USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 4 LYS NZ :NH3+ -175:sc= 0.636 (180deg=-0.00247) USER MOD Set 1.2: A 44 THR OG1 : rot -31:sc= 0.823 USER MOD Set 1.3: A 74 GLN : amide:sc= -1.11 K(o=0.34,f=-7.2!) USER MOD Set 2.1: A 37 ASN : amide:sc= 1.01 K(o=1.9,f=0.4) USER MOD Set 2.2: A 42 THR OG1 : rot -140:sc= 0.852 USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.0202 (180deg=-0.418) USER MOD Single : A 2 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 162:sc= 0.233 USER MOD Single : A 19 ASN : amide:sc= 0.537 K(o=0.54,f=-0.055) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.15 K(o=1.1,f=-0.0039) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.925 K(o=0.93,f=-4.4) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0596 USER MOD Single : A 48 ASN : amide:sc= -1.39 K(o=-1.4,f=-5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.189 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0.867 (180deg=0.161) USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= 0.079 (180deg=-0.0576) USER MOD Single : A 66 TYR OH : rot 0:sc= -0.787 USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 0.957 (180deg=-0.567!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= 0.883 (180deg=-2.57!) USER MOD Single : A 76 SER OG : rot -70:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.519 13.013 9.442 1.00 10.00 N ATOM 2 CA VAL A 1 -9.198 11.745 10.116 1.00 10.00 C ATOM 3 C VAL A 1 -8.090 11.064 9.317 1.00 10.00 C ATOM 4 O VAL A 1 -6.919 11.260 9.624 1.00 10.00 O ATOM 5 CB VAL A 1 -10.454 10.867 10.307 1.00 10.00 C ATOM 6 CG1 VAL A 1 -10.110 9.526 10.965 1.00 10.00 C ATOM 7 CG2 VAL A 1 -11.487 11.579 11.186 1.00 10.00 C ATOM 0 H1 VAL A 1 -10.017 13.642 10.104 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.640 13.470 9.125 1.00 10.00 H new ATOM 0 H3 VAL A 1 -10.127 12.825 8.620 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.837 11.926 11.129 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.865 10.688 9.313 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -11.018 8.935 11.083 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -9.403 8.983 10.337 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -9.663 9.705 11.943 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -12.363 10.942 11.307 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -11.052 11.786 12.164 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -11.782 12.516 10.714 1.00 10.00 H new ATOM 19 N THR A 2 -8.466 10.340 8.267 1.00 10.00 N ATOM 20 CA THR A 2 -7.581 9.649 7.343 1.00 10.00 C ATOM 21 C THR A 2 -7.871 10.139 5.919 1.00 10.00 C ATOM 22 O THR A 2 -8.835 10.877 5.707 1.00 10.00 O ATOM 23 CB THR A 2 -7.813 8.142 7.532 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.196 7.896 7.727 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.058 7.664 8.781 1.00 10.00 C ATOM 0 H THR A 2 -9.450 10.215 8.028 1.00 10.00 H new ATOM 0 HA THR A 2 -6.528 9.856 7.532 1.00 10.00 H new ATOM 0 HB THR A 2 -7.458 7.612 6.648 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.613 7.672 6.869 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.221 6.595 8.918 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.992 7.856 8.658 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.424 8.202 9.656 1.00 10.00 H new ATOM 33 N GLU A 3 -7.002 9.772 4.974 1.00 10.00 N ATOM 34 CA GLU A 3 -6.922 10.300 3.621 1.00 10.00 C ATOM 35 C GLU A 3 -6.693 9.123 2.673 1.00 10.00 C ATOM 36 O GLU A 3 -5.935 8.214 3.010 1.00 10.00 O ATOM 37 CB GLU A 3 -5.731 11.275 3.570 1.00 10.00 C ATOM 38 CG GLU A 3 -6.157 12.701 3.221 1.00 10.00 C ATOM 39 CD GLU A 3 -5.096 13.696 3.676 1.00 10.00 C ATOM 40 OE1 GLU A 3 -5.020 13.908 4.907 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.361 14.198 2.802 1.00 10.00 O ATOM 0 H GLU A 3 -6.297 9.056 5.149 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.832 10.824 3.331 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.225 11.276 4.535 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -5.009 10.924 2.832 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.311 12.789 2.145 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -7.109 12.931 3.699 1.00 10.00 H new ATOM 48 N LYS A 4 -7.337 9.135 1.502 1.00 10.00 N ATOM 49 CA LYS A 4 -7.185 8.094 0.500 1.00 10.00 C ATOM 50 C LYS A 4 -5.933 8.362 -0.322 1.00 10.00 C ATOM 51 O LYS A 4 -5.769 9.448 -0.870 1.00 10.00 O ATOM 52 CB LYS A 4 -8.415 8.027 -0.425 1.00 10.00 C ATOM 53 CG LYS A 4 -9.511 7.066 0.061 1.00 10.00 C ATOM 54 CD LYS A 4 -9.006 5.610 0.080 1.00 10.00 C ATOM 55 CE LYS A 4 -10.127 4.568 0.223 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.954 4.430 -0.995 1.00 10.00 N ATOM 0 H LYS A 4 -7.982 9.876 1.228 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.094 7.135 1.010 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.839 9.026 -0.521 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.092 7.720 -1.420 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.834 7.355 1.061 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.382 7.143 -0.590 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.455 5.414 -0.840 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.303 5.490 0.904 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -9.686 3.601 0.466 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -10.768 4.846 1.060 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.742 3.777 -0.808 