1 TYR A 42 1.553 -1.136 -8.333 1.00 62.20 C ATOM 598 CD2 TYR A 42 3.720 -0.608 -7.494 1.00 23.02 C ATOM 599 CE1 TYR A 42 1.833 -0.454 -9.501 1.00 23.02 C ATOM 600 CE2 TYR A 42 4.008 0.078 -8.658 1.00 53.44 C ATOM 601 CZ TYR A 42 3.062 0.153 -9.658 1.00 61.22 C ATOM 602 OH TYR A 42 3.346 0.834 -10.820 1.00 60.23 O ATOM 0 H TYR A 42 -0.265 -2.542 -6.465 1.00 73.33 H new ATOM 0 HA TYR A 42 2.271 -3.890 -7.006 1.00 41.42 H new ATOM 0 HB2 TYR A 42 1.444 -1.408 -5.461 1.00 65.34 H new ATOM 0 HB3 TYR A 42 3.082 -2.032 -5.428 1.00 65.34 H new ATOM 0 HD1 TYR A 42 0.589 -1.608 -8.213 1.00 62.20 H new ATOM 0 HD2 TYR A 42 4.464 -0.665 -6.714 1.00 23.02 H new ATOM 0 HE1 TYR A 42 1.094 -0.396 -10.287 1.00 23.02 H new ATOM 0 HE2 TYR A 42 4.970 0.553 -8.784 1.00 53.44 H new ATOM 0 HH TYR A 42 3.632 0.199 -11.510 1.00 60.23 H new ATOM 611 N VAL A 43 0.520 -4.510 -4.437 1.00 62.00 N ATOM 612 CA VAL A 43 0.427 -5.272 -3.197 1.00 42.15 C ATOM 613 C VAL A 43 -0.476 -6.488 -3.365 1.00 3.12 C ATOM 614 O VAL A 43 -1.102 -6.671 -4.410 1.00 61.43 O ATOM 615 CB VAL A 43 -0.109 -4.404 -2.043 1.00 22.10 C ATOM 616 CG1 VAL A 43 0.929 -3.375 -1.621 1.00 21.01 C ATOM 617 CG2 VAL A 43 -1.409 -3.725 -2.447 1.00 61.50 C ATOM 0 H VAL A 43 -0.380 -4.257 -4.844 1.00 62.00 H new ATOM 0 HA VAL A 43 1.436 -5.604 -2.954 1.00 42.15 H new ATOM 0 HB VAL A 43 -0.312 -5.051 -1.190 1.00 22.10 H new ATOM 0 HG11 VAL A 43 0.532 -2.771 -0.805 1.00 21.01 H new ATOM 0 HG12 VAL A 43 1.833 -3.885 -1.289 1.00 21.01 H new ATOM 0 HG13 VAL A 43 1.167 -2.730 -2.467 1.00 21.01 H new ATOM 0 HG21 VAL A 43 -1.774 -3.116 -1.620 1.00 61.50 H new ATOM 0 HG22 VAL A 43 -1.233 -3.090 -3.315 1.00 61.50 H new ATOM 0 HG23 VAL A 43 -2.153 -4.482 -2.696 1.00 61.50 H new ATOM 627 N LYS A 44 -0.541 -7.319 -2.330 1.00 55.52 N ATOM 628 CA LYS A 44 -1.368 -8.519 -2.361 1.00 4.32 C ATOM 629 C LYS A 44 -1.420 -9.179 -0.987 1.00 15.13 C ATOM 630 O LYS A 44 -0.391 -9.358 -0.333 1.00 2.04 O ATOM 631 CB LYS A 44 -0.829 -9.509 -3.395 1.00 60.11 C ATOM 632 CG LYS A 44 -1.829 -10.582 -3.789 1.00 63.25 C ATOM 633 CD LYS A 44 -1.191 -11.643 -4.671 1.00 45.52 C ATOM 634 CE LYS A 44 0.134 -12.121 -4.097 1.00 1.30 C ATOM 635 NZ LYS A 44 0.455 -13.510 -4.528 1.00 13.34 N ATOM 0 H LYS A 44 -0.030 -7.183 -1.458 1.00 55.52 H new ATOM 0 HA LYS A 44 -2.379 -8.226 -2.642 1.00 4.32 H new ATOM 0 HB2 LYS A 44 -0.527 -8.961 -4.287 1.00 60.11 H new ATOM 0 HB3 LYS A 44 0.066 -9.987 -2.996 1.00 60.11 H new ATOM 0 HG2 LYS A 44 -2.235 -11.049 -2.892 1.00 63.25 H new ATOM 0 HG3 LYS A 44 -2.666 -10.124 -4.316 1.00 63.25 H new ATOM 0 HD2 LYS A 44 -1.871 -12.489 -4.774 1.00 45.52 H new ATOM 0 HD3 LYS A 44 -1.031 -11.239 -5.671 1.00 45.52 H new ATOM 0 HE2 LYS A 44 0.931 -11.449 -4.414 1.00 1.30 H new ATOM 0 HE3 LYS A 44 0.095 -12.078 -3.009 1.00 1.30 H new ATOM 0 HZ1 LYS A 44 1.365 -13.800 -4.116 1.00 13.34 H new ATOM 0 HZ2 LYS A 44 -0.293 -14.156 -4.204 1.00 13.34 H new ATOM 0 HZ3 LYS A 44 0.517 -13.546 -5.566 1.00 13.34 H new ATOM 645 N LYS A 45 -2.622 -9.543 -0.555 1.00 1.22 N ATOM 646 CA LYS A 45 -2.808 -10.187 0.739 1.00 43.01 C ATOM 647 C LYS A 45 -1.953 -11.445 0.849 1.00 64.41 C ATOM 648 O LYS A 45 -1.652 -12.092 -0.155 1.00 62.22 O ATOM 649 CB LYS A 45 -4.283 -10.539 0.950 1.00 30.42 C ATOM 650 CG LYS A 45 -4.969 -9.682 2.000 1.00 1.32 C ATOM 651 CD LYS A 45 -6.191 -10.378 2.576 1.00 55.23 C ATOM 652 CE LYS A 45 -7.439 -10.076 1.762 1.00 23.13 C ATOM 653 NZ LYS A 45 -8.444 -11.170 1.862 1.00 60.00 N ATOM 0 H LYS A 45 -3.483 -9.403 -1.083 1.00 1.22 H new ATOM 0 HA LYS A 45 -2.494 -9.487 1.513 1.00 43.01 H new ATOM 0 HB2 LYS A 45 -4.812 -10.432 0.003 1.00 30.42 H new ATOM 0 HB3 LYS A 45 -4.360 -11.587 1.241 1.00 30.42 H new ATOM 0 HG2 