USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 8 TYR OH : rot 180:sc= 0.0136 USER MOD Set 1.2: A 64 SER OG : rot 135:sc= 0.686 USER MOD Set 2.1: A 15 TYR OH : rot -131:sc= 0.901 USER MOD Set 2.2: A 18 THR OG1 : rot 88:sc= 1.05 USER MOD Single : A 1 GLY N :NH3+ -159:sc= 1.62 (180deg=1.4) USER MOD Single : A 3 MET CE :methyl -162:sc= -0.123 (180deg=-0.546) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -22:sc= -0.235 USER MOD Single : A 11 THR OG1 : rot 160:sc= 1.87 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.63 USER MOD Single : A 32 HIS : no HD1:sc= -0.775 K(o=-0.78,f=-0.17) USER MOD Single : A 35 SER OG : rot 180:sc= -0.227 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -110:sc= 1.2 USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 1.28 (180deg=0.86) USER MOD Single : A 49 ASN : amide:sc= -2.29! K(o=-2.3!,f=-0.76) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= -0.0269 (180deg=-0.148) USER MOD Single : A 58 ASN : amide:sc= -0.446 K(o=-0.45,f=-5.9!) USER MOD Single : A 62 GLN : amide:sc= 1.97 K(o=2,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.106 -1.972 -4.034 1.00 0.00 N ATOM 2 CA GLY A 1 -9.915 -2.306 -2.631 1.00 0.00 C ATOM 3 C GLY A 1 -10.886 -3.353 -2.169 1.00 0.00 C ATOM 4 O GLY A 1 -11.202 -4.288 -2.907 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.238 -1.540 -4.409 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.323 -2.836 -4.570 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.895 -1.300 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.896 -2.662 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.033 -1.408 -2.024 1.00 0.00 H new ATOM 10 N ALA A 2 -11.395 -3.177 -0.982 1.00 0.00 N ATOM 11 CA ALA A 2 -12.291 -4.122 -0.365 1.00 0.00 C ATOM 12 C ALA A 2 -13.666 -3.498 -0.178 1.00 0.00 C ATOM 13 O ALA A 2 -14.683 -4.172 -0.265 1.00 0.00 O ATOM 14 CB ALA A 2 -11.731 -4.561 0.976 1.00 0.00 C ATOM 0 H ALA A 2 -11.197 -2.360 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.388 -4.993 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.412 -5.275 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.758 -5.030 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.620 -3.693 1.626 1.00 0.00 H new ATOM 20 N MET A 3 -13.690 -2.203 0.057 1.00 0.00 N ATOM 21 CA MET A 3 -14.938 -1.477 0.279 1.00 0.00 C ATOM 22 C MET A 3 -15.329 -0.717 -0.971 1.00 0.00 C ATOM 23 O MET A 3 -16.300 0.056 -0.975 1.00 0.00 O ATOM 24 CB MET A 3 -14.795 -0.499 1.451 1.00 0.00 C ATOM 25 CG MET A 3 -14.478 -1.149 2.788 1.00 0.00 C ATOM 26 SD MET A 3 -15.797 -2.227 3.404 1.00 0.00 S ATOM 27 CE MET A 3 -17.149 -1.059 3.593 1.00 0.00 C ATOM 0 H MET A 3 -12.854 -1.620 0.101 1.00 0.00 H new ATOM 0 HA MET A 3 -15.716 -2.202 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.007 0.217 1.215 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.721 0.067 1.549 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.561 -1.730 2.691 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.285 -0.369 3.524 1.00 0.00 H new ATOM 0 HE1 MET A 3 -17.909 -1.485 4.248 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.772 -0.134 4.028 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.587 -0.849 2.617 1.00 0.00 H new ATOM 37 N GLY A 4 -14.591 -0.942 -2.016 1.00 0.00 N ATOM 38 CA GLY A 4 -14.820 -0.276 -3.264 1.00 0.00 C ATOM 39 C GLY A 4 -13.531 -0.119 -4.026 1.00 0.00 C ATOM 40 O GLY A 4 -12.515 -0.705 -3.650 1.00 0.00 O ATOM 0 H GLY A 4 -13.809 -1.596 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.534 -0.845 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.264 0.703 -3.084 1.00 0.00 H new ATOM 44 N ALA A 5 -13.556 0.679 -5.066 1.00 0.00 N ATOM 45 CA ALA A 5 -12.389 0.909 -5.915 1.00 0.00 C ATOM 46 C ALA A 5 -11.867 2.332 -5.725 1.00 0.00 C ATOM 47 O ALA A 5 -11.103 2.853 -6.543 1.00 0.00 O ATOM 48 CB ALA A 5 -12.759 0.674 -7.373 1.00 0.00 C ATOM 0 H ALA A 5 -14.386 1.195 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 5 -11.601 0.211 -5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -11.886 0.847 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.101 -0.353 -7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -13.555 1.360 -7.661 1.00 0.00 H new ATOM 54 N LYS A 6 -12.267 2.945 -4.635 1.00 0.00 N ATOM 55 CA LYS A 6 -11.871 4.310 -4.333 1.00 0.00 C ATOM 56 C LYS A 6 -11.131 4.380 -3.025 1.00 0.00 C ATOM 57 O LYS A 6 -11.070 5.436 -2.383 1.00 0.00 O ATOM 58 CB LYS A 6 -13.085 5.241 -4.318 1.00 0.00 C ATOM 59 CG LYS A 6 -14.216 4.816 -3.393 1.00 0.00 C ATOM 60 CD LYS A 6 -15.340 5.838 -3.402 1.00 0.00 C ATOM 61 CE LYS A 6 -16.500 5.387 -2.540 1.00 0.00 C ATOM 62 NZ LYS A 6 -17.589 6.378 -2.514 1.00 0.00 N ATOM 0 H LYS A 6 -12.872 2.519 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.197 4.644 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.754 6.238 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.476 5.318 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.600 3.845 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.836 4.697 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.966 6.796 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.683 5.995 -4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.883 4.438 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.148 5.209 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.362 6.029 -1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.232 7.277 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.943 6.530 -3.480 1.00 0.00 H new ATOM 76 N GLU A 7 -10.535 3.280 -2.658 1.00 0.00 N ATOM 77 CA GLU A 7 -9.798 3.214 -1.426 1.00 0.00 C ATOM 78 C GLU A 7 -8.346 3.508 -1.682 1.00 0.00 C ATOM 79 O GLU A 7 -7.691 2.837 -2.502 1.00 0.00 O ATOM 80 CB GLU A 7 -9.947 1.864 -0.731 1.00 0.00 C ATOM 81 CG GLU A 7 -11.360 1.540 -0.297 1.00 0.00 C ATOM 82 CD GLU A 7 -11.416 0.307 0.563 1.00 0.00 C ATOM 83 OE1 GLU A 7 -11.382 -0.797 0.024 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.513 0.433 1.805 1.00 0.00 O ATOM 0 H GLU A 7 -10.545 2.414 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.214 3.967 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.598 1.081 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.297 1.845 0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.773 2.385 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.986 1.397 -1.178 1.00 0.00 H new ATOM 91 N TYR A 8 -7.839 4.494 -1.011 1.00 0.00 N ATOM 92 CA TYR A 8 -6.480 4.889 -1.170 1.00 0.00 C ATOM 93 C TYR A 8 -5.860 5.244 0.148 1.00 0.00 C ATOM 94 O TYR A 8 -6.542 5.693 1.084 1.00 0.00 O ATOM 95 CB TYR A 8 -6.296 6.000 -2.222 1.00 0.00 C ATOM 96 CG TYR A 8 -7.194 7.215 -2.089 1.00 0.00 C ATOM 97 CD1 TYR A 8 -6.828 8.295 -1.303 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.399 7.285 -2.780 1.00 0.00 C ATOM 99 CE1 TYR A 8 -7.637 9.406 -1.202 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.214 8.393 -2.689 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.827 9.454 -1.895 1.00 0.00 C ATOM 102 OH TYR A 8 -9.628 10.574 -1.792 1.00 0.00 O ATOM 0 H TYR A 8 -8.362 5.049 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.944 4.024 -1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.260 6.336 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.455 5.565 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.894 8.266 -0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -8.702 