USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 44 GLN : amide:sc= 0.611 K(o=1.4,f=-0.31) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0.808 USER MOD Set 2.1: A 43 SER OG : rot 56:sc= 0.907 USER MOD Set 2.2: A 45 THR OG1 : rot 179:sc= 0.988 USER MOD Set 2.3: A 46 THR OG1 : rot -170:sc= 2.11 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0.64 (180deg=0.632) USER MOD Single : A 15 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0408) USER MOD Single : A 34 MET CE :methyl 177:sc= -1.45 (180deg=-1.48) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0351) USER MOD Single : A 38 TYR OH : rot 58:sc= 0.798 USER MOD Single : A 40 ASN : amide:sc= 0.742 K(o=0.74,f=-0.049) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 56 SER OG : rot 180:sc= 0.114 USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0821) USER MOD Single : A 59 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.023) USER MOD Single : A 60 MET CE :methyl -174:sc= -0.987 (180deg=-1.1) USER MOD Single : A 61 CYS SG : rot -29:sc= 0.209 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -116:sc=-0.00842 (180deg=-0.127) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0381) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 6 3.800 5.445 -0.527 1.00 0.00 N ATOM 16 CA LEU A 6 4.684 6.058 0.453 1.00 0.00 C ATOM 17 C LEU A 6 5.479 5.004 1.223 1.00 0.00 C ATOM 18 O LEU A 6 6.680 5.166 1.421 1.00 0.00 O ATOM 19 CB LEU A 6 3.893 6.979 1.391 1.00 0.00 C ATOM 20 CG LEU A 6 3.562 8.332 0.737 1.00 0.00 C ATOM 21 CD1 LEU A 6 2.525 8.238 -0.391 1.00 0.00 C ATOM 22 CD2 LEU A 6 3.043 9.295 1.812 1.00 0.00 C ATOM 0 HA LEU A 6 5.410 6.673 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.968 6.485 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.469 7.149 2.301 1.00 0.00 H new ATOM 0 HG LEU A 6 4.486 8.693 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.344 9.231 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.901 7.583 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.593 7.834 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.806 10.256 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.145 8.880 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.808 9.434 2.576 1.00 0.00 H new ATOM 34 N GLU A 7 4.833 3.902 1.614 1.00 0.00 N ATOM 35 CA GLU A 7 5.513 2.772 2.235 1.00 0.00 C ATOM 36 C GLU A 7 6.676 2.285 1.363 1.00 0.00 C ATOM 37 O GLU A 7 7.783 2.082 1.858 1.00 0.00 O ATOM 38 CB GLU A 7 4.515 1.635 2.482 1.00 0.00 C ATOM 39 CG GLU A 7 3.403 2.045 3.456 1.00 0.00 C ATOM 40 CD GLU A 7 2.463 0.877 3.729 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.762 0.116 4.674 1.00 0.00 O ATOM 42 OE2 GLU A 7 1.473 0.758 2.974 1.00 0.00 O ATOM 0 H GLU A 7 3.827 3.772 1.508 1.00 0.00 H new ATOM 0 HA GLU A 7 5.924 3.098 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.072 1.330 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.044 0.769 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.842 2.390 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.840 2.881 3.041 1.00 0.00 H new ATOM 49 N GLU A 8 6.426 2.109 0.063 1.00 0.00 N ATOM 50 CA GLU A 8 7.417 1.633 -0.887 1.00 0.00 C ATOM 51 C GLU A 8 8.540 2.658 -1.030 1.00 0.00 C ATOM 52 O GLU A 8 9.708 2.285 -1.046 1.00 0.00 O ATOM 53 CB GLU A 8 6.767 1.330 -2.244 1.00 0.00 C ATOM 54 CG GLU A 8 5.616 0.322 -2.119 1.00 0.00 C ATOM 55 CD GLU A 8 4.996 0.027 -3.480 1.00 0.00 C ATOM 56 OE1 GLU A 8 5.683 -0.642 -4.282 1.00 0.00 O ATOM 57 OE2 GLU A 8 3.852 0.483 -3.695 1.00 0.00 O ATOM 0 H GLU A 8 5.516 2.297 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 8 7.846 0.704 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.392 2.256 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.520 0.937 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.985 -0.603 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.854 0.716 -1.446 1.00 0.00 H new ATOM 64 N LEU A 9 8.201 3.947 -1.123 1.00 0.00 N ATOM 65 CA LEU A 9 9.188 5.024 -1.144 1.00 0.00 C ATOM 66 C LEU A 9 10.069 4.966 0.109 1.00 0.00 C ATOM 67 O LEU A 9 11.289 5.037 -0.004 1.00 0.00 O ATOM 68 CB LEU A 9 8.492 6.393 -1.281 1.00 0.00 C ATOM 69 CG LEU A 9 7.654 6.562 -2.564 1.00 0.00 C ATOM 70 CD1 LEU A 9 6.894 7.894 -2.525 1.00 0.00 C ATOM 71 CD2 LEU A 9 8.525 6.523 -3.824 1.00 0.00 C ATOM 0 H LEU A 9 7.236 4.270 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 9 9.833 4.892 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.844 6.545 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.250 7.176 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 9 6.953 5.728 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.305 8.004 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.231 7.909 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.605 8.717 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.896 6.646 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.257 7.330 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.043 5.566 -3.879 1.00 0.00 H new ATOM 83 N GLU A 10 9.469 4.816 1.294 1.00 0.00 N ATOM 84 CA GLU A 10 10.192 4.735 2.560 1.00 0.00 C ATOM 85 C GLU A 10 11.136 3.531 2.556 1.00 0.00 C ATOM 86 O GLU A 10 12.347 3.678 2.736 1.00 0.00 O ATOM 87 CB GLU A 10 9.186 4.801 3.736 1.00 0.00 C ATOM 88 CG GLU A 10 9.202 3.685 4.791 1.00 0.00 C ATOM 89 CD GLU A 10 10.487 3.646 5.611 1.00 0.00 C ATOM 90 OE1 GLU A 10 10.787 4.684 6.237 1.00 0.00 O ATOM 91 OE2 GLU A 10 11.142 2.581 5.601 1.00 0.00 O ATOM 0 H GLU A 10 8.457 4.747 1.399 1.00 0.00 H new ATOM 0 HA GLU A 10 10.849 5.593 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.347 5.746 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.183 4.837 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.355 3.818 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.067 2.724 4.295 1.00 0.00 H new ATOM 98 N GLN A 11 10.573 2.345 2.324 1.00 0.00 N ATOM 99 CA GLN A 11 11.315 1.095 2.271 1.00 0.00 C ATOM 100 C GLN A 11 12.480 1.247 1.295 1.00 0.00 C ATOM 101 O GLN A 11 13.636 1.019 1.650 1.00 0.00 O ATOM 102 CB GLN A 11 10.371 -0.032 1.834 1.00 0.00 C ATOM 103 CG GLN A 11 9.364 -0.386 2.938 1.00 0.00 C ATOM 104 CD GLN A 11 8.148 -1.142 2.404 1.00 0.00 C ATOM 105 OE1 GLN A 11 8.113 -1.567 1.254 1.00 0.00 O ATOM 106 NE2 GLN A 11 7.128 -1.319 3.239 1.00 0.00 N ATOM 0 H GLN A 11 9.572 2.229 2.166 1.00 0.00 H new ATOM 0 HA GLN A 11 11.717 0.847 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.834 0.270 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.954 -0.916 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.860 -0.992 3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.032 0.529 3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.180 -0.957 4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.294 -1.817 2.927 1.00 0.00 H new ATOM 115 N PHE A 12 12.168 1.660 0.067 1.00 0.00 N ATOM 116 CA PHE A 12 13.146 1.875 -0.980 1.00 0.00 C ATOM 117 C PHE A 12 14.237 2.842 -0.522 1.00 0.00 C ATOM 118 O PHE A 12 15.410 2.524 -0.667 1.00 0.00 O ATOM 119 CB PHE A 12 12.464 2.354 -2.263 1.00 0.00 C ATOM 120 CG PHE A 12 13.463 2.718 -3.339 1.00 0.00 C ATOM 121 CD1 PHE A 12 14.166 1.706 -4.017 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.875 4.056 -3.453 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.300 2.030 -4.781 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.989 4.384 -4.248 1.00 0.00 C ATOM 125 CZ PHE A 12 15.718 3.367 -4.886 1.00 0.00 C ATOM 0 H PHE A 12 11.211 1.856 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 12 13.631 0.924 -1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.802 1.572 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.841 3.220 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.834 0.680 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.337 4.833 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.850 1.251 -5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.283 5.416 -4.367 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.601 3.613 -5.458 1.00 0.00 H new ATOM 135 N ALA A 13 13.885 4.004 0.034 1.00 0.00 N ATOM 136 CA ALA A 13 14.868 4.974 0.509 1.00 0.00 C ATOM 137 C ALA A 13 15.843 4.322 1.501 1.00 0.00 C ATOM 138 O ALA A 13 17.063 4.378 1.326 1.00 0.00 O ATOM 139 CB ALA A 13 14.155 6.195 1.109 1.00 0.00 C ATOM 0 H ALA A 13 12.916 4.295 0.166 1.00 0.00 