LYS A 45 -4.266 -9.455 2.802 1.00 1.32 H new ATOM 0 HG3 LYS A 45 -5.265 -8.731 1.558 1.00 1.32 H new ATOM 0 HD2 LYS A 45 -6.021 -11.454 2.598 1.00 55.23 H new ATOM 0 HD3 LYS A 45 -6.341 -10.058 3.607 1.00 55.23 H new ATOM 0 HE2 LYS A 45 -7.882 -9.143 2.109 1.00 23.13 H new ATOM 0 HE3 LYS A 45 -7.165 -9.929 0.717 1.00 23.13 H new ATOM 0 HZ1 LYS A 45 -9.280 -10.926 1.293 1.00 60.00 H new ATOM 0 HZ2 LYS A 45 -8.030 -12.055 1.507 1.00 60.00 H new ATOM 0 HZ3 LYS A 45 -8.725 -11.293 2.856 1.00 60.00 H new ATOM 663 N LEU A 46 -1.567 -11.788 2.073 1.00 23.51 N ATOM 664 CA LEU A 46 -0.748 -12.972 2.314 1.00 20.15 C ATOM 665 C LEU A 46 -1.496 -13.986 3.173 1.00 31.23 C ATOM 666 O LEU A 46 -2.534 -13.674 3.757 1.00 50.23 O ATOM 667 CB LEU A 46 0.563 -12.578 2.994 1.00 40.15 C ATOM 668 CG LEU A 46 1.433 -11.569 2.243 1.00 74.22 C ATOM 669 CD1 LEU A 46 2.370 -10.853 3.203 1.00 62.41 C ATOM 670 CD2 LEU A 46 2.223 -12.261 1.142 1.00 31.41 C ATOM 0 H LEU A 46 -1.808 -11.264 2.914 1.00 23.51 H new ATOM 0 HA LEU A 46 -0.527 -13.433 1.352 1.00 20.15 H new ATOM 0 HB2 LEU A 46 0.330 -12.166 3.976 1.00 40.15 H new ATOM 0 HB3 LEU A 46 1.150 -13.482 3.158 1.00 40.15 H new ATOM 0 HG LEU A 46 0.780 -10.827 1.783 1.00 74.22 H new ATOM 0 HD11 LEU A 46 2.981 -10.139 2.651 1.00 62.41 H new ATOM 0 HD12 LEU A 46 1.785 -10.324 3.956 1.00 62.41 H new ATOM 0 HD13 LEU A 46 3.016 -11.582 3.692 1.00 62.41 H new ATOM 0 HD21 LEU A 46 2.836 -11.528 0.618 1.00 31.41 H new ATOM 0 HD22 LEU A 46 2.865 -13.025 1.580 1.00 31.41 H new ATOM 0 HD23 LEU A 46 1.534 -12.727 0.438 1.00 31.41 H new ATOM 681 N ASP A 47 -0.962 -15.200 3.246 1.00 31.33 N ATOM 682 CA ASP A 47 -1.576 -16.260 4.036 1.00 62.12 C ATOM 683 C ASP A 47 -1.351 -16.027 5.527 1.00 1.32 C ATOM 684 O ASP A 47 -0.275 -16.309 6.054 1.00 33.31 O ATOM 685 CB ASP A 47 -1.012 -17.621 3.629 1.00 63.45 C ATOM 686 CG ASP A 47 -2.031 -18.478 2.904 1.00 40.10 C ATOM 687 OD1 ASP A 47 -2.516 -18.047 1.837 1.00 13.53 O ATOM 688 OD2 ASP A 47 -2.346 -19.579 3.404 1.00 13.20 O ATOM 0 H ASP A 47 -0.104 -15.474 2.767 1.00 31.33 H new ATOM 0 HA ASP A 47 -2.649 -16.248 3.843 1.00 62.12 H new ATOM 0 HB2 ASP A 47 -0.143 -17.474 2.987 1.00 63.45 H new ATOM 0 HB3 ASP A 47 -0.666 -18.148 4.518 1.00 63.45 H new ATOM 692 N SER A 48 -2.372 -15.508 6.201 1.00 25.02 N ATOM 693 CA SER A 48 -2.283 -15.232 7.630 1.00 11.04 C ATOM 694 C SER A 48 -3.230 -16.132 8.417 1.00 25.33 C ATOM 695 O SER A 48 -4.341 -15.733 8.763 1.00 64.25 O ATOM 696 CB SER A 48 -2.609 -13.763 7.909 1.00 22.12 C ATOM 697 OG SER A 48 -1.855 -13.272 9.003 1.00 24.22 O ATOM 0 H SER A 48 -3.270 -15.270 5.781 1.00 25.02 H new ATOM 0 HA SER A 48 -1.262 -15.438 7.951 1.00 11.04 H new ATOM 0 HB2 SER A 48 -2.399 -13.166 7.022 1.00 22.12 H new ATOM 0 HB3 SER A 48 -3.673 -13.657 8.120 1.00 22.12 H new ATOM 0 HG SER A 48 -1.342 -14.005 9.402 1.00 24.22 H new ATOM 702 N GLY A 49 -2.782 -17.352 8.697 1.00 74.43 N ATOM 703 CA GLY A 49 -3.599 -18.292 9.440 1.00 65.11 C ATOM 704 C GLY A 49 -4.188 -17.680 10.696 1.00 62.32 C ATOM 705 O GLY A 49 -5.370 -17.861 10.989 1.00 5.24 O ATOM 0 H GLY A 49 -1.866 -17.706 8.422 1.00 74.43 H new ATOM 0 HA2 GLY A 49 -4.406 -18.651 8.802 1.00 65.11 H new ATOM 0 HA3 GLY A 49 -2.996 -19.159 9.710 1.00 65.11 H new ATOM 709 N THR A 50 -3.361 -16.956 11.444 1.00 11.11 N ATOM 710 CA THR A 50 -3.804 -16.318 12.677 1.00 25.33 C ATOM 711 C THR A 50 -5.097 -15.538 12.458 1.00 53.52 C ATOM 712 O THR A 50 -5.979 -15.528 13.315 1.00 25.15 O ATOM 713 CB THR A 50 -2.731 -15.365 13.235 1.00 25.11 C ATOM 714 OG1 THR A 50 -3.205 -14.741 14.433 1.00 3.24 O ATOM 715 CG2 THR A 50 -2.369 -14.300 12.211 1.00 15.32 C ATOM 0 H THR A 50 -2.379 -16.797 11.217 1.00 11.11 H new ATOM 0 