6.455 -3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.339 10.238 -0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.146 8.431 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.431 10.454 -2.341 1.00 0.00 H new ATOM 112 N CYS A 9 -4.592 5.049 0.226 1.00 0.00 N ATOM 113 CA CYS A 9 -3.852 5.256 1.424 1.00 0.00 C ATOM 114 C CYS A 9 -2.638 6.111 1.142 1.00 0.00 C ATOM 115 O CYS A 9 -2.154 6.153 0.002 1.00 0.00 O ATOM 116 CB CYS A 9 -3.453 3.895 2.006 1.00 0.00 C ATOM 117 SG CYS A 9 -2.653 2.792 0.813 1.00 0.00 S ATOM 0 H CYS A 9 -4.024 4.733 -0.560 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.465 5.783 2.155 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.779 4.054 2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.343 3.404 2.399 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.965 3.159 -0.394 1.00 0.00 H new ATOM 123 N ARG A 10 -2.178 6.818 2.139 1.00 0.00 N ATOM 124 CA ARG A 10 -1.000 7.618 1.995 1.00 0.00 C ATOM 125 C ARG A 10 0.068 7.023 2.873 1.00 0.00 C ATOM 126 O ARG A 10 -0.197 6.663 4.029 1.00 0.00 O ATOM 127 CB ARG A 10 -1.243 9.066 2.402 1.00 0.00 C ATOM 128 CG ARG A 10 -0.132 9.995 1.943 1.00 0.00 C ATOM 129 CD ARG A 10 -0.270 11.384 2.517 1.00 0.00 C ATOM 130 NE ARG A 10 0.018 11.411 3.951 1.00 0.00 N ATOM 131 CZ ARG A 10 1.233 11.617 4.483 1.00 0.00 C ATOM 132 NH1 ARG A 10 2.259 11.955 3.703 1.00 0.00 N ATOM 133 NH2 ARG A 10 1.394 11.564 5.790 1.00 0.00 N ATOM 0 H ARG A 10 -2.607 6.854 3.064 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.699 7.622 0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.191 9.404 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.336 9.124 3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.831 9.578 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.137 10.052 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.408 12.061 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.282 11.750 2.343 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.761 11.263 4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.123 12.058 2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.181 12.111 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.596 11.367 6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.316 11.720 6.197 1.00 0.00 H new ATOM 147 N THR A 11 1.232 6.898 2.342 1.00 0.00 N ATOM 148 CA THR A 11 2.328 6.310 3.036 1.00 0.00 C ATOM 149 C THR A 11 2.976 7.288 4.018 1.00 0.00 C ATOM 150 O THR A 11 3.283 8.438 3.668 1.00 0.00 O ATOM 151 CB THR A 11 3.325 5.814 2.017 1.00 0.00 C ATOM 152 OG1 THR A 11 3.569 6.864 1.076 1.00 0.00 O ATOM 153 CG2 THR A 11 2.755 4.618 1.290 1.00 0.00 C ATOM 0 H THR A 11 1.456 7.206 1.396 1.00 0.00 H new ATOM 0 HA THR A 11 1.965 5.476 3.636 1.00 0.00 H new ATOM 0 HB THR A 11 4.252 5.524 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.418 6.700 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.476 4.261 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.544 3.824 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.833 4.905 0.784 1.00 0.00 H new ATOM 161 N LEU A 12 3.183 6.820 5.232 1.00 0.00 N ATOM 162 CA LEU A 12 3.732 7.632 6.308 1.00 0.00 C ATOM 163 C LEU A 12 5.242 7.440 6.411 1.00 0.00 C ATOM 164 O LEU A 12 5.937 8.184 7.118 1.00 0.00 O ATOM 165 CB LEU A 12 3.093 7.213 7.639 1.00 0.00 C ATOM 166 CG LEU A 12 1.566 7.292 7.725 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.080 6.715 9.045 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.096 8.725 7.575 1.00 0.00 C ATOM 0 H LEU A 12 2.975 5.860 5.505 1.00 0.00 H new ATOM 0 HA LEU A 12 3.517 8.679 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.393 6.187 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.511 7.838 8.428 1.00 0.00 H new ATOM 0 HG LEU A 12 1.146 6.704 6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.007 6.778 9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.386 5.672 9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.512 7.281 9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.008 8.760 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.526 9.334 8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.415 9.113 6.608 1.00 0.00 H new ATOM 180 N PHE A 13 5.746 6.441 5.728 1.00 0.00 N ATOM 181 CA PHE A 13 7.152 6.092 5.803 1.00 0.00 C ATOM 182 C PHE A 13 7.722 5.878 4.420 1.00 0.00 C ATOM 183 O PHE A 13 6.991 5.518 3.499 1.00 0.00 O ATOM 184 CB PHE A 13 7.350 4.781 6.598 1.00 0.00 C ATOM 185 CG PHE A 13 6.953 4.818 8.044 1.00 0.00 C ATOM 186 CD1 PHE A 13 5.646 4.569 8.427 1.00 0.00 C ATOM 187 CD2 PHE A 13 7.895 5.079 9.021 1.00 0.00 C ATOM 188 CE1 PHE A 13 5.286 4.584 9.756 1.00 0.00 C ATOM 189 CE2 PHE A 13 7.540 5.097 10.354 1.00 0.00 C ATOM 190 CZ PHE A 13 6.235 4.848 10.721 1.00 0.00 C ATOM 0 H PHE A 13 5.199 5.846 5.105 1.00 0.00 H new ATOM 0 HA PHE A 13 7.663 6.916 6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.780 3.993 6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.401 4.499 6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.900 4.361 7.674 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.919 5.271 8.738 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.263 4.389 10.042 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.284 5.306 11.109 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.956 4.860 11.764 1.00 0.00 H new ATOM 200 N PRO A 14 9.015 6.159 4.239 1.00 0.00 N ATOM 201 CA PRO A 14 9.727 5.780 3.039 1.00 0.00 C ATOM 202 C PRO A 14 10.247 4.346 3.201 1.00 0.00 C ATOM 203 O PRO A 14 11.007 4.057 4.134 1.00 0.00 O ATOM 204 CB PRO A 14 10.883 6.781 2.980 1.00 0.00 C ATOM 205 CG PRO A 14 11.133 7.204 4.397 1.00 0.00 C ATOM 206 CD PRO A 14 9.876 6.913 5.183 1.00 0.00 C ATOM 0 HA PRO A 14 9.120 5.799 2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.773 6.325 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.627 7.637 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.981 6.662 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.378 8.265 4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.093 6.328 6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.393 7.832 5.514 1.00 0.00 H new ATOM 214 N TYR A 15 9.845 3.455 2.335 1.00 0.00 N ATOM 215 CA TYR A 15 10.191 2.070 2.506 1.00 0.00 C ATOM 216 C TYR A 15 10.388 1.387 1.179 1.00 0.00 C ATOM 217 O TYR A 15 9.499 1.383 0.318 1.00 0.00 O ATOM 218 CB TYR A 15 9.106 1.365 3.324 1.00 0.00 C ATOM 219 CG TYR A 15 9.306 -0.123 3.515 1.00 0.00 C ATOM 220 CD1 TYR A 15 10.254 -0.611 4.402 1.00 0.00 C ATOM 221 CD2 TYR A 15 8.531 -1.037 2.813 1.00 0.00 C ATOM 222 CE1 TYR A 15 10.423 -1.969 4.579 1.00 0.00 C ATOM 223 CE2 TYR A 15 8.694 -2.388 2.984 1.00 0.00 C ATOM 224 CZ TYR A 15 9.639 -2.852 3.867 1.00 0.00 C ATOM 225 OH TYR A 15 9.799 -4.203 4.042 1.00 0.00 O ATOM 0 H TYR A 15 9.282 3.661 1.510 1.00 0.00 H new ATOM 0 HA TYR A 15 11.137 2.013 3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.050 1.836 4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.144 1.526 2.837 1.00 0.00 H new ATOM 0 HD1 TYR A 15 10.867 0.080 4.961 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.786 -0.677 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 15 11.165 -2.338 5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.083 -3.083 2.428 1.00 0.00 H new ATOM 0 HH TYR A 15 9.867 -4.640 3.168 1.00 0.00 H new ATOM 235 N THR A 16 11.538 