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -11.332 5.360 -1.265 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -10.371 4.055 -1.770 1.00 10.00 H new ATOM 70 N ALA A 5 -5.085 7.342 -0.429 1.00 10.00 N ATOM 71 CA ALA A 5 -3.865 7.336 -1.208 1.00 10.00 C ATOM 72 C ALA A 5 -3.850 6.095 -2.108 1.00 10.00 C ATOM 73 O ALA A 5 -4.208 5.004 -1.657 1.00 10.00 O ATOM 74 CB ALA A 5 -2.691 7.334 -0.232 1.00 10.00 C ATOM 0 H ALA A 5 -5.245 6.457 0.052 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.795 8.214 -1.850 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.754 7.329 -0.790 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.737 8.225 0.394 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.743 6.446 0.398 1.00 10.00 H new ATOM 80 N GLU A 6 -3.448 6.255 -3.373 1.00 10.00 N ATOM 81 CA GLU A 6 -3.324 5.165 -4.333 1.00 10.00 C ATOM 82 C GLU A 6 -1.887 5.018 -4.772 1.00 10.00 C ATOM 83 O GLU A 6 -1.183 6.018 -4.911 1.00 10.00 O ATOM 84 CB GLU A 6 -4.139 5.463 -5.581 1.00 10.00 C ATOM 85 CG GLU A 6 -5.544 4.915 -5.422 1.00 10.00 C ATOM 86 CD GLU A 6 -5.708 3.589 -6.152 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.324 2.562 -5.557 1.00 10.00 O ATOM 88 OE2 GLU A 6 -6.215 3.626 -7.292 1.00 10.00 O ATOM 0 H GLU A 6 -3.196 7.164 -3.761 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.679 4.256 -3.846 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.176 6.539 -5.754 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.661 5.016 -6.453 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.766 4.779 -4.363 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.264 5.637 -5.809 1.00 10.00 H new ATOM 95 N PHE A 7 -1.498 3.775 -5.047 1.00 10.00 N ATOM 96 CA PHE A 7 -0.125 3.394 -5.338 1.00 10.00 C ATOM 97 C PHE A 7 -0.065 2.338 -6.447 1.00 10.00 C ATOM 98 O PHE A 7 -0.847 1.384 -6.432 1.00 10.00 O ATOM 99 CB PHE A 7 0.573 2.880 -4.068 1.00 10.00 C ATOM 100 CG PHE A 7 0.313 3.625 -2.777 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.894 3.400 -2.102 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.306 4.419 -2.177 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.197 4.112 -0.936 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.028 5.079 -0.966 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.233 4.949 -0.361 1.00 10.00 C ATOM 0 H PHE A 7 -2.147 2.989 -5.073 1.00 10.00 H new ATOM 0 HA PHE A 7 0.401 4.281 -5.690 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.280 1.840 -3.921 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.648 2.886 -4.249 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.595 2.673 -2.484 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.275 4.522 -2.642 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.172 4.016 -0.481 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.788 5.688 -0.499 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.458 5.493 0.545 1.00 10.00 H new ATOM 115 N ASP A 8 0.878 2.497 -7.382 1.00 10.00 N ATOM 116 CA ASP A 8 1.057 1.663 -8.555 1.00 10.00 C ATOM 117 C ASP A 8 2.077 0.570 -8.230 1.00 10.00 C ATOM 118 O ASP A 8 3.108 0.865 -7.622 1.00 10.00 O ATOM 119 CB ASP A 8 1.576 2.566 -9.684 1.00 10.00 C ATOM 120 CG ASP A 8 0.486 3.273 -10.482 1.00 10.00 C ATOM 121 OD1 ASP A 8 -0.712 2.961 -10.303 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.818 4.145 -11.316 1.00 10.00 O ATOM 0 H ASP A 8 1.565 3.249 -7.330 1.00 10.00 H new ATOM 0 HA ASP A 8 0.124 1.188 -8.858 1.00 10.00 H new ATOM 0 HB2 ASP A 8 2.239 3.317 -9.255 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.175 1.964 -10.367 1.00 10.00 H new ATOM 127 N ILE A 9 1.772 -0.687 -8.581 1.00 10.00 N ATOM 128 CA ILE A 9 2.545 -1.857 -8.180 1.00 10.00 C ATOM 129 C ILE A 9 3.402 -2.358 -9.339 1.00 10.00 C ATOM 130 O ILE A 9 2.864 -2.864 -10.321 1.00 10.00 O ATOM 131 CB ILE A 9 1.588 -2.965 -7.688 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.425 -2.442 -6.835 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.360 -3.991 -6.859 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.897 -1.535 -5.705 1.00 10.00 C ATOM 0 H ILE A 9 0.966 -0.917 -9.162 1.00 10.00 H new ATOM 0 HA ILE A 9 3.214 -1.580 -7.365 1.00 10.00 H new ATOM 0 HB ILE A 9 1.165 -3.412 -8.588 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.271 -1.894 -7.471 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.123 -3.286 -6.416 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.678 -4.769 -6.516 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.143 -4.439 -7.471 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.811 -3.498 -5.998 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.037 -1.191 -5.131 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.571 -2.089 -5.052 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.421 -0.676 -6.123 1.00 10.00 H new ATOM 146 N GLU A 10 4.730 -2.271 -9.203 1.00 10.00 N ATOM 147 CA GLU A 10 5.663 -2.881 -10.138 1.00 10.00 C ATOM 148 C GLU A 10 6.228 -4.136 -9.482 1.00 10.00 C ATOM 149 O GLU A 10 7.159 -4.058 -8.673 1.00 10.00 O ATOM 150 CB GLU A 10 6.759 -1.874 -10.515 1.00 10.00 C ATOM 151 CG GLU A 10 6.286 -0.928 -11.631 1.00 10.00 C ATOM 152 CD GLU A 10 6.506 -1.512 -13.026 1.00 10.00 C ATOM 153 OE1 GLU A 10 6.410 -2.751 -13.155 1.00 10.00 O ATOM 154 OE2 GLU A 10 6.801 -0.703 -13.932 1.00 10.00 O ATOM 0 H GLU A 10 5.182 -1.773 -8.437 1.00 10.00 H new ATOM 0 HA GLU A 10 5.166 -3.164 -11.066 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.040 -1.293 -9.637 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.651 -2.409 -10.842 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.227 -0.711 -11.494 1.00 10.00 H new ATOM 0 HG3 GLU A 10 6.818 0.020 -11.549 1.00 10.00 H new ATOM 161 N GLY A 11 5.645 -5.291 -9.819 1.00 10.00 N ATOM 162 CA GLY A 11 6.142 -6.600 -9.432 1.00 10.00 C ATOM 163 C GLY A 11 5.002 -7.602 -9.275 1.00 10.00 C ATOM 164 O GLY A 11 4.502 -8.114 -10.272 1.00 10.00 O ATOM 0 H GLY A 11 4.795 -5.334 -10.382 1.00 10.00 H new ATOM 0 HA2 GLY A 11 6.845 -6.961 -10.183 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.691 -6.520 -8.494 1.00 10.00 H new ATOM 168 N MET A 12 4.610 -7.924 -8.037 1.00 10.00 N ATOM 169 CA MET A 12 3.651 -8.986 -7.778 1.00 10.00 C ATOM 170 C MET A 12 2.219 -8.508 -7.964 1.00 10.00 C ATOM 171 O MET A 12 1.778 -7.565 -7.309 1.00 10.00 O ATOM 172 CB MET A 12 3.862 -9.536 -6.370 1.00 10.00 C ATOM 173 CG MET A 12 4.858 -10.688 -6.429 1.00 10.00 C ATOM 174 SD MET A 12 4.129 -12.231 -7.050 1.00 10.00 S ATOM 175 CE MET A 12 5.579 -13.303 -7.053 1.00 10.00 C ATOM 0 H MET A 12 4.950 -7.455 -7.197 1.00 10.00 H new ATOM 0 HA MET A 12 3.818 -9.783 -8.503 1.00 10.00 H new ATOM 0 HB2 MET A 12 4.234 -8.751 -5.711 1.00 10.00 H new ATOM 0 HB3 MET A 12 2.915 -9.879 -5.954 1.00 10.00 H new ATOM 0 HG2 MET A 12 5.694 -10.405 -7.069 1.00 10.00 H new ATOM 0 HG3 MET A 12 5.264 -10.861 -5.432 1.00 10.00 H new ATOM 0 HE1 MET A 12 5.298 -14.294 -7.411 1.00 10.00 H new ATOM 0 HE2 MET A 12 6.341 -12.883 -7.709 1.00 10.00 H new ATOM 0 HE3 MET A 12 5.975 -13.382 -6.041 1.00 10.00 H new ATOM 185 N THR A 13 1.498 -9.203 -8.840 1.00 10.00 N ATOM 186 CA THR A 13 0.165 -8.857 -9.287 1.00 10.00 C ATOM 187 C THR A 13 -0.708 -10.114 -9.222 1.00 10.00 C ATOM 188 O THR A 13 -1.253 -10.560 -10.228 1.00 10.00 O ATOM 189 CB THR A 13 0.304 -8.282 -10.704 1.00 10.00 C ATOM 190 OG1 THR A 13 1.098 -9.126 -11.513 1.00 10.00 O ATOM 191 CG2 THR A 13 0.994 -6.911 -10.655 1.00 10.00 C ATOM 0 H THR A 13 1.848 -10.058 -9.272 1.00 10.00 H new ATOM 0 HA THR A 13 -0.318 -8.107 -8.661 1.00 10.00 H new ATOM 0 HB THR A 13 -0.700 -8.196 -11.121 1.00 10.00 H new ATOM 0 HG1 THR A 13 1.172 -8.742 -12.412 1.00 10.00 H new ATOM 0 HG21 THR A 13 1.087 -6.514 -11.666 1.00 10.00 H new ATOM 0 HG22 THR A 13 0.400 -6.226 -10.049 1.00 10.00 H new ATOM 0 HG23 THR A 13 1.985 -7.018 -10.215 1.00 10.00 H new ATOM 199 N CYS A 14 -0.825 -10.708 -8.028 1.00 10.00 N ATOM 200 CA CYS A 14 -1.551 -11.958 -7.833 1.00 10.00 C ATOM 201 C CYS A 14 -2.515 -11.728 -6.670 1.00 10.00 C ATOM 202 O CYS A 14 -3.184 -10.698 -6.635 1.00 10.00 O ATOM 203 CB CYS A 14 -0.570 -13.128 -7.616 1.00 10.00 C ATOM 204 SG CYS A 14 0.412 -13.443 -9.103 1.00 10.00 S ATOM 0 H CYS A 14 -0.417 -10.331 -7.173 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.127 -12.243 -8.713 1.00 10.00 H new ATOM 0 HB2 CYS A 14 0.093 -12.900 -6.781 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -1.125 -14.026 -7.347 1.00 10.00 H new ATOM 0 HG CYS A 14 1.227 -14.432 -8.883 1.00 10.00 H new ATOM 210 N ALA A 15 -2.574 -12.649 -5.703 1.00 10.00 N ATOM 211 CA ALA A 15 -3.530 -12.597 -4.609 1.00 10.00 C ATOM 212 C ALA A 15 -2.843 -12.800 -3.265 1.00 10.00 C ATOM 213 O ALA A 15 -3.056 -12.004 -2.358 1.00 10.00 O ATOM 214 CB ALA A 15 -4.640 -13.622 -4.846 1.00 10.00 C ATOM 0 H ALA A 15 -1.951 -13.456 -5.664 1.00 10.00 H new ATOM 0 HA ALA A 15 -3.982 -11.606 -4.579 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -5.355 -13.581 -4.024 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -5.150 -13.396 -5.782 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -4.207 -14.621 -4.900 1.00 10.00 H new ATOM 220 N ALA A 16 -2.003 -13.829 -3.117 1.00 10.00 N ATOM 221 CA ALA A 16 -1.397 -14.159 -1.836 1.00 10.00 C ATOM 222 C ALA A 16 -0.391 -13.073 -1.478 1.00 10.00 C ATOM 223 O ALA A 16 -0.365 -12.568 -0.357 1.00 10.00 O ATOM 224 CB ALA A 16 -0.729 -15.534 -1.921 1.00 10.00 C ATOM 0 H ALA A 16 -1.729 -14.449 -3.879 1.00 10.00 H new ATOM 0 HA ALA A 16 -2.156 -14.206 -1.055 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -0.276 -15.778 -0.960 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -1.476 -16.287 -2.172 1.00 10.00 H new ATOM 0 HB3 ALA A 16 0.042 -15.517 -2.692 1.00 10.00 H new ATOM 230 N CYS A 17 0.427 -12.697 -2.463 1.00 10.00 N ATOM 231 CA CYS A 17 1.396 -11.634 -2.291 1.00 10.00 C ATOM 232 C CYS A 17 0.672 -10.327 -1.973 1.00 10.00 C ATOM 233 O CYS A 17 0.928 -9.704 -0.943 1.00 10.00 O ATOM 234 CB CYS A 17 2.304 -11.512 -3.523 1.00 10.00 C ATOM 235 SG CYS A 17 3.660 -12.707 -3.408 1.00 10.00 S ATOM 0 H CYS A 17 0.431 -13.121 -3.391 1.00 10.00 H new ATOM 0 HA CYS A 17 2.047 -11.872 -1.450 1.00 10.00 H new ATOM 0 HB2 CYS A 17 1.727 -11.690 -4.430 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.704 -10.500 -3.593 1.00 10.00 H new ATOM 0 HG CYS A 17 4.187 -12.880 -4.584 1.00 10.00 H new ATOM 241 N ALA A 18 -0.283 -9.957 -2.832 1.00 10.00 N ATOM 242 CA ALA A 18 -1.141 -8.794 -2.641 1.00 10.00 C ATOM 243 C ALA A 18 -1.745 -8.778 -1.228 1.00 10.00 C ATOM 244 O ALA A 18 -1.705 -7.769 -0.533 1.00 10.00 O ATOM 245 CB ALA A 18 -2.223 -8.779 -3.720 1.00 10.00 C ATOM 0 H ALA A 18 -0.481 -10.469 -3.692 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.543 -7.887 -2.737 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -2.866 -7.910 -3.579 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -1.756 -8.729 -4.703 