USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 438 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 29 ASN : amide:sc= 0.176 K(o=0.5,f=-1.5) USER MOD Set 1.2: A 50 HIS : no HE2:sc= 0.329 K(o=0.5,f=-7.4!) USER MOD Set 2.1: A 9 MET CE :methyl -164:sc= -0.0465 (180deg=-0.841) USER MOD Set 2.2: A 17 THR OG1 : rot 65:sc= 1.06 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= 1.27 (180deg=1.07) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 13 GLN : amide:sc= -0.672 K(o=-0.67,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.14) USER MOD Single : A 18 HIS : no HD1:sc= -0.611 K(o=-0.61,f=-4.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -130:sc= 1.01 USER MOD Single : A 32 CYS SG : rot -19:sc= 0.599 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -162:sc= -0.134 (180deg=-0.611) USER MOD Single : A 39 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.71) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -99:sc= 0.754 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 48 ASN : amide:sc= 0.693 K(o=0.69,f=-0.015) USER MOD Single : A 53 ASN : amide:sc= 0.0346 K(o=0.035,f=-2.7) USER MOD Single : A 62 ASN : amide:sc= 0.506 K(o=0.51,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 73 N PHE A 5 -6.788 6.585 -2.890 1.00 14.33 N ATOM 74 CA PHE A 5 -6.026 5.441 -2.384 1.00 23.24 C ATOM 75 C PHE A 5 -6.911 4.599 -1.452 1.00 3.15 C ATOM 76 O PHE A 5 -7.192 4.998 -0.317 1.00 61.32 O ATOM 77 CB PHE A 5 -4.772 5.915 -1.636 1.00 74.43 C ATOM 78 CG PHE A 5 -3.822 6.722 -2.486 1.00 41.04 C ATOM 79 CD1 PHE A 5 -3.980 8.096 -2.615 1.00 21.01 C ATOM 80 CD2 PHE A 5 -2.769 6.108 -3.150 1.00 40.11 C ATOM 81 CE1 PHE A 5 -3.108 8.838 -3.388 1.00 11.11 C ATOM 82 CE2 PHE A 5 -1.894 6.846 -3.923 1.00 53.32 C ATOM 83 CZ PHE A 5 -2.063 8.213 -4.043 1.00 74.15 C ATOM 0 HA PHE A 5 -5.711 4.829 -3.229 1.00 23.24 H new ATOM 0 HB2 PHE A 5 -5.077 6.516 -0.779 1.00 74.43 H new ATOM 0 HB3 PHE A 5 -4.244 5.046 -1.244 1.00 74.43 H new ATOM 0 HD1 PHE A 5 -4.794 8.590 -2.105 1.00 21.01 H new ATOM 0 HD2 PHE A 5 -2.632 5.040 -3.061 1.00 40.11 H new ATOM 0 HE1 PHE A 5 -3.242 9.906 -3.481 1.00 11.11 H new ATOM 0 HE2 PHE A 5 -1.078 6.356 -4.433 1.00 53.32 H new ATOM 0 HZ PHE A 5 -1.380 8.792 -4.647 1.00 74.15 H new ATOM 93 N THR A 6 -7.365 3.447 -1.943 1.00 42.41 N ATOM 94 CA THR A 6 -8.286 2.583 -1.182 1.00 23.23 C ATOM 95 C THR A 6 -7.792 1.135 -1.108 1.00 52.41 C ATOM 96 O THR A 6 -6.913 0.726 -1.861 1.00 21.35 O ATOM 97 CB THR A 6 -9.709 2.586 -1.790 1.00 54.32 C ATOM 98 OG1 THR A 6 -10.527 1.599 -1.144 1.00 75.31 O ATOM 99 CG2 THR A 6 -9.670 2.312 -3.288 1.00 50.12 C ATOM 0 H THR A 6 -7.114 3.085 -2.863 1.00 42.41 H new ATOM 0 HA THR A 6 -8.318 3.001 -0.176 1.00 23.23 H new ATOM 0 HB THR A 6 -10.136 3.576 -1.630 1.00 54.32 H new ATOM 0 HG1 THR A 6 -11.425 1.611 -1.536 1.00 75.31 H new ATOM 0 HG21 THR A 6 -10.685 2.321 -3.686 1.00 50.12 H new ATOM 0 HG22 THR A 6 -9.079 3.082 -3.784 1.00 50.12 H new ATOM 0 HG23 THR A 6 -9.218 1.337 -3.468 1.00 50.12 H new ATOM 107 N LYS A 7 -8.388 0.354 -0.208 1.00 34.03 N ATOM 108 CA LYS A 7 -8.002 -1.050 -0.014 1.00 10.23 C ATOM 109 C LYS A 7 -8.217 -1.886 -1.289 1.00 32.51 C ATOM 110 O LYS A 7 -7.573 -2.918 -1.481 1.00 31.43 O ATOM 111 CB LYS A 7 -8.802 -1.657 1.147 1.00 71.31 C ATOM 112 CG LYS A 7 -10.315 -1.672 0.920 1.00 13.54 C ATOM 113 CD LYS A 7 -11.063 -2.359 2.064 1.00 40.31 C ATOM 114 CE LYS A 7 -10.905 -1.615 3.386 1.00 71.24 C ATOM 115 NZ LYS A 7 -11.583 -2.324 4.505 1.00 30.05 N ATOM 0 H LYS A 7 -9.143 0.668 0.402 1.00 34.03 H new ATOM 0 HA LYS A 7 -6.938 -1.070 0.221 1.00 10.23 H new ATOM 0 HB2 LYS A 7 -8.460 -2.678 1.315 1.00 71.31 H new ATOM 0 HB3 LYS A 7 -8.587 -1.095 2.056 1.00 71.31 H new ATOM 0 HG2 LYS A 7 -10.675 -0.649 0.815 1.00 13.54 H new ATOM 0 HG3 LYS A 7 -10.535 -2.185 -0.016 1.00 13.54 H new ATOM 0 HD2 LYS A 7 -12.121 -2.429 1.813 1.00 40.31 H new ATOM 0 HD3 LYS A 7 -10.694 -3.378 2.177 1.00 40.31 H new ATOM 0 HE2 LYS A 7 -9.845 -1.503 3.616 1.00 71.24 H new ATOM 0 HE3 LYS A 7 -11.318 -0.611 3.289 1.00 71.24 H new ATOM 0 HZ1 LYS A 7 -11.918 -1.630 5.203 1.00 30.05 H new ATOM 0 HZ2 LYS A 7 -12.393 -2.862 4.135 1.00 30.05 H new ATOM 0 HZ3 LYS A 7 -10.913 -2.976 4.960 1.00 30.05 H new ATOM 129 N ASP A 8 -9.122 -1.424 -2.149 1.00 72.22 N ATOM 130 CA ASP A 8 -9.465 -2.129 -3.388 1.00 13.34 C ATOM 131 C ASP A 8 -8.281 -2.211 -4.373 1.00 73.02 C ATOM 132 O ASP A 8 -8.033 -3.263 -4.969 1.00 74.34 O ATOM 133 CB ASP A 8 -10.657 -1.430 -4.054 1.00 73.22 C ATOM 134 CG ASP A 8 -10.949 -1.960 -5.445 1.00 2.43 C ATOM 135 OD1 ASP A 8 -11.557 -3.044 -5.565 1.00 42.25 O ATOM 136 OD2 ASP A 8 -10.561 -1.297 -6.430 1.00 74.24 O ATOM 0 H ASP A 8 -9.638 -0.555 -2.010 1.00 72.22 H new ATOM 0 HA ASP A 8 -9.726 -3.154 -3.124 1.00 13.34 H new ATOM 0 HB2 ASP A 8 -11.541 -1.556 -3.429 1.00 73.22 H new ATOM 0 HB3 ASP A 8 -10.458 -0.360 -4.113 1.00 73.22 H new ATOM 141 N MET A 9 -7.563 -1.106 -4.549 1.00 70.43 N ATOM 142 CA MET A 9 -6.484 -1.034 -5.546 1.00 34.41 C ATOM 143 C MET A 9 -5.254 -1.865 -5.133 1.00 23.02 C ATOM 144 O MET A 9 -4.991 -2.071 -3.946 1.00 70.11 O ATOM 145 CB MET A 9 -6.088 0.429 -5.792 1.00 20.35 C ATOM 146 CG MET A 9 -5.521 1.135 -4.569 1.00 62.31 C ATOM 147 SD MET A 9 -5.422 2.925 -4.776 1.00 33.11 S ATOM 148 CE MET A 9 -4.406 3.053 -6.249 1.00 5.21 C ATOM 0 H MET A 9 -7.703 -0.246 -4.019 1.00 70.43 H new ATOM 0 HA MET A 9 -6.864 -1.464 -6.473 1.00 34.41 H new ATOM 0 HB2 MET A 9 -5.350 0.464 -6.593 1.00 20.35 H new ATOM 0 HB3 MET A 9 -6.963 0.977 -6.141 1.00 20.35 H new ATOM 0 HG2 MET A 9 -6.143 0.908 -3.703 1.00 62.31 H new ATOM 0 HG3 MET A 9 -4.526 0.743 -4.358 1.00 62.31 H new ATOM 0 HE1 MET A 9 -4.024 4.070 -6.340 1.00 5.21 H new ATOM 0 HE2 MET A 9 -3.571 2.356 -6.177 1.00 5.21 H new ATOM 0 HE3 MET A 9 -5.005 2.811 -7.127 1.00 5.21 H new ATOM 158 N THR A 10 -4.511 -2.346 -6.128 1.00 33.34 N ATOM 159 CA THR A 10 -3.314 -3.168 -5.881 1.00 22.33 C ATOM 160 C THR A 10 -2.102 -2.319 -5.478 1.00 12.24 C ATOM 161 O THR A 10 -2.044 -1.116 -5.757 1.00 50.22 O ATOM 162 CB THR A 10 -2.922 -4.011 -7.120 1.00 75.32 C ATOM 163 OG1 THR A 10 -2.584 -3.150 -8.223 1.00 13.23 O ATOM 164 CG2 THR A 10 -4.054 -4.951 -7.530 1.00 42.23 C ATOM 0 H THR A 10 -4.712 -2.184 -7.115 1.00 33.34 H new ATOM 0 HA THR A 10 -3.583 -3.830 -5.058 1.00 22.33 H new ATOM 0 HB THR A 10 -2.054 -4.613 -6.852 1.00 75.32 H new ATOM 0 HG1 THR A 10 -2.336 -3.695 -8.999 1.00 13.23 H new ATOM 0 HG21 THR A 10 -3.749 -5.529 -8.402 1.00 42.23 H new ATOM 0 HG22 THR A 10 -4.281 -5.628 -6.707 1.00 42.23 H new ATOM 0 HG23 THR A 10 -4.941 -4.367 -7.774 1.00 42.23 H new ATOM 172 N PHE A 11 -1.127 -2.956 -4.824 1.00 63.53 N ATOM 173 CA PHE A 11 0.116 -2.276 -4.434 1.00 41.53 C ATOM 174 C PHE A 11 0.796 -1.603 -5.639 1.00 50.55 C ATOM 175 O PHE A 11 1.201 -0.444 -5.566 1.00 20.41 O ATOM 176 CB PHE A 11 1.091 -3.263 -3.773 1.00 62.52 C ATOM 177 CG PHE A 11 0.648 -3.754 -2.415 1.00 22.31 C ATOM 178 CD1 PHE A 11 0.947 -3.031 -1.268 1.00 25.20 C ATOM 179 CD2 PHE A 11 -0.065 -4.936 -2.285 1.00 74.32 C ATOM 180 CE1 PHE A 11 0.545 -3.479 -0.023 1.00 63.11 C ATOM 181 CE2 PHE A 11 -0.468 -5.388 -1.044 1.00 32.11 C ATOM 182 CZ PHE A 11 -0.164 -4.658 0.088 1.00 3.33 C ATOM 0 H PHE A 11 -1.172 -3.938 -4.553 1.00 63.53 H new ATOM 0 HA PHE A 11 -0.152 -1.501 -3.716 1.00 41.53 H new ATOM 0 HB2 PHE A 11 1.224 -4.121 -4.432 1.00 62.52 H new ATOM 0 HB3 PHE A 11 2.065 -2.783 -3.674 1.00 62.52 H new ATOM 0 HD1 PHE A 11 1.500 -2.107 -1.349 1.00 25.20 H new ATOM 0 HD2 PHE A 11 -0.308 -5.511 -3.166 1.00 74.32 H new ATOM 0 HE1 PHE A 11 0.785 -2.907 0.861 1.00 63.11 H new ATOM 0 HE2 PHE A 11 -1.021 -6.312 -0.959 1.00 32.11 H new ATOM 0 HZ PHE A 11 -0.481 -5.009 1.059 1.00 3.33 H new ATOM 192 N ALA A 12 0.907 -2.337 -6.745 1.00 33.34 N ATOM 193 CA ALA A 12 1.554 -1.822 -7.958 1.00 3.44 C ATOM 194 C ALA A 12 0.878 -0.541 -8.471 1.00 60.50 C ATOM 195 O ALA A 12 1.548 0.449 -8.776 1.00 65.31 O ATOM 196 CB ALA A 12 1.552 -2.893 -9.041 1.00 72.20 C ATOM 0 H ALA A 12 0.558 -3.292 -6.829 1.00 33.34 H new ATOM 0 HA ALA A 12 2.582 -1.565 -7.703 1.00 3.44 H new ATOM 0 HB1 ALA A 12 2.034 -2.504 -9.938 1.00 72.20 H new ATOM 0 HB2 ALA A 12 2.096 -3.769 -8.688 1.00 72.20 H new ATOM 0 HB3 ALA A 12 0.525 -3.174 -9.273 1.00 72.20 H new ATOM 202 N GLN A 13 -0.452 -0.565 -8.560 1.00 13.14 N ATOM 203 CA GLN A 13 -1.219 0.604 -9.011 1.00 60.13 C ATOM 204 C GLN A 13 -1.026 1.803 -8.070 1.00 21.02 C ATOM 205 O GLN A 13 -0.902 2.944 -8.522 1.00 63.43 O ATOM 206 CB GLN A 13 -2.708 0.255 -9.134 1.00 72.40 C ATOM 207 CG GLN A 13 -3.005 -0.765 -10.231 1.00 32.43 C ATOM 208 CD GLN A 13 -4.472 -1.163 -10.309 1.00 22.54 C ATOM 209 OE1 GLN A 13 -4.802 -2.279 -10.696 1.00 15.11 O ATOM 210 NE2 GLN A 13 -5.365 -0.264 -9.947 1.00 23.22 N ATOM 0 H GLN A 13 -1.023 -1.378 -8.327 1.00 13.14 H new ATOM 0 HA GLN A 13 -0.841 0.888 -9.993 1.00 60.13 H new ATOM 0 HB2 GLN A 13 -3.062 -0.136 -8.180 1.00 72.40 H new ATOM 0 HB3 GLN A 13 -3.272 1.166 -9.334 1.00 72.40 H new ATOM 0 HG2 GLN A 13 -2.697 -0.353 -11.192 1.00 32.43 H new ATOM 0 HG3 GLN A 13 -2.403 -1.657 -10.059 1.00 32.43 H new ATOM 0 HE21 GLN A 13 -5.062 0.657 -9.629 1.00 23.22 H new ATOM 0 HE22 GLN A 13 -6.359 -0.489 -9.985 1.00 23.22 H new ATOM 219 N ALA A 14 -0.996 1.543 -6.763 1.00 0.34 N ATOM 220 CA ALA A 14 -0.723 2.593 -5.776 1.00 33.43 C ATOM 221 C ALA A 14 0.642 3.252 -6.033 1.00 71.40 C ATOM 222 O ALA A 14 0.761 4.481 -6.049 1.00 52.53 O ATOM 223 CB ALA A 14 -0.787 2.019 -4.364 1.00 60.34 C ATOM 0 H ALA A 14 -1.156 0.619 -6.362 1.00 0.34 H new ATOM 0 HA ALA A 14 -1.488 3.363 -5.875 1.00 33.43 H new ATOM 0 HB1 ALA A 14 -0.583 2.808 -3.641 1.00 60.34 H new ATOM 0 HB2 ALA A 14 -1.781 1.609 -4.183 1.00 60.34 H new ATOM 0 HB3 ALA A 14 -0.044 1.229 -4.258 1.00 60.34 H new ATOM 229 N LEU A 15 1.662 2.422 -6.256 1.00 11.00 N ATOM 230 CA LEU A 15 3.015 2.905 -6.566 1.00 62.11 C ATOM 231 C LEU A 15 3.024 3.772 -7.837 1.00 44.55 C ATOM 232 O LEU A 15 3.697 4.802 -7.895 1.00 62.32 O ATOM 233 CB LEU A 15 3.974 1.716 -6.743 1.00 54.44 C ATOM 234 CG LEU A 15 4.091 0.775 -5.532 1.00 71.32 C ATOM 235 CD1 LEU A 15 5.036 -0.386 -5.837 1.00 44.14 C ATOM 236 CD2 LEU A 15 4.556 1.540 -4.296 1.00 73.11 C ATOM 0 H LEU A 15 1.579 1.406 -6.228 1.00 11.00 H new ATOM 0 HA LEU A 15 3.348 3.521 -5.731 1.00 62.11 H new ATOM 0 HB2 LEU A 15 3.647 1.133 -7.604 1.00 54.44 H new ATOM 0 HB3 LEU A 15 4.966 2.103 -6.978 1.00 54.44 H new ATOM 0 HG LEU A 15 3.103 0.363 -5.325 1.00 71.32 H new ATOM 0 HD11 LEU A 15 5.103 -1.039 -4.967 1.00 44.14 H new ATOM 0 HD12 LEU A 15 4.654 -0.952 -6.686 1.00 44.14 H new ATOM 0 HD13 LEU A 15 6.026 0.003 -6.076 1.00 44.14 H new ATOM 0 HD21 LEU A 15 4.632 0.855 -3.451 1.00 73.11 H new ATOM 0 HD22 LEU A 15 5.531 1.986 -4.490 1.00 73.11 H new ATOM 0 HD23 LEU A 15 3.837 2.326 -4.063 1.00 73.11 H new ATOM 248 N GLN A 16 2.273 3.346 -8.853 1.00 71.33 N ATOM 249 CA GLN A 16 2.185 4.091 -10.115 1.00 3.23 C ATOM 250 C GLN A 16 1.424 5.418 -9.944 1.00 11.22 C ATOM 251 O GLN A 16 1.657 6.380 -10.681 1.00 63.31 O ATOM 252 CB GLN A 16 1.513 3.231 -11.197 1.00 44.05 C ATOM 253 CG GLN A 16 2.282 1.959 -11.539 1.00 42.02 C ATOM 254 CD GLN A 16 3.711 2.239 -11.976 1.00 21.03 C ATOM 255 OE1 GLN A 16 3.986 2.445 -13.153 1.00 33.43 O ATOM 256 NE2 GLN A 16 4.631 2.253 -11.033 1.00 74.13 N ATOM 0 H GLN A 16 1.717 2.491 -8.830 1.00 71.33 H new ATOM 0 HA GLN A 16 3.202 4.330 -10.426 1.00 3.23 H new ATOM 0 HB2 GLN A 16 0.512 2.960 -10.862 1.00 44.05 H new ATOM 0 HB3 GLN A 16 1.396 3.828 -12.102 1.00 44.05 H new ATOM 0 HG2 GLN A 16 2.294 1.301 -10.670 1.00 42.02 H new ATOM 0 HG3 GLN A 16 1.761 1.426 -12.334 1.00 42.02 H new ATOM 0 HE21 GLN A 16 4.370 2.078 -10.063 1.00 74.13 H new ATOM 0 HE22 GLN A 16 5.605 2.439 -11.273 1.00 74.13 H new ATOM 265 N THR A 17 0.511 5.460 -8.974 1.00 24.20 N ATOM 266 CA THR A 17 -0.246 6.684 -8.679 1.00 23.34 C ATOM 267 C THR A 17 0.649 7.732 -7.993 1.00 12.14 C ATOM 268 O THR A 17 0.589 8.921 -8.311 1.00 52.05 O ATOM 269 CB THR A 17 -1.474 6.395 -7.775 1.00 13.05 C ATOM 270 OG1 THR A 17 -2.300 5.376 -8.363 1.00 14.14 O ATOM 271 CG2 THR A 17 -2.309 7.655 -7.562 1.00 24.42 C ATOM 0 H THR A 17 0.276 4.666 -8.379 1.00 24.20 H new ATOM 0 HA THR A 17 -0.598 7.075 -9.634 1.00 23.34 H new ATOM 0 HB THR A 17 -1.100 6.052 -6.810 1.00 13.05 H new ATOM 0 HG1 THR A 17 -1.803 4.532 -8.398 1.00 14.14 H new ATOM 0 HG21 THR A 17 -3.162 7.423 -6.925 1.00 24.42 H new ATOM 0 HG22 THR A 17 -1.697 8.420 -7.084 1.00 24.42 H new ATOM 0 HG23 THR A 17 -2.664 8.023 -8.525 1.00 24.42 H new ATOM 279 N HIS A 18 1.472 7.277 -7.049 1.00 23.52 N ATOM 280 CA HIS A 18 2.405 8.152 -6.317 1.00 30.31 C ATOM 281 C HIS A 18 3.678 7.387 -5.895 1.00 31.34 C ATOM 282 O HIS A 18 3.615 6.499 -5.047 1.00 43.44 O ATOM 283 CB HIS A 18 1.721 8.746 -5.068 1.00 74.23 C ATOM 284 CG HIS A 18 1.086 10.092 -5.277 1.00 13.32 C ATOM 285 ND1 HIS A 18 -0.037 10.299 -6.050 1.00 23.33 N ATOM 286 CD2 HIS A 18 1.425 11.309 -4.787 1.00 31.31 C ATOM 287 CE1 HIS A 18 -0.359 11.578 -6.023 1.00 3.12 C ATOM 288 NE2 HIS A 18 0.512 12.214 -5.267 1.00 40.12 N ATOM 0 H HIS A 18 1.516 6.298 -6.767 1.00 23.52 H new ATOM 0 HA HIS A 18 2.694 8.960 -6.989 1.00 30.31 H new ATOM 0 HB2 HIS A 18 0.957 8.049 -4.724 1.00 74.23 H new ATOM 0 HB3 HIS A 18 2.460 8.828 -4.271 1.00 74.23 H new ATOM 0 HD2 HIS A 18 2.260 11.527 -4.138 1.00 31.31 H new ATOM 0 HE1 HIS A 18 -1.197 12.028 -6.535 1.00 3.12 H new ATOM 0 HE2 HIS A 18 0.508 13.215 -5.071 1.00 40.12 H new ATOM 297 N PRO A 19 4.850 7.721 -6.474 1.00 22.22 N ATOM 298 CA PRO A 19 6.139 7.121 -6.070 1.00 12.32 C ATOM 299 C PRO A 19 6.377 7.163 -4.546 1.00 13.12 C ATOM 300 O PRO A 19 7.041 6.286 -3.983 1.00 23.20 O ATOM 301 CB PRO A 19 7.167 7.990 -6.802 1.00 35.50 C ATOM 302 CG PRO A 19 6.444 8.479 -8.013 1.00 64.24 C ATOM 303 CD PRO A 19 5.013 8.681 -7.583 1.00 45.31 C ATOM 0 HA PRO A 19 6.189 6.061 -6.321 1.00 12.32 H new ATOM 0 HB2 PRO A 19 7.503 8.818 -6.178 1.00 35.50 H new ATOM 0 HB3 PRO A 19 8.053 7.415 -7.073 1.00 35.50 H new ATOM 0 HG2 PRO A 19 6.878 9.410 -8.378 1.00 64.24 H new ATOM 0 HG3 PRO A 19 6.510 7.756 -8.826 1.00 64.24 H new ATOM 0 HD2 PRO A 19 4.832 9.705 -7.257 1.00 45.31 H new ATOM 0 HD3 PRO A 19 4.317 8.477 -8.396 1.00 45.31 H new ATOM 311 N GLY A 20 5.827 8.186 -3.885 1.00 4.43 N ATOM 312 CA GLY A 20 5.940 8.307 -2.432 1.00 13.01 C ATOM 313 C GLY A 20 5.306 7.138 -1.679 1.00 1.24 C ATOM 314 O GLY A 20 5.719 6.811 -0.565 1.00 22.10 O ATOM 0 H GLY A 20 5.302 8.938 -4.332 1.00 4.43 H new ATOM 0 HA2 GLY A 20 6.993 8.377 -2.161 1.00 13.01 H new ATOM 0 HA3 GLY A 20 5.466 9.236 -2.113 1.00 13.01 H new ATOM 318 N VAL A 21 4.306 6.502 -2.298 1.00 70.35 N ATOM 319 CA VAL A 21 3.639 5.328 -1.716 1.00 52.22 C ATOM 320 C VAL A 21 4.651 4.219 -1.385 1.00 24.42 C ATOM 321 O VAL A 21 4.516 3.522 -0.380 1.00 30.54 O ATOM 322 CB VAL A 21 2.552 4.770 -2.674 1.00 41.30 C ATOM 323 CG1 VAL A 21 1.965 3.460 -2.154 1.00 42.53 C ATOM 324 CG2 VAL A 21 1.448 5.802 -2.887 1.00 52.45 C ATOM 0 H VAL A 21 3.938 6.781 -3.207 1.00 70.35 H new ATOM 0 HA VAL A 21 3.162 5.655 -0.792 1.00 52.22 H new ATOM 0 HB VAL A 21 3.029 4.562 -3.632 1.00 41.30 H new ATOM 0 HG11 VAL A 21 1.208 3.099 -2.850 1.00 42.53 H new ATOM 0 HG12 VAL A 21 2.757 2.717 -2.063 1.00 42.53 H new ATOM 0 HG13 VAL A 21 1.510 3.627 -1.178 1.00 42.53 H new ATOM 0 HG21 VAL A 21 0.694 5.395 -3.561 1.00 52.45 H new ATOM 0 HG22 VAL A 21 0.986 6.044 -1.930 1.00 52.45 H new ATOM 0 HG23 VAL A 21 1.874 6.706 -3.323 1.00 52.45 H new ATOM 334 N ALA A 22 5.674 4.076 -2.229 1.00 64.53 N ATOM 335 CA ALA A 22 6.734 3.087 -2.007 1.00 44.34 C ATOM 336 C ALA A 22 7.378 3.257 -0.623 1.00 32.51 C ATOM 337 O ALA A 22 7.521 2.291 0.129 1.00 25.24 O ATOM 338 CB ALA A 22 7.789 3.188 -3.106 1.00 4.30 C ATOM 0 H ALA A 22 5.792 4.633 -3.075 1.00 64.53 H new ATOM 0 HA ALA A 22 6.283 2.095 -2.042 1.00 44.34 H new ATOM 0 HB1 ALA A 22 8.570 2.449 -2.930 1.00 4.30 H new ATOM 0 HB2 ALA A 22 7.325 3.001 -4.074 1.00 4.30 H new ATOM 0 HB3 ALA A 22 8.226 4.186 -3.100 1.00 4.30 H new ATOM 344 N GLY A 23 7.748 4.493 -0.288 1.00 44.32 N ATOM 345 CA GLY A 23 8.337 4.780 1.018 1.00 75.52 C ATOM 346 C GLY A 23 7.394 4.472 2.177 1.00 71.14 C ATOM 347 O GLY A 23 7.798 3.879 3.178 1.00 5.01 O ATOM 0 H GLY A 23 7.651 5.305 -0.898 1.00 44.32 H new ATOM 0 HA2 GLY A 23 9.250 4.197 1.135 1.00 75.52 H new ATOM 0 HA3 GLY A 23 8.623 5.831 1.059 1.00 75.52 H new ATOM 351 N VAL A 24 6.130 4.869 2.037 1.00 73.22 N ATOM 352 CA VAL A 24 5.113 4.598 3.059 1.00 35.02 C ATOM 353 C VAL A 24 4.965 3.087 3.307 1.00 50.11 C ATOM 354 O VAL A 24 5.050 2.620 4.444 1.00 73.52 O ATOM 355 CB VAL A 24 3.734 5.183 2.655 1.00 4.50 C ATOM 356 CG1 VAL A 24 2.692 4.935 3.747 1.00 51.21 C ATOM 357 CG2 VAL A 24 3.852 6.675 2.343 1.00 64.23 C ATOM 0 H VAL A 24 5.783 5.380 1.226 1.00 73.22 H new ATOM 0 HA VAL A 24 5.449 5.082 3.976 1.00 35.02 H new ATOM 0 HB VAL A 24 3.400 4.671 1.752 1.00 4.50 H new ATOM 0 HG11 VAL A 24 1.735 5.355 3.439 1.00 51.21 H new ATOM 0 HG12 VAL A 24 2.583 3.863 3.909 1.00 51.21 H new ATOM 0 HG13 VAL A 24 3.015 5.410 4.673 1.00 51.21 H new ATOM 0 HG21 VAL A 24 2.874 7.066 2.062 1.00 64.23 H new ATOM 0 HG22 VAL A 24 4.215 7.204 3.225 1.00 64.23 H new ATOM 0 HG23 VAL A 24 4.551 6.820 1.520 1.00 64.23 H new ATOM 367 N LEU A 25 4.758 2.329 2.232 1.00 1.41 N ATOM 368 CA LEU A 25 4.608 0.873 2.324 1.00 13.40 C ATOM 369 C LEU A 25 5.839 0.220 2.973 1.00 35.44 C ATOM 370 O LEU A 25 5.711 -0.567 3.911 1.00 45.30 O ATOM 371 CB LEU A 25 4.365 0.269 0.935 1.00 61.21 C ATOM 372 CG LEU A 25 3.104 0.768 0.209 1.00 51.10 C ATOM 373 CD1 LEU A 25 2.977 0.116 -1.165 1.00 21.22 C ATOM 374 CD2 LEU A 25 1.854 0.508 1.049 1.00 53.31 C ATOM 0 H LEU A 25 4.690 2.698 1.283 1.00 1.41 H new ATOM 0 HA LEU A 25 3.744 0.671 2.957 1.00 13.40 H new ATOM 0 HB2 LEU A 25 5.232 0.481 0.309 1.00 61.21 H new ATOM 0 HB3 LEU A 25 4.301 -0.815 1.035 1.00 61.21 H new ATOM 0 HG LEU A 25 3.199 1.845 0.067 1.00 51.10 H new ATOM 0 HD11 LEU A 25 2.078 0.483 -1.660 1.00 21.22 H new ATOM 0 HD12 LEU A 25 3.851 0.364 -1.768 1.00 21.22 H new ATOM 0 HD13 LEU A 25 2.911 -0.966 -1.050 1.00 21.22 H new ATOM 0 HD21 LEU A 25 0.975 0.869 0.515 1.00 53.31 H new ATOM 0 HD22 LEU A 25 1.754 -0.562 1.231 1.00 53.31 H new ATOM 0 HD23 LEU A 25 1.940 1.031 2.001 1.00 53.31 H new ATOM 386 N ARG A 26 7.034 0.559 2.481 1.00 12.12 N ATOM 387 CA ARG A 26 8.281 -0.001 3.029 1.00 63.42 C ATOM 388 C ARG A 26 8.449 0.362 4.514 1.00 23.32 C ATOM 389 O ARG A 26 8.926 -0.446 5.313 1.00 21.53 O ATOM 390 CB ARG A 26 9.494 0.482 2.222 1.00 13.11 C ATOM 391 CG ARG A 26 9.468 0.039 0.761 1.00 72.24 C ATOM 392 CD ARG A 26 10.747 0.414 0.022 1.00 14.41 C ATOM 393 NE ARG A 26 11.912 -0.281 0.567 