0.830 1.011 1.00 0.00 N ATOM 236 CA THR A 16 11.856 0.099 -0.148 1.00 0.00 C ATOM 237 C THR A 16 11.521 -1.357 0.091 1.00 0.00 C ATOM 238 O THR A 16 11.786 -1.893 1.182 1.00 0.00 O ATOM 239 CB THR A 16 13.350 0.271 -0.511 1.00 0.00 C ATOM 240 OG1 THR A 16 13.627 1.670 -0.701 1.00 0.00 O ATOM 241 CG2 THR A 16 13.716 -0.487 -1.783 1.00 0.00 C ATOM 0 H THR A 16 12.293 0.876 1.695 1.00 0.00 H new ATOM 0 HA THR A 16 11.272 0.472 -0.990 1.00 0.00 H new ATOM 0 HB THR A 16 13.946 -0.136 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.573 1.788 -0.930 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.773 -0.340 -2.003 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.519 -1.550 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.118 -0.114 -2.614 1.00 0.00 H new ATOM 249 N GLY A 17 10.893 -1.961 -0.884 1.00 0.00 N ATOM 250 CA GLY A 17 10.575 -3.344 -0.805 1.00 0.00 C ATOM 251 C GLY A 17 11.835 -4.159 -0.753 1.00 0.00 C ATOM 252 O GLY A 17 12.726 -3.995 -1.602 1.00 0.00 O ATOM 0 H GLY A 17 10.594 -1.503 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.971 -3.536 0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.977 -3.638 -1.668 1.00 0.00 H new ATOM 256 N THR A 18 11.943 -4.988 0.243 1.00 0.00 N ATOM 257 CA THR A 18 13.057 -5.827 0.438 1.00 0.00 C ATOM 258 C THR A 18 12.962 -6.908 -0.608 1.00 0.00 C ATOM 259 O THR A 18 13.943 -7.339 -1.211 1.00 0.00 O ATOM 260 CB THR A 18 12.938 -6.454 1.823 1.00 0.00 C ATOM 261 OG1 THR A 18 12.157 -5.576 2.673 1.00 0.00 O ATOM 262 CG2 THR A 18 14.292 -6.550 2.410 1.00 0.00 C ATOM 0 H THR A 18 11.225 -5.092 0.960 1.00 0.00 H new ATOM 0 HA THR A 18 14.001 -5.288 0.361 1.00 0.00 H new ATOM 0 HB THR A 18 12.469 -7.435 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.205 -5.786 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.228 -6.997 3.402 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.922 -7.171 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.726 -5.553 2.488 1.00 0.00 H new ATOM 270 N ASN A 19 11.756 -7.273 -0.836 1.00 0.00 N ATOM 271 CA ASN A 19 11.376 -8.205 -1.819 1.00 0.00 C ATOM 272 C ASN A 19 10.855 -7.396 -2.977 1.00 0.00 C ATOM 273 O ASN A 19 10.305 -6.325 -2.758 1.00 0.00 O ATOM 274 CB ASN A 19 10.265 -9.088 -1.247 1.00 0.00 C ATOM 275 CG ASN A 19 10.742 -10.043 -0.166 1.00 0.00 C ATOM 276 OD1 ASN A 19 11.894 -10.497 -0.174 1.00 0.00 O ATOM 277 ND2 ASN A 19 9.875 -10.355 0.767 1.00 0.00 N ATOM 0 H ASN A 19 10.964 -6.905 -0.308 1.00 0.00 H new ATOM 0 HA ASN A 19 12.201 -8.845 -2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.481 -8.451 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.817 -9.664 -2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.141 -10.991 1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.934 -9.961 0.741 1.00 0.00 H new ATOM 284 N GLU A 20 11.019 -7.858 -4.189 1.00 0.00 N ATOM 285 CA GLU A 20 10.533 -7.095 -5.319 1.00 0.00 C ATOM 286 C GLU A 20 9.032 -7.304 -5.487 1.00 0.00 C ATOM 287 O GLU A 20 8.353 -6.541 -6.163 1.00 0.00 O ATOM 288 CB GLU A 20 11.379 -7.337 -6.605 1.00 0.00 C ATOM 289 CG GLU A 20 11.353 -8.737 -7.213 1.00 0.00 C ATOM 290 CD GLU A 20 10.176 -8.964 -8.135 1.00 0.00 C ATOM 291 OE1 GLU A 20 10.277 -8.636 -9.341 1.00 0.00 O ATOM 292 OE2 GLU A 20 9.149 -9.494 -7.701 1.00 0.00 O ATOM 0 H GLU A 20 11.475 -8.740 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 20 10.670 -6.032 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.042 -6.633 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.416 -7.088 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.277 -8.903 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.325 -9.474 -6.411 1.00 0.00 H new ATOM 299 N ASP A 21 8.526 -8.352 -4.819 1.00 0.00 N ATOM 300 CA ASP A 21 7.080 -8.624 -4.731 1.00 0.00 C ATOM 301 C ASP A 21 6.451 -7.618 -3.779 1.00 0.00 C ATOM 302 O ASP A 21 5.244 -7.363 -3.806 1.00 0.00 O ATOM 303 CB ASP A 21 6.787 -10.043 -4.176 1.00 0.00 C ATOM 304 CG ASP A 21 7.231 -11.194 -5.057 1.00 0.00 C ATOM 305 OD1 ASP A 21 6.469 -11.611 -5.961 1.00 0.00 O ATOM 306 OD2 ASP A 21 8.329 -11.745 -4.836 1.00 0.00 O ATOM 0 H ASP A 21 9.103 -9.033 -4.326 1.00 0.00 H new ATOM 0 HA ASP A 21 6.668 -8.549 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.274 -10.142 -3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.714 -10.133 -4.005 1.00 0.00 H new ATOM 311 N GLU A 22 7.290 -7.050 -2.953 1.00 0.00 N ATOM 312 CA GLU A 22 6.917 -6.105 -1.940 1.00 0.00 C ATOM 313 C GLU A 22 6.966 -4.712 -2.562 1.00 0.00 C ATOM 314 O GLU A 22 7.825 -4.429 -3.406 1.00 0.00 O ATOM 315 CB GLU A 22 7.891 -6.279 -0.774 1.00 0.00 C ATOM 316 CG GLU A 22 7.662 -5.441 0.455 1.00 0.00 C ATOM 317 CD GLU A 22 8.588 -5.884 1.557 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.719 -5.372 1.660 1.00 0.00 O ATOM 319 OE2 GLU A 22 8.229 -6.791 2.303 1.00 0.00 O ATOM 0 H GLU A 22 8.291 -7.243 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 22 5.907 -6.257 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.873 -7.327 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.896 -6.070 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.833 -4.389 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.626 -5.532 0.780 1.00 0.00 H new ATOM 326 N LEU A 23 6.056 -3.869 -2.176 1.00 0.00 N ATOM 327 CA LEU A 23 5.876 -2.586 -2.824 1.00 0.00 C ATOM 328 C LEU A 23 6.839 -1.532 -2.246 1.00 0.00 C ATOM 329 O LEU A 23 6.892 -1.317 -1.043 1.00 0.00 O ATOM 330 CB LEU A 23 4.382 -2.172 -2.679 1.00 0.00 C ATOM 331 CG LEU A 23 3.817 -1.059 -3.603 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.315 -0.994 -3.449 1.00 0.00 C ATOM 333 CD2 LEU A 23 4.394 0.301 -3.277 1.00 0.00 C ATOM 0 H LEU A 23 5.413 -4.043 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 23 6.119 -2.661 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.776 -3.065 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.227 -1.854 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 23 4.096 -1.312 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.916 -0.213 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.879 -1.954 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.065 -0.768 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.969 1.047 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.152 0.561 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.477 0.276 -3.400 1.00 0.00 H new ATOM 345 N THR A 24 7.608 -0.913 -3.123 1.00 0.00 N ATOM 346 CA THR A 24 8.510 0.160 -2.762 1.00 0.00 C ATOM 347 C THR A 24 7.776 1.502 -2.814 1.00 0.00 C ATOM 348 O THR A 24 7.233 1.887 -3.867 1.00 0.00 O ATOM 349 CB THR A 24 9.701 0.174 -3.739 1.00 0.00 C ATOM 350 OG1 THR A 24 10.420 -1.067 -3.626 1.00 0.00 O ATOM 351 CG2 THR A 24 10.635 1.369 -3.502 1.00 0.00 C ATOM 0 H THR A 24 7.622 -1.145 -4.116 1.00 0.00 H new ATOM 0 HA THR A 24 8.875 0.000 -1.747 1.00 0.00 H new ATOM 0 HB THR A 24 9.310 0.283 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.178 -1.064 -4.247 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.459 1.334 -4.215 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.079 2.297 -3.635 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.031 1.325 -2.488 1.00 0.00 H new ATOM 359 N PHE A 25 7.745 2.187 -1.699 1.00 0.00 N ATOM 360 CA PHE A 25 7.069 3.452 -1.601 1.00 0.00 C ATOM 361 C PHE A 25 7.917 4.496 -0.892 1.00 0.00 C ATOM 362 O PHE A 25 