HA THR A 50 -3.981 -17.115 13.399 1.00 25.33 H new ATOM 0 HB THR A 50 -1.839 -15.949 13.459 1.00 25.11 H new ATOM 0 HG1 THR A 50 -2.516 -14.138 14.782 1.00 3.24 H new ATOM 0 HG21 THR A 50 -1.609 -13.638 12.627 1.00 15.32 H new ATOM 0 HG22 THR A 50 -1.981 -14.777 11.311 1.00 15.32 H new ATOM 0 HG23 THR A 50 -3.257 -13.720 11.960 1.00 15.32 H new ATOM 723 N GLY A 51 -5.200 -14.884 11.305 1.00 34.33 N ATOM 724 CA GLY A 51 -6.388 -14.111 10.995 1.00 21.21 C ATOM 725 C GLY A 51 -6.130 -12.618 11.020 1.00 40.44 C ATOM 726 O GLY A 51 -6.994 -11.837 11.420 1.00 23.34 O ATOM 0 H GLY A 51 -4.482 -14.876 10.580 1.00 34.33 H new ATOM 0 HA2 GLY A 51 -6.757 -14.397 10.010 1.00 21.21 H new ATOM 0 HA3 GLY A 51 -7.173 -14.353 11.712 1.00 21.21 H new ATOM 730 N LYS A 52 -4.937 -12.218 10.595 1.00 40.40 N ATOM 731 CA LYS A 52 -4.565 -10.807 10.571 1.00 64.23 C ATOM 732 C LYS A 52 -4.747 -10.221 9.175 1.00 40.44 C ATOM 733 O LYS A 52 -4.992 -10.949 8.214 1.00 11.31 O ATOM 734 CB LYS A 52 -3.115 -10.633 11.025 1.00 41.31 C ATOM 735 CG LYS A 52 -2.894 -10.951 12.494 1.00 33.35 C ATOM 736 CD LYS A 52 -3.268 -9.776 13.381 1.00 23.23 C ATOM 737 CE LYS A 52 -4.026 -10.231 14.619 1.00 5.34 C ATOM 738 NZ LYS A 52 -3.106 -10.687 15.696 1.00 52.32 N ATOM 0 H LYS A 52 -4.210 -12.851 10.262 1.00 40.40 H new ATOM 0 HA LYS A 52 -5.220 -10.272 11.258 1.00 64.23 H new ATOM 0 HB2 LYS A 52 -2.475 -11.277 10.422 1.00 41.31 H new ATOM 0 HB3 LYS A 52 -2.804 -9.606 10.834 1.00 41.31 H new ATOM 0 HG2 LYS A 52 -3.488 -11.822 12.772 1.00 33.35 H new ATOM 0 HG3 LYS A 52 -1.849 -11.213 12.657 1.00 33.35 H new ATOM 0 HD2 LYS A 52 -2.365 -9.244 13.681 1.00 23.23 H new ATOM 0 HD3 LYS A 52 -3.880 -9.073 12.816 1.00 23.23 H new ATOM 0 HE2 LYS A 52 -4.641 -9.411 14.990 1.00 5.34 H new ATOM 0 HE3 LYS A 52 -4.703 -11.042 14.352 1.00 5.34 H new ATOM 0 HZ1 LYS A 52 -3.661 -10.989 16.522 1.00 52.32 H new ATOM 0 HZ2 LYS A 52 -2.537 -11.486 15.351 1.00 52.32 H new ATOM 0 HZ3 LYS A 52 -2.476 -9.905 15.969 1.00 52.32 H new ATOM 748 N GLU A 53 -4.623 -8.901 9.072 1.00 34.55 N ATOM 749 CA GLU A 53 -4.774 -8.218 7.792 1.00 34.44 C ATOM 750 C GLU A 53 -3.435 -7.670 7.307 1.00 52.45 C ATOM 751 O GLU A 53 -3.064 -6.539 7.623 1.00 53.52 O ATOM 752 CB GLU A 53 -5.790 -7.081 7.911 1.00 22.13 C ATOM 753 CG GLU A 53 -6.993 -7.428 8.773 1.00 14.33 C ATOM 754 CD GLU A 53 -8.084 -8.136 7.994 1.00 32.33 C ATOM 755 OE1 GLU A 53 -8.229 -7.852 6.786 1.00 33.11 O ATOM 756 OE2 GLU A 53 -8.791 -8.974 8.591 1.00 4.15 O ATOM 0 H GLU A 53 -4.419 -8.284 9.858 1.00 34.55 H new ATOM 0 HA GLU A 53 -5.136 -8.943 7.063 1.00 34.44 H new ATOM 0 HB2 GLU A 53 -5.295 -6.205 8.329 1.00 22.13 H new ATOM 0 HB3 GLU A 53 -6.135 -6.807 6.914 1.00 22.13 H new ATOM 0 HG2 GLU A 53 -6.672 -8.062 9.600 1.00 14.33 H new ATOM 0 HG3 GLU A 53 -7.398 -6.515 9.210 1.00 14.33 H new ATOM 761 N LEU A 54 -2.713 -8.480 6.540 1.00 42.02 N ATOM 762 CA LEU A 54 -1.414 -8.077 6.012 1.00 11.32 C ATOM 763 C LEU A 54 -1.393 -8.171 4.489 1.00 52.24 C ATOM 764 O LEU A 54 -2.188 -8.895 3.891 1.00 14.14 O ATOM 765 CB LEU A 54 -0.308 -8.951 6.603 1.00 74.24 C ATOM 766 CG LEU A 54 -0.721 -10.360 7.032 1.00 22.11 C ATOM 767 CD1 LEU A 54 -1.220 -11.155 5.835 1.00 62.14 C ATOM 768 CD2 LEU A 54 0.441 -11.076 7.703 1.00 71.11 C ATOM 0 H LEU A 54 -3.005 -9.419 6.270 1.00 42.02 H new ATOM 0 HA LEU A 54 -1.239 -7.039 6.297 1.00 11.32 H new ATOM 0 HB2 LEU A 54 0.492 -9.037 5.867 1.00 74.24 H new ATOM 0 HB3 LEU A 54 0.110 -8.437 7.469 1.00 74.24 H new ATOM 0 HG LEU A 54 -1.534 -10.277 7.753 1.00 22.11 H new ATOM 0 HD11 LEU A 54 -1.510 -12.155 6.158 1.00 62.14 H new ATOM 0 HD12 LEU A 54 -2.082 -10.651 5.397 1.00 62.14 H new ATOM 0 HD13 LEU A 54 -0.427 -11.229 5.091 1.00 