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -2.821 -9.688 -3.649 1.00 10.00 H new ATOM 251 N ASN A 19 -2.263 -9.916 -0.775 1.00 10.00 N ATOM 252 CA ASN A 19 -2.862 -10.038 0.560 1.00 10.00 C ATOM 253 C ASN A 19 -1.870 -9.692 1.677 1.00 10.00 C ATOM 254 O ASN A 19 -2.262 -9.232 2.748 1.00 10.00 O ATOM 255 CB ASN A 19 -3.444 -11.442 0.800 1.00 10.00 C ATOM 256 CG ASN A 19 -4.916 -11.553 0.410 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.756 -11.904 1.231 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.232 -11.314 -0.858 1.00 10.00 N ATOM 0 H ASN A 19 -2.282 -10.780 -1.317 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.675 -9.313 0.590 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.867 -12.171 0.230 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.332 -11.700 1.853 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.196 -11.421 -1.172 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.510 -11.023 -1.517 1.00 10.00 H new ATOM 265 N ARG A 20 -0.572 -9.922 1.467 1.00 10.00 N ATOM 266 CA ARG A 20 0.441 -9.609 2.454 1.00 10.00 C ATOM 267 C ARG A 20 0.460 -8.094 2.655 1.00 10.00 C ATOM 268 O ARG A 20 0.486 -7.619 3.794 1.00 10.00 O ATOM 269 CB ARG A 20 1.800 -10.152 1.984 1.00 10.00 C ATOM 270 CG ARG A 20 2.667 -10.732 3.111 1.00 10.00 C ATOM 271 CD ARG A 20 2.222 -12.146 3.528 1.00 10.00 C ATOM 272 NE ARG A 20 1.199 -12.137 4.587 1.00 10.00 N ATOM 273 CZ ARG A 20 0.591 -13.236 5.071 1.00 10.00 C ATOM 274 NH1 ARG A 20 0.811 -14.427 4.503 1.00 10.00 N ATOM 275 NH2 ARG A 20 -0.224 -13.141 6.128 1.00 10.00 N ATOM 0 H ARG A 20 -0.203 -10.330 0.608 1.00 10.00 H new ATOM 0 HA ARG A 20 0.220 -10.081 3.411 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.631 -10.926 1.235 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.350 -9.349 1.494 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.707 -10.763 2.786 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.623 -10.071 3.976 1.00 10.00 H new ATOM 0 HD2 ARG A 20 1.830 -12.670 2.656 1.00 10.00 H new ATOM 0 HD3 ARG A 20 3.090 -12.707 3.874 1.00 10.00 H new ATOM 0 HE ARG A 20 0.932 -11.235 4.981 1.00 10.00 H new ATOM 0 HH11 ARG A 20 1.439 -14.502 3.703 1.00 10.00 H new ATOM 0 HH12 ARG A 20 0.350 -15.260 4.870 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -0.385 -12.235 6.568 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -0.684 -13.975 6.494 1.00 10.00 H new ATOM 289 N ILE A 21 0.429 -7.354 1.538 1.00 10.00 N ATOM 290 CA ILE A 21 0.395 -5.900 1.518 1.00 10.00 C ATOM 291 C ILE A 21 -0.601 -5.348 2.529 1.00 10.00 C ATOM 292 O ILE A 21 -0.249 -4.454 3.292 1.00 10.00 O ATOM 293 CB ILE A 21 0.086 -5.366 0.109 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.950 -5.996 -0.983 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.273 -3.854 0.067 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.423 -6.100 -0.574 1.00 10.00 C ATOM 0 H ILE A 21 0.427 -7.768 0.606 1.00 10.00 H new ATOM 0 HA ILE A 21 1.388 -5.554 1.803 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.950 -5.637 -0.094 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.569 -6.990 -1.216 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.870 -5.403 -1.894 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.051 -3.488 -0.935 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.402 -3.384 0.783 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.303 -3.608 0.324 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.994 -6.554 -1.384 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.815 -5.104 -0.368 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.509 -6.716 0.321 1.00 10.00 H new ATOM 308 N GLU A 22 -1.820 -5.890 2.556 1.00 10.00 N ATOM 309 CA GLU A 22 -2.857 -5.452 3.476 1.00 10.00 C ATOM 310 C GLU A 22 -2.314 -5.357 4.905 1.00 10.00 C ATOM 311 O GLU A 22 -2.462 -4.328 5.566 1.00 10.00 O ATOM 312 CB GLU A 22 -4.059 -6.402 3.403 1.00 10.00 C ATOM 313 CG GLU A 22 -4.630 -6.503 1.984 1.00 10.00 C ATOM 314 CD GLU A 22 -5.907 -7.329 1.975 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.939 -6.771 2.405 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.817 -8.503 1.561 1.00 10.00 O ATOM 0 H GLU A 22 -2.111 -6.646 1.937 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.187 -4.455 3.183 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.758 -7.393 3.743 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.837 -6.054 4.082 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.834 -5.505 1.597 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.893 -6.957 1.322 1.00 10.00 H new ATOM 323 N LYS A 23 -1.656 -6.416 5.389 1.00 10.00 N ATOM 324 CA LYS A 23 -1.103 -6.460 6.723 1.00 10.00 C ATOM 325 C LYS A 23 0.133 -5.573 6.830 1.00 10.00 C ATOM 326 O LYS A 23 0.266 -4.825 7.797 1.00 10.00 O ATOM 327 CB LYS A 23 -0.819 -7.910 7.139 1.00 10.00 C ATOM 328 CG LYS A 23 -2.019 -8.560 7.849 1.00 10.00 C ATOM 329 CD LYS A 23 -2.087 -8.304 9.369 1.00 10.00 C ATOM 330 CE LYS A 23 -2.341 -6.833 9.749 1.00 10.00 C ATOM 331 NZ LYS A 23 -2.637 -6.649 11.187 1.00 10.00 N ATOM 0 H LYS A 23 -1.497 -7.268 4.851 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.838 -6.061 7.422 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.562 -8.495 6.256 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.047 -7.933 7.800 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -2.937 -8.192 7.391 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.986 -9.636 