8.873 4.171 -0.187 1.00 0.00 O ATOM 363 CB PHE A 25 5.693 3.293 -0.930 1.00 0.00 C ATOM 364 CG PHE A 25 5.702 2.572 0.402 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.859 3.265 1.588 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.530 1.202 0.458 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.836 2.607 2.800 1.00 0.00 C ATOM 368 CE2 PHE A 25 5.515 0.540 1.663 1.00 0.00 C ATOM 369 CZ PHE A 25 5.667 1.242 2.837 1.00 0.00 C ATOM 0 H PHE A 25 8.189 1.881 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 25 6.906 3.813 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.261 4.283 -0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.035 2.754 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.001 4.335 1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.406 0.643 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.951 3.163 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.384 -0.532 1.688 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.654 0.723 3.784 1.00 0.00 H new ATOM 379 N ARG A 26 7.567 5.733 -1.082 1.00 0.00 N ATOM 380 CA ARG A 26 8.225 6.847 -0.434 1.00 0.00 C ATOM 381 C ARG A 26 7.233 7.471 0.522 1.00 0.00 C ATOM 382 O ARG A 26 6.077 7.074 0.528 1.00 0.00 O ATOM 383 CB ARG A 26 8.658 7.880 -1.468 1.00 0.00 C ATOM 384 CG ARG A 26 9.669 7.373 -2.471 1.00 0.00 C ATOM 385 CD ARG A 26 10.000 8.449 -3.472 1.00 0.00 C ATOM 386 NE ARG A 26 10.926 7.999 -4.506 1.00 0.00 N ATOM 387 CZ ARG A 26 10.938 8.478 -5.758 1.00 0.00 C ATOM 388 NH1 ARG A 26 10.047 9.410 -6.126 1.00 0.00 N ATOM 389 NH2 ARG A 26 11.835 8.036 -6.642 1.00 0.00 N ATOM 0 H ARG A 26 6.804 6.010 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 26 9.113 6.503 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.776 8.231 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.079 8.741 -0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.575 7.056 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.273 6.498 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.080 8.796 -3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.433 9.302 -2.950 1.00 0.00 H new ATOM 0 HE ARG A 26 11.604 7.277 -4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.361 9.754 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.055 9.775 -7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.517 7.329 -6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.838 8.405 -7.593 1.00 0.00 H new ATOM 403 N GLU A 27 7.660 8.424 1.312 1.00 0.00 N ATOM 404 CA GLU A 27 6.767 9.094 2.241 1.00 0.00 C ATOM 405 C GLU A 27 5.940 10.122 1.467 1.00 0.00 C ATOM 406 O GLU A 27 6.505 10.978 0.772 1.00 0.00 O ATOM 407 CB GLU A 27 7.606 9.752 3.365 1.00 0.00 C ATOM 408 CG GLU A 27 6.838 10.382 4.550 1.00 0.00 C ATOM 409 CD GLU A 27 6.126 11.692 4.242 1.00 0.00 C ATOM 410 OE1 GLU A 27 6.800 12.675 3.874 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.884 11.771 4.381 1.00 0.00 O ATOM 0 H GLU A 27 8.623 8.759 1.335 1.00 0.00 H new ATOM 0 HA GLU A 27 6.082 8.387 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.283 8.998 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.224 10.528 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.101 9.663 4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.540 10.552 5.367 1.00 0.00 H new ATOM 418 N GLY A 28 4.628 10.009 1.556 1.00 0.00 N ATOM 419 CA GLY A 28 3.764 10.966 0.907 1.00 0.00 C ATOM 420 C GLY A 28 3.153 10.472 -0.383 1.00 0.00 C ATOM 421 O GLY A 28 2.574 11.258 -1.142 1.00 0.00 O ATOM 0 H GLY A 28 4.145 9.270 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.963 11.240 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.333 11.873 0.703 1.00 0.00 H new ATOM 425 N GLU A 29 3.237 9.197 -0.628 1.00 0.00 N ATOM 426 CA GLU A 29 2.714 8.631 -1.848 1.00 0.00 C ATOM 427 C GLU A 29 1.290 8.139 -1.630 1.00 0.00 C ATOM 428 O GLU A 29 0.947 7.666 -0.538 1.00 0.00 O ATOM 429 CB GLU A 29 3.605 7.479 -2.327 1.00 0.00 C ATOM 430 CG GLU A 29 5.034 7.885 -2.677 1.00 0.00 C ATOM 431 CD GLU A 29 5.108 8.858 -3.829 1.00 0.00 C ATOM 432 OE1 GLU A 29 4.934 8.440 -4.976 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.378 10.050 -3.616 1.00 0.00 O ATOM 0 H GLU A 29 3.666 8.520 0.004 1.00 0.00 H new ATOM 0 HA GLU A 29 2.705 9.405 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.638 6.715 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.146 7.022 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.503 8.332 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.608 6.993 -2.926 1.00 0.00 H new ATOM 440 N ILE A 30 0.466 8.289 -2.639 1.00 0.00 N ATOM 441 CA ILE A 30 -0.902 7.813 -2.600 1.00 0.00 C ATOM 442 C ILE A 30 -0.980 6.489 -3.328 1.00 0.00 C ATOM 443 O ILE A 30 -0.762 6.415 -4.554 1.00 0.00 O ATOM 444 CB ILE A 30 -1.899 8.830 -3.246 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.930 10.146 -2.454 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.314 8.239 -3.361 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.447 10.018 -1.033 1.00 0.00 C ATOM 0 H ILE A 30 0.723 8.745 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.191 7.695 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.542 9.040 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.922 10.560 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.553 10.862 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.979 8.974 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.285 7.344 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.682 7.980 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.433 10.996 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.468 9.637 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.812 9.330 -0.475 1.00 0.00 H new ATOM 459 N ILE A 31 -1.249 5.467 -2.593 1.00 0.00 N ATOM 460 CA ILE A 31 -1.348 4.142 -3.132 1.00 0.00 C ATOM 461 C ILE A 31 -2.807 3.734 -3.145 1.00 0.00 C ATOM 462 O ILE A 31 -3.517 3.922 -2.139 1.00 0.00 O ATOM 463 CB ILE A 31 -0.545 3.115 -2.274 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.928 3.526 -2.168 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.665 1.707 -2.852 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.788 2.549 -1.388 1.00 0.00 C ATOM 0 H ILE A 31 -1.410 5.521 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.931 4.146 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.974 3.110 -1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.338 3.633 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.988 4.505 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.096 1.011 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.713 1.407 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.272 1.696 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.816 2.912 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.406 2.459 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.761 1.573 -1.873 1.00 0.00 H new ATOM 478 N HIS A 32 -3.255 3.176 -4.243 1.00 0.00 N ATOM 479 CA HIS A 32 -4.612 2.695 -4.327 1.00 0.00 C ATOM 480 C HIS A 32 -4.657 1.282 -3.852 1.00 0.00 C ATOM 481 O HIS A 32 -3.871 0.435 -4.289 1.00 0.00 O ATOM 482 CB HIS A 32 -5.197 2.820 -5.738 1.00 0.00 C ATOM 483 CG HIS A 32 -5.877 4.133 -6.008 1.00 0.00 C ATOM 484 ND1 HIS A 32 -7.041 4.254 -6.741 1.00 0.00 N ATOM 485 CD2 HIS A 32 -5.551 5.389 -5.623 1.00 0.00 C ATOM 486 CE1 HIS A 32 -7.381 5.539 -6.771 1.00 0.00 C ATOM 