H new ATOM 0 HA ALA A 13 15.464 5.322 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.896 6.913 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.530 6.662 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.532 5.878 1.945 1.00 0.00 H new ATOM 145 N LYS A 14 15.316 3.669 2.542 1.00 0.00 N ATOM 146 CA LYS A 14 16.156 2.976 3.518 1.00 0.00 C ATOM 147 C LYS A 14 16.990 1.876 2.848 1.00 0.00 C ATOM 148 O LYS A 14 18.141 1.637 3.219 1.00 0.00 O ATOM 149 CB LYS A 14 15.296 2.389 4.648 1.00 0.00 C ATOM 150 CG LYS A 14 15.045 3.371 5.802 1.00 0.00 C ATOM 151 CD LYS A 14 14.197 4.582 5.392 1.00 0.00 C ATOM 152 CE LYS A 14 13.940 5.534 6.566 1.00 0.00 C ATOM 153 NZ LYS A 14 13.243 4.877 7.685 1.00 0.00 N ATOM 0 H LYS A 14 14.315 3.607 2.728 1.00 0.00 H new ATOM 0 HA LYS A 14 16.844 3.704 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.338 2.072 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.785 1.498 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.546 2.845 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 14 16.003 3.720 6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.702 5.123 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.244 4.237 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.890 5.934 6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.347 6.380 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.048 5.575 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.346 4.473 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.841 4.118 8.069 1.00 0.00 H new ATOM 167 N THR A 15 16.406 1.164 1.887 1.00 0.00 N ATOM 168 CA THR A 15 17.090 0.085 1.179 1.00 0.00 C ATOM 169 C THR A 15 18.254 0.654 0.366 1.00 0.00 C ATOM 170 O THR A 15 19.358 0.113 0.393 1.00 0.00 O ATOM 171 CB THR A 15 16.103 -0.710 0.315 1.00 0.00 C ATOM 172 OG1 THR A 15 15.083 -1.235 1.137 1.00 0.00 O ATOM 173 CG2 THR A 15 16.778 -1.887 -0.394 1.00 0.00 C ATOM 0 H THR A 15 15.446 1.319 1.578 1.00 0.00 H new ATOM 0 HA THR A 15 17.506 -0.617 1.902 1.00 0.00 H new ATOM 0 HB THR A 15 15.706 -0.026 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.390 -0.555 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.041 -2.421 -0.994 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.572 -1.515 -1.041 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.202 -2.564 0.348 1.00 0.00 H new ATOM 181 N PHE A 16 18.008 1.764 -0.333 1.00 0.00 N ATOM 182 CA PHE A 16 19.002 2.509 -1.079 1.00 0.00 C ATOM 183 C PHE A 16 20.171 2.832 -0.156 1.00 0.00 C ATOM 184 O PHE A 16 21.307 2.477 -0.459 1.00 0.00 O ATOM 185 CB PHE A 16 18.373 3.761 -1.714 1.00 0.00 C ATOM 186 CG PHE A 16 19.386 4.685 -2.357 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.761 4.482 -3.695 1.00 0.00 C ATOM 188 CD2 PHE A 16 20.013 5.697 -1.600 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.742 5.298 -4.277 1.00 0.00 C ATOM 190 CE2 PHE A 16 21.052 6.458 -2.166 1.00 0.00 C ATOM 191 CZ PHE A 16 21.425 6.247 -3.503 1.00 0.00 C ATOM 0 H PHE A 16 17.077 2.176 -0.392 1.00 0.00 H new ATOM 0 HA PHE A 16 19.385 1.911 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.646 3.452 -2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.825 4.311 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 16 19.295 3.699 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.695 5.888 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 16 20.973 5.195 -5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.562 7.203 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.236 6.814 -3.934 1.00 0.00 H new ATOM 201 N LYS A 17 19.889 3.457 0.991 1.00 0.00 N ATOM 202 CA LYS A 17 20.923 3.771 1.968 1.00 0.00 C ATOM 203 C LYS A 17 21.713 2.520 2.363 1.00 0.00 C ATOM 204 O LYS A 17 22.941 2.522 2.312 1.00 0.00 O ATOM 205 CB LYS A 17 20.289 4.457 3.181 1.00 0.00 C ATOM 206 CG LYS A 17 21.343 4.905 4.203 1.00 0.00 C ATOM 207 CD LYS A 17 20.755 5.801 5.301 1.00 0.00 C ATOM 208 CE LYS A 17 19.751 5.053 6.187 1.00 0.00 C ATOM 209 NZ LYS A 17 19.237 5.920 7.262 1.00 0.00 N ATOM 0 H LYS A 17 18.951 3.754 1.261 1.00 0.00 H new ATOM 0 HA LYS A 17 21.640 4.460 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.715 5.322 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.588 3.773 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.797 4.026 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.139 5.443 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.563 6.191 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.263 6.659 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.921 4.695 5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 17 20.229 4.175 6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.560 5.387 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 20.027 6.242 7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.760 6.745 6.845 1.00 0.00 H new ATOM 223 N GLN A 18 21.025 1.451 2.770 1.00 0.00 N ATOM 224 CA GLN A 18 21.695 0.225 3.187 1.00 0.00 C ATOM 225 C GLN A 18 22.610 -0.315 2.082 1.00 0.00 C ATOM 226 O GLN A 18 23.797 -0.531 2.319 1.00 0.00 O ATOM 227 CB GLN A 18 20.660 -0.811 3.632 1.00 0.00 C ATOM 228 CG GLN A 18 20.092 -0.435 5.007 1.00 0.00 C ATOM 229 CD GLN A 18 18.819 -1.212 5.306 1.00 0.00 C ATOM 230 OE1 GLN A 18 18.824 -2.174 6.066 1.00 0.00 O ATOM 231 NE2 GLN A 18 17.718 -0.791 4.697 1.00 0.00 N ATOM 0 H GLN A 18 20.007 1.413 2.818 1.00 0.00 H new ATOM 0 HA GLN A 18 22.336 0.449 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.854 -0.868 2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.119 -1.798 3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.835 -0.638 5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.884 0.635 5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.757 0.014 4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.833 -1.272 4.854 1.00 0.00 H new ATOM 240 N ARG A 19 22.078 -0.525 0.876 1.00 0.00 N ATOM 241 CA ARG A 19 22.864 -1.025 -0.246 1.00 0.00 C ATOM 242 C ARG A 19 24.052 -0.101 -0.523 1.00 0.00 C ATOM 243 O ARG A 19 25.183 -0.563 -0.647 1.00 0.00 O ATOM 244 CB ARG A 19 21.984 -1.175 -1.491 1.00 0.00 C ATOM 245 CG ARG A 19 21.011 -2.350 -1.345 1.00 0.00 C ATOM 246 CD ARG A 19 20.068 -2.415 -2.549 1.00 0.00 C ATOM 247 NE ARG A 19 19.194 -3.593 -2.471 1.00 0.00 N ATOM 248 CZ ARG A 19 19.486 -4.818 -2.934 1.00 0.00 C ATOM 249 NH1 ARG A 19 20.631 -5.063 -3.582 1.00 0.00 N ATOM 250 NH2 ARG A 19 18.612 -5.810 -2.740 1.00 0.00 N ATOM 0 H ARG A 19 21.097 -0.354 0.654 1.00 0.00 H new ATOM 0 HA ARG A 19 23.255 -2.009 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.424 -0.255 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.613 -1.328 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.568 -3.283 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.433 -2.240 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.462 -1.510 -2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.650 -2.450 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 19 18.285 -3.469 -2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 19 21.303 -4.310 -3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.832 -6.002 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.738 -5.630 -2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.819 -6.747 -3.086 1.00 0.00 H new ATOM 264 N ARG A 20 23.800 1.207 -0.598 1.00 0.00 N ATOM 265 CA ARG A 20 24.828 2.219 -0.786 1.00 0.00 C ATOM 266 C ARG A 20 25.963 2.031 0.232 1.00 0.00 C ATOM 267 O ARG A 20 27.139 2.004 -0.140 1.00 0.00 O ATOM 268 CB ARG A 20 24.177 3.606 -0.678 1.00 0.00 C ATOM 269 CG ARG A 20 25.198 4.708 -0.942 1.00 0.00 C ATOM 270 CD ARG A 20 24.695 6.089 -0.511 1.00 0.00 C ATOM 271 NE ARG A 20 24.569 6.199 0.949 1.00 0.00 N ATOM 272 CZ ARG A 20 25.602 6.338 1.795 1.00 0.00 C ATOM 273 NH1 ARG A 20 26.863 6.331 1.344 1.00 0.00 N ATOM 274 NH2 ARG A 20 25.364 6.482 3.102 1.00 0.00 N ATOM 0 H ARG A 20 22.859 1.594 -0.528 1.00 0.00 H new ATOM 0 HA ARG A 20 25.277 2.122 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.358 3.685 -1.393 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.746 3.734 0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.121 4.479 -0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.439 4.728 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.381 6.854 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.727 