62.14 H new ATOM 0 HD21 LEU A 54 0.128 -12.077 8.001 1.00 71.11 H new ATOM 0 HD22 LEU A 54 1.275 -11.149 7.005 1.00 71.11 H new ATOM 0 HD23 LEU A 54 0.754 -10.516 8.584 1.00 71.11 H new ATOM 779 N VAL A 55 -0.476 -7.435 3.869 1.00 52.15 N ATOM 780 CA VAL A 55 -0.347 -7.437 2.417 1.00 22.41 C ATOM 781 C VAL A 55 1.099 -7.215 1.993 1.00 33.14 C ATOM 782 O VAL A 55 1.727 -6.229 2.381 1.00 35.43 O ATOM 783 CB VAL A 55 -1.233 -6.353 1.774 1.00 30.45 C ATOM 784 CG1 VAL A 55 -2.543 -6.954 1.286 1.00 43.53 C ATOM 785 CG2 VAL A 55 -1.488 -5.222 2.757 1.00 2.12 C ATOM 0 H VAL A 55 0.189 -6.829 4.350 1.00 52.15 H new ATOM 0 HA VAL A 55 -0.676 -8.417 2.071 1.00 22.41 H new ATOM 0 HB VAL A 55 -0.707 -5.942 0.912 1.00 30.45 H new ATOM 0 HG11 VAL A 55 -3.156 -6.173 0.835 1.00 43.53 H new ATOM 0 HG12 VAL A 55 -2.335 -7.726 0.545 1.00 43.53 H new ATOM 0 HG13 VAL A 55 -3.078 -7.394 2.128 1.00 43.53 H new ATOM 0 HG21 VAL A 55 -2.115 -4.465 2.286 1.00 2.12 H new ATOM 0 HG22 VAL A 55 -1.993 -5.614 3.640 1.00 2.12 H new ATOM 0 HG23 VAL A 55 -0.539 -4.774 3.051 1.00 2.12 H new ATOM 795 N LEU A 56 1.624 -8.136 1.192 1.00 30.23 N ATOM 796 CA LEU A 56 2.998 -8.040 0.713 1.00 33.52 C ATOM 797 C LEU A 56 3.098 -7.078 -0.466 1.00 13.24 C ATOM 798 O LEU A 56 2.143 -6.904 -1.222 1.00 33.34 O ATOM 799 CB LEU A 56 3.513 -9.422 0.302 1.00 44.13 C ATOM 800 CG LEU A 56 5.011 -9.520 0.012 1.00 72.14 C ATOM 801 CD1 LEU A 56 5.357 -8.781 -1.271 1.00 24.32 C ATOM 802 CD2 LEU A 56 5.818 -8.971 1.180 1.00 25.51 C ATOM 0 H LEU A 56 1.119 -8.958 0.861 1.00 30.23 H new ATOM 0 HA LEU A 56 3.614 -7.655 1.526 1.00 33.52 H new ATOM 0 HB2 LEU A 56 3.270 -10.129 1.095 1.00 44.13 H new ATOM 0 HB3 LEU A 56 2.969 -9.741 -0.587 1.00 44.13 H new ATOM 0 HG LEU A 56 5.267 -10.571 -0.119 1.00 72.14 H new ATOM 0 HD11 LEU A 56 6.427 -8.862 -1.460 1.00 24.32 H new ATOM 0 HD12 LEU A 56 4.807 -9.220 -2.103 1.00 24.32 H new ATOM 0 HD13 LEU A 56 5.085 -7.730 -1.170 1.00 24.32 H new ATOM 0 HD21 LEU A 56 6.882 -9.049 0.956 1.00 25.51 H new ATOM 0 HD22 LEU A 56 5.557 -7.925 1.343 1.00 25.51 H new ATOM 0 HD23 LEU A 56 5.594 -9.545 2.079 1.00 25.51 H new ATOM 813 N ALA A 57 4.263 -6.455 -0.617 1.00 3.12 N ATOM 814 CA ALA A 57 4.489 -5.513 -1.707 1.00 51.24 C ATOM 815 C ALA A 57 5.115 -6.207 -2.912 1.00 63.41 C ATOM 816 O ALA A 57 6.317 -6.475 -2.933 1.00 44.04 O ATOM 817 CB ALA A 57 5.373 -4.367 -1.237 1.00 31.44 C ATOM 0 H ALA A 57 5.064 -6.586 0.001 1.00 3.12 H new ATOM 0 HA ALA A 57 3.523 -5.111 -2.014 1.00 51.24 H new ATOM 0 HB1 ALA A 57 5.534 -3.671 -2.060 1.00 31.44 H new ATOM 0 HB2 ALA A 57 4.886 -3.847 -0.412 1.00 31.44 H new ATOM 0 HB3 ALA A 57 6.332 -4.761 -0.902 1.00 31.44 H new ATOM 823 N LEU A 58 4.292 -6.496 -3.914 1.00 70.42 N ATOM 824 CA LEU A 58 4.765 -7.160 -5.124 1.00 24.42 C ATOM 825 C LEU A 58 5.708 -6.255 -5.909 1.00 31.33 C ATOM 826 O LEU A 58 6.715 -6.711 -6.452 1.00 64.43 O ATOM 827 CB LEU A 58 3.580 -7.567 -6.003 1.00 2.22 C ATOM 828 CG LEU A 58 2.374 -8.158 -5.272 1.00 12.42 C ATOM 829 CD1 LEU A 58 1.227 -8.395 -6.242 1.00 43.13 C ATOM 830 CD2 LEU A 58 2.758 -9.452 -4.571 1.00 65.24 C ATOM 0 H LEU A 58 3.295 -6.281 -3.913 1.00 70.42 H new ATOM 0 HA LEU A 58 5.313 -8.054 -4.827 1.00 24.42 H new ATOM 0 HB2 LEU A 58 3.248 -6.691 -6.560 1.00 2.22 H new ATOM 0 HB3 LEU A 58 3.929 -8.296 -6.734 1.00 2.22 H new ATOM 0 HG LEU A 58 2.044 -7.444 -4.518 1.00 12.42 H new ATOM 0 HD11 LEU A 58 0.377 -8.816 -5.705 1.00 43.13 H new ATOM 0 HD12 LEU A 58 0.935 -7.449 -6.699 1.00 43.13 H new ATOM 0 HD13 LEU A 58 1.545 -9.090 -7.019 1.00 43.13 H new ATOM 0 HD21 LEU A 58 1.888 -9.859 -4.056 1.00 65.24 H new ATOM 0 HD22 LEU A 58 3.114 -10.173 -5.307 1.00 65.24 H new ATOM 0 HD23 LEU A 58 3.548 -9.253 -3.847 1.00 65.24 H new ATOM 841 N TYR A 59 5.377 -4.970 -5.964 1.00 63.25 N ATOM 842 CA TYR A 59 6.194 -4.000 -6.682 1.00 12.21 C ATOM 843 C TYR A 59 6.570 -2.829 -5.780 1.00 44.41 C ATOM 844 O TYR A 59 6.051 -2.693 -4.671 1.00 33.35 O ATOM 845 CB TYR A 59 5.450 -3.489 -7.917 1.00 50.13 C ATOM 846 CG TYR A 59 4.647 -4.557 -8.626 1.00 41.52 C ATOM 847 CD1 TYR A 59 5.190 -5.811 -8.874 1.00 61.51 C ATOM 848 CD2 TYR A 59 3.346 -4.311 -9.045 1.00 61.21 C ATOM 849 CE1 TYR A 59 4.461 -6.790 -9.521 1.00 11.34 C ATOM 850 CE2 TYR A 59 2.608 -5.284 -9.692 1.00 51.42 C ATOM 851 CZ TYR A 59 3.171 -6.521 -9.928 1.00 25.43 C ATOM 852 OH TYR A 59 2.440 -7.494 -10.572 1.00 14.32 O ATOM 0 H TYR A 59 4.548 -4.576 -5.519 1.00 63.25 H new ATOM 0 HA TYR A 59 7.110 -4.499 -6.999 1.00 12.21 H new ATOM 0 HB2 TYR A 59 4.781 -2.681 -7.620 1.00 50.13 H new ATOM 0 HB3 TYR A 59 6.171 -3.065 -8.616 1.00 50.13 H new ATOM 0 HD1 TYR A 59 6.200 -6.024 -8.556 1.00 61.51 H new ATOM 0 HD2 TYR A 59 2.903 -3.343 -8.862 1.00 61.21 H new ATOM 0 HE1 TYR A 59 4.898 -7.760 -9.707 1.00 11.34 H new ATOM 0 HE2 TYR A 59 1.597 -5.077 -10.011 1.00 51.42 H new ATOM 0 HH TYR A 59 1.551 -7.144 -10.791 1.00 14.32 H new ATOM 861 N ASP A 60 7.474 -1.984 -6.263 1.00 61.02 N ATOM 862 CA ASP A 60 7.919 -0.822 -5.503 1.00 60.23 C ATOM 863 C ASP A 60 7.062 0.399 -5.824 1.00 34.52 C ATOM 864 O ASP A 60 6.982 0.828 -6.975 1.00 74.34 O ATOM 865 CB ASP A 60 9.389 -0.522 -5.802 1.00 73.24 C ATOM 866 CG ASP A 60 9.681 -0.484 -7.288 1.00 50.12 C ATOM 867 OD1 ASP A 60 9.630 -1.553 -7.932 1.00 73.34 O ATOM 868 OD2 ASP A 60 9.960 0.616 -7.809 1.00 22.02 O ATOM 0 H ASP A 60 7.913 -2.082 -7.178 1.00 61.02 H new ATOM 0 HA ASP A 60 7.811 -1.050 -4.443 1.00 60.23 H new ATOM 0 HB2 ASP A 60 9.659 0.436 -5.357 1.00 73.24 H new ATOM 0 HB3 ASP A 60 10.015 -1.280 -5.331 1.00 73.24 H new ATOM 872 N TYR A 61 6.422 0.952 -4.800 1.00 55.32 N ATOM 873 CA TYR A 61 5.569 2.122 -4.974 1.00 71.44 C ATOM 874 C TYR A 61 6.088 3.301 -4.158 1.00 12.44 C ATOM 875 O TYR A 61 6.987 3.150 -3.331 1.00 13.42 O ATOM 876 CB TYR A 61 4.132 1.795 -4.562 1.00 13.54 C ATOM 877 CG TYR A 61 3.171 2.947 -4.754 1.00 55.45 C ATOM 878 CD1 TYR A 61 3.047 3.940 -3.790 1.00 4.15 C ATOM 879 CD2 TYR A 61 2.389 3.041 -5.897 1.00 0.43 C ATOM 880 CE1 TYR A 61 2.169 4.994 -3.961 1.00 31.10 C ATOM 881 CE2 TYR A 61 1.510 4.092 -6.077 1.00 14.50 C ATOM 882 CZ TYR A 61 1.404 5.066 -5.106 1.00 60.31 C ATOM 883 OH TYR A 61 0.529 6.114 -5.280 1.00 20.34 O ATOM 0 H TYR A 61 6.477 0.609 -3.841 1.00 55.32 H new ATOM 0 HA TYR A 61 5.585 2.399 -6.028 1.00 71.44 H new ATOM 0 HB2 TYR A 61 3.782 0.940 -5.141 1.00 13.54 H new ATOM 0 HB3 TYR A 61 4.122 1.495 -3.514 1.00 13.54 H new ATOM 0 HD1 TYR A 61 3.646 3.888 -2.893 1.00 4.15 H new ATOM 0 HD2 TYR A 61 2.469 2.280 -6.659 1.00 0.43 H new ATOM 0 HE1 TYR A 61 2.083 5.757 -3.202 1.00 31.10 H new ATOM 0 HE2 TYR A 61 0.909 4.150 -6.973 1.00 14.50 H new ATOM 0 HH TYR A 61 -0.232 5.818 -5.821 1.00 20.34 H new ATOM 892 N GLN A 62 5.515 4.477 -4.398 1.00 33.45 N ATOM 893 CA GLN A 62 5.919 5.683 -3.688 1.00 53.15 C ATOM 894 C GLN A 62 4.731 6.617 -3.479 1.00 34.23 C ATOM 895 O GLN A 62 4.123 7.084 -4.441 1.00 14.42 O ATOM 896 CB GLN A 62 7.025 6.408 -4.457 1.00 24.35 C ATOM 897 CG GLN A 62 7.140 7.884 -4.111 1.00 74.25 C ATOM 898 CD GLN A 62 7.663 8.115 -2.707 1.00 64.22 C ATOM 899 OE1 GLN A 62 6.760 8.116 -1.732 1.00 35.40 O flip ATOM 900 NE2 GLN A 62 8.863 8.290 -2.500 1.00 13.44 N flip ATOM 0 H GLN A 62 4.769 4.619 -5.079 1.00 33.45 H new ATOM 0 HA GLN A 62 6.301 5.387 -2.711 1.00 53.15 H new ATOM 0 HB2 GLN A 62 7.978 5.920 -4.252 1.00 24.35 H new ATOM 0 HB3 GLN A 62 6.838 6.308 -5.526 1.00 24.35 H new ATOM 0 HG2 