1.00 73.04 N ATOM 394 CZ ARG A 26 12.904 -0.733 -0.153 1.00 62.35 C ATOM 395 NH1 ARG A 26 12.933 -0.543 -1.434 1.00 0.21 N ATOM 396 NH2 ARG A 26 13.877 -1.364 0.419 1.00 3.30 N ATOM 0 H ARG A 26 7.168 1.213 1.710 1.00 12.12 H new ATOM 0 HA ARG A 26 8.219 -1.086 2.950 1.00 63.42 H new ATOM 0 HB2 ARG A 26 9.538 1.570 2.263 1.00 13.11 H new ATOM 0 HB3 ARG A 26 10.404 0.109 2.691 1.00 13.11 H new ATOM 0 HG2 ARG A 26 9.326 -1.041 0.713 1.00 72.24 H new ATOM 0 HG3 ARG A 26 8.614 0.495 0.260 1.00 72.24 H new ATOM 0 HD2 ARG A 26 10.641 0.171 -1.035 1.00 14.41 H new ATOM 0 HD3 ARG A 26 10.902 1.491 0.088 1.00 14.41 H new ATOM 0 HE ARG A 26 11.953 -0.422 1.576 1.00 73.04 H new ATOM 0 HH11 ARG A 26 12.176 -0.035 -1.892 1.00 0.21 H new ATOM 0 HH12 ARG A 26 13.713 -0.901 -1.985 1.00 0.21 H new ATOM 0 HH21 ARG A 26 13.868 -1.507 1.429 1.00 3.30 H new ATOM 0 HH22 ARG A 26 14.653 -1.718 -0.140 1.00 3.30 H new ATOM 410 N SER A 27 8.043 1.577 4.875 1.00 23.01 N ATOM 411 CA SER A 27 8.052 2.014 6.281 1.00 40.21 C ATOM 412 C SER A 27 7.105 1.154 7.131 1.00 4.44 C ATOM 413 O SER A 27 7.410 0.821 8.276 1.00 33.13 O ATOM 414 CB SER A 27 7.642 3.492 6.391 1.00 62.41 C ATOM 415 OG SER A 27 7.697 3.954 7.736 1.00 74.44 O ATOM 0 H SER A 27 7.703 2.280 4.219 1.00 23.01 H new ATOM 0 HA SER A 27 9.068 1.895 6.658 1.00 40.21 H new ATOM 0 HB2 SER A 27 8.300 4.100 5.770 1.00 62.41 H new ATOM 0 HB3 SER A 27 6.631 3.619 6.003 1.00 62.41 H new ATOM 0 HG SER A 27 7.432 4.897 7.769 1.00 74.44 H new ATOM 421 N TYR A 28 5.964 0.784 6.552 1.00 21.40 N ATOM 422 CA TYR A 28 4.966 -0.052 7.238 1.00 10.41 C ATOM 423 C TYR A 28 5.220 -1.557 7.028 1.00 50.33 C ATOM 424 O TYR A 28 4.286 -2.354 7.022 1.00 4.31 O ATOM 425 CB TYR A 28 3.555 0.327 6.763 1.00 35.43 C ATOM 426 CG TYR A 28 3.006 1.574 7.435 1.00 54.30 C ATOM 427 CD1 TYR A 28 3.461 2.841 7.085 1.00 31.30 C ATOM 428 CD2 TYR A 28 2.038 1.479 8.431 1.00 11.22 C ATOM 429 CE1 TYR A 28 2.970 3.974 7.709 1.00 32.32 C ATOM 430 CE2 TYR A 28 1.541 2.609 9.055 1.00 53.14 C ATOM 431 CZ TYR A 28 2.009 3.852 8.691 1.00 35.03 C ATOM 432 OH TYR A 28 1.523 4.976 9.322 1.00 44.14 O ATOM 0 H TYR A 28 5.702 1.050 5.603 1.00 21.40 H new ATOM 0 HA TYR A 28 5.054 0.138 8.308 1.00 10.41 H new ATOM 0 HB2 TYR A 28 3.573 0.483 5.684 1.00 35.43 H new ATOM 0 HB3 TYR A 28 2.879 -0.507 6.954 1.00 35.43 H new ATOM 0 HD1 TYR A 28 4.210 2.942 6.313 1.00 31.30 H new ATOM 0 HD2 TYR A 28 1.669 0.506 8.721 1.00 11.22 H new ATOM 0 HE1 TYR A 28 3.338 4.950 7.428 1.00 32.32 H new ATOM 0 HE2 TYR A 28 0.789 2.517 9.825 1.00 53.14 H new ATOM 0 HH TYR A 28 1.558 4.847 10.293 1.00 44.14 H new ATOM 442 N ASN A 29 6.489 -1.937 6.857 1.00 64.25 N ATOM 443 CA ASN A 29 6.882 -3.357 6.788 1.00 75.31 C ATOM 444 C ASN A 29 6.312 -4.062 5.533 1.00 31.14 C ATOM 445 O ASN A 29 6.306 -5.290 5.445 1.00 61.13 O ATOM 446 CB ASN A 29 6.440 -4.078 8.080 1.00 30.01 C ATOM 447 CG ASN A 29 6.968 -5.501 8.185 1.00 44.34 C ATOM 448 OD1 ASN A 29 6.308 -6.457 7.787 1.00 34.30 O ATOM 449 ND2 ASN A 29 8.162 -5.657 8.719 1.00 75.42 N ATOM 0 H ASN A 29 7.267 -1.284 6.763 1.00 64.25 H new ATOM 0 HA ASN A 29 7.968 -3.405 6.702 1.00 75.31 H new ATOM 0 HB2 ASN A 29 6.782 -3.506 8.942 1.00 30.01 H new ATOM 0 HB3 ASN A 29 5.351 -4.098 8.123 1.00 30.01 H new ATOM 0 HD21 ASN A 29 8.562 -6.591 8.811 1.00 75.42 H new ATOM 0 HD22 ASN A 29 8.687 -4.844 9.041 1.00 75.42 H new ATOM 456 N LEU A 30 5.860 -3.287 4.552 1.00 63.31 N ATOM 457 CA LEU A 30 5.313 -3.851 3.308 1.00 61.14 C ATOM 458 C LEU A 30 6.337 -3.810 2.159 1.00 42.43 C ATOM 459 O LEU A 30 5.979 -3.948 0.994 1.00 54.32 O ATOM 460 CB LEU A 30 4.040 -3.089 2.904 1.00 31.20 C ATOM 461 CG LEU A 30 2.893 -3.134 3.930 1.00 75.40 C ATOM 462 CD1 LEU A 30 1.735 -2.245 3.487 1.00 33.30 C ATOM 463 CD2 LEU A 30 2.418 -4.570 4.148 1.00 30.05 C ATOM 0 H LEU A 30 5.859 -2.268 4.588 1.00 63.31 H new ATOM 0 HA LEU A 30 5.072 -4.897 3.497 1.00 61.14 H new ATOM 0 HB2 LEU A 30 4.302 -2.047 2.722 1.00 31.20 H new ATOM 0 HB3 LEU A 30 3.677 -3.495 1.960 1.00 31.20 H new ATOM 0 HG LEU A 30 3.271 -2.752 4.878 1.00 75.40 H new ATOM 0 HD11 LEU A 30 0.936 -2.292 4.227 1.00 33.30 H new ATOM 0 HD12 LEU A 30 2.082 -1.216 3.393 1.00 33.30 H new ATOM 0 HD13 LEU A 30 1.359 -2.591 2.524 1.00 33.30 H new ATOM 0 HD21 LEU A 30 1.607 -4.578 4.877 1.00 30.05 H new ATOM 0 HD22 LEU A 30 2.062 -4.983 3.204 1.00 30.05 H new ATOM 0 HD23 LEU A 30 3.246 -5.175 4.519 1.00 30.05 H new ATOM 475 N GLY A 31 7.615 -3.651 2.492 1.00 11.41 N ATOM 476 CA GLY A 31 8.662 -3.583 1.473 1.00 51.13 C ATOM 477 C GLY A 31 8.815 -4.869 0.652 1.00 72.41 C ATOM 478 O GLY A 31 9.232 -4.827 -0.507 1.00 43.52 O ATOM 0 H GLY A 31 7.950 -3.567 3.452 1.00 11.41 H new ATOM 0 HA2 GLY A 31 8.444 -2.756 0.797 1.00 51.13 H new ATOM 0 HA3 GLY A 31 9.612 -3.357 1.957 1.00 51.13 H new ATOM 482 N CYS A 32 8.478 -6.011 1.248 1.00 22.12 N ATOM 483 CA CYS A 32 8.625 -7.317 0.579 1.00 13.11 C ATOM 484 C CYS A 32 7.606 -7.527 -0.556 1.00 71.45 C ATOM 485 O CYS A 32 7.733 -8.476 -1.333 1.00 71.11 O ATOM 486 CB CYS A 32 8.495 -8.459 1.596 1.00 55.51 C ATOM 487 SG CYS A 32 8.571 -10.114 0.867 1.00 74.13 S ATOM 0 H CYS A 32 8.100 -6.066 2.194 1.00 22.12 H new ATOM 0 HA CYS A 32 9.620 -7.323 0.133 1.00 13.11 H new ATOM 0 HB2 CYS A 32 9.289 -8.363 2.336 1.00 55.51 H new ATOM 0 HB3 CYS A 32 7.549 -8.351 2.127 1.00 55.51 H new ATOM 0 HG CYS A 32 8.315 -10.040 -0.405 1.00 74.13 H new ATOM 493 N ILE A 33 6.612 -6.640 -0.668 1.00 34.45 N ATOM 494 CA ILE A 33 5.559 -6.774 -1.692 1.00 43.32 C ATOM 495 C ILE A 33 6.130 -6.977 -3.107 1.00 32.04 C ATOM 496 O ILE A 33 5.515 -7.647 -3.941 1.00 3.00 O ATOM 497 CB ILE A 33 4.610 -5.549 -1.713 1.00 62.34 C ATOM 498 CG1 ILE A 33 5.404 -4.251 -1.957 1.00 40.21 C ATOM 499 CG2 ILE A 33 3.801 -5.474 -0.419 1.00 63.40 C ATOM 500 CD1 ILE A 33 4.544 -3.005 -2.047 1.00 73.33 C ATOM 0 H ILE A 33 6.510 -5.823 -0.067 1.00 34.45 H new ATOM 0 HA ILE A 33 4.998 -7.664 -1.409 1.00 43.32 H new ATOM 0 HB ILE A 33 3.907 -5.668 -2.538 1.00 62.34 H new ATOM 0 HG12 ILE A 33 6.126 -4.123 -1.151 1.00 40.21 H new ATOM 0 HG13 ILE A 33 5.973 -4.354 -2.881 1.00 40.21 H new ATOM 0 HG21 ILE A 33 3.141 -4.608 -0.452 1.00 63.40 H new ATOM 0 HG22 ILE A 33 3.205 -6.380 -0.309 1.00 63.40 H new