487 NE2 HIS A 32 -6.508 6.279 -6.106 1.00 0.00 N ATOM 0 H HIS A 32 -2.701 3.044 -5.089 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.234 3.321 -3.687 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.397 2.682 -6.465 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.913 2.013 -5.895 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.686 5.659 -5.035 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.255 5.928 -7.272 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.531 7.290 -5.975 1.00 0.00 H new ATOM 495 N LEU A 33 -5.546 1.049 -2.936 1.00 0.00 N ATOM 496 CA LEU A 33 -5.679 -0.203 -2.252 1.00 0.00 C ATOM 497 C LEU A 33 -6.314 -1.224 -3.198 1.00 0.00 C ATOM 498 O LEU A 33 -7.369 -0.972 -3.769 1.00 0.00 O ATOM 499 CB LEU A 33 -6.567 0.045 -1.005 1.00 0.00 C ATOM 500 CG LEU A 33 -6.540 -0.968 0.157 1.00 0.00 C ATOM 501 CD1 LEU A 33 -7.429 -0.467 1.281 1.00 0.00 C ATOM 502 CD2 LEU A 33 -7.002 -2.340 -0.268 1.00 0.00 C ATOM 0 H LEU A 33 -6.223 1.749 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.713 -0.598 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.294 1.018 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.599 0.122 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.507 -1.056 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.412 -1.181 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.064 0.499 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.450 -0.358 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.965 -3.017 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.025 -2.281 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.350 -2.715 -1.057 1.00 0.00 H new ATOM 514 N ILE A 34 -5.668 -2.349 -3.362 1.00 0.00 N ATOM 515 CA ILE A 34 -6.179 -3.425 -4.181 1.00 0.00 C ATOM 516 C ILE A 34 -6.788 -4.501 -3.278 1.00 0.00 C ATOM 517 O ILE A 34 -7.959 -4.874 -3.432 1.00 0.00 O ATOM 518 CB ILE A 34 -5.065 -4.048 -5.086 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.527 -3.019 -6.093 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.565 -5.294 -5.821 1.00 0.00 C ATOM 521 CD1 ILE A 34 -3.466 -3.568 -7.015 1.00 0.00 C ATOM 0 H ILE A 34 -4.766 -2.549 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.943 -3.017 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.250 -4.348 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.356 -2.642 -6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.117 -2.170 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.763 -5.698 -6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.876 -6.045 -5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.412 -5.028 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.135 -2.784 -7.697 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.618 -3.919 -6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.877 -4.398 -7.589 1.00 0.00 H new ATOM 533 N SER A 35 -6.017 -4.959 -2.307 1.00 0.00 N ATOM 534 CA SER A 35 -6.471 -6.001 -1.406 1.00 0.00 C ATOM 535 C SER A 35 -5.950 -5.756 0.009 1.00 0.00 C ATOM 536 O SER A 35 -4.761 -5.514 0.200 1.00 0.00 O ATOM 537 CB SER A 35 -5.963 -7.360 -1.887 1.00 0.00 C ATOM 538 OG SER A 35 -6.251 -7.571 -3.268 1.00 0.00 O ATOM 0 H SER A 35 -5.071 -4.624 -2.123 1.00 0.00 H new ATOM 0 HA SER A 35 -7.561 -5.990 -1.395 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.887 -7.424 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.422 -8.151 -1.294 1.00 0.00 H new ATOM 0 HG SER A 35 -5.911 -8.448 -3.543 1.00 0.00 H new ATOM 544 N LYS A 36 -6.847 -5.777 0.969 1.00 0.00 N ATOM 545 CA LYS A 36 -6.499 -5.696 2.376 1.00 0.00 C ATOM 546 C LYS A 36 -6.179 -7.087 2.874 1.00 0.00 C ATOM 547 O LYS A 36 -5.337 -7.283 3.743 1.00 0.00 O ATOM 548 CB LYS A 36 -7.678 -5.151 3.171 1.00 0.00 C ATOM 549 CG LYS A 36 -8.003 -3.704 2.899 1.00 0.00 C ATOM 550 CD LYS A 36 -9.297 -3.287 3.559 1.00 0.00 C ATOM 551 CE LYS A 36 -9.280 -3.527 5.052 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.524 -3.067 5.684 1.00 0.00 N ATOM 0 H LYS A 36 -7.850 -5.851 0.797 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.641 -5.035 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.558 -5.755 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.468 -5.269 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.190 -3.074 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.075 -3.543 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.478 -2.230 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.125 -3.839 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.142 -4.590 5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.431 -3.007 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.480 -3.246 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.643 -2.048 5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.331 -3.581 5.277 1.00 0.00 H new ATOM 566 N GLU A 37 -6.873 -8.043 2.309 1.00 0.00 N ATOM 567 CA GLU A 37 -6.688 -9.415 2.643 1.00 0.00 C ATOM 568 C GLU A 37 -5.778 -10.041 1.616 1.00 0.00 C ATOM 569 O GLU A 37 -6.158 -10.210 0.452 1.00 0.00 O ATOM 570 CB GLU A 37 -8.018 -10.179 2.695 1.00 0.00 C ATOM 571 CG GLU A 37 -9.015 -9.726 3.764 1.00 0.00 C ATOM 572 CD GLU A 37 -9.725 -8.424 3.446 1.00 0.00 C ATOM 573 OE1 GLU A 37 -10.336 -8.314 2.345 1.00 0.00 O ATOM 574 OE2 GLU A 37 -9.705 -7.500 4.280 1.00 0.00 O ATOM 0 H GLU A 37 -7.587 -7.879 1.599 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.245 -9.472 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.499 -10.096 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.801 -11.235 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.761 -10.508 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.488 -9.617 4.712 1.00 0.00 H new ATOM 581 N THR A 38 -4.580 -10.327 2.018 1.00 0.00 N ATOM 582 CA THR A 38 -3.586 -10.912 1.139 1.00 0.00 C ATOM 583 C THR A 38 -3.136 -12.275 1.666 1.00 0.00 C ATOM 584 O THR A 38 -2.227 -12.906 1.123 1.00 0.00 O ATOM 585 CB THR A 38 -2.376 -9.976 1.079 1.00 0.00 C ATOM 586 OG1 THR A 38 -1.993 -9.653 2.425 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.716 -8.695 0.322 1.00 0.00 C ATOM 0 H THR A 38 -4.250 -10.165 2.969 1.00 0.00 H new ATOM 0 HA THR A 38 -4.020 -11.046 0.148 1.00 0.00 H new ATOM 0 HB THR A 38 -1.560 -10.471 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.198 -8.712 2.607 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.841 -8.046 0.293 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.018 -8.943 -0.696 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.533 -8.180 0.827 1.00 0.00 H new ATOM 595 N GLY A 39 -3.795 -12.725 2.703 1.00 0.00 N ATOM 596 CA GLY A 39 -3.405 -13.942 3.369 1.00 0.00 C ATOM 597 C GLY A 39 -3.121 -13.647 4.813 1.00 0.00 C ATOM 598 O GLY A 39 -3.130 -14.540 5.672 1.00 0.00 O ATOM 0 H GLY A 39 -4.610 -12.263 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.198 -14.685 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.521 -14.365 2.891 1.00 0.00 H new ATOM 602 N GLU A 40 -2.831 -12.393 5.068 1.00 0.00 N ATOM 603 CA GLU A 40 -2.624 -11.867 6.392 1.00 0.00 C ATOM 604 C GLU A 40 -3.237 -10.496 6.459 1.00 0.00 C ATOM 605 O GLU A 40 -3.114 -9.719 5.508 1.00 0.00 O ATOM 606 CB GLU A 40 -1.138 -11.728 6.737 1.00 0.00 C ATOM 607 CG GLU A 40 -0.374 -13.019 6.906 1.00 0.00 C ATOM 608 CD GLU A 40 1.030 -12.764 7.377 1.00 0.00 C ATOM 609 OE1 GLU A 40 1.203 -12.264 8.506 1.00 0.00 O ATOM 