7.677 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.879 -8.920 9.795 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -1.151 -8.629 9.823 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.466 -6.239 9.485 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.175 -6.450 9.160 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.799 -5.640 11.382 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.488 -7.191 11.438 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.832 -6.986 11.753 1.00 10.00 H new ATOM 345 N ARG A 24 1.046 -5.668 5.856 1.00 10.00 N ATOM 346 CA ARG A 24 2.217 -4.795 5.809 1.00 10.00 C ATOM 347 C ARG A 24 1.844 -3.319 5.986 1.00 10.00 C ATOM 348 O ARG A 24 2.529 -2.599 6.704 1.00 10.00 O ATOM 349 CB ARG A 24 2.971 -4.980 4.491 1.00 10.00 C ATOM 350 CG ARG A 24 3.611 -6.355 4.263 1.00 10.00 C ATOM 351 CD ARG A 24 4.620 -6.775 5.339 1.00 10.00 C ATOM 352 NE ARG A 24 3.954 -7.349 6.519 1.00 10.00 N ATOM 353 CZ ARG A 24 4.568 -8.070 7.472 1.00 10.00 C ATOM 354 NH1 ARG A 24 5.887 -8.283 7.404 1.00 10.00 N ATOM 355 NH2 ARG A 24 3.861 -8.576 8.490 1.00 10.00 N ATOM 0 H ARG A 24 0.993 -6.341 5.092 1.00 10.00 H new ATOM 0 HA ARG A 24 2.860 -5.080 6.641 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.280 -4.784 3.671 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.755 -4.224 4.436 1.00 10.00 H new ATOM 0 HG2 ARG A 24 2.821 -7.105 4.211 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.112 -6.352 3.295 1.00 10.00 H new ATOM 0 HD2 ARG A 24 5.313 -7.505 4.922 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.211 -5.910 5.640 1.00 10.00 H new ATOM 0 HE ARG A 24 2.952 -7.188 6.621 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.426 -7.898 6.629 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.353 -8.830 8.128 1.00 10.00 H new ATOM 0 HH21 ARG A 24 2.855 -8.414 8.543 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.328 -9.123 9.213 1.00 10.00 H new ATOM 369 N LEU A 25 0.770 -2.874 5.335 1.00 10.00 N ATOM 370 CA LEU A 25 0.284 -1.507 5.430 1.00 10.00 C ATOM 371 C LEU A 25 -0.512 -1.296 6.716 1.00 10.00 C ATOM 372 O LEU A 25 -0.305 -0.297 7.393 1.00 10.00 O ATOM 373 CB LEU A 25 -0.518 -1.159 4.175 1.00 10.00 C ATOM 374 CG LEU A 25 0.388 -0.484 3.126 1.00 10.00 C ATOM 375 CD1 LEU A 25 0.042 -0.954 1.723 1.00 10.00 C ATOM 376 CD2 LEU A 25 0.183 1.022 3.190 1.00 10.00 C ATOM 0 H LEU A 25 0.209 -3.464 4.720 1.00 10.00 H new ATOM 0 HA LEU A 25 1.131 -0.823 5.482 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.959 -2.063 3.756 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.341 -0.494 4.435 1.00 10.00 H new ATOM 0 HG LEU A 25 1.423 -0.748 3.345 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.696 -0.462 1.003 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.177 -2.034 1.657 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.995 -0.704 1.501 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.820 1.508 2.451 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -0.860 1.256 2.979 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.442 1.382 4.185 1.00 10.00 H new ATOM 388 N ASN A 26 -1.376 -2.234 7.114 1.00 10.00 N ATOM 389 CA ASN A 26 -2.043 -2.140 8.417 1.00 10.00 C ATOM 390 C ASN A 26 -1.042 -2.000 9.573 1.00 10.00 C ATOM 391 O ASN A 26 -1.432 -1.610 10.668 1.00 10.00 O ATOM 392 CB ASN A 26 -2.986 -3.322 8.675 1.00 10.00 C ATOM 393 CG ASN A 26 -4.406 -3.067 8.178 1.00 10.00 C ATOM 394 OD1 ASN A 26 -5.302 -2.792 8.966 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.638 -3.195 6.878 1.00 10.00 N ATOM 0 H ASN A 26 -1.628 -3.055 6.563 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.644 -1.232 8.377 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.589 -4.211 8.185 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -3.013 -3.533 9.744 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.581 -3.064 6.513 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.873 -3.425 6.244 1.00 10.00 H new ATOM 402 N LYS A 27 0.230 -2.349 9.360 1.00 10.00 N ATOM 403 CA LYS A 27 1.298 -2.086 10.310 1.00 10.00 C ATOM 404 C LYS A 27 1.502 -0.598 10.633 1.00 10.00 C ATOM 405 O LYS A 27 1.996 -0.296 11.715 1.00 10.00 O ATOM 406 CB LYS A 27 2.582 -2.677 9.723 1.00 10.00 C ATOM 407 CG LYS A 27 3.580 -3.178 10.769 1.00 10.00 C ATOM 408 CD LYS A 27 4.979 -2.598 10.525 1.00 10.00 C ATOM 409 CE LYS A 27 5.523 -2.955 9.130 1.00 10.00 C ATOM 410 NZ LYS A 27 6.809 -2.271 8.859 1.00 10.00 N ATOM 0 H LYS A 27 0.543 -2.826 8.514 1.00 10.00 H new ATOM 0 HA LYS A 27 1.026 -2.547 11.260 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.319 -3.504 9.063 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.068 -1.920 9.107 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.237 -2.899 11.765 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.625 -4.267 10.740 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.945 -1.514 10.633 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.663 -2.972 11.286 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.661 -4.034 9.057 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.793 -2.675 8.371 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.148 -2.533 7.911 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.671 -1.241 8.905 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.512 -2.558 9.570 1.00 10.00 H new ATOM 424 N ILE A 28 1.199 0.322 9.711 1.00 10.00 N ATOM 425 CA ILE A 28 1.231 1.752 10.001 1.00 