ATOM 0 HG23 ILE A 33 4.479 -5.381 0.429 1.00 63.40 H new ATOM 0 HD11 ILE A 33 5.179 -2.136 -2.220 1.00 73.33 H new ATOM 0 HD12 ILE A 33 3.839 -3.108 -2.872 1.00 73.33 H new ATOM 0 HD13 ILE A 33 3.995 -2.874 -1.115 1.00 73.33 H new ATOM 512 N GLY A 34 7.301 -6.395 -3.370 1.00 12.22 N ATOM 513 CA GLY A 34 7.945 -6.545 -4.670 1.00 60.13 C ATOM 514 C GLY A 34 8.488 -7.950 -4.910 1.00 71.21 C ATOM 515 O GLY A 34 8.504 -8.434 -6.039 1.00 35.45 O ATOM 0 H GLY A 34 7.817 -5.820 -2.704 1.00 12.22 H new ATOM 0 HA2 GLY A 34 7.229 -6.300 -5.454 1.00 60.13 H new ATOM 0 HA3 GLY A 34 8.762 -5.828 -4.749 1.00 60.13 H new ATOM 519 N CYS A 35 8.930 -8.610 -3.841 1.00 21.32 N ATOM 520 CA CYS A 35 9.503 -9.960 -3.939 1.00 23.54 C ATOM 521 C CYS A 35 8.419 -11.047 -3.860 1.00 11.23 C ATOM 522 O CYS A 35 8.369 -11.952 -4.694 1.00 23.23 O ATOM 523 CB CYS A 35 10.534 -10.180 -2.825 1.00 30.33 C ATOM 524 SG CYS A 35 11.374 -11.779 -2.898 1.00 61.23 S ATOM 0 H CYS A 35 8.904 -8.235 -2.893 1.00 21.32 H new ATOM 0 HA CYS A 35 9.990 -10.038 -4.911 1.00 23.54 H new ATOM 0 HB2 CYS A 35 11.281 -9.387 -2.875 1.00 30.33 H new ATOM 0 HB3 CYS A 35 10.035 -10.088 -1.860 1.00 30.33 H new ATOM 0 HG CYS A 35 12.224 -11.868 -1.919 1.00 61.23 H new ATOM 530 N MET A 36 7.533 -10.938 -2.869 1.00 23.50 N ATOM 531 CA MET A 36 6.492 -11.957 -2.630 1.00 41.23 C ATOM 532 C MET A 36 5.329 -11.879 -3.645 1.00 43.01 C ATOM 533 O MET A 36 4.268 -12.470 -3.429 1.00 45.32 O ATOM 534 CB MET A 36 5.947 -11.824 -1.197 1.00 25.13 C ATOM 535 CG MET A 36 5.249 -10.498 -0.914 1.00 5.15 C ATOM 536 SD MET A 36 4.654 -10.365 0.786 1.00 54.33 S ATOM 537 CE MET A 36 3.505 -11.743 0.861 1.00 63.13 C ATOM 0 H MET A 36 7.510 -10.156 -2.215 1.00 23.50 H new ATOM 0 HA MET A 36 6.964 -12.930 -2.762 1.00 41.23 H new ATOM 0 HB2 MET A 36 5.246 -12.638 -1.010 1.00 25.13 H new ATOM 0 HB3 MET A 36 6.771 -11.945 -0.494 1.00 25.13 H new ATOM 0 HG2 MET A 36 5.939 -9.679 -1.117 1.00 5.15 H new ATOM 0 HG3 MET A 36 4.408 -10.383 -1.598 1.00 5.15 H new ATOM 0 HE1 MET A 36 2.833 -11.610 1.709 1.00 63.13 H new ATOM 0 HE2 MET A 36 2.924 -11.783 -0.060 1.00 63.13 H new ATOM 0 HE3 MET A 36 4.060 -12.673 0.980 1.00 63.13 H new ATOM 547 N GLY A 37 5.523 -11.143 -4.740 1.00 35.34 N ATOM 548 CA GLY A 37 4.511 -11.073 -5.797 1.00 54.42 C ATOM 549 C GLY A 37 3.275 -10.255 -5.423 1.00 11.14 C ATOM 550 O GLY A 37 2.319 -10.180 -6.200 1.00 12.13 O ATOM 0 H GLY A 37 6.362 -10.592 -4.918 1.00 35.34 H new ATOM 0 HA2 GLY A 37 4.963 -10.641 -6.690 1.00 54.42 H new ATOM 0 HA3 GLY A 37 4.199 -12.085 -6.055 1.00 54.42 H new ATOM 554 N ALA A 38 3.301 -9.612 -4.254 1.00 72.22 N ATOM 555 CA ALA A 38 2.150 -8.835 -3.769 1.00 12.02 C ATOM 556 C ALA A 38 1.886 -7.584 -4.629 1.00 55.13 C ATOM 557 O ALA A 38 0.915 -6.866 -4.407 1.00 1.44 O ATOM 558 CB ALA A 38 2.352 -8.447 -2.310 1.00 52.44 C ATOM 0 H ALA A 38 4.103 -9.612 -3.624 1.00 72.22 H new ATOM 0 HA ALA A 38 1.270 -9.472 -3.852 1.00 12.02 H new ATOM 0 HB1 ALA A 38 1.493 -7.872 -1.964 1.00 52.44 H new ATOM 0 HB2 ALA A 38 2.454 -9.348 -1.705 1.00 52.44 H new ATOM 0 HB3 ALA A 38 3.254 -7.843 -2.216 1.00 52.44 H new ATOM 564 N GLN A 39 2.757 -7.325 -5.606 1.00 55.34 N ATOM 565 CA GLN A 39 2.537 -6.243 -6.577 1.00 70.35 C ATOM 566 C GLN A 39 1.159 -6.374 -7.248 1.00 70.52 C ATOM 567 O GLN A 39 0.484 -5.379 -7.508 1.00 30.32 O ATOM 568 CB GLN A 39 3.634 -6.263 -7.652 1.00 64.10 C ATOM 569 CG GLN A 39 5.032 -5.945 -7.130 1.00 50.24 C ATOM 570 CD GLN A 39 5.137 -4.536 -6.571 1.00 3.23 C ATOM 571 OE1 GLN A 39 5.435 -3.588 -7.288 1.00 11.41 O ATOM 572 NE2 GLN A 39 4.890 -4.388 -5.284 1.00 73.14 N ATOM 0 H GLN A 39 3.622 -7.847 -5.749 1.00 55.34 H new ATOM 0 HA GLN A 39 2.573 -5.297 -6.037 1.00 70.35 H new ATOM 0 HB2 GLN A 39 3.649 -7.247 -8.120 1.00 64.10 H new ATOM 0 HB3 GLN A 39 3.377 -5.544 -8.430 1.00 64.10 H new ATOM 0 HG2 GLN A 39 5.298 -6.662 -6.353 1.00 50.24 H new ATOM 0 HG3 GLN A 39 5.754 -6.067 -7.937 1.00 50.24 H new ATOM 0 HE21 GLN A 39 4.645 -5.198 -4.715 1.00 73.14 H new ATOM 0 HE22 GLN A 39 4.944 -3.463 -4.857 1.00 73.14 H new ATOM 581 N ASN A 40 0.750 -7.618 -7.505 1.00 40.20 N ATOM 582 CA ASN A 40 -0.527 -7.903 -8.177 1.00 62.01 C ATOM 583 C ASN A 40 -1.666 -8.124 -7.163 1.00 1.12 C ATOM 584 O ASN A 40 -2.743 -8.603 -7.519 1.00 43.43 O ATOM 585 CB ASN A 40 -0.379 -9.147 -9.067 1.00 21.41 C ATOM 586 CG ASN A 40 0.826 -9.067 -9.990 1.00 61.31 C ATOM 587 OD1 ASN A 40 0.761 -8.494 -11.072 1.00 61.15 O ATOM 588 ND2 ASN A 40 1.930 -9.662 -9.583 1.00 11.43 N ATOM 0 H ASN A 40 1.285 -8.450 -7.258 1.00 40.20 H new ATOM 0 HA ASN A 40 -0.784 -7.038 -8.788 1.00 62.01 H new ATOM 0 HB2 ASN A 40 -0.291 -10.032 -8.436 1.00 21.41 H new ATOM 0 HB3 ASN A 40 -1.282 -9.271 -9.665 1.00 21.41 H new ATOM 0 HD21 ASN A 40 2.761 -9.654 -10.174 1.00 11.43 H new ATOM 0 HD22 ASN A 40 1.953 -10.130 -8.677 1.00 11.43 H new ATOM 595 N GLU A 41 -1.430 -7.755 -5.905 1.00 2.44 N ATOM 596 CA GLU A 41 -2.405 -7.986 -4.832 1.00 73.22 C ATOM 597 C GLU A 41 -2.937 -6.659 -4.260 1.00 1.43 C ATOM 598 O GLU A 41 -2.245 -5.640 -4.281 1.00 41.01 O ATOM 599 CB GLU A 41 -1.751 -8.832 -3.727 1.00 13.15 C ATOM 600 CG GLU A 41 -2.698 -9.251 -2.610 1.00 73.24 C ATOM 601 CD GLU A 41 -2.067 -10.255 -1.654 1.00 52.41 C ATOM 602 OE1 GLU A 41 -2.096 -11.468 -1.957 1.00 33.45 O ATOM 603 OE2 GLU A 41 -1.538 -9.842 -0.606 1.00 3.43 O ATOM 0 H GLU A 41 -0.573 -7.294 -5.600 1.00 2.44 H new ATOM 0 HA GLU A 41 -3.259 -8.524 -5.244 1.00 73.22 H new ATOM 0 HB2 GLU A 41 -1.322 -9.727 -4.178 1.00 13.15 H new ATOM 0 HB3 GLU A 41 -0.926 -8.266 -3.294 1.00 13.15 H new ATOM 0 HG2 GLU A 41 -3.008 -8.368 -2.051 1.00 73.24 H new ATOM 0 HG3 GLU A 41 -3.598 -9.685 -3.045 1.00 73.24 H new ATOM 610 N SER A 42 -4.175 -6.678 -3.760 1.00 12.34 N ATOM 611 CA SER A 42 -4.818 -5.471 -3.211 1.00 4.51 C ATOM 612 C SER A 42 -4.218 -5.063 -1.858 1.00 54.44 C ATOM 613 O SER A 42 -3.724 -5.902 -1.102 1.00 33.43 O ATOM 614 CB SER A 42 -6.331 -5.684 -3.071 1.00 60.11 C ATOM 615 OG SER A 42 -6.947 -5.872 -4.340 1.00 50.20 O ATOM 0 H SER A 42 -4.757 -7.515 -3.722 1.00 12.34 H new ATOM 0 HA SER A 42 -4.632 -4.660 -3.914 1.00 4.51 H new ATOM 0 HB2 SER A 42 -6.521 -6.552 -2.440 1.00 60.11 H new ATOM 0 HB3 SER A 42 -6.777 -4.824 -2.572 1.00 