610 OE2 GLU A 40 1.984 -13.047 6.637 1.00 0.00 O ATOM 0 H GLU A 40 -2.730 -11.691 4.335 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.079 -12.560 7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.656 -11.144 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.052 -11.154 7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.890 -13.658 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.350 -13.557 5.958 1.00 0.00 H new ATOM 617 N ALA A 41 -3.882 -10.189 7.550 1.00 0.00 N ATOM 618 CA ALA A 41 -4.413 -8.866 7.753 1.00 0.00 C ATOM 619 C ALA A 41 -3.300 -7.996 8.304 1.00 0.00 C ATOM 620 O ALA A 41 -3.058 -7.937 9.519 1.00 0.00 O ATOM 621 CB ALA A 41 -5.617 -8.878 8.686 1.00 0.00 C ATOM 0 H ALA A 41 -4.054 -10.839 8.317 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.768 -8.465 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.988 -7.861 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.403 -9.500 8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.322 -9.281 9.655 1.00 0.00 H new ATOM 627 N GLY A 42 -2.579 -7.393 7.414 1.00 0.00 N ATOM 628 CA GLY A 42 -1.438 -6.603 7.783 1.00 0.00 C ATOM 629 C GLY A 42 -0.656 -6.243 6.575 1.00 0.00 C ATOM 630 O GLY A 42 -0.022 -5.202 6.523 1.00 0.00 O ATOM 0 H GLY A 42 -2.760 -7.431 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.763 -5.699 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.811 -7.159 8.480 1.00 0.00 H new ATOM 634 N TRP A 43 -0.694 -7.111 5.602 1.00 0.00 N ATOM 635 CA TRP A 43 -0.088 -6.833 4.343 1.00 0.00 C ATOM 636 C TRP A 43 -1.163 -6.396 3.402 1.00 0.00 C ATOM 637 O TRP A 43 -2.138 -7.110 3.191 1.00 0.00 O ATOM 638 CB TRP A 43 0.658 -8.043 3.773 1.00 0.00 C ATOM 639 CG TRP A 43 1.884 -8.428 4.539 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.992 -9.412 5.473 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.185 -7.833 4.429 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.275 -9.468 5.948 1.00 0.00 N ATOM 643 CE2 TRP A 43 4.028 -8.510 5.328 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.716 -6.794 3.659 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.375 -8.183 5.476 1.00 0.00 C ATOM 646 CZ3 TRP A 43 5.051 -6.472 3.807 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.866 -7.162 4.710 1.00 0.00 C ATOM 0 H TRP A 43 -1.145 -8.024 5.665 1.00 0.00 H new ATOM 0 HA TRP A 43 0.657 -6.049 4.477 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.022 -8.895 3.747 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.940 -7.828 2.742 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.185 -10.054 5.792 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.615 -10.122 6.653 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.094 -6.253 2.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.008 -8.716 6.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.473 -5.673 3.215 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.905 -6.883 4.804 1.00 0.00 H new ATOM 658 N TRP A 44 -1.015 -5.243 2.883 1.00 0.00 N ATOM 659 CA TRP A 44 -1.947 -4.712 1.956 1.00 0.00 C ATOM 660 C TRP A 44 -1.342 -4.711 0.610 1.00 0.00 C ATOM 661 O TRP A 44 -0.151 -4.486 0.456 1.00 0.00 O ATOM 662 CB TRP A 44 -2.350 -3.287 2.322 1.00 0.00 C ATOM 663 CG TRP A 44 -3.402 -3.177 3.373 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.857 -4.157 4.198 1.00 0.00 C ATOM 665 CD2 TRP A 44 -4.143 -2.001 3.695 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.851 -3.667 4.999 1.00 0.00 N ATOM 667 CE2 TRP A 44 -5.039 -2.344 4.716 1.00 0.00 C ATOM 668 CE3 TRP A 44 -4.135 -0.689 3.215 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.920 -1.431 5.263 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -5.011 0.219 3.765 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.893 -0.159 4.781 1.00 0.00 C ATOM 0 H TRP A 44 -0.231 -4.625 3.090 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.841 -5.336 1.976 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.463 -2.751 2.660 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.703 -2.783 1.422 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.488 -5.172 4.218 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.369 -4.203 5.696 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.456 -0.394 2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.606 -1.717 6.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.017 1.238 3.406 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.569 0.576 5.193 1.00 0.00 H new ATOM 682 N LYS A 45 -2.131 -5.009 -0.347 1.00 0.00 N ATOM 683 CA LYS A 45 -1.716 -4.962 -1.694 1.00 0.00 C ATOM 684 C LYS A 45 -2.274 -3.707 -2.290 1.00 0.00 C ATOM 685 O LYS A 45 -3.477 -3.434 -2.167 1.00 0.00 O ATOM 686 CB LYS A 45 -2.229 -6.182 -2.463 1.00 0.00 C ATOM 687 CG LYS A 45 -1.940 -6.148 -3.961 1.00 0.00 C ATOM 688 CD LYS A 45 -2.640 -7.279 -4.697 1.00 0.00 C ATOM 689 CE LYS A 45 -2.027 -8.640 -4.409 1.00 0.00 C ATOM 690 NZ LYS A 45 -0.655 -8.745 -4.943 1.00 0.00 N ATOM 0 H LYS A 45 -3.100 -5.298 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.628 -4.971 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.779 -7.080 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.306 -6.264 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.264 -5.192 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.865 -6.218 -4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.693 -7.293 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.600 -7.088 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.013 -8.812 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.649 -9.420 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.480 -9.720 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.545 -8.094 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.027 -8.495 -4.199 1.00 0.00 H new ATOM 704 N GLY A 46 -1.438 -2.965 -2.912 1.00 0.00 N ATOM 705 CA GLY A 46 -1.840 -1.763 -3.545 1.00 0.00 C ATOM 706 C GLY A 46 -1.028 -1.563 -4.765 1.00 0.00 C ATOM 707 O GLY A 46 -0.112 -2.353 -5.014 1.00 0.00 O ATOM 0 H GLY A 46 -0.444 -3.175 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.898 -1.809 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.713 -0.920 -2.866 1.00 0.00 H new ATOM 711 N GLU A 47 -1.333 -0.552 -5.522 1.00 0.00 N ATOM 712 CA GLU A 47 -0.593 -0.275 -6.721 1.00 0.00 C ATOM 713 C GLU A 47 -0.055 1.132 -6.675 1.00 0.00 C ATOM 714 O GLU A 47 -0.789 2.083 -6.354 1.00 0.00 O ATOM 715 CB GLU A 47 -1.466 -0.553 -7.969 1.00 0.00 C ATOM 716 CG GLU A 47 -0.771 -0.427 -9.335 1.00 0.00 C ATOM 717 CD GLU A 47 -0.833 0.958 -9.947 1.00 0.00 C ATOM 718 OE1 GLU A 47 0.030 1.797 -9.675 1.00 0.00 O ATOM 719 OE2 GLU A 47 -1.742 1.208 -10.746 1.00 0.00 O ATOM 0 H GLU A 47 -2.094 0.100 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 47 0.266 -0.942 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.871 -1.561 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.313 0.133 -7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.274 -0.715 -9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.226 -1.137 -10.026 1.00 0.00 H new ATOM 726 N LEU A 48 1.223 1.253 -6.938 1.00 0.00 N ATOM 727 CA LEU A 48 1.889 2.520 -6.969 1.00 0.00 C ATOM 728 C LEU A 48 2.837 2.551 -8.158 1.00 0.00 C ATOM 729 O LEU A 48 3.730 1.690 -8.279 1.00 0.00 O ATOM 730 CB LEU A 48 2.655 2.762 -5.667 1.00 0.00 C ATOM 731 CG LEU A 48 3.327 4.134 -5.519 