10.00 C ATOM 426 C ILE A 28 0.227 2.036 11.122 1.00 10.00 C ATOM 427 O ILE A 28 -0.876 1.494 11.110 1.00 10.00 O ATOM 428 CB ILE A 28 0.876 2.510 8.713 1.00 10.00 C ATOM 429 CG1 ILE A 28 1.977 2.331 7.646 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.580 3.995 8.927 1.00 10.00 C ATOM 431 CD1 ILE A 28 1.328 2.269 6.282 1.00 10.00 C ATOM 0 H ILE A 28 0.928 0.096 8.754 1.00 10.00 H new ATOM 0 HA ILE A 28 2.217 2.078 10.332 1.00 10.00 H new ATOM 0 HB ILE A 28 -0.052 2.063 8.358 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.684 3.160 7.690 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.543 1.419 7.837 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.338 4.459 7.971 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -0.265 4.103 9.607 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.456 4.482 9.356 1.00 10.00 H new ATOM 0 HD11 ILE A 28 2.096 2.143 5.519 1.00 10.00 H new ATOM 0 HD12 ILE A 28 0.638 1.426 6.245 1.00 10.00 H new ATOM 0 HD13 ILE A 28 0.781 3.194 6.097 1.00 10.00 H new ATOM 443 N GLU A 29 0.591 2.887 12.080 1.00 10.00 N ATOM 444 CA GLU A 29 -0.287 3.245 13.181 1.00 10.00 C ATOM 445 C GLU A 29 -1.410 4.158 12.667 1.00 10.00 C ATOM 446 O GLU A 29 -2.586 3.900 12.921 1.00 10.00 O ATOM 447 CB GLU A 29 0.519 3.877 14.333 1.00 10.00 C ATOM 448 CG GLU A 29 0.389 3.101 15.650 1.00 10.00 C ATOM 449 CD GLU A 29 1.097 1.751 15.620 1.00 10.00 C ATOM 450 OE1 GLU A 29 2.346 1.766 15.621 1.00 10.00 O ATOM 451 OE2 GLU A 29 0.375 0.731 15.635 1.00 10.00 O ATOM 0 H GLU A 29 1.502 3.344 12.110 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.755 2.349 13.589 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.570 3.927 14.049 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.181 4.902 14.486 1.00 10.00 H new ATOM 0 HG2 GLU A 29 0.800 3.702 16.461 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -0.667 2.946 15.871 1.00 10.00 H new ATOM 458 N GLY A 30 -1.088 5.220 11.919 1.00 10.00 N ATOM 459 CA GLY A 30 -2.066 6.201 11.473 1.00 10.00 C ATOM 460 C GLY A 30 -2.849 5.725 10.253 1.00 10.00 C ATOM 461 O GLY A 30 -3.069 6.495 9.322 1.00 10.00 O ATOM 0 H GLY A 30 -0.137 5.418 11.609 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.760 6.415 12.286 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.557 7.135 11.234 1.00 10.00 H new ATOM 465 N VAL A 31 -3.259 4.459 10.239 1.00 10.00 N ATOM 466 CA VAL A 31 -3.902 3.804 9.121 1.00 10.00 C ATOM 467 C VAL A 31 -5.409 3.719 9.371 1.00 10.00 C ATOM 468 O VAL A 31 -5.848 3.694 10.520 1.00 10.00 O ATOM 469 CB VAL A 31 -3.234 2.433 8.936 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.771 1.364 9.895 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.315 1.976 7.484 1.00 10.00 C ATOM 0 H VAL A 31 -3.144 3.843 11.044 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.782 4.366 8.195 1.00 10.00 H new ATOM 0 HB VAL A 31 -2.183 2.564 9.195 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -3.258 0.420 9.712 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.597 1.678 10.924 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.841 1.233 9.732 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.835 1.003 7.381 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.360 1.898 7.185 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.808 2.700 6.846 1.00 10.00 H new ATOM 481 N ALA A 32 -6.196 3.671 8.295 1.00 10.00 N ATOM 482 CA ALA A 32 -7.632 3.414 8.348 1.00 10.00 C ATOM 483 C ALA A 32 -7.917 2.051 7.729 1.00 10.00 C ATOM 484 O ALA A 32 -8.560 1.209 8.352 1.00 10.00 O ATOM 485 CB ALA A 32 -8.417 4.523 7.633 1.00 10.00 C ATOM 0 H ALA A 32 -5.845 3.812 7.348 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.959 3.410 9.388 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.484 4.307 7.687 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.216 5.480 8.115 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.109 4.571 6.588 1.00 10.00 H new ATOM 491 N ASN A 33 -7.467 1.835 6.490 1.00 10.00 N ATOM 492 CA ASN A 33 -7.794 0.634 5.733 1.00 10.00 C ATOM 493 C ASN A 33 -6.802 0.495 4.582 1.00 10.00 C ATOM 494 O ASN A 33 -6.256 1.496 4.130 1.00 10.00 O ATOM 495 CB ASN A 33 -9.260 0.706 5.264 1.00 10.00 C ATOM 496 CG ASN A 33 -9.559 1.862 4.341 1.00 10.00 C ATOM 497 OD1 ASN A 33 -9.014 1.973 3.247 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.485 2.691 4.775 1.00 10.00 N ATOM 0 H ASN A 33 -6.867 2.490 5.988 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.706 -0.260 6.351 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.513 -0.225 4.756 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.906 0.778 6.139 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -10.783 3.473 4.192 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.905 2.551 5.694 1.00 10.00 H new ATOM 505 N ALA A 34 -6.534 -0.736 4.137 1.00 10.00 N ATOM 506 CA ALA A 34 -5.609 -1.037 3.046 1.00 10.00 C ATOM 507 C ALA A 34 -6.196 -2.045 2.043 1.00 10.00 C ATOM 508 O ALA A 34 -5.579 -3.080 1.802 1.00 10.00 O ATOM 509 CB ALA A 34 -4.297 -1.549 3.653 1.00 10.00 C ATOM 0 H ALA A 34 -6.966 -1.569 4.536 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.424 -0.126 2.476 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.592 -1.780 2.854 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.873 -0.782 4.301 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.493 -2.449 4.235 1.00 10.00 H new ATOM 515 N PRO A 35 -7.371 -1.782 1.446 1.00 10.00 N