60.11 H new ATOM 0 HG SER A 42 -7.349 -5.029 -4.637 1.00 50.20 H new ATOM 621 N LEU A 43 -4.283 -3.764 -1.556 1.00 42.52 N ATOM 622 CA LEU A 43 -3.650 -3.197 -0.353 1.00 24.14 C ATOM 623 C LEU A 43 -4.044 -3.925 0.950 1.00 13.51 C ATOM 624 O LEU A 43 -3.179 -4.270 1.759 1.00 21.33 O ATOM 625 CB LEU A 43 -3.983 -1.701 -0.231 1.00 64.11 C ATOM 626 CG LEU A 43 -3.434 -0.803 -1.357 1.00 50.11 C ATOM 627 CD1 LEU A 43 -3.823 0.654 -1.125 1.00 52.12 C ATOM 628 CD2 LEU A 43 -1.917 -0.944 -1.471 1.00 21.13 C ATOM 0 H LEU A 43 -4.771 -3.077 -2.131 1.00 42.52 H new ATOM 0 HA LEU A 43 -2.576 -3.336 -0.480 1.00 24.14 H new ATOM 0 HB2 LEU A 43 -5.067 -1.590 -0.198 1.00 64.11 H new ATOM 0 HB3 LEU A 43 -3.596 -1.337 0.721 1.00 64.11 H new ATOM 0 HG LEU A 43 -3.878 -1.129 -2.297 1.00 50.11 H new ATOM 0 HD11 LEU A 43 -3.425 1.270 -1.932 1.00 52.12 H new ATOM 0 HD12 LEU A 43 -4.909 0.742 -1.104 1.00 52.12 H new ATOM 0 HD13 LEU A 43 -3.413 0.993 -0.174 1.00 52.12 H new ATOM 0 HD21 LEU A 43 -1.551 -0.301 -2.272 1.00 21.13 H new ATOM 0 HD22 LEU A 43 -1.453 -0.651 -0.530 1.00 21.13 H new ATOM 0 HD23 LEU A 43 -1.664 -1.981 -1.693 1.00 21.13 H new ATOM 640 N GLU A 44 -5.341 -4.158 1.157 1.00 22.33 N ATOM 641 CA GLU A 44 -5.811 -4.762 2.412 1.00 63.43 C ATOM 642 C GLU A 44 -5.366 -6.225 2.552 1.00 73.43 C ATOM 643 O GLU A 44 -4.983 -6.657 3.641 1.00 44.34 O ATOM 644 CB GLU A 44 -7.336 -4.653 2.542 1.00 75.52 C ATOM 645 CG GLU A 44 -7.888 -5.284 3.818 1.00 13.24 C ATOM 646 CD GLU A 44 -9.352 -4.961 4.059 1.00 33.34 C ATOM 647 OE1 GLU A 44 -10.212 -5.458 3.303 1.00 13.12 O ATOM 648 OE2 GLU A 44 -9.650 -4.195 5.002 1.00 31.10 O ATOM 0 H GLU A 44 -6.078 -3.943 0.485 1.00 22.33 H new ATOM 0 HA GLU A 44 -5.351 -4.198 3.224 1.00 63.43 H new ATOM 0 HB2 GLU A 44 -7.620 -3.601 2.515 1.00 75.52 H new ATOM 0 HB3 GLU A 44 -7.801 -5.131 1.680 1.00 75.52 H new ATOM 0 HG2 GLU A 44 -7.765 -6.366 3.763 1.00 13.24 H new ATOM 0 HG3 GLU A 44 -7.301 -4.939 4.670 1.00 13.24 H new ATOM 655 N GLN A 45 -5.415 -6.984 1.458 1.00 71.22 N ATOM 656 CA GLN A 45 -4.957 -8.380 1.470 1.00 3.54 C ATOM 657 C GLN A 45 -3.504 -8.475 1.973 1.00 73.20 C ATOM 658 O GLN A 45 -3.194 -9.251 2.883 1.00 31.24 O ATOM 659 CB GLN A 45 -5.071 -8.997 0.067 1.00 72.20 C ATOM 660 CG GLN A 45 -6.480 -8.941 -0.521 1.00 60.13 C ATOM 661 CD GLN A 45 -6.580 -9.600 -1.887 1.00 32.44 C ATOM 662 OE1 GLN A 45 -5.870 -10.554 -2.187 1.00 12.41 O ATOM 663 NE2 GLN A 45 -7.463 -9.101 -2.727 1.00 32.43 N ATOM 0 H GLN A 45 -5.764 -6.662 0.555 1.00 71.22 H new ATOM 0 HA GLN A 45 -5.597 -8.939 2.153 1.00 3.54 H new ATOM 0 HB2 GLN A 45 -4.387 -8.478 -0.604 1.00 72.20 H new ATOM 0 HB3 GLN A 45 -4.747 -10.037 0.111 1.00 72.20 H new ATOM 0 HG2 GLN A 45 -7.173 -9.430 0.164 1.00 60.13 H new ATOM 0 HG3 GLN A 45 -6.793 -7.900 -0.602 1.00 60.13 H new ATOM 0 HE21 GLN A 45 -8.039 -8.307 -2.449 1.00 32.43 H new ATOM 0 HE22 GLN A 45 -7.570 -9.509 -3.656 1.00 32.43 H new ATOM 672 N GLY A 46 -2.625 -7.660 1.386 1.00 14.42 N ATOM 673 CA GLY A 46 -1.240 -7.590 1.839 1.00 72.20 C ATOM 674 C GLY A 46 -1.113 -7.112 3.284 1.00 32.32 C ATOM 675 O GLY A 46 -0.237 -7.569 4.025 1.00 72.42 O ATOM 0 H GLY A 46 -2.848 -7.045 0.603 1.00 14.42 H new ATOM 0 HA2 GLY A 46 -0.782 -8.575 1.745 1.00 72.20 H new ATOM 0 HA3 GLY A 46 -0.683 -6.916 1.188 1.00 72.20 H new ATOM 679 N ALA A 47 -1.991 -6.192 3.691 1.00 10.34 N ATOM 680 CA ALA A 47 -2.024 -5.712 5.076 1.00 33.24 C ATOM 681 C ALA A 47 -2.299 -6.866 6.055 1.00 63.05 C ATOM 682 O ALA A 47 -1.581 -7.038 7.040 1.00 42.50 O ATOM 683 CB ALA A 47 -3.067 -4.609 5.237 1.00 53.14 C ATOM 0 H ALA A 47 -2.689 -5.764 3.082 1.00 10.34 H new ATOM 0 HA ALA A 47 -1.044 -5.297 5.313 1.00 33.24 H new ATOM 0 HB1 ALA A 47 -3.077 -4.266 6.271 1.00 53.14 H new ATOM 0 HB2 ALA A 47 -2.819 -3.775 4.580 1.00 53.14 H new ATOM 0 HB3 ALA A 47 -4.051 -4.998 4.974 1.00 53.14 H new ATOM 689 N ASN A 48 -3.329 -7.663 5.768 1.00 41.51 N ATOM 690 CA ASN A 48 -3.643 -8.849 6.581 1.00 65.21 C ATOM 691 C ASN A 48 -2.459 -9.828 6.631 1.00 74.12 C ATOM 692 O ASN A 48 -2.204 -10.455 7.658 1.00 21.34 O ATOM 693 CB ASN A 48 -4.887 -9.572 6.046 1.00 40.22 C ATOM 694 CG ASN A 48 -6.171 -8.821 6.347 1.00 43.30 C ATOM 695 OD1 ASN A 48 -6.770 -8.991 7.405 1.00 0.53 O ATOM 696 ND2 ASN A 48 -6.617 -7.999 5.417 1.00 62.41 N ATOM 0 H ASN A 48 -3.961 -7.513 4.982 1.00 41.51 H new ATOM 0 HA ASN A 48 -3.845 -8.497 7.593 1.00 65.21 H new ATOM 0 HB2 ASN A 48 -4.791 -9.704 4.968 1.00 40.22 H new ATOM 0 HB3 ASN A 48 -4.941 -10.568 6.485 1.00 40.22 H new ATOM 0 HD21 ASN A 48 -7.484 -7.482 5.566 1.00 62.41 H new ATOM 0 HD22 ASN A 48 -6.095 -7.880 4.549 1.00 62.41 H new ATOM 703 N ALA A 49 -1.741 -9.954 5.516 1.00 11.43 N ATOM 704 CA ALA A 49 -0.544 -10.805 5.458 1.00 41.32 C ATOM 705 C ALA A 49 0.537 -10.335 6.449 1.00 62.43 C ATOM 706 O ALA A 49 1.309 -11.138 6.972 1.00 61.35 O ATOM 707 CB ALA A 49 0.017 -10.828 4.040 1.00 43.41 C ATOM 0 H ALA A 49 -1.963 -9.481 4.640 1.00 11.43 H new ATOM 0 HA ALA A 49 -0.841 -11.814 5.745 1.00 41.32 H new ATOM 0 HB1 ALA A 49 0.903 -11.462 4.010 1.00 43.41 H new ATOM 0 HB2 ALA A 49 -0.735 -11.223 3.357 1.00 43.41 H new ATOM 0 HB3 ALA A 49 0.284 -9.815 3.738 1.00 43.41 H new ATOM 713 N HIS A 50 0.584 -9.026 6.704 1.00 10.35 N ATOM 714 CA HIS A 50 1.560 -8.446 7.641 1.00 30.34 C ATOM 715 C HIS A 50 0.903 -8.022 8.971 1.00 52.22 C ATOM 716 O HIS A 50 1.542 -7.384 9.809 1.00 61.13 O ATOM 717 CB HIS A 50 2.275 -7.254 6.983 1.00 31.52 C ATOM 718 CG HIS A 50 3.158 -7.649 5.834 1.00 10.01 C ATOM 719 ND1 HIS A 50 4.507 -7.382 5.794 1.00 1.43 N ATOM 720 CD2 HIS A 50 2.877 -8.304 4.684 1.00 50.35 C ATOM 721 CE1 HIS A 50 5.017 -7.857 4.676 1.00 51.43 C ATOM 722 NE2 HIS A 50 4.051 -8.423 3.980 1.00 62.40 N ATOM 0 H HIS A 50 -0.041 -8.343 6.276 1.00 10.35 H new ATOM 0 HA HIS A 50 2.293 -9.217 7.879 1.00 30.34 H new ATOM 0 HB2 HIS A 50 1.529 -6.542 6.630 1.00 31.52 H new ATOM 0 HB3 HIS A 50 2.876 -6.741 7.734 1.00 31.52 H new ATOM 0 HD1 HIS A 50 5.032 -6.892 6.518 1.00 1.43 H new ATOM 0 HD2 HIS A 50 1.908 -8.667 4.376 1.00 50.35 H new ATOM 0 HE1 HIS A 50 6.053 -7.793 4.379 1.00 51.43 H new ATOM 731 N GLY A 51 -0.367 -8.393 9.160 1.00 20.30 N ATOM 732 CA GLY A 51 -1.080 -8.088 10.404 1.00 72.04 C ATOM 733 C