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.306 5.261 -5.563 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.135 4.197 -4.234 1.00 0.00 C ATOM 0 H LEU A 48 1.833 0.460 -7.138 1.00 0.00 H new ATOM 0 HA LEU A 48 1.149 3.314 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.965 2.627 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.422 1.993 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 48 4.003 4.265 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.816 6.218 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.778 5.236 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.592 5.137 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.604 5.177 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.476 4.033 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.906 3.426 -4.251 1.00 0.00 H new ATOM 745 N ASN A 49 2.599 3.497 -9.059 1.00 0.00 N ATOM 746 CA ASN A 49 3.412 3.727 -10.278 1.00 0.00 C ATOM 747 C ASN A 49 3.346 2.556 -11.255 1.00 0.00 C ATOM 748 O ASN A 49 4.226 2.393 -12.105 1.00 0.00 O ATOM 749 CB ASN A 49 4.895 4.076 -9.977 1.00 0.00 C ATOM 750 CG ASN A 49 5.080 5.373 -9.215 1.00 0.00 C ATOM 751 OD1 ASN A 49 5.095 6.455 -9.797 1.00 0.00 O ATOM 752 ND2 ASN A 49 5.306 5.279 -7.932 1.00 0.00 N ATOM 0 H ASN A 49 1.819 4.149 -8.973 1.00 0.00 H new ATOM 0 HA ASN A 49 2.957 4.599 -10.748 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.340 3.263 -9.403 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.441 4.138 -10.918 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.502 6.118 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.287 4.367 -7.476 1.00 0.00 H new ATOM 759 N GLY A 50 2.315 1.753 -11.148 1.00 0.00 N ATOM 760 CA GLY A 50 2.144 0.656 -12.057 1.00 0.00 C ATOM 761 C GLY A 50 2.480 -0.674 -11.434 1.00 0.00 C ATOM 762 O GLY A 50 2.184 -1.724 -12.008 1.00 0.00 O ATOM 0 H GLY A 50 1.586 1.842 -10.441 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.112 0.638 -12.408 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.775 0.813 -12.932 1.00 0.00 H new ATOM 766 N LYS A 51 3.090 -0.648 -10.274 1.00 0.00 N ATOM 767 CA LYS A 51 3.478 -1.871 -9.598 1.00 0.00 C ATOM 768 C LYS A 51 2.540 -2.167 -8.474 1.00 0.00 C ATOM 769 O LYS A 51 2.201 -1.272 -7.698 1.00 0.00 O ATOM 770 CB LYS A 51 4.902 -1.807 -9.015 1.00 0.00 C ATOM 771 CG LYS A 51 6.056 -1.843 -10.010 1.00 0.00 C ATOM 772 CD LYS A 51 6.138 -0.599 -10.887 1.00 0.00 C ATOM 773 CE LYS A 51 7.375 -0.627 -11.770 1.00 0.00 C ATOM 774 NZ LYS A 51 7.426 -1.822 -12.647 1.00 0.00 N ATOM 0 H LYS A 51 3.331 0.208 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 51 3.445 -2.654 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.988 -0.892 -8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.024 -2.641 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.993 -1.956 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.950 -2.721 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.246 -0.531 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.157 0.291 -10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.397 0.272 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.265 -0.604 -11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.213 -1.725 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.570 -2.673 -12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.531 -1.907 -13.170 1.00 0.00 H new ATOM 788 N GLU A 52 2.130 -3.397 -8.381 1.00 0.00 N ATOM 789 CA GLU A 52 1.335 -3.824 -7.276 1.00 0.00 C ATOM 790 C GLU A 52 2.134 -4.781 -6.444 1.00 0.00 C ATOM 791 O GLU A 52 2.949 -5.571 -6.971 1.00 0.00 O ATOM 792 CB GLU A 52 -0.098 -4.352 -7.658 1.00 0.00 C ATOM 793 CG GLU A 52 -0.204 -5.519 -8.645 1.00 0.00 C ATOM 794 CD GLU A 52 0.092 -6.879 -8.036 1.00 0.00 C ATOM 795 OE1 GLU A 52 -0.718 -7.374 -7.231 1.00 0.00 O ATOM 796 OE2 GLU A 52 1.128 -7.486 -8.366 1.00 0.00 O ATOM 0 H GLU A 52 2.337 -4.125 -9.065 1.00 0.00 H new ATOM 0 HA GLU A 52 1.101 -2.946 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.599 -4.649 -6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.661 -3.515 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.209 -5.533 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.486 -5.345 -9.471 1.00 0.00 H new ATOM 803 N GLY A 53 1.981 -4.673 -5.179 1.00 0.00 N ATOM 804 CA GLY A 53 2.700 -5.497 -4.284 1.00 0.00 C ATOM 805 C GLY A 53 2.127 -5.389 -2.938 1.00 0.00 C ATOM 806 O GLY A 53 1.043 -4.830 -2.787 1.00 0.00 O ATOM 0 H GLY A 53 1.350 -4.007 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.665 -6.533 -4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.749 -5.202 -4.267 1.00 0.00 H new ATOM 810 N VAL A 54 2.842 -5.843 -1.963 1.00 0.00 N ATOM 811 CA VAL A 54 2.353 -5.818 -0.613 1.00 0.00 C ATOM 812 C VAL A 54 3.183 -4.889 0.233 1.00 0.00 C ATOM 813 O VAL A 54 4.382 -4.693 -0.021 1.00 0.00 O ATOM 814 CB VAL A 54 2.303 -7.230 0.043 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.275 -8.112 -0.646 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.675 -7.898 0.025 1.00 0.00 C ATOM 0 H VAL A 54 3.775 -6.240 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 54 1.328 -5.452 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 54 2.004 -7.099 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.259 -9.092 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.289 -7.653 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.538 -8.224 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.607 -8.882 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.013 -8.006 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.386 -7.284 0.578 1.00 0.00 H new ATOM 826 N PHE A 55 2.529 -4.279 1.171 1.00 0.00 N ATOM 827 CA PHE A 55 3.124 -3.352 2.084 1.00 0.00 C ATOM 828 C PHE A 55 2.387 -3.458 3.421 1.00 0.00 C ATOM 829 O PHE A 55 1.219 -3.830 3.436 1.00 0.00 O ATOM 830 CB PHE A 55 3.044 -1.918 1.501 1.00 0.00 C ATOM 831 CG PHE A 55 1.653 -1.358 1.286 1.00 0.00 C ATOM 832 CD1 PHE A 55 0.997 -1.545 0.082 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.016 -0.627 2.280 1.00 0.00 C ATOM 834 CE1 PHE A 55 -0.261 -1.028 -0.125 1.00 0.00 C ATOM 835 CE2 PHE A 55 -0.242 -0.106 2.075 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.883 -0.307 0.870 1.00 0.00 C ATOM 0 H PHE A 55 1.531 -4.417 1.328 1.00 0.00 H new ATOM 0 HA PHE A 55 4.178 -3.583 2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.584 -1.247 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.569 -1.907 0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.479 -2.104 -0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.513 -0.465 3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.761 -1.188 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.727 0.460 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.870 0.100 0.707 1.00 0.00 H new ATOM 846 N PRO A 56 3.042 -3.192 4.557 1.00 0.00 N ATOM 847 CA PRO A 56 2.386 -3.271 5.861 1.00 0.00 C ATOM 848 C PRO A 56 1.386 -2.123 6.079 1.00 0.00 C ATOM 849 O PRO A 56 1.687 -0.949 5.798 1.00 0.00 O ATOM 850 CB PRO A 56 3.541 -3.186 6.867 1.00 0.00 C ATOM 851 CG PRO A 56 4.796 -3.300 6.056 1.00 0.00 C ATOM 852 CD PRO A 56 4.454 -2.809 4.683 1.00 0.00 C ATOM 0 HA PRO A 56 1.798 -4.183 5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.514 -2.244 7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.477 -3.986 