6.283 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 20 23.631 6.168 1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 20 27.047 6.219 0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.639 6.438 1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.405 6.486 3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.142 6.588 3.753 1.00 0.00 H new ATOM 288 N ILE A 21 25.609 1.911 1.516 1.00 0.00 N ATOM 289 CA ILE A 21 26.572 1.697 2.587 1.00 0.00 C ATOM 290 C ILE A 21 27.329 0.387 2.357 1.00 0.00 C ATOM 291 O ILE A 21 28.556 0.389 2.406 1.00 0.00 O ATOM 292 CB ILE A 21 25.882 1.774 3.964 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.476 3.234 4.239 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.808 1.268 5.083 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.553 3.380 5.452 1.00 0.00 C ATOM 0 H ILE A 21 24.642 1.961 1.837 1.00 0.00 H new ATOM 0 HA ILE A 21 27.315 2.494 2.578 1.00 0.00 H new ATOM 0 HB ILE A 21 24.999 1.135 3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.374 3.831 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.977 3.638 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.292 1.335 6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.079 0.230 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.710 1.879 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.302 4.431 5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.640 2.809 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 21 25.059 3.004 6.341 1.00 0.00 H new ATOM 307 N LYS A 22 26.632 -0.721 2.086 1.00 0.00 N ATOM 308 CA LYS A 22 27.282 -2.004 1.819 1.00 0.00 C ATOM 309 C LYS A 22 28.292 -1.887 0.669 1.00 0.00 C ATOM 310 O LYS A 22 29.395 -2.421 0.754 1.00 0.00 O ATOM 311 CB LYS A 22 26.239 -3.091 1.522 1.00 0.00 C ATOM 312 CG LYS A 22 25.353 -3.444 2.727 1.00 0.00 C ATOM 313 CD LYS A 22 26.121 -4.211 3.814 1.00 0.00 C ATOM 314 CE LYS A 22 25.174 -4.740 4.899 1.00 0.00 C ATOM 315 NZ LYS A 22 24.467 -3.649 5.594 1.00 0.00 N ATOM 0 H LYS A 22 25.613 -0.753 2.046 1.00 0.00 H new ATOM 0 HA LYS A 22 27.831 -2.293 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.604 -2.758 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.752 -3.991 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.943 -2.529 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.509 -4.045 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 22 26.661 -5.043 3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.866 -3.556 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 22 24.446 -5.414 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.742 -5.323 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.903 -4.042 6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 25.160 -2.973 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.839 -3.161 4.924 1.00 0.00 H new ATOM 329 N LEU A 23 27.925 -1.173 -0.397 1.00 0.00 N ATOM 330 CA LEU A 23 28.809 -0.905 -1.527 1.00 0.00 C ATOM 331 C LEU A 23 29.963 0.036 -1.147 1.00 0.00 C ATOM 332 O LEU A 23 30.948 0.125 -1.875 1.00 0.00 O ATOM 333 CB LEU A 23 27.993 -0.303 -2.680 1.00 0.00 C ATOM 334 CG LEU A 23 26.973 -1.283 -3.285 1.00 0.00 C ATOM 335 CD1 LEU A 23 25.870 -0.514 -4.021 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.660 -2.251 -4.256 1.00 0.00 C ATOM 0 H LEU A 23 26.997 -0.762 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 23 29.254 -1.850 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.467 0.581 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.675 0.029 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 23 26.530 -1.857 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.155 -1.219 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.358 0.146 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.312 0.079 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.920 -2.935 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.127 -1.686 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.422 -2.821 -3.724 1.00 0.00 H new ATOM 348 N GLY A 24 29.845 0.765 -0.033 1.00 0.00 N ATOM 349 CA GLY A 24 30.799 1.788 0.365 1.00 0.00 C ATOM 350 C GLY A 24 30.738 2.990 -0.576 1.00 0.00 C ATOM 351 O GLY A 24 31.715 3.725 -0.718 1.00 0.00 O ATOM 0 H GLY A 24 29.071 0.655 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.589 2.109 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.806 1.371 0.363 1.00 0.00 H new ATOM 355 N PHE A 25 29.589 3.208 -1.221 1.00 0.00 N ATOM 356 CA PHE A 25 29.432 4.278 -2.194 1.00 0.00 C ATOM 357 C PHE A 25 29.021 5.544 -1.456 1.00 0.00 C ATOM 358 O PHE A 25 27.850 5.792 -1.190 1.00 0.00 O ATOM 359 CB PHE A 25 28.494 3.833 -3.323 1.00 0.00 C ATOM 360 CG PHE A 25 29.064 2.768 -4.263 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.422 2.374 -4.214 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.219 2.170 -5.219 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.904 1.370 -5.070 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.705 1.166 -6.076 1.00 0.00 C ATOM 365 CZ PHE A 25 30.047 0.763 -6.000 1.00 0.00 C ATOM 0 H PHE A 25 28.748 2.648 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 25 30.369 4.513 -2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.575 3.449 -2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.222 4.708 -3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.093 2.849 -3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.189 2.485 -5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.938 1.064 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.044 0.704 -6.794 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.419 -0.011 -6.655 1.00 0.00 H new ATOM 413 N ASP A 29 30.577 9.511 -4.044 1.00 0.00 N ATOM 414 CA ASP A 29 30.429 8.537 -5.122 1.00 0.00 C ATOM 415 C ASP A 29 29.063 8.682 -5.793 1.00 0.00 C ATOM 416 O ASP A 29 28.987 8.822 -7.013 1.00 0.00 O ATOM 417 CB ASP A 29 30.620 7.105 -4.604 1.00 0.00 C ATOM 418 CG ASP A 29 30.477 6.093 -5.738 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.320 5.703 -6.011 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.526 5.740 -6.317 1.00 0.00 O ATOM 0 HA ASP A 29 31.205 8.736 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.604 7.008 -4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.885 6.894 -3.827 1.00 0.00 H new ATOM 425 N VAL A 30 27.990 8.650 -4.995 1.00 0.00 N ATOM 426 CA VAL A 30 26.634 8.771 -5.509 1.00 0.00 C ATOM 427 C VAL A 30 26.504 10.060 -6.314 1.00 0.00 C ATOM 428 O VAL A 30 26.148 10.005 -7.485 1.00 0.00 O ATOM 429 CB VAL A 30 25.587 8.655 -4.378 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.167 8.934 -4.888 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.593 7.242 -3.788 1.00 0.00 C ATOM 0 H VAL A 30 28.043 8.540 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 30 26.429 7.940 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 30 25.858 9.394 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.460 8.843 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.119 9.943 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.912 8.215 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.850 7.177 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.353 6.521 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.580 7.022 -3.382 1.00 0.00 H new ATOM 441 N GLY A 31 26.812 11.208 -5.711 1.00 0.00 N ATOM 442 CA GLY A 31 26.761 12.505 -6.366 1.00 0.00 C ATOM 443 C GLY A 31 27.492 12.491 -7.706 1.00 0.00 C ATOM 444 O GLY A 31 26.941 12.926 -8.712 1.00 0.00 O ATOM 0 H GLY A 31 27.109 11.258 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.721 12.793 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.207 13.258 -5.716 1.00 0.00 H new ATOM 448 N LEU A 32 28.720 11.969 -7.730 1.00 0.00 N ATOM 449 CA LEU A 32 29.551 11.935 -8.928 1.00 0.00 C ATOM 450 C LEU A 32 28.912 11.071 -10.010 1.00 0.00 C ATOM 451 O LEU A 32 28.714 11.505 -11.145 1.00 0.00 O ATOM 452 CB LEU A 32 30.934 11.395 -8.550 1.00 0.00 C ATOM 453 CG LEU A 32 31.987 11.520 -9.664 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.324 12.984 -9.972 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.263 10.794 -9.224 1.00 0.00 C ATOM 0 H LEU A 32 29.166 11.556 -6.911 1.00 0.00 H new ATOM 0 HA LEU A 32 29.648 12.943 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.290 11.927 