GLY A 51 -1.252 -6.592 10.666 1.00 23.54 C ATOM 734 O GLY A 51 -1.131 -6.129 11.806 1.00 1.04 O ATOM 0 H GLY A 51 -0.920 -8.903 8.471 1.00 20.30 H new ATOM 0 HA2 GLY A 51 -2.063 -8.557 10.373 1.00 72.04 H new ATOM 0 HA3 GLY A 51 -0.541 -8.534 11.240 1.00 72.04 H new ATOM 738 N LEU A 52 -1.551 -5.835 9.617 1.00 23.01 N ATOM 739 CA LEU A 52 -1.693 -4.378 9.725 1.00 25.32 C ATOM 740 C LEU A 52 -3.126 -3.922 9.415 1.00 44.51 C ATOM 741 O LEU A 52 -3.924 -4.668 8.845 1.00 63.12 O ATOM 742 CB LEU A 52 -0.718 -3.688 8.762 1.00 55.42 C ATOM 743 CG LEU A 52 0.768 -4.022 8.974 1.00 72.04 C ATOM 744 CD1 LEU A 52 1.625 -3.349 7.908 1.00 51.10 C ATOM 745 CD2 LEU A 52 1.223 -3.609 10.374 1.00 21.02 C ATOM 0 H LEU A 52 -1.701 -6.202 8.677 1.00 23.01 H new ATOM 0 HA LEU A 52 -1.464 -4.098 10.753 1.00 25.32 H new ATOM 0 HB2 LEU A 52 -0.991 -3.957 7.742 1.00 55.42 H new ATOM 0 HB3 LEU A 52 -0.847 -2.609 8.853 1.00 55.42 H new ATOM 0 HG LEU A 52 0.892 -5.101 8.883 1.00 72.04 H new ATOM 0 HD11 LEU A 52 2.673 -3.597 8.074 1.00 51.10 H new ATOM 0 HD12 LEU A 52 1.321 -3.700 6.922 1.00 51.10 H new ATOM 0 HD13 LEU A 52 1.494 -2.268 7.965 1.00 51.10 H new ATOM 0 HD21 LEU A 52 2.277 -3.855 10.501 1.00 21.02 H new ATOM 0 HD22 LEU A 52 1.083 -2.535 10.500 1.00 21.02 H new ATOM 0 HD23 LEU A 52 0.634 -4.142 11.120 1.00 21.02 H new ATOM 757 N ASN A 53 -3.444 -2.692 9.810 1.00 24.22 N ATOM 758 CA ASN A 53 -4.731 -2.068 9.484 1.00 22.24 C ATOM 759 C ASN A 53 -4.609 -1.224 8.210 1.00 20.52 C ATOM 760 O ASN A 53 -3.924 -0.197 8.195 1.00 4.44 O ATOM 761 CB ASN A 53 -5.220 -1.199 10.657 1.00 14.03 C ATOM 762 CG ASN A 53 -6.438 -0.358 10.305 1.00 42.35 C ATOM 763 OD1 ASN A 53 -7.222 -0.703 9.428 1.00 44.43 O ATOM 764 ND2 ASN A 53 -6.612 0.750 10.993 1.00 3.54 N ATOM 0 H ASN A 53 -2.824 -2.100 10.362 1.00 24.22 H new ATOM 0 HA ASN A 53 -5.462 -2.857 9.309 1.00 22.24 H new ATOM 0 HB2 ASN A 53 -5.462 -1.843 11.503 1.00 14.03 H new ATOM 0 HB3 ASN A 53 -4.411 -0.542 10.977 1.00 14.03 H new ATOM 0 HD21 ASN A 53 -7.416 1.348 10.802 1.00 3.54 H new ATOM 0 HD22 ASN A 53 -5.943 1.011 11.717 1.00 3.54 H new ATOM 771 N VAL A 54 -5.288 -1.650 7.149 1.00 4.25 N ATOM 772 CA VAL A 54 -5.207 -0.963 5.859 1.00 3.40 C ATOM 773 C VAL A 54 -5.619 0.516 5.971 1.00 52.41 C ATOM 774 O VAL A 54 -5.065 1.368 5.290 1.00 4.04 O ATOM 775 CB VAL A 54 -6.085 -1.663 4.787 1.00 34.22 C ATOM 776 CG1 VAL A 54 -7.567 -1.565 5.141 1.00 31.14 C ATOM 777 CG2 VAL A 54 -5.815 -1.081 3.399 1.00 45.20 C ATOM 0 H VAL A 54 -5.900 -2.466 7.154 1.00 4.25 H new ATOM 0 HA VAL A 54 -4.163 -1.011 5.549 1.00 3.40 H new ATOM 0 HB VAL A 54 -5.816 -2.719 4.770 1.00 34.22 H new ATOM 0 HG11 VAL A 54 -8.158 -2.064 4.373 1.00 31.14 H new ATOM 0 HG12 VAL A 54 -7.744 -2.045 6.104 1.00 31.14 H new ATOM 0 HG13 VAL A 54 -7.859 -0.516 5.199 1.00 31.14 H new ATOM 0 HG21 VAL A 54 -6.441 -1.587 2.664 1.00 45.20 H new ATOM 0 HG22 VAL A 54 -6.045 -0.016 3.400 1.00 45.20 H new ATOM 0 HG23 VAL A 54 -4.766 -1.225 3.142 1.00 45.20 H new ATOM 787 N GLU A 55 -6.574 0.814 6.852 1.00 34.44 N ATOM 788 CA GLU A 55 -7.086 2.183 7.007 1.00 60.41 C ATOM 789 C GLU A 55 -6.023 3.142 7.567 1.00 50.24 C ATOM 790 O GLU A 55 -6.016 4.333 7.241 1.00 41.04 O ATOM 791 CB GLU A 55 -8.329 2.187 7.903 1.00 64.42 C ATOM 792 CG GLU A 55 -9.497 1.407 7.310 1.00 55.42 C ATOM 793 CD GLU A 55 -10.709 1.370 8.225 1.00 23.31 C ATOM 794 OE1 GLU A 55 -11.522 2.319 8.186 1.00 64.04 O ATOM 795 OE2 GLU A 55 -10.860 0.384 8.976 1.00 13.24 O ATOM 0 H GLU A 55 -7.010 0.130 7.470 1.00 34.44 H new ATOM 0 HA GLU A 55 -7.355 2.542 6.014 1.00 60.41 H new ATOM 0 HB2 GLU A 55 -8.071 1.762 8.873 1.00 64.42 H new ATOM 0 HB3 GLU A 55 -8.640 3.217 8.078 1.00 64.42 H new ATOM 0 HG2 GLU A 55 -9.781 1.855 6.358 1.00 55.42 H new ATOM 0 HG3 GLU A 55 -9.176 0.387 7.099 1.00 55.42 H new ATOM 802 N ASP A 56 -5.124 2.626 8.406 1.00 11.12 N ATOM 803 CA ASP A 56 -4.022 3.433 8.938 1.00 63.33 C ATOM 804 C ASP A 56 -3.005 3.730 7.823 1.00 60.31 C ATOM 805 O ASP A 56 -2.421 4.811 7.763 1.00 13.43 O ATOM 806 CB ASP A 56 -3.347 2.707 10.113 1.00 74.21 C ATOM 807 CG ASP A 56 -2.399 3.612 10.883 1.00 43.12 C ATOM 808 OD1 ASP A 56 -2.870 4.372 11.755 1.00 63.32 O ATOM 809 OD2 ASP A 56 -1.179 3.582 10.617 1.00 64.24 O ATOM 0 H ASP A 56 -5.135 1.659 8.731 1.00 11.12 H new ATOM 0 HA ASP A 56 -4.419 4.379 9.307 1.00 63.33 H new ATOM 0 HB2 ASP A 56 -4.112 2.326 10.790 1.00 74.21 H new ATOM 0 HB3 ASP A 56 -2.797 1.845 9.736 1.00 74.21 H new ATOM 814 N ILE A 57 -2.819 2.760 6.929 1.00 25.31 N ATOM 815 CA ILE A 57 -1.952 2.933 5.758 1.00 53.45 C ATOM 816 C ILE A 57 -2.578 3.917 4.749 1.00 51.11 C ATOM 817 O ILE A 57 -1.930 4.867 4.302 1.00 32.41 O ATOM 818 CB ILE A 57 -1.686 1.575 5.057 1.00 72.24 C ATOM 819 CG1 ILE A 57 -1.151 0.546 6.069 1.00 13.31 C ATOM 820 CG2 ILE A 57 -0.706 1.748 3.896 1.00 71.04 C ATOM 821 CD1 ILE A 57 -0.976 -0.846 5.494 1.00 41.13 C ATOM 0 H ILE A 57 -3.258 1.841 6.991 1.00 25.31 H new ATOM 0 HA ILE A 57 -1.005 3.341 6.112 1.00 53.45 H new ATOM 0 HB ILE A 57 -2.629 1.206 4.653 1.00 72.24 H new ATOM 0 HG12 ILE A 57 -0.192 0.893 6.453 1.00 13.31 H new ATOM 0 HG13 ILE A 57 -1.834 0.495 6.917 1.00 13.31 H new ATOM 0 HG21 ILE A 57 -0.534 0.783 3.419 1.00 71.04 H new ATOM 0 HG22 ILE A 57 -1.123 2.444 3.168 1.00 71.04 H new ATOM 0 HG23 ILE A 57 0.239 2.140 4.273 1.00 71.04 H new ATOM 0 HD11 ILE A 57 -0.596 -1.514 6.267 1.00 41.13 H new ATOM 0 HD12 ILE A 57 -1.937 -1.215 5.136 1.00 41.13 H new ATOM 0 HD13 ILE A 57 -0.269 -0.811 4.665 1.00 41.13 H new ATOM 833 N LEU A 58 -3.854 3.688 4.409 1.00 45.33 N ATOM 834 CA LEU A 58 -4.599 4.564 3.491 1.00 43.30 C ATOM 835 C LEU A 58 -4.571 6.018 3.966 1.00 22.13 C ATOM 836 O LEU A 58 -4.564 6.946 3.154 1.00 51.11 O ATOM 837 CB LEU A 58 -6.059 4.102 3.360 1.00 51.33 C ATOM 838 CG LEU A 58 -6.257 2.692 2.786 1.00 40.11 C ATOM 839 CD1 LEU A 58 -7.742 2.353 2.680 1.00 63.34 C ATOM 840 CD2 LEU A 58 -5.576 2.560 1.427 1.00 45.10 C ATOM 0 H LEU A 58 -4.396 2.898 4.758 1.00 45.33 H new ATOM 0 HA LEU A 58 -4.112 4.502 2.518 1.00 43.30 H new ATOM 0 HB2 LEU A 58 -6.525 4.143 4.345 1.00 51.33 H new ATOM 0 HB3 LEU A 58 -6.591 4.811 2.726 1.00 51.33 H new ATOM 0 HG LEU A 58 -5.794 1.981 3.470 1.00 40.11 H new ATOM 0 HD11 LEU A 58 -7.858 