GLN A 62 7.803 8.370 -4.826 1.00 74.25 H new ATOM 0 HG3 GLN A 62 6.162 8.354 -4.212 1.00 74.25 H new ATOM 0 HE21 GLN A 62 9.521 8.281 -3.279 1.00 13.44 H new ATOM 0 HE22 GLN A 62 9.199 8.444 -1.549 1.00 13.44 H new ATOM 907 N GLU A 63 4.407 6.883 -2.218 1.00 54.34 N ATOM 908 CA GLU A 63 3.291 7.760 -1.885 1.00 31.33 C ATOM 909 C GLU A 63 3.769 8.967 -1.084 1.00 42.22 C ATOM 910 O GLU A 63 4.546 8.831 -0.140 1.00 13.52 O ATOM 911 CB GLU A 63 2.231 6.994 -1.092 1.00 50.15 C ATOM 912 CG GLU A 63 0.806 7.324 -1.504 1.00 54.24 C ATOM 913 CD GLU A 63 0.654 8.753 -1.988 1.00 75.33 C ATOM 914 OE1 GLU A 63 0.652 9.669 -1.138 1.00 23.15 O ATOM 915 OE2 GLU A 63 0.539 8.955 -3.215 1.00 45.54 O ATOM 0 H GLU A 63 4.901 6.504 -1.410 1.00 54.34 H new ATOM 0 HA GLU A 63 2.850 8.115 -2.816 1.00 31.33 H new ATOM 0 HB2 GLU A 63 2.398 5.924 -1.218 1.00 50.15 H new ATOM 0 HB3 GLU A 63 2.354 7.213 -0.031 1.00 50.15 H new ATOM 0 HG2 GLU A 63 0.493 6.642 -2.294 1.00 54.24 H new ATOM 0 HG3 GLU A 63 0.140 7.158 -0.658 1.00 54.24 H new ATOM 920 N SER A 64 3.297 10.149 -1.468 1.00 22.23 N ATOM 921 CA SER A 64 3.677 11.382 -0.789 1.00 13.32 C ATOM 922 C SER A 64 2.481 12.000 -0.074 1.00 5.31 C ATOM 923 O SER A 64 1.652 12.668 -0.692 1.00 65.03 O ATOM 924 CB SER A 64 4.261 12.382 -1.790 1.00 33.30 C ATOM 925 OG SER A 64 5.544 12.823 -1.382 1.00 63.43 O ATOM 0 H SER A 64 2.650 10.279 -2.246 1.00 22.23 H new ATOM 0 HA SER A 64 4.436 11.138 -0.045 1.00 13.32 H new ATOM 0 HB2 SER A 64 4.329 11.918 -2.774 1.00 33.30 H new ATOM 0 HB3 SER A 64 3.593 13.238 -1.886 1.00 33.30 H new ATOM 0 HG SER A 64 5.895 13.459 -2.039 1.00 63.43 H new ATOM 930 N GLY A 65 2.398 11.774 1.233 1.00 42.01 N ATOM 931 CA GLY A 65 1.299 12.315 2.012 1.00 63.43 C ATOM 932 C GLY A 65 -0.009 11.596 1.747 1.00 4.42 C ATOM 933 O GLY A 65 -0.555 11.673 0.646 1.00 1.35 O ATOM 0 H GLY A 65 3.072 11.226 1.767 1.00 42.01 H new ATOM 0 HA2 GLY A 65 1.540 12.245 3.073 1.00 63.43 H new ATOM 0 HA3 GLY A 65 1.181 13.374 1.782 1.00 63.43 H new ATOM 937 N ASP A 66 -0.511 10.895 2.756 1.00 64.43 N ATOM 938 CA ASP A 66 -1.764 10.158 2.627 1.00 20.33 C ATOM 939 C ASP A 66 -2.754 10.920 1.751 1.00 72.14 C ATOM 940 O ASP A 66 -3.351 11.905 2.184 1.00 34.03 O ATOM 941 CB ASP A 66 -2.375 9.903 4.005 1.00 62.54 C ATOM 942 CG ASP A 66 -2.997 11.149 4.603 1.00 63.32 C ATOM 943 OD1 ASP A 66 -2.381 12.229 4.495 1.00 43.03 O ATOM 944 OD2 ASP A 66 -4.101 11.043 5.179 1.00 3.53 O ATOM 0 H ASP A 66 -0.071 10.821 3.673 1.00 64.43 H new ATOM 0 HA ASP A 66 -1.547 9.201 2.152 1.00 20.33 H new ATOM 0 HB2 ASP A 66 -3.134 9.125 3.924 1.00 62.54 H new ATOM 0 HB3 ASP A 66 -1.604 9.527 4.677 1.00 62.54 H new ATOM 948 N ASN A 67 -2.922 10.457 0.517 1.00 24.13 N ATOM 949 CA ASN A 67 -3.839 11.096 -0.421 1.00 54.21 C ATOM 950 C ASN A 67 -4.879 10.101 -0.928 1.00 72.04 C ATOM 951 O ASN A 67 -4.585 8.921 -1.112 1.00 64.33 O ATOM 952 CB ASN A 67 -3.064 11.687 -1.601 1.00 24.03 C ATOM 953 CG ASN A 67 -2.133 12.806 -1.179 1.00 61.12 C ATOM 954 OD1 ASN A 67 -0.964 12.833 -1.561 1.00 55.33 O ATOM 955 ND2 ASN A 67 -2.649 13.738 -0.386 1.00 60.43 N ATOM 0 H ASN A 67 -2.436 9.642 0.143 1.00 24.13 H new ATOM 0 HA ASN A 67 -4.356 11.899 0.104 1.00 54.21 H new ATOM 0 HB2 ASN A 67 -2.485 10.899 -2.083 1.00 24.03 H new ATOM 0 HB3 ASN A 67 -3.768 12.064 -2.342 1.00 24.03 H new ATOM 0 HD21 ASN A 67 -2.070 14.516 -0.069 1.00 60.43 H new ATOM 0 HD22 ASN A 67 -3.624 13.676 -0.094 1.00 60.43 H new ATOM 961 N ALA A 68 -6.095 10.588 -1.152 1.00 63.01 N ATOM 962 CA ALA A 68 -7.178 9.744 -1.640 1.00 65.32 C ATOM 963 C ALA A 68 -6.983 9.394 -3.112 1.00 51.43 C ATOM 964 O ALA A 68 -6.552 10.220 -3.918 1.00 73.33 O ATOM 965 CB ALA A 68 -8.519 10.433 -1.433 1.00 