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.838 10.345 -8.273 1.00 0.00 H new ATOM 0 HG LEU A 32 31.576 11.073 -10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 32 33.071 13.026 -10.764 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.423 13.505 -10.295 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.718 13.463 -9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 34.017 10.876 -10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.641 11.246 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 32 33.040 9.742 -9.044 1.00 0.00 H new ATOM 467 N ALA A 33 28.609 9.824 -9.651 1.00 0.00 N ATOM 468 CA ALA A 33 28.022 8.859 -10.568 1.00 0.00 C ATOM 469 C ALA A 33 26.707 9.405 -11.130 1.00 0.00 C ATOM 470 O ALA A 33 26.487 9.420 -12.339 1.00 0.00 O ATOM 471 CB ALA A 33 27.821 7.534 -9.832 1.00 0.00 C ATOM 0 H ALA A 33 28.766 9.458 -8.712 1.00 0.00 H new ATOM 0 HA ALA A 33 28.688 8.685 -11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.381 6.804 -10.511 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.783 7.166 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.155 7.687 -8.983 1.00 0.00 H new ATOM 477 N MET A 34 25.841 9.894 -10.244 1.00 0.00 N ATOM 478 CA MET A 34 24.599 10.547 -10.615 1.00 0.00 C ATOM 479 C MET A 34 24.877 11.749 -11.509 1.00 0.00 C ATOM 480 O MET A 34 24.156 11.969 -12.471 1.00 0.00 O ATOM 481 CB MET A 34 23.856 10.997 -9.357 1.00 0.00 C ATOM 482 CG MET A 34 23.402 9.820 -8.485 1.00 0.00 C ATOM 483 SD MET A 34 21.668 9.339 -8.606 1.00 0.00 S ATOM 484 CE MET A 34 21.461 9.185 -10.383 1.00 0.00 C ATOM 0 H MET A 34 25.990 9.844 -9.236 1.00 0.00 H new ATOM 0 HA MET A 34 23.981 9.838 -11.166 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.504 11.649 -8.771 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.986 11.587 -9.645 1.00 0.00 H new ATOM 0 HG2 MET A 34 24.013 8.954 -8.739 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.614 10.066 -7.445 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.451 8.841 -10.603 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.625 10.154 -10.854 1.00 0.00 H new ATOM 0 HE3 MET A 34 22.182 8.466 -10.772 1.00 0.00 H new ATOM 494 N GLY A 35 25.923 12.512 -11.203 1.00 0.00 N ATOM 495 CA GLY A 35 26.462 13.565 -12.047 1.00 0.00 C ATOM 496 C GLY A 35 26.618 13.090 -13.483 1.00 0.00 C ATOM 497 O GLY A 35 26.070 13.698 -14.399 1.00 0.00 O ATOM 0 H GLY A 35 26.435 12.407 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.803 14.432 -12.017 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.429 13.886 -11.660 1.00 0.00 H new ATOM 501 N LYS A 36 27.355 11.997 -13.676 1.00 0.00 N ATOM 502 CA LYS A 36 27.540 11.425 -15.004 1.00 0.00 C ATOM 503 C LYS A 36 26.207 10.980 -15.623 1.00 0.00 C ATOM 504 O LYS A 36 25.940 11.268 -16.787 1.00 0.00 O ATOM 505 CB LYS A 36 28.538 10.257 -14.959 1.00 0.00 C ATOM 506 CG LYS A 36 29.913 10.624 -14.381 1.00 0.00 C ATOM 507 CD LYS A 36 30.609 11.731 -15.187 1.00 0.00 C ATOM 508 CE LYS A 36 32.056 11.936 -14.725 1.00 0.00 C ATOM 509 NZ LYS A 36 32.125 12.381 -13.322 1.00 0.00 N ATOM 0 H LYS A 36 27.832 11.492 -12.929 1.00 0.00 H new ATOM 0 HA LYS A 36 27.951 12.207 -15.643 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.110 9.451 -14.363 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.673 9.870 -15.969 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.795 10.950 -13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.546 9.737 -14.365 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.597 11.474 -16.246 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.056 12.664 -15.079 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.609 11.004 -14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.541 12.674 -15.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.115 12.574 -13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 31.562 13.248 -13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 31.747 11.636 -12.703 1.00 0.00 H new ATOM 523 N LEU A 37 25.388 10.242 -14.868 1.00 0.00 N ATOM 524 CA LEU A 37 24.213 9.565 -15.414 1.00 0.00 C ATOM 525 C LEU A 37 22.977 10.464 -15.591 1.00 0.00 C ATOM 526 O LEU A 37 22.141 10.171 -16.442 1.00 0.00 O ATOM 527 CB LEU A 37 23.889 8.335 -14.553 1.00 0.00 C ATOM 528 CG LEU A 37 25.002 7.275 -14.504 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.551 6.116 -13.610 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.364 6.725 -15.889 1.00 0.00 C ATOM 0 H LEU A 37 25.521 10.099 -13.867 1.00 0.00 H new ATOM 0 HA LEU A 37 24.473 9.260 -16.427 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.676 8.666 -13.537 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.980 7.870 -14.934 1.00 0.00 H new ATOM 0 HG LEU A 37 25.892 7.760 -14.104 1.00 0.00 H new ATOM 0 HD11 LEU A 37 25.336 5.360 -13.571 1.00 0.00 H new ATOM 0 HD12 LEU A 37 24.354 6.487 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.642 5.674 -14.018 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.155 5.981 -15.790 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.485 6.262 -16.338 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.710 7.540 -16.525 1.00 0.00 H new ATOM 542 N TYR A 38 22.817 11.510 -14.773 1.00 0.00 N ATOM 543 CA TYR A 38 21.625 12.359 -14.721 1.00 0.00 C ATOM 544 C TYR A 38 21.999 13.816 -14.420 1.00 0.00 C ATOM 545 O TYR A 38 21.714 14.712 -15.210 1.00 0.00 O ATOM 546 CB TYR A 38 20.647 11.874 -13.635 1.00 0.00 C ATOM 547 CG TYR A 38 19.999 10.515 -13.832 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.706 9.362 -13.449 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.620 10.421 -14.101 1.00 0.00 C ATOM 550 CE1 TYR A 38 20.043 8.134 -13.297 1.00 0.00 C ATOM 551 CE2 TYR A 38 17.948 9.197 -13.927 1.00 0.00 C ATOM 552 CZ TYR A 38 18.662 8.055 -13.525 1.00 0.00 C ATOM 553 OH TYR A 38 17.979 6.936 -13.163 1.00 0.00 O ATOM 0 H TYR A 38 23.536 11.797 -14.109 1.00 0.00 H new ATOM 0 HA TYR A 38 21.148 12.297 -15.699 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.181 11.858 -12.685 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.853 12.615 -13.542 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.769 9.421 -13.270 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.077 11.290 -14.442 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.595 7.253 -13.005 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.884 9.135 -14.102 1.00 0.00 H new ATOM 0 HH TYR A 38 18.098 6.776 -12.204 1.00 0.00 H new ATOM 563 N GLY A 39 22.568 14.061 -13.236 1.00 0.00 N ATOM 564 CA GLY A 39 22.801 15.386 -12.686 1.00 0.00 C ATOM 565 C GLY A 39 23.351 15.247 -11.266 1.00 0.00 C ATOM 566 O GLY A 39 22.926 14.368 -10.514 1.00 0.00 O ATOM 0 H GLY A 39 22.887 13.314 -12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.506 15.934 -13.311 1.00 0.00 H new ATOM 0 HA3 GLY A 39 21.873 15.958 -12.676 1.00 0.00 H new ATOM 570 N ASN A 40 24.318 16.094 -10.895 1.00 0.00 N ATOM 571 CA ASN A 40 25.096 15.927 -9.669 1.00 0.00 C ATOM 572 C ASN A 40 24.346 16.477 -8.454 1.00 0.00 C ATOM 573 O ASN A 40 24.823 17.391 -7.782 1.00 0.00 O ATOM 574 CB ASN A 40 26.486 16.564 -9.849 1.00 0.00 C ATOM 575 CG ASN A 40 27.518 16.056 -8.838 1.00 0.00 C ATOM 576 OD1 ASN A 40 28.525 15.468 -9.221 1.00 0.00 O ATOM 577 ND2 ASN A 40 27.311 16.295 -7.548 1.00 0.00 N ATOM 0 H ASN A 40 24.581 16.915 -11.440 1.00 0.00 H new ATOM 0 HA ASN A 40 25.239 14.864 -9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.844 16.360 -10.858 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.397 17.646 -9.755 1.00 0.00 H new ATOM 0 HD21 ASN A 40 27.995 15.988 -6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.468 16.785 -7.249 1.00 0.00 H new ATOM 584 N ASP A 41 23.172 15.915 -8.161 1.00 0.00 N ATOM 585 CA ASP A 41 22.468 16.184 -6.910 1.00 0.00 C ATOM 586 C ASP A 41 23.083 15.294 -5.822 1.00 0.00 C ATOM 587 O ASP A 41 24.248 14.909 -5.921 1.00 0.00 O ATOM 588 CB ASP A 41 20.952 16.019 -7.124 1.00 0.00 C ATOM 589 CG ASP A 41 20.132 16.911 -6.199 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.434 16.897 -4.986 1.00 0.00 O ATOM 591 OD2 ASP A 41 19.211 17.581 -6.712 1.00 0.00 O ATOM 0 H ASP A 41 22.687 15.266 -8.780 1.00 0.00 H new ATOM 0 HA ASP A 41 22.588 17.213 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.707 16.253 -8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.676 14.978 -6.958 1.00 0.00 H new ATOM 596 N PHE A 42 22.313 14.923 -4.799 1.00 0.00 N ATOM 597 CA PHE A 42 22.706 13.891 -3.844 1.00 0.00 C ATOM 598 C PHE A 42 23.937 14.297 -3.033 1.00 0.00 C ATOM 599 O PHE A 42 24.711 13.449 -2.594 1.00 0.00 O ATOM 600 CB PHE A 42 22.871 12.543 -4.567 1.00 0.00 C ATOM 601 CG PHE A 42 21.812 12.305 -5.633 1.00 0.00 C ATOM 602 CD1 PHE A 42 20.479 12.083 -5.244 1.00 0.00 C ATOM 603 CD2 PHE A 42 22.095 12.606 -6.982 1.00 0.00 C ATOM 604 CE1 PHE A 42 19.445 12.134 -6.193 1.00 0.00 C ATOM 605 CE2 PHE A 42 21.061 12.641 -7.934 1.00 0.00 C ATOM 606 CZ PHE A 42 19.734 12.411 -7.539 1.00 0.00 C ATOM 0 H PHE A 42 21.398 15.331 -4.610 1.00 0.00 H new ATOM 0 HA PHE A 42 21.910 13.772 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 42 23.858 12.503 -5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.829 11.737 -3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 42 20.249 11.872 -4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 42 23.111 12.811 -7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.424 11.960 -5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 42 21.288 12.845 -8.970 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.938 12.447 -8.268 1.00 0.00 H new ATOM 616 N SER A 43 24.080 15.599 -2.778 1.00 0.00 N ATOM 617 CA SER A 43 25.169 16.211 -2.036 1.00 0.00 C ATOM 618 C SER A 43 24.979 15.985 -0.534 1.00 0.00 C ATOM 619 O SER A 43 24.937 16.945 0.233 1.00 0.00 O ATOM 620 CB SER A 43 25.123 17.705 -2.385 1.00 0.00 C ATOM 621 OG SER A 43 23.774 18.146 -2.317 1.00 0.00 O ATOM 0 H SER A 43 23.400 16.286 -3.104 1.00 0.00 H new ATOM 0 HA SER A 43 26.135 15.779 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.742 18.274 -1.692 1.00 0.00 H new ATOM 0 HB3 SER A 43 25.526 17.873 -3.384 1.00 0.00 H new ATOM 0 HG SER A 43 23.406 17.938 -1.433 1.00 0.00 H new ATOM 627 N GLN A 44 24.818 14.725 -0.121 1.00 0.00 N ATOM 628 CA GLN A 44 24.398 14.307 1.212 1.00 0.00 C ATOM 629 C GLN A 44 22.954 14.743 1.466 1.00 0.00 C ATOM 630 O GLN A 44 22.072 13.892 1.551 1.00 0.00 O ATOM 631 CB GLN A 44 25.362 14.807 2.307 1.00 0.00 C ATOM 632 CG GLN A 44 25.152 14.110 3.660 1.00 0.00 C ATOM 633 CD GLN A 44 25.311 12.596 3.563 1.00 0.00 C ATOM 634 OE1 GLN A 44 26.424 12.083 3.478 1.00 0.00 O ATOM 635 NE2 GLN A 44 24.198 11.868 3.552 1.00 0.00 N ATOM 0 H GLN A 44 24.986 13.932 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 44 24.436 13.219 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.389 14.648 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.231 15.882 2.435 1.00 0.00 H new ATOM 0 HG2 GLN A 44 25.867 14.502 4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.156 14.345 4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 44 23.289 12.325 3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 44 24.253 10.853 3.471 1.00 0.00 H new ATOM 644 N THR A 45 22.732 16.058 1.560 1.00 0.00 N ATOM 645 CA THR A 45 21.470 16.742 1.800 1.00 0.00 C ATOM 646 C THR A 45 20.282 15.940 1.279 1.00 0.00 C ATOM 647 O THR A 45 19.530 15.359 2.051 1.00 0.00 O ATOM 648 CB THR A 45 21.525 18.132 1.140 1.00 0.00 C ATOM 649 OG1 THR A 45 21.953 18.016 -0.209 1.00 0.00 O ATOM 650 CG2 THR A 45 22.488 19.066 1.879 1.00 0.00 C ATOM 0 H THR A 45 23.500 16.722 1.461 1.00 0.00 H new ATOM 0 HA THR A 45 21.328 16.849 2.875 1.00 0.00 H new ATOM 0 HB THR A 45 20.520 18.553 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 45 21.968 18.903 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.502 20.038 1.386 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.158 19.187 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.491 18.639 1.867 1.00 0.00 H new ATOM 658 N THR A 46 20.121 15.905 -0.038 1.00 0.00 N ATOM 659 CA THR A 46 19.032 15.263 -0.757 1.00 0.00 C ATOM 660 C THR A 46 18.851 13.788 -0.366 1.00 0.00 C ATOM 661 O THR A 46 17.722 13.315 -0.254 1.00 0.00 O ATOM 662 CB THR A 46 19.334 15.482 -2.243 1.00 0.00 C ATOM 663 OG1 THR A 46 19.763 16.827 -2.378 1.00 0.00 O ATOM 664 CG2 THR A 46 18.158 15.237 -3.188 1.00 0.00 C ATOM 0 H THR A 46 20.788 16.351 -0.668 1.00 0.00 H new ATOM 0 HA THR A 46 18.067 15.700 -0.500 1.00 0.00 H new ATOM 0 HB THR A 46 20.087 14.750 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 46 19.814 17.060 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.473 15.418 -4.216 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.820 14.205 -3.089 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.341 15.912 -2.935 1.00 0.00 H new ATOM 672 N ILE A 47 19.943 13.057 -0.130 1.00 0.00 N ATOM 673 CA ILE A 47 19.895 11.641 0.222 1.00 0.00 C ATOM 674 C ILE A 47 19.440 11.482 1.678 1.00 0.00 C ATOM 675 O ILE A 47 18.497 10.743 1.962 1.00 0.00 O ATOM 676 CB ILE A 47 21.256 10.995 -0.122 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.402 10.800 -1.640 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.547 9.680 0.609 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.323 9.936 -2.306 1.00 0.00 C ATOM 0 H ILE A 47 20.889 13.435 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 47 19.151 11.101 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 47 22.001 11.704 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.401 11.781 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.375 10.351 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.523 9.302 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.545 9.854 1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.780 8.947 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.523 9.865 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.334 8.938 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.345 10.391 -2.149 1.00 0.00 H new ATOM 691 N SER A 48 20.047 12.225 2.602 1.00 0.00 N ATOM 692 CA SER A 48 19.588 12.282 3.982 1.00 0.00 C ATOM 693 C SER A 48 18.102 12.661 4.043 1.00 0.00 C ATOM 694 O SER A 48 17.311 11.994 4.705 1.00 0.00 O ATOM 695 CB SER A 48 20.471 13.269 4.749 1.00 0.00 C ATOM 696 OG SER A 48 21.822 12.846 4.661 1.00 0.00 O ATOM 0 H SER A 48 20.867 12.801 2.413 1.00 0.00 H new ATOM 0 HA SER A 48 19.675 11.302 4.450 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.363 14.271 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.160 13.320 5.792 1.00 0.00 H new ATOM 0 HG SER A 48 22.394 13.475 5.149 1.00 0.00 H new ATOM 702 N ARG A 49 17.716 13.716 3.323 1.00 0.00 N ATOM 703 CA ARG A 49 16.341 14.174 3.204 1.00 0.00 C ATOM 704 C ARG A 49 15.445 13.072 2.635 1.00 0.00 C ATOM 705 O ARG A 49 14.322 12.901 3.108 1.00 0.00 O ATOM 706 CB ARG A 49 16.281 15.452 2.355 1.00 0.00 C ATOM 707 CG ARG A 49 16.805 16.666 3.137 1.00 0.00 C ATOM 708 CD ARG A 49 16.715 17.953 2.310 1.00 0.00 C ATOM 709 NE ARG A 49 17.546 17.888 1.099 1.00 0.00 N ATOM 710 CZ ARG A 49 17.568 18.833 0.146 1.00 0.00 C ATOM 711 NH1 ARG A 49 16.837 19.942 0.297 1.00 0.00 N ATOM 712 NH2 ARG A 49 18.311 18.680 -0.958 1.00 0.00 N ATOM 0 H ARG A 49 18.374 14.288 2.794 1.00 0.00 H new ATOM 0 HA ARG A 49 15.963 14.413 4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.872 15.318 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.253 15.635 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.231 16.783 4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 49 17.841 16.492 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.677 18.131 2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.030 18.799 2.921 1.00 0.00 H new ATOM 0 HE ARG A 49 18.145 17.072 0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.266 20.067 1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.850 20.663 -0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.870 17.836 -1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.317 19.407 -1.673 1.00 0.00 H new ATOM 726 N PHE A 50 15.922 12.318 1.637 1.00 0.00 N ATOM 727 CA PHE A 50 15.183 11.189 1.099 1.00 0.00 C ATOM 728 C PHE A 50 14.875 10.187 2.200 1.00 0.00 C ATOM 729 O PHE A 50 13.713 9.877 2.431 1.00 0.00 O ATOM 730 CB PHE A 50 15.967 10.491 -0.014 1.00 0.00 C ATOM 731 CG PHE A 50 15.238 9.397 -0.778 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.836 9.398 -0.936 1.00 0.00 C ATOM 733 CD2 PHE A 50 16.004 8.408 -1.418 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.228 8.497 -1.828 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.388 7.470 -2.258 1.00 0.00 C ATOM 736 CZ PHE