1.349 2.271 1.00 63.34 H new ATOM 0 HD12 LEU A 58 -8.197 2.396 3.670 1.00 63.34 H new ATOM 0 HD13 LEU A 58 -8.233 3.071 2.024 1.00 63.34 H new ATOM 0 HD21 LEU A 58 -5.729 1.553 1.039 1.00 45.10 H new ATOM 0 HD22 LEU A 58 -6.003 3.285 0.734 1.00 45.10 H new ATOM 0 HD23 LEU A 58 -4.508 2.748 1.535 1.00 45.10 H new ATOM 852 N ARG A 59 -4.559 6.201 5.285 1.00 72.01 N ATOM 853 CA ARG A 59 -4.426 7.525 5.897 1.00 3.54 C ATOM 854 C ARG A 59 -3.225 8.277 5.309 1.00 55.20 C ATOM 855 O ARG A 59 -3.353 9.399 4.820 1.00 54.25 O ATOM 856 CB ARG A 59 -4.227 7.368 7.413 1.00 62.43 C ATOM 857 CG ARG A 59 -4.074 8.686 8.176 1.00 12.51 C ATOM 858 CD ARG A 59 -3.148 8.532 9.381 1.00 33.55 C ATOM 859 NE ARG A 59 -1.754 8.348 8.965 1.00 73.04 N ATOM 860 CZ ARG A 59 -1.028 7.294 9.238 1.00 22.32 C ATOM 861 NH1 ARG A 59 -1.507 6.333 9.956 1.00 61.44 N ATOM 862 NH2 ARG A 59 0.184 7.213 8.790 1.00 41.33 N ATOM 0 H ARG A 59 -4.641 5.440 5.959 1.00 72.01 H new ATOM 0 HA ARG A 59 -5.333 8.094 5.693 1.00 3.54 H new ATOM 0 HB2 ARG A 59 -5.077 6.823 7.823 1.00 62.43 H new ATOM 0 HB3 ARG A 59 -3.342 6.757 7.589 1.00 62.43 H new ATOM 0 HG2 ARG A 59 -3.678 9.451 7.507 1.00 12.51 H new ATOM 0 HG3 ARG A 59 -5.053 9.030 8.510 1.00 12.51 H new ATOM 0 HD2 ARG A 59 -3.226 9.414 10.017 1.00 33.55 H new ATOM 0 HD3 ARG A 59 -3.466 7.678 9.980 1.00 33.55 H new ATOM 0 HE ARG A 59 -1.319 9.095 8.424 1.00 73.04 H new ATOM 0 HH11 ARG A 59 -2.460 6.391 10.316 1.00 61.44 H new ATOM 0 HH12 ARG A 59 -0.933 5.516 10.163 1.00 61.44 H new ATOM 0 HH21 ARG A 59 0.571 7.970 8.226 1.00 41.33 H new ATOM 0 HH22 ARG A 59 0.752 6.393 9.001 1.00 41.33 H new ATOM 876 N ASP A 60 -2.061 7.635 5.354 1.00 70.35 N ATOM 877 CA ASP A 60 -0.820 8.253 4.890 1.00 43.11 C ATOM 878 C ASP A 60 -0.786 8.346 3.350 1.00 11.11 C ATOM 879 O ASP A 60 -0.343 9.349 2.789 1.00 4.23 O ATOM 880 CB ASP A 60 0.386 7.464 5.415 1.00 62.50 C ATOM 881 CG ASP A 60 1.561 8.369 5.735 1.00 12.42 C ATOM 882 OD1 ASP A 60 2.359 8.673 4.828 1.00 44.31 O ATOM 883 OD2 ASP A 60 1.665 8.809 6.903 1.00 45.15 O ATOM 0 H ASP A 60 -1.950 6.685 5.708 1.00 70.35 H new ATOM 0 HA ASP A 60 -0.773 9.269 5.282 1.00 43.11 H new ATOM 0 HB2 ASP A 60 0.097 6.914 6.311 1.00 62.50 H new ATOM 0 HB3 ASP A 60 0.688 6.726 4.672 1.00 62.50 H new ATOM 888 N LEU A 61 -1.280 7.302 2.681 1.00 42.41 N ATOM 889 CA LEU A 61 -1.314 7.259 1.210 1.00 72.20 C ATOM 890 C LEU A 61 -2.094 8.447 0.621 1.00 52.21 C ATOM 891 O LEU A 61 -1.598 9.150 -0.261 1.00 22.11 O ATOM 892 CB LEU A 61 -1.925 5.933 0.730 1.00 22.14 C ATOM 893 CG LEU A 61 -1.192 4.661 1.187 1.00 31.44 C ATOM 894 CD1 LEU A 61 -1.845 3.414 0.597 1.00 4.31 C ATOM 895 CD2 LEU A 61 0.284 4.725 0.815 1.00 55.02 C ATOM 0 H LEU A 61 -1.664 6.471 3.132 1.00 42.41 H new ATOM 0 HA LEU A 61 -0.286 7.331 0.855 1.00 72.20 H new ATOM 0 HB2 LEU A 61 -2.957 5.882 1.078 1.00 22.14 H new ATOM 0 HB3 LEU A 61 -1.957 5.941 -0.360 1.00 22.14 H new ATOM 0 HG LEU A 61 -1.267 4.600 2.273 1.00 31.44 H new ATOM 0 HD11 LEU A 61 -1.308 2.528 0.935 1.00 4.31 H new ATOM 0 HD12 LEU A 61 -2.883 3.357 0.925 1.00 4.31 H new ATOM 0 HD13 LEU A 61 -1.811 3.466 -0.491 1.00 4.31 H new ATOM 0 HD21 LEU A 61 0.783 3.815 1.148 1.00 55.02 H new ATOM 0 HD22 LEU A 61 0.383 4.818 -0.266 1.00 55.02 H new ATOM 0 HD23 LEU A 61 0.744 5.588 1.297 1.00 55.02 H new ATOM 907 N ASN A 62 -3.315 8.677 1.108 1.00 33.12 N ATOM 908 CA ASN A 62 -4.100 9.839 0.669 1.00 64.44 C ATOM 909 C ASN A 62 -3.488 11.143 1.208 1.00 53.14 C ATOM 910 O ASN A 62 -3.600 12.203 0.585 1.00 32.43 O ATOM 911 CB ASN A 62 -5.569 9.706 1.102 1.00 62.33 C ATOM 912 CG ASN A 62 -6.281 8.562 0.394 1.00 72.43 C ATOM 913 OD1 ASN A 62 -6.823 8.726 -0.696 1.00 74.41 O ATOM 914 ND2 ASN A 62 -6.291 7.398 1.007 1.00 11.44 N ATOM 0 H ASN A 62 -3.779 8.085 1.797 1.00 33.12 H new ATOM 0 HA ASN A 62 -4.073 9.873 -0.420 1.00 64.44 H new ATOM 0 HB2 ASN A 62 -5.614 9.547 2.179 1.00 62.33 H new ATOM 0 HB3 ASN A 62 -6.092 10.640 0.895 1.00 62.33 H new ATOM 0 HD21 ASN A 62 -6.758 6.599 0.577 1.00 11.44 H new ATOM 0 HD22 ASN A 62 -5.832 7.294 1.912 1.00 11.44 H new ATOM 921 N ALA A 63 -2.816 11.055 2.357 1.00 62.44 N ATOM 922 CA ALA A 63 -2.108 12.206 2.931 1.00 73.23 C ATOM 923 C ALA A 63 -0.929 12.651 2.048 1.00 24.31 C ATOM 924 O ALA A 63 -0.408 13.748 2.209 1.00 51.11 O ATOM 925 CB ALA A 63 -1.627 11.891 4.342 1.00 35.41 C ATOM 0 H ALA A 63 -2.746 10.201 2.910 1.00 62.44 H new ATOM 0 HA ALA A 63 -2.816 13.034 2.977 1.00 73.23 H new ATOM 0 HB1 ALA A 63 -1.105 12.756 4.750 1.00 35.41 H new ATOM 0 HB2 ALA A 63 -2.483 11.653 4.973 1.00 35.41 H new ATOM 0 HB3 ALA A 63 -0.949 11.038 4.313 1.00 35.41 H new ATOM 931 N LEU A 64 -0.499 11.791 1.130 1.00 65.43 N ATOM 932 CA LEU A 64 0.505 12.175 0.126 1.00 41.42 C ATOM 933 C LEU A 64 -0.088 13.179 -0.882 1.00 45.21 C ATOM 934 O LEU A 64 0.621 14.021 -1.437 1.00 25.11 O ATOM 935 CB LEU A 64 1.021 10.935 -0.619 1.00 41.11 C ATOM 936 CG LEU A 64 1.705 9.872 0.258 1.00 33.53 C ATOM 937 CD1 LEU A 64 2.095 8.655 -0.577 1.00 1.22 C ATOM 938 CD2 LEU A 64 2.925 10.454 0.974 1.00 74.21 C ATOM 0 H LEU A 64 -0.824 10.827 1.055 1.00 65.43 H new ATOM 0 HA LEU A 64 1.337 12.650 0.646 1.00 41.42 H new ATOM 0 HB2 LEU A 64 0.183 10.469 -1.137 1.00 41.11 H new ATOM 0 HB3 LEU A 64 1.727 11.260 -1.383 1.00 41.11 H new ATOM 0 HG LEU A 64 0.993 9.551 1.018 1.00 33.53 H new ATOM 0 HD11 LEU A 64 2.577 7.915 0.062 1.00 1.22 H new ATOM 0 HD12 LEU A 64 1.202 8.220 -1.026 1.00 1.22 H new ATOM 0 HD13 LEU A 64 2.785 8.960 -1.364 1.00 1.22 H new ATOM 0 HD21 LEU A 64 3.390 9.682 1.587 1.00 74.21 H new ATOM 0 HD22 LEU A 64 3.643 10.813 0.236 1.00 74.21 H new ATOM 0 HD23 LEU A 64 2.613 11.283 1.609 1.00 74.21 H new ATOM 950 N ALA A 65 -1.399 13.079 -1.106 1.00 25.40 N ATOM 951 CA ALA A 65 -2.103 13.953 -2.053 1.00 34.11 C ATOM 952 C ALA A 65 -2.674 15.206 -1.363 1.00 54.43 C ATOM 953 O ALA A 65 -2.749 16.280 -1.963 1.00 12.15 O ATOM 954 CB ALA A 65 -3.219 13.175 -2.743 1.00 14.33 C ATOM 0 H ALA A 65 -2.000 12.398 -0.643 1.00 25.40 H new ATOM 0 HA ALA A 65 -1.381 14.291 -2.796 1.00 34.11 H new ATOM 0 HB1 ALA A 65 -3.738 13.828 -3.444 1.00 14.33 H new ATOM 0 HB2 ALA A 65 -2.793 12.329 -3.282 1.00 14.33 H new ATOM 0 HB3 ALA A 65 -3.925 12.811 -1.996 1.00 14.33 H new