71.31 C ATOM 0 H ALA A 68 -6.355 11.563 -1.003 1.00 63.01 H new ATOM 0 HA ALA A 68 -7.166 8.816 -1.069 1.00 65.32 H new ATOM 0 HB1 ALA A 68 -9.319 9.791 -1.802 1.00 71.31 H new ATOM 0 HB2 ALA A 68 -8.669 10.625 -0.371 1.00 71.31 H new ATOM 0 HB3 ALA A 68 -8.531 11.377 -1.978 1.00 71.31 H new ATOM 971 N PRO A 69 -7.305 8.144 -3.472 1.00 74.10 N ATOM 972 CA PRO A 69 -7.172 7.657 -4.848 1.00 32.24 C ATOM 973 C PRO A 69 -8.188 8.294 -5.789 1.00 2.21 C ATOM 974 O PRO A 69 -9.213 7.693 -6.111 1.00 60.25 O ATOM 975 CB PRO A 69 -7.431 6.154 -4.720 1.00 55.11 C ATOM 976 CG PRO A 69 -8.271 6.017 -3.498 1.00 40.44 C ATOM 977 CD PRO A 69 -7.824 7.107 -2.563 1.00 13.13 C ATOM 0 HA PRO A 69 -6.199 7.901 -5.274 1.00 32.24 H new ATOM 0 HB2 PRO A 69 -7.945 5.765 -5.599 1.00 55.11 H new ATOM 0 HB3 PRO A 69 -6.498 5.598 -4.624 1.00 55.11 H new ATOM 0 HG2 PRO A 69 -9.329 6.119 -3.739 1.00 40.44 H new ATOM 0 HG3 PRO A 69 -8.141 5.035 -3.043 1.00 40.44 H new ATOM 0 HD2 PRO A 69 -8.650 7.480 -1.957 1.00 13.13 H new ATOM 0 HD3 PRO A 69 -7.056 6.756 -1.874 1.00 13.13 H new ATOM 982 N SER A 70 -7.899 9.516 -6.227 1.00 51.35 N ATOM 983 CA SER A 70 -8.790 10.236 -7.128 1.00 33.14 C ATOM 984 C SER A 70 -8.444 9.942 -8.585 1.00 13.41 C ATOM 985 O SER A 70 -9.110 10.422 -9.502 1.00 1.43 O ATOM 986 CB SER A 70 -8.707 11.741 -6.867 1.00 43.34 C ATOM 987 OG SER A 70 -9.070 12.048 -5.531 1.00 60.42 O ATOM 0 H SER A 70 -7.054 10.028 -5.972 1.00 51.35 H new ATOM 0 HA SER A 70 -9.808 9.897 -6.939 1.00 33.14 H new ATOM 0 HB2 SER A 70 -7.693 12.092 -7.061 1.00 43.34 H new ATOM 0 HB3 SER A 70 -9.365 12.270 -7.557 1.00 43.34 H new ATOM 0 HG SER A 70 -9.007 13.016 -5.389 1.00 60.42 H new ATOM 992 N TYR A 71 -7.397 9.150 -8.789 1.00 64.53 N ATOM 993 CA TYR A 71 -6.960 8.792 -10.132 1.00 15.35 C ATOM 994 C TYR A 71 -6.710 7.292 -10.244 1.00 64.43 C ATOM 995 O TYR A 71 -6.739 6.570 -9.246 1.00 54.33 O ATOM 996 CB TYR A 71 -5.688 9.560 -10.498 1.00 32.43 C ATOM 997 CG TYR A 71 -4.643 9.556 -9.406 1.00 52.12 C ATOM 998 CD1 TYR A 71 -4.197 8.364 -8.848 1.00 41.01 C ATOM 999 CD2 TYR A 71 -4.100 10.744 -8.932 1.00 20.03 C ATOM 1000 CE1 TYR A 71 -3.243 8.355 -7.849 1.00 43.44 C ATOM 1001 CE2 TYR A 71 -3.144 10.746 -7.934 1.00 32.52 C ATOM 1002 CZ TYR A 71 -2.720 9.548 -7.396 1.00 50.42 C ATOM 1003 OH TYR A 71 -1.768 9.545 -6.402 1.00 42.23 O ATOM 0 H TYR A 71 -6.835 8.744 -8.041 1.00 64.53 H new ATOM 0 HA TYR A 71 -7.754 9.062 -10.828 1.00 15.35 H new ATOM 0 HB2 TYR A 71 -5.259 9.126 -11.401 1.00 32.43 H new ATOM 0 HB3 TYR A 71 -5.951 10.591 -10.734 1.00 32.43 H new ATOM 0 HD1 TYR A 71 -4.603 7.428 -9.202 1.00 41.01 H new ATOM 0 HD2 TYR A 71 -4.431 11.683 -9.351 1.00 20.03 H new ATOM 0 HE1 TYR A 71 -2.909 7.419 -7.425 1.00 43.44 H new ATOM 0 HE2 TYR A 71 -2.732 11.678 -7.578 1.00 32.52 H new ATOM 0 HH TYR A 71 -1.504 10.467 -6.200 1.00 42.23 H new ATOM 1012 N SER A 72 -6.467 6.827 -11.465 1.00 51.10 N ATOM 1013 CA SER A 72 -6.216 5.411 -11.709 1.00 13.53 C ATOM 1014 C SER A 72 -4.838 5.007 -11.195 1.00 43.43 C ATOM 1015 O SER A 72 -3.917 5.821 -11.106 1.00 74.31 O ATOM 1016 CB SER A 72 -6.326 5.103 -13.204 1.00 54.45 C ATOM 1017 OG SER A 72 -5.518 5.983 -13.967 1.00 63.12 O ATOM 0 H SER A 72 -6.439 7.410 -12.301 1.00 51.10 H new ATOM 0 HA SER A 72 -6.968 4.835 -11.170 1.00 13.53 H new ATOM 0 HB2 SER A 72 -6.022 4.073 -13.390 1.00 54.45 H new ATOM 0 HB3 SER A 72 -7.365 5.191 -13.521 1.00 54.45 H new ATOM 0 HG SER A 72 -5.604 5.764 -14.918 1.00 63.12 H new ATOM 1022 N PRO A 73 -4.691 3.721 -10.846 1.00 23.30 N ATOM 1023 CA PRO A 73 -3.430 3.178 -10.334 1.00 51.02 C ATOM 1024 C PRO A 73 -2.348 3.112 -11.407 1.00 24.44 C ATOM 1025 O PRO A 73 -2.625 2.904 -12.588 1.00 23.34 O ATOM 1026 