A 50 14.011 7.564 -2.523 1.00 0.00 C ATOM 0 H PHE A 50 16.824 12.478 1.189 1.00 0.00 H new ATOM 0 HA PHE A 50 14.252 11.573 0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.291 11.248 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.867 10.059 0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.230 10.091 -0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 50 17.072 8.370 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.159 8.523 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.971 6.676 -2.701 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.557 6.919 -3.260 1.00 0.00 H new ATOM 746 N GLU A 51 15.905 9.694 2.891 1.00 0.00 N ATOM 747 CA GLU A 51 15.693 8.731 3.973 1.00 0.00 C ATOM 748 C GLU A 51 14.928 9.331 5.160 1.00 0.00 C ATOM 749 O GLU A 51 14.259 8.596 5.879 1.00 0.00 O ATOM 750 CB GLU A 51 16.994 8.054 4.418 1.00 0.00 C ATOM 751 CG GLU A 51 17.436 6.961 3.434 1.00 0.00 C ATOM 752 CD GLU A 51 18.194 7.526 2.237 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.365 7.910 2.447 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.600 7.554 1.139 1.00 0.00 O ATOM 0 H GLU A 51 16.880 9.941 2.724 1.00 0.00 H new ATOM 0 HA GLU A 51 15.057 7.951 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.781 8.803 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.856 7.618 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.069 6.242 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.559 6.418 3.082 1.00 0.00 H new ATOM 761 N ALA A 52 14.981 10.648 5.366 1.00 0.00 N ATOM 762 CA ALA A 52 14.114 11.322 6.330 1.00 0.00 C ATOM 763 C ALA A 52 12.675 11.473 5.807 1.00 0.00 C ATOM 764 O ALA A 52 11.812 11.969 6.526 1.00 0.00 O ATOM 765 CB ALA A 52 14.706 12.690 6.680 1.00 0.00 C ATOM 0 H ALA A 52 15.621 11.272 4.873 1.00 0.00 H new ATOM 0 HA ALA A 52 14.062 10.705 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.059 13.193 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.697 12.557 7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.783 13.295 5.777 1.00 0.00 H new ATOM 771 N LEU A 53 12.422 11.089 4.552 1.00 0.00 N ATOM 772 CA LEU A 53 11.184 11.295 3.817 1.00 0.00 C ATOM 773 C LEU A 53 10.721 12.756 3.891 1.00 0.00 C ATOM 774 O LEU A 53 9.535 13.052 4.014 1.00 0.00 O ATOM 775 CB LEU A 53 10.103 10.266 4.200 1.00 0.00 C ATOM 776 CG LEU A 53 10.334 8.824 3.698 1.00 0.00 C ATOM 777 CD1 LEU A 53 10.418 8.694 2.172 1.00 0.00 C ATOM 778 CD2 LEU A 53 11.510 8.134 4.394 1.00 0.00 C ATOM 0 H LEU A 53 13.121 10.598 3.995 1.00 0.00 H new ATOM 0 HA LEU A 53 11.384 11.107 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.020 10.243 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.145 10.615 3.815 1.00 0.00 H new ATOM 0 HG LEU A 53 9.429 8.289 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.581 7.650 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.487 9.042 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.246 9.298 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.624 7.124 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.424 8.700 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.321 8.086 5.466 1.00 0.00 H new ATOM 790 N ASN A 54 11.674 13.679 3.750 1.00 0.00 N ATOM 791 CA ASN A 54 11.430 15.114 3.826 1.00 0.00 C ATOM 792 C ASN A 54 10.856 15.668 2.520 1.00 0.00 C ATOM 793 O ASN A 54 10.052 16.595 2.537 1.00 0.00 O ATOM 794 CB ASN A 54 12.740 15.819 4.193 1.00 0.00 C ATOM 795 CG ASN A 54 12.631 17.336 4.083 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.227 17.938 3.196 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.882 17.967 4.981 1.00 0.00 N ATOM 0 H ASN A 54 12.651 13.443 3.577 1.00 0.00 H new ATOM 0 HA ASN A 54 10.682 15.302 4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.022 15.550 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.536 15.466 3.538 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.790 18.982 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.399 17.436 5.706 1.00 0.00 H new ATOM 804 N LEU A 55 11.275 15.120 1.377 1.00 0.00 N ATOM 805 CA LEU A 55 10.993 15.677 0.053 1.00 0.00 C ATOM 806 C LEU A 55 9.577 15.313 -0.435 1.00 0.00 C ATOM 807 O LEU A 55 9.413 14.797 -1.540 1.00 0.00 O ATOM 808 CB LEU A 55 12.076 15.197 -0.930 1.00 0.00 C ATOM 809 CG LEU A 55 13.521 15.446 -0.458 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.504 14.790 -1.431 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.833 16.943 -0.354 1.00 0.00 C ATOM 0 H LEU A 55 11.828 14.264 1.345 1.00 0.00 H new ATOM 0 HA LEU A 55 11.019 16.765 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.943 14.129 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.928 15.698 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 55 13.626 15.007 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.525 14.969 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.317 13.717 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.371 15.217 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.861 17.078 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.706 17.410 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.154 17.407 0.361 1.00 0.00 H new ATOM 823 N SER A 56 8.570 15.585 0.402 1.00 0.00 N ATOM 824 CA SER A 56 7.169 15.179 0.333 1.00 0.00 C ATOM 825 C SER A 56 6.617 14.833 -1.058 1.00 0.00 C ATOM 826 O SER A 56 5.970 15.663 -1.693 1.00 0.00 O ATOM 827 CB SER A 56 6.333 16.272 1.007 1.00 0.00 C ATOM 828 OG SER A 56 6.970 16.683 2.202 1.00 0.00 O ATOM 0 H SER A 56 8.738 16.155 1.231 1.00 0.00 H new ATOM 0 HA SER A 56 7.101 14.224 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.215 17.122 0.334 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.333 15.897 1.226 1.00 0.00 H new ATOM 0 HG SER A 56 6.437 17.383 2.633 1.00 0.00 H new ATOM 834 N PHE A 57 6.808 13.580 -1.485 1.00 0.00 N ATOM 835 CA PHE A 57 6.227 12.937 -2.663 1.00 0.00 C ATOM 836 C PHE A 57 6.737 13.493 -4.000 1.00 0.00 C ATOM 837 O PHE A 57 7.256 12.746 -4.829 1.00 0.00 O ATOM 838 CB PHE A 57 4.695 12.907 -2.601 1.00 0.00 C ATOM 839 CG PHE A 57 4.110 11.918 -3.590 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.103 10.545 -3.276 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.765 12.337 -4.890 1.00 0.00 C ATOM 842 CE1 PHE A 57 3.755 9.598 -4.255 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.419 11.388 -5.868 1.00 0.00 C ATOM 844 CZ PHE A 57 3.419 10.019 -5.552 1.00 0.00 C ATOM 0 H PHE A 57 7.420 12.943 -0.975 1.00 0.00 H new ATOM 0 HA PHE A 57 6.582 11.907 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.377 12.643 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.303 13.903 -2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.366 10.219 -2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.766 13.389 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.746 8.546 -4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.153 11.712 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.161 9.291 -6.306 1.00 0.00 H new ATOM 854 N LYS A 58 6.563 14.800 -4.214 1.00 0.00 N ATOM 855 CA LYS A 58 6.872 15.519 -5.442 1.00 0.00 C ATOM 856 C LYS A 58 8.220 15.103 -6.037 1.00 0.00 C ATOM 857 O LYS A 58 8.306 14.763 -7.215 1.00 0.00 O ATOM 858 CB LYS A 58 6.778 17.032 -5.179 1.00 0.00 C ATOM 859 CG LYS A 58 7.738 17.545 -4.091 1.00 0.00 C ATOM 860 CD LYS A 58 7.346 18.959 -3.647 1.00 0.00 C ATOM 861 CE LYS A 58 8.314 19.507 -2.589 1.00 0.00 C ATOM 862 NZ LYS A 58 8.274 18.722 -1.341 1.00 0.00 N ATOM 0 H LYS A 58 6.182 15.413 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 58 6.136 15.255 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.982 17.564 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.756 17.276 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.719 16.871 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.759 17.548 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.337 19.623 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.334 18.947 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.328 19.501 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.063 20.545 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.837 19.202 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.290 18.635 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.667 17.775 -1.514 1.00 0.00 H new ATOM 876 N ASN A 59 