ATOM 516 CA PRO A 35 -8.017 -2.710 0.530 1.00 10.00 C ATOM 517 C PRO A 35 -7.305 -2.709 -0.829 1.00 10.00 C ATOM 518 O PRO A 35 -7.766 -2.071 -1.773 1.00 10.00 O ATOM 519 CB PRO A 35 -9.464 -2.209 0.431 1.00 10.00 C ATOM 520 CG PRO A 35 -9.315 -0.696 0.606 1.00 10.00 C ATOM 521 CD PRO A 35 -8.194 -0.599 1.639 1.00 10.00 C ATOM 0 HA PRO A 35 -7.980 -3.744 0.874 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.914 -2.462 -0.529 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.096 -2.645 1.205 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.051 -0.202 -0.329 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.237 -0.235 0.961 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.610 0.310 1.497 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.597 -0.565 2.651 1.00 10.00 H new ATOM 529 N VAL A 36 -6.172 -3.406 -0.942 1.00 10.00 N ATOM 530 CA VAL A 36 -5.414 -3.442 -2.182 1.00 10.00 C ATOM 531 C VAL A 36 -6.170 -4.180 -3.289 1.00 10.00 C ATOM 532 O VAL A 36 -6.935 -5.105 -3.016 1.00 10.00 O ATOM 533 CB VAL A 36 -4.026 -4.044 -1.932 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.430 -3.505 -0.625 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.039 -5.573 -1.893 1.00 10.00 C ATOM 0 H VAL A 36 -5.763 -3.953 -0.184 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.281 -2.419 -2.534 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.406 -3.742 -2.776 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.445 -3.944 -0.466 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.338 -2.421 -0.687 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.083 -3.767 0.208 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.029 -5.941 -1.713 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.696 -5.911 -1.092 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.401 -5.958 -2.846 1.00 10.00 H new ATOM 545 N ASN A 37 -5.924 -3.808 -4.549 1.00 10.00 N ATOM 546 CA ASN A 37 -6.662 -4.385 -5.667 1.00 10.00 C ATOM 547 C ASN A 37 -5.879 -5.551 -6.272 1.00 10.00 C ATOM 548 O ASN A 37 -5.120 -5.371 -7.228 1.00 10.00 O ATOM 549 CB ASN A 37 -6.976 -3.319 -6.719 1.00 10.00 C ATOM 550 CG ASN A 37 -7.826 -2.163 -6.193 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.595 -2.324 -5.252 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.721 -0.986 -6.804 1.00 10.00 N ATOM 0 H ASN A 37 -5.224 -3.115 -4.815 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.612 -4.770 -5.297 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -6.040 -2.921 -7.109 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.495 -3.789 -7.554 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -8.286 -0.197 -6.491 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -7.075 -0.873 -7.585 1.00 10.00 H new ATOM 559 N PHE A 38 -6.103 -6.755 -5.735 1.00 10.00 N ATOM 560 CA PHE A 38 -5.461 -8.019 -6.099 1.00 10.00 C ATOM 561 C PHE A 38 -5.937 -8.557 -7.457 1.00 10.00 C ATOM 562 O PHE A 38 -6.353 -9.706 -7.581 1.00 10.00 O ATOM 563 CB PHE A 38 -5.662 -9.039 -4.963 1.00 10.00 C ATOM 564 CG PHE A 38 -7.047 -9.084 -4.337 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.063 -9.880 -4.900 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.315 -8.330 -3.178 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.351 -9.881 -4.336 1.00 10.00 C ATOM 568 CE2 PHE A 38 -8.605 -8.323 -2.622 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.625 -9.094 -3.204 1.00 10.00 C ATOM 0 H PHE A 38 -6.783 -6.879 -4.985 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.393 -7.838 -6.223 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.428 -10.031 -5.349 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -4.938 -8.823 -4.177 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.853 -10.490 -5.766 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -6.526 -7.755 -2.715 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -10.131 -10.487 -4.773 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -8.813 -7.725 -1.747 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.619 -9.082 -2.782 1.00 10.00 H new ATOM 579 N ALA A 39 -5.844 -7.716 -8.486 1.00 10.00 N ATOM 580 CA ALA A 39 -6.127 -8.026 -9.881 1.00 10.00 C ATOM 581 C ALA A 39 -5.771 -6.826 -10.759 1.00 10.00 C ATOM 582 O ALA A 39 -5.256 -6.990 -11.858 1.00 10.00 O ATOM 583 CB ALA A 39 -7.609 -8.365 -10.068 1.00 10.00 C ATOM 0 H ALA A 39 -5.553 -6.747 -8.358 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.527 -8.888 -10.171 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.800 -8.594 -11.116 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.865 -9.230 -9.456 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.218 -7.513 -9.765 1.00 10.00 H new ATOM 589 N LEU A 40 -6.094 -5.619 -10.280 1.00 10.00 N ATOM 590 CA LEU A 40 -6.006 -4.384 -11.050 1.00 10.00 C ATOM 591 C LEU A 40 -4.612 -3.766 -10.973 1.00 10.00 C ATOM 592 O LEU A 40 -4.313 -2.839 -11.721 1.00 10.00 O ATOM 593 CB LEU A 40 -7.045 -3.387 -10.533 1.00 10.00 C ATOM 594 CG LEU A 40 -8.414 -4.017 -10.234 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.369 -2.887 -9.859 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.954 -4.835 -11.409 1.00 10.00 C ATOM 0 H LEU A 40 -6.430 -5.476 -9.327 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.204 -4.623 -12.095 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.665 -2.919 -9.625 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.173 -2.595 -11.271 