7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.597 -2.705 6.494 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.146 -4.332 6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.593 -1.732 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.072 -3.278 3.918 1.00 0.00 H new ATOM 860 N ASP A 57 0.219 -2.463 6.624 1.00 0.00 N ATOM 861 CA ASP A 57 -0.900 -1.517 6.821 1.00 0.00 C ATOM 862 C ASP A 57 -0.596 -0.465 7.891 1.00 0.00 C ATOM 863 O ASP A 57 -1.345 0.495 8.066 1.00 0.00 O ATOM 864 CB ASP A 57 -2.222 -2.254 7.164 1.00 0.00 C ATOM 865 CG ASP A 57 -2.363 -2.710 8.621 1.00 0.00 C ATOM 866 OD1 ASP A 57 -1.627 -3.623 9.064 1.00 0.00 O ATOM 867 OD2 ASP A 57 -3.256 -2.175 9.339 1.00 0.00 O ATOM 0 H ASP A 57 0.013 -3.408 6.947 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.025 -1.000 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.057 -1.596 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.309 -3.127 6.518 1.00 0.00 H new ATOM 872 N ASN A 58 0.502 -0.635 8.586 1.00 0.00 N ATOM 873 CA ASN A 58 0.910 0.312 9.606 1.00 0.00 C ATOM 874 C ASN A 58 1.922 1.317 9.063 1.00 0.00 C ATOM 875 O ASN A 58 2.386 2.204 9.789 1.00 0.00 O ATOM 876 CB ASN A 58 1.448 -0.393 10.871 1.00 0.00 C ATOM 877 CG ASN A 58 2.673 -1.266 10.662 1.00 0.00 C ATOM 878 OD1 ASN A 58 2.875 -1.861 9.600 1.00 0.00 O ATOM 879 ND2 ASN A 58 3.480 -1.372 11.676 1.00 0.00 N ATOM 0 H ASN A 58 1.136 -1.425 8.466 1.00 0.00 H new ATOM 0 HA ASN A 58 0.017 0.863 9.900 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.687 0.367 11.615 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.652 -1.009 11.289 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.310 -1.961 11.608 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.283 -0.866 12.540 1.00 0.00 H new ATOM 886 N PHE A 59 2.263 1.187 7.791 1.00 0.00 N ATOM 887 CA PHE A 59 3.177 2.123 7.133 1.00 0.00 C ATOM 888 C PHE A 59 2.412 3.141 6.309 1.00 0.00 C ATOM 889 O PHE A 59 2.970 4.145 5.853 1.00 0.00 O ATOM 890 CB PHE A 59 4.191 1.390 6.243 1.00 0.00 C ATOM 891 CG PHE A 59 5.339 0.746 6.979 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.120 -0.184 7.974 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.645 1.067 6.649 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.172 -0.780 8.629 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.705 0.475 7.303 1.00 0.00 C ATOM 896 CZ PHE A 59 7.466 -0.452 8.296 1.00 0.00 C ATOM 0 H PHE A 59 1.922 0.440 7.186 1.00 0.00 H new ATOM 0 HA PHE A 59 3.724 2.643 7.920 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.665 0.621 5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.595 2.098 5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.108 -0.448 8.242 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.836 1.790 5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.982 -1.506 9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.719 0.736 7.039 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.293 -0.919 8.811 1.00 0.00 H new ATOM 906 N ALA A 60 1.140 2.892 6.127 1.00 0.00 N ATOM 907 CA ALA A 60 0.305 3.754 5.337 1.00 0.00 C ATOM 908 C ALA A 60 -1.026 3.933 6.020 1.00 0.00 C ATOM 909 O ALA A 60 -1.522 3.010 6.670 1.00 0.00 O ATOM 910 CB ALA A 60 0.115 3.177 3.941 1.00 0.00 C ATOM 0 H ALA A 60 0.656 2.086 6.523 1.00 0.00 H new ATOM 0 HA ALA A 60 0.788 4.726 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.520 3.842 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.085 3.078 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.356 2.197 4.013 1.00 0.00 H new ATOM 916 N VAL A 61 -1.586 5.095 5.898 1.00 0.00 N ATOM 917 CA VAL A 61 -2.861 5.382 6.494 1.00 0.00 C ATOM 918 C VAL A 61 -3.914 5.499 5.401 1.00 0.00 C ATOM 919 O VAL A 61 -3.722 6.220 4.407 1.00 0.00 O ATOM 920 CB VAL A 61 -2.819 6.667 7.395 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.387 7.903 6.616 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.159 6.907 8.086 1.00 0.00 C ATOM 0 H VAL A 61 -1.176 5.874 5.383 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.125 4.558 7.157 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.066 6.485 8.162 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.373 8.766 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.389 7.745 6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.089 8.084 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.095 7.804 8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.938 7.037 7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.402 6.051 8.716 1.00 0.00 H new ATOM 932 N GLN A 62 -4.974 4.733 5.533 1.00 0.00 N ATOM 933 CA GLN A 62 -6.055 4.780 4.586 1.00 0.00 C ATOM 934 C GLN A 62 -6.800 6.102 4.694 1.00 0.00 C ATOM 935 O GLN A 62 -7.316 6.456 5.760 1.00 0.00 O ATOM 936 CB GLN A 62 -6.993 3.582 4.748 1.00 0.00 C ATOM 937 CG GLN A 62 -8.226 3.669 3.873 1.00 0.00 C ATOM 938 CD GLN A 62 -9.043 2.405 3.828 1.00 0.00 C ATOM 939 OE1 GLN A 62 -9.064 1.604 4.782 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.761 2.252 2.766 1.00 0.00 N ATOM 0 H GLN A 62 -5.107 4.067 6.294 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.634 4.716 3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.449 2.668 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.300 3.507 5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.856 4.483 4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.920 3.927 2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.708 2.937 2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.381 1.447 2.681 1.00 0.00 H new ATOM 949 N ILE A 63 -6.842 6.817 3.602 1.00 0.00 N ATOM 950 CA ILE A 63 -7.459 8.123 3.552 1.00 0.00 C ATOM 951 C ILE A 63 -8.941 7.939 3.301 1.00 0.00 C ATOM 952 O ILE A 63 -9.781 8.534 3.960 1.00 0.00 O ATOM 953 CB ILE A 63 -6.864 8.981 2.396 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.323 9.003 2.450 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.421 10.407 2.431 1.00 0.00 C ATOM 956 CD1 ILE A 63 -4.744 9.579 3.732 1.00 0.00 C ATOM 0 H ILE A 63 -6.447 6.511 2.713 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.275 8.636 4.496 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.162 8.517 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.953 7.985 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.951 9.583 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.990 10.986 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.505 10.377 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.165 10.875 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.655 9.555 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.079 10.609 3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.082 8.986 4.582 1.00 0.00 H new ATOM 968 N SER A 64 -9.243 7.093 2.365 1.00 0.00 N ATOM 969 CA SER A 64 -10.569 6.805 1.983 1.00 0.00 C ATOM 970 C SER A 64 -10.690 5.305 1.887 1.00 0.00 C ATOM 971 O SER A 64 -9.823 4.694 1.237 1.00 0.00 O ATOM 972 CB SER A 64 -10.865 7.485 0.658 1.00 0.00 C ATOM 973 OG SER A 64 -10.647 8.893 0.775 1.00 0.00 O ATOM 974 OXT SER A 64 -11.617 4.730 2.505 1.00 0.00 O ATOM 0 H SER A 64 -8.543 6.573 1.836 1.00 0.00 H new ATOM 0 HA SER A 64 -11.293 7.178 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.226 7.073 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.896 7.291 0.362 1.00 0.00 H new ATOM 0 HG SER A 64 -10.141 9.211 -0.002 1.00 0.00 H new TER 980 SER A 64