9.274 15.114 -5.218 1.00 0.00 N ATOM 877 CA ASN A 59 10.589 14.683 -5.667 1.00 0.00 C ATOM 878 C ASN A 59 10.629 13.163 -5.707 1.00 0.00 C ATOM 879 O ASN A 59 11.145 12.583 -6.663 1.00 0.00 O ATOM 880 CB ASN A 59 11.679 15.195 -4.722 1.00 0.00 C ATOM 881 CG ASN A 59 13.071 15.226 -5.360 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.907 16.026 -4.958 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.355 14.384 -6.351 1.00 0.00 N ATOM 0 H ASN A 59 9.238 15.417 -4.245 1.00 0.00 H new ATOM 0 HA ASN A 59 10.772 15.090 -6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.418 16.199 -4.388 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.708 14.562 -3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.278 14.400 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.650 13.723 -6.676 1.00 0.00 H new ATOM 890 N MET A 60 10.137 12.542 -4.630 1.00 0.00 N ATOM 891 CA MET A 60 10.208 11.107 -4.390 1.00 0.00 C ATOM 892 C MET A 60 9.803 10.300 -5.615 1.00 0.00 C ATOM 893 O MET A 60 10.464 9.327 -5.960 1.00 0.00 O ATOM 894 CB MET A 60 9.347 10.682 -3.209 1.00 0.00 C ATOM 895 CG MET A 60 9.819 11.317 -1.908 1.00 0.00 C ATOM 896 SD MET A 60 8.789 10.894 -0.494 1.00 0.00 S ATOM 897 CE MET A 60 9.768 11.727 0.757 1.00 0.00 C ATOM 0 H MET A 60 9.664 13.046 -3.880 1.00 0.00 H new ATOM 0 HA MET A 60 11.253 10.899 -4.160 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.310 10.963 -3.395 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.371 9.596 -3.113 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.844 11.003 -1.709 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.835 12.401 -2.026 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.363 11.504 1.744 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.800 11.381 0.701 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.736 12.803 0.587 1.00 0.00 H new ATOM 907 N CYS A 61 8.713 10.687 -6.273 1.00 0.00 N ATOM 908 CA CYS A 61 8.210 9.910 -7.399 1.00 0.00 C ATOM 909 C CYS A 61 9.183 9.877 -8.583 1.00 0.00 C ATOM 910 O CYS A 61 9.115 8.965 -9.403 1.00 0.00 O ATOM 911 CB CYS A 61 6.835 10.435 -7.818 1.00 0.00 C ATOM 912 SG CYS A 61 6.078 9.276 -8.984 1.00 0.00 S ATOM 0 H CYS A 61 8.169 11.521 -6.050 1.00 0.00 H new ATOM 0 HA CYS A 61 8.112 8.876 -7.068 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.197 10.555 -6.942 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.934 11.418 -8.278 1.00 0.00 H new ATOM 0 HG CYS A 61 7.009 8.660 -9.650 1.00 0.00 H new ATOM 917 N LYS A 62 10.095 10.849 -8.681 1.00 0.00 N ATOM 918 CA LYS A 62 11.179 10.828 -9.657 1.00 0.00 C ATOM 919 C LYS A 62 12.381 10.109 -9.037 1.00 0.00 C ATOM 920 O LYS A 62 12.942 9.171 -9.600 1.00 0.00 O ATOM 921 CB LYS A 62 11.539 12.266 -10.055 1.00 0.00 C ATOM 922 CG LYS A 62 10.305 13.046 -10.526 1.00 0.00 C ATOM 923 CD LYS A 62 10.726 14.426 -11.039 1.00 0.00 C ATOM 924 CE LYS A 62 9.492 15.247 -11.427 1.00 0.00 C ATOM 925 NZ LYS A 62 9.870 16.581 -11.925 1.00 0.00 N ATOM 0 H LYS A 62 10.099 11.674 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 62 10.874 10.295 -10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.991 12.777 -9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.285 12.249 -10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.795 12.495 -11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.597 13.154 -9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.293 14.950 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.384 14.316 -11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.927 14.717 -12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.836 15.352 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.013 17.112 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.388 17.094 -11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.476 16.479 -12.764 1.00 0.00 H new ATOM 939 N LEU A 63 12.753 10.569 -7.844 1.00 0.00 N ATOM 940 CA LEU A 63 13.858 10.108 -7.019 1.00 0.00 C ATOM 941 C LEU A 63 13.890 8.581 -6.902 1.00 0.00 C ATOM 942 O LEU A 63 14.955 7.985 -7.022 1.00 0.00 O ATOM 943 CB LEU A 63 13.646 10.756 -5.652 1.00 0.00 C ATOM 944 CG LEU A 63 14.704 10.640 -4.553 1.00 0.00 C ATOM 945 CD1 LEU A 63 16.061 11.139 -5.049 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.266 11.531 -3.385 1.00 0.00 C ATOM 0 H LEU A 63 12.247 11.334 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 63 14.815 10.387 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.480 11.819 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.719 10.351 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 63 14.799 9.596 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.797 11.047 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.377 10.542 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.978 12.184 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.003 11.469 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.186 12.563 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.298 11.195 -3.014 1.00 0.00 H new ATOM 958 N LYS A 64 12.744 7.937 -6.653 1.00 0.00 N ATOM 959 CA LYS A 64 12.702 6.499 -6.447 1.00 0.00 C ATOM 960 C LYS A 64 13.138 5.742 -7.705 1.00 0.00 C ATOM 961 O LYS A 64 14.173 5.082 -7.652 1.00 0.00 O ATOM 962 CB LYS A 64 11.363 6.057 -5.840 1.00 0.00 C ATOM 963 CG LYS A 64 11.322 4.546 -5.555 1.00 0.00 C ATOM 964 CD LYS A 64 10.491 3.762 -6.579 1.00 0.00 C ATOM 965 CE LYS A 64 10.479 2.264 -6.246 1.00 0.00 C ATOM 966 NZ LYS A 64 9.775 1.981 -4.982 1.00 0.00 N ATOM 0 H LYS A 64 11.836 8.397 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 64 13.442 6.224 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.188 6.604 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.554 6.318 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.340 4.156 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.910 4.381 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.470 4.143 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.901 3.913 -7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.999 1.717 -7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.504 1.900 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.446 1.587 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.368 2.861 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.013 1.294 -5.155 1.00 0.00 H new ATOM 980 N PRO A 65 12.421 5.820 -8.841 1.00 0.00 N ATOM 981 CA PRO A 65 12.867 5.166 -10.061 1.00 0.00 C ATOM 982 C PRO A 65 14.275 5.628 -10.455 1.00 0.00 C ATOM 983 O PRO A 65 15.091 4.807 -10.867 1.00 0.00 O ATOM 984 CB PRO A 65 11.809 5.464 -11.128 1.00 0.00 C ATOM 985 CG PRO A 65 11.067 6.687 -10.593 1.00 0.00 C ATOM 986 CD PRO A 65 11.177 6.535 -9.075 1.00 0.00 C ATOM 0 HA PRO A 65 12.957 4.088 -9.930 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.267 5.668 -12.096 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.135 4.619 -11.267 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.523 7.615 -10.938 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.028 6.701 -10.921 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.186 7.508 -8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.327 5.983 -8.674 1.00 0.00 H new ATOM 994 N LEU A 66 14.581 6.920 -10.294 1.00 0.00 N ATOM 995 CA LEU A 66 15.899 7.467 -10.592 1.00 0.00 C ATOM 996 C LEU A 66 17.005 6.699 -9.863 1.00 0.00 C ATOM 997 O LEU A 66 17.929 6.169 -10.494 1.00 0.00 O ATOM 998 CB LEU A 66 15.898 8.969 -10.251 1.00 0.00 C ATOM 999 CG LEU A 66 17.223 9.705 -10.510 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.945 11.121 -11.028 1.00 0.00 C ATOM 1001 CD2 LEU A 66 18.071 9.814 -9.240 1.00 0.00 C ATOM 0 H LEU A 66 13.916 7.614 -9.952 1.00 0.00 H new ATOM 0 HA LEU A 66 16.114 7.351 -11.654 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.113 9.455 -10.830 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.637 9.085 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 66 17.772 9.125 -11.252 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.889 11.634 -11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.380 11.064 -11.958 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.368 11.673 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.998 10.340 -9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.518 10.364 -8.479 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.302 