CB PRO A 73 -3.811 1.770 -9.871 1.00 72.32 C ATOM 1027 CG PRO A 73 -5.002 1.411 -10.691 1.00 34.33 C ATOM 1028 CD PRO A 73 -5.746 2.696 -10.925 1.00 70.12 C ATOM 0 HA PRO A 73 -3.009 3.801 -9.545 1.00 51.02 H new ATOM 0 HB2 PRO A 73 -2.994 1.066 -10.030 1.00 72.32 H new ATOM 0 HB3 PRO A 73 -4.044 1.753 -8.806 1.00 72.32 H new ATOM 0 HG2 PRO A 73 -4.703 0.956 -11.635 1.00 34.33 H new ATOM 0 HG3 PRO A 73 -5.629 0.686 -10.172 1.00 34.33 H new ATOM 0 HD2 PRO A 73 -6.241 2.703 -11.896 1.00 70.12 H new ATOM 0 HD3 PRO A 73 -6.518 2.856 -10.173 1.00 70.12 H new ATOM 1033 N PRO A 74 -1.087 3.293 -10.990 1.00 73.55 N ATOM 1034 CA PRO A 74 0.061 3.256 -11.901 1.00 44.31 C ATOM 1035 C PRO A 74 0.334 1.853 -12.435 1.00 43.40 C ATOM 1036 O PRO A 74 0.063 0.850 -11.776 1.00 32.20 O ATOM 1037 CB PRO A 74 1.224 3.730 -11.025 1.00 3.43 C ATOM 1038 CG PRO A 74 0.812 3.394 -9.634 1.00 21.31 C ATOM 1039 CD PRO A 74 -0.684 3.544 -9.596 1.00 13.14 C ATOM 0 HA PRO A 74 -0.102 3.870 -12.787 1.00 44.31 H new ATOM 0 HB2 PRO A 74 2.153 3.228 -11.295 1.00 3.43 H new ATOM 0 HB3 PRO A 74 1.395 4.800 -11.140 1.00 3.43 H new ATOM 0 HG2 PRO A 74 1.109 2.378 -9.374 1.00 21.31 H new ATOM 0 HG3 PRO A 74 1.289 4.059 -8.914 1.00 21.31 H new ATOM 0 HD2 PRO A 74 -1.142 2.831 -8.911 1.00 13.14 H new ATOM 0 HD3 PRO A 74 -0.980 4.540 -9.265 1.00 13.14 H new ATOM 1044 N PRO A 75 0.884 1.781 -13.656 1.00 74.14 N ATOM 1045 CA PRO A 75 1.207 0.507 -14.303 1.00 14.14 C ATOM 1046 C PRO A 75 2.372 -0.208 -13.629 1.00 75.00 C ATOM 1047 O PRO A 75 3.456 0.350 -13.452 1.00 22.54 O ATOM 1048 CB PRO A 75 1.585 0.919 -15.728 1.00 31.11 C ATOM 1049 CG PRO A 75 2.051 2.329 -15.604 1.00 64.21 C ATOM 1050 CD PRO A 75 1.234 2.937 -14.497 1.00 14.41 C ATOM 0 HA PRO A 75 0.376 -0.197 -14.254 1.00 14.14 H new ATOM 0 HB2 PRO A 75 2.368 0.277 -16.131 1.00 31.11 H new ATOM 0 HB3 PRO A 75 0.732 0.842 -16.402 1.00 31.11 H new ATOM 0 HG2 PRO A 75 3.115 2.370 -15.372 1.00 64.21 H new ATOM 0 HG3 PRO A 75 1.908 2.871 -16.539 1.00 64.21 H new ATOM 0 HD2 PRO A 75 1.803 3.681 -13.940 1.00 14.41 H new ATOM 0 HD3 PRO A 75 0.345 3.438 -14.882 1.00 14.41 H new ATOM 1055 N PRO A 76 2.148 -1.473 -13.241 1.00 13.11 N ATOM 1056 CA PRO A 76 3.169 -2.291 -12.580 1.00 71.01 C ATOM 1057 C PRO A 76 4.302 -2.678 -13.524 1.00 14.33 C ATOM 1058 O PRO A 76 4.228 -2.478 -14.736 1.00 1.25 O ATOM 1059 CB PRO A 76 2.394 -3.534 -12.137 1.00 22.43 C ATOM 1060 CG PRO A 76 1.244 -3.620 -13.079 1.00 4.44 C ATOM 1061 CD PRO A 76 0.880 -2.201 -13.419 1.00 54.13 C ATOM 0 HA PRO A 76 3.652 -1.758 -11.761 1.00 71.01 H new ATOM 0 HB2 PRO A 76 3.016 -4.428 -12.189 1.00 22.43 H new ATOM 0 HB3 PRO A 76 2.054 -3.442 -11.105 1.00 22.43 H new ATOM 0 HG2 PRO A 76 1.514 -4.179 -13.975 1.00 4.44 H new ATOM 0 HG3 PRO A 76 0.402 -4.140 -12.621 1.00 4.44 H new ATOM 0 HD2 PRO A 76 0.507 -2.115 -14.440 1.00 54.13 H new ATOM 0 HD3 PRO A 76 0.100 -1.817 -12.761 1.00 54.13 H new ATOM 1066 N PRO A 77 5.377 -3.246 -12.958 1.00 34.34 N ATOM 1067 CA PRO A 77 6.546 -3.675 -13.732 1.00 0.31 C ATOM 1068 C PRO A 77 6.248 -4.884 -14.612 1.00 14.51 C ATOM 1069 O PRO A 77 5.968 -5.973 -14.111 1.00 20.53 O ATOM 1070 CB PRO A 77 7.571 -4.037 -12.654 1.00 1.13 C ATOM 1071 CG PRO A 77 6.755 -4.390 -11.459 1.00 52.30 C ATOM 1072 CD PRO A 77 5.534 -3.516 -11.519 1.00 20.33 C ATOM 0 HA PRO A 77 6.886 -2.901 -14.420 1.00 0.31 H new ATOM 0 HB2 PRO A 77 8.197 -4.873 -12.967 1.00 1.13 H new ATOM 0 HB3 PRO A 77 8.238 -3.201 -12.445 1.00 1.13 H new ATOM 0 HG2 PRO A 77 6.481 -5.445 -11.471 1.00 52.30 H new ATOM 0 HG3 PRO A 77 7.314 -4.217 -10.540 1.00 52.30 H new ATOM 0 HD2 PRO A 77 4.659 -4.019 -11.107 1.00 20.33 H new ATOM 0 HD3 PRO A 77 5.670 -2.596 -10.950 1.00 20.33 H new