8.815 -8.870 1.00 0.00 H new ATOM 1013 N LEU A 67 16.914 6.644 -8.532 1.00 0.00 N ATOM 1014 CA LEU A 67 17.899 5.987 -7.697 1.00 0.00 C ATOM 1015 C LEU A 67 17.829 4.477 -7.859 1.00 0.00 C ATOM 1016 O LEU A 67 18.846 3.810 -7.725 1.00 0.00 O ATOM 1017 CB LEU A 67 17.710 6.379 -6.229 1.00 0.00 C ATOM 1018 CG LEU A 67 18.064 7.839 -5.919 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.773 8.159 -4.458 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.523 8.208 -6.201 1.00 0.00 C ATOM 0 H LEU A 67 16.145 7.061 -8.008 1.00 0.00 H new ATOM 0 HA LEU A 67 18.887 6.317 -8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.672 6.201 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.325 5.728 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 67 17.440 8.427 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.030 9.199 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.714 8.001 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.367 7.507 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.687 9.257 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.180 7.585 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.742 8.045 -7.256 1.00 0.00 H new ATOM 1032 N GLU A 68 16.649 3.922 -8.134 1.00 0.00 N ATOM 1033 CA GLU A 68 16.504 2.501 -8.389 1.00 0.00 C ATOM 1034 C GLU A 68 17.298 2.129 -9.644 1.00 0.00 C ATOM 1035 O GLU A 68 18.062 1.164 -9.631 1.00 0.00 O ATOM 1036 CB GLU A 68 15.013 2.157 -8.485 1.00 0.00 C ATOM 1037 CG GLU A 68 14.741 0.649 -8.478 1.00 0.00 C ATOM 1038 CD GLU A 68 13.256 0.376 -8.255 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.452 0.931 -9.035 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.949 -0.360 -7.292 1.00 0.00 O ATOM 0 H GLU A 68 15.776 4.446 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 68 16.914 1.908 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.485 2.619 -7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.605 2.589 -9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.059 0.211 -9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.327 0.171 -7.693 1.00 0.00 H new ATOM 1047 N LYS A 69 17.166 2.918 -10.717 1.00 0.00 N ATOM 1048 CA LYS A 69 17.933 2.679 -11.928 1.00 0.00 C ATOM 1049 C LYS A 69 19.426 2.901 -11.659 1.00 0.00 C ATOM 1050 O LYS A 69 20.253 2.104 -12.105 1.00 0.00 O ATOM 1051 CB LYS A 69 17.391 3.538 -13.077 1.00 0.00 C ATOM 1052 CG LYS A 69 18.195 3.405 -14.381 1.00 0.00 C ATOM 1053 CD LYS A 69 18.162 1.974 -14.941 1.00 0.00 C ATOM 1054 CE LYS A 69 18.976 1.845 -16.233 1.00 0.00 C ATOM 1055 NZ LYS A 69 20.423 1.971 -15.977 1.00 0.00 N ATOM 0 H LYS A 69 16.538 3.720 -10.764 1.00 0.00 H new ATOM 0 HA LYS A 69 17.822 1.640 -12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.355 3.260 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.388 4.583 -12.767 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.794 4.094 -15.125 1.00 0.00 H new ATOM 0 HG3 LYS A 69 19.229 3.698 -14.200 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.554 1.283 -14.195 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.129 1.683 -15.133 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.771 0.881 -16.698 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.663 2.613 -16.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.949 1.762 -16.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 20.638 2.940 -15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.704 1.300 -15.234 1.00 0.00 H new ATOM 1069 N TRP A 70 19.784 3.953 -10.910 1.00 0.00 N ATOM 1070 CA TRP A 70 21.163 4.115 -10.459 1.00 0.00 C ATOM 1071 C TRP A 70 21.646 2.843 -9.758 1.00 0.00 C ATOM 1072 O TRP A 70 22.743 2.369 -10.033 1.00 0.00 O ATOM 1073 CB TRP A 70 21.324 5.324 -9.530 1.00 0.00 C ATOM 1074 CG TRP A 70 22.701 5.484 -8.957 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.705 6.193 -9.512 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.267 4.879 -7.752 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.848 6.055 -8.755 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.639 5.254 -7.655 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.764 4.042 -6.735 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.465 4.822 -6.606 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.567 3.640 -5.653 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.910 4.042 -5.579 1.00 0.00 C ATOM 0 H TRP A 70 19.146 4.690 -10.610 1.00 0.00 H new ATOM 0 HA TRP A 70 21.776 4.295 -11.342 1.00 0.00 H new ATOM 0 HB2 TRP A 70 21.066 6.228 -10.081 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.610 5.235 -8.711 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.625 6.781 -10.414 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.741 6.493 -8.982 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.740 3.702 -6.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.512 5.086 -6.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.148 3.019 -4.875 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.515 3.752 -4.733 1.00 0.00 H new ATOM 1093 N LEU A 71 20.838 2.290 -8.851 1.00 0.00 N ATOM 1094 CA LEU A 71 21.206 1.108 -8.090 1.00 0.00 C ATOM 1095 C LEU A 71 21.414 -0.069 -9.034 1.00 0.00 C ATOM 1096 O LEU A 71 22.414 -0.766 -8.925 1.00 0.00 O ATOM 1097 CB LEU A 71 20.162 0.779 -7.010 1.00 0.00 C ATOM 1098 CG LEU A 71 20.760 0.804 -5.596 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.633 0.564 -4.588 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.831 -0.280 -5.410 1.00 0.00 C ATOM 0 H LEU A 71 19.911 2.654 -8.628 1.00 0.00 H new ATOM 0 HA LEU A 71 22.142 1.312 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.343 1.496 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.738 -0.206 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 71 21.232 1.774 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.040 0.578 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.882 1.348 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.173 -0.405 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.229 -0.228 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.388 -1.262 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.638 -0.121 -6.125 1.00 0.00 H new ATOM 1112 N ASN A 72 20.490 -0.285 -9.973 1.00 0.00 N ATOM 1113 CA ASN A 72 20.655 -1.301 -11.006 1.00 0.00 C ATOM 1114 C ASN A 72 22.002 -1.133 -11.719 1.00 0.00 C ATOM 1115 O ASN A 72 22.771 -2.085 -11.816 1.00 0.00 O ATOM 1116 CB ASN A 72 19.484 -1.240 -11.994 1.00 0.00 C ATOM 1117 CG ASN A 72 19.774 -2.009 -13.279 1.00 0.00 C ATOM 1118 OD1 ASN A 72 19.803 -1.427 -14.359 1.00 0.00 O ATOM 1119 ND2 ASN A 72 19.995 -3.316 -13.181 1.00 0.00 N ATOM 0 H ASN A 72 19.615 0.236 -10.036 1.00 0.00 H new ATOM 0 HA ASN A 72 20.653 -2.286 -10.539 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.591 -1.649 -11.522 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.269 -0.199 -12.236 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.196 -3.863 -14.018 1.00 0.00 H new ATOM 0 HD22 ASN A 72 19.964 -3.771 -12.269 1.00 0.00 H new ATOM 1126 N ASP A 73 22.288 0.078 -12.205 1.00 0.00 N ATOM 1127 CA ASP A 73 23.529 0.372 -12.913 1.00 0.00 C ATOM 1128 C ASP A 73 24.760 0.084 -12.044 1.00 0.00 C ATOM 1129 O ASP A 73 25.665 -0.638 -12.453 1.00 0.00 O ATOM 1130 CB ASP A 73 23.512 1.833 -13.380 1.00 0.00 C ATOM 1131 CG ASP A 73 24.797 2.196 -14.116 1.00 0.00 C ATOM 1132 OD1 ASP A 73 24.826 1.978 -15.346 1.00 0.00 O ATOM 1133 OD2 ASP A 73 25.721 2.692 -13.436 1.00 0.00 O ATOM 0 H ASP A 73 21.663 0.880 -12.117 1.00 0.00 H new ATOM 0 HA ASP A 73 23.598 -0.283 -13.782 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.657 1.997 -14.035 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.385 2.490 -12.520 1.00 0.00 H new ATOM 1138 N ALA A 74 24.801 0.680 -10.852 1.00 0.00 N ATOM 1139 CA ALA A 74 25.940 0.641 -9.946 1.00 0.00 C ATOM 1140 C ALA A 74 26.143 -0.757 -9.353 1.00 0.00 C ATOM 1141 O ALA A 74 27.274 -1.184 -9.132 1.00 0.00 O ATOM 1142 CB ALA A 74 25.724 1.685 -8.846 1.00 0.00 C ATOM 0 H ALA A 74 24.017 1.218 -10.483 1.00 0.00 H new ATOM 0 HA ALA A 74 26.849 0.876 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.569 1.669 -8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.641 2.675 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.808 1.455 -8.301 1.00 0.00 H new