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.313 -4.724 -9.411 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.353 -3.300 -9.640 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.990 -2.367 -8.979 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.447 -2.186 -10.690 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.923 -5.257 -11.143 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.066 -4.190 -12.281 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.258 -5.641 -11.641 1.00 10.00 H new ATOM 608 N GLU A 41 -3.788 -4.267 -10.048 1.00 10.00 N ATOM 609 CA GLU A 41 -2.365 -3.958 -9.942 1.00 10.00 C ATOM 610 C GLU A 41 -2.167 -2.561 -9.351 1.00 10.00 C ATOM 611 O GLU A 41 -1.246 -1.832 -9.719 1.00 10.00 O ATOM 612 CB GLU A 41 -1.643 -4.158 -11.287 1.00 10.00 C ATOM 613 CG GLU A 41 -1.967 -5.525 -11.908 1.00 10.00 C ATOM 614 CD GLU A 41 -1.150 -5.820 -13.163 1.00 10.00 C ATOM 615 OE1 GLU A 41 -0.939 -4.868 -13.943 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.753 -6.996 -13.322 1.00 10.00 O ATOM 0 H GLU A 41 -4.106 -4.919 -9.331 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.901 -4.663 -9.252 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.934 -3.366 -11.978 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.567 -4.072 -11.139 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.783 -6.306 -11.170 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -3.028 -5.563 -12.155 1.00 10.00 H new ATOM 623 N THR A 42 -3.031 -2.215 -8.393 1.00 10.00 N ATOM 624 CA THR A 42 -3.025 -0.954 -7.676 1.00 10.00 C ATOM 625 C THR A 42 -3.299 -1.243 -6.208 1.00 10.00 C ATOM 626 O THR A 42 -4.277 -1.918 -5.883 1.00 10.00 O ATOM 627 CB THR A 42 -4.125 -0.041 -8.220 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.344 -0.758 -8.216 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.775 0.446 -9.623 1.00 10.00 C ATOM 0 H THR A 42 -3.781 -2.836 -8.090 1.00 10.00 H new ATOM 0 HA THR A 42 -2.061 -0.461 -7.799 1.00 10.00 H new ATOM 0 HB THR A 42 -4.222 0.842 -7.589 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.848 -0.551 -9.030 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.570 1.094 -9.992 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.838 1.003 -9.592 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.666 -0.410 -10.289 1.00 10.00 H new ATOM 637 N VAL A 43 -2.471 -0.709 -5.323 1.00 10.00 N ATOM 638 CA VAL A 43 -2.772 -0.682 -3.900 1.00 10.00 C ATOM 639 C VAL A 43 -3.515 0.617 -3.613 1.00 10.00 C ATOM 640 O VAL A 43 -3.049 1.685 -4.001 1.00 10.00 O ATOM 641 CB VAL A 43 -1.470 -0.788 -3.103 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.576 -0.371 -1.632 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.890 -2.204 -3.183 1.00 10.00 C ATOM 0 H VAL A 43 -1.577 -0.285 -5.569 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.399 -1.523 -3.604 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.803 -0.070 -3.580 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.604 -0.481 -1.152 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.896 0.669 -1.571 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.304 -1.005 -1.126 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.035 -2.251 -2.608 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.608 -2.915 -2.774 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.684 -2.454 -4.224 1.00 10.00 H new ATOM 653 N THR A 44 -4.632 0.507 -2.896 1.00 10.00 N ATOM 654 CA THR A 44 -5.404 1.607 -2.350 1.00 10.00 C ATOM 655 C THR A 44 -5.222 1.548 -0.835 1.00 10.00 C ATOM 656 O THR A 44 -5.635 0.547 -0.246 1.00 10.00 O ATOM 657 CB THR A 44 -6.882 1.352 -2.693 1.00 10.00 C ATOM 658 OG1 THR A 44 -7.103 1.337 -4.092 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.803 2.380 -2.035 1.00 10.00 C ATOM 0 H THR A 44 -5.039 -0.401 -2.672 1.00 10.00 H new ATOM 0 HA THR A 44 -5.093 2.574 -2.745 1.00 10.00 H new ATOM 0 HB THR A 44 -7.123 0.366 -2.295 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.466 1.939 -4.530 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.838 2.165 -2.302 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.690 2.330 -0.952 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.539 3.379 -2.381 1.00 10.00 H new ATOM 667 N VAL A 45 -4.643 2.569 -0.185 1.00 10.00 N ATOM 668 CA VAL A 45 -4.684 2.654 1.273 1.00 10.00 C ATOM 669 C VAL A 45 -5.330 3.967 1.695 1.00 10.00 C ATOM 670 O VAL A 45 -5.085 5.008 1.094 1.00 10.00 O ATOM 671 CB VAL A 45 -3.276 2.489 1.862 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.246 2.700 3.386 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.722 1.106 1.484 1.00 10.00 C ATOM 0 H VAL A 45 -4.149 3.335 -0.643 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.293 1.840 1.667 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.640 3.264 1.435 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -2.227 2.572 3.751 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.592 3.707 3.621 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.898 1.971 3.867 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.722 0.988 1.902 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -3.376 0.331 1.883 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.674 1.017 0.399 1.00 10.00 H new ATOM 683 N GLU A 46 -6.135 3.910 2.754 1.00 10.00 N ATOM 684 CA GLU A 46 -6.580 5.064 3.495 1.00 10.00 C ATOM 685 C GLU A 46 -5.716 5.165 4.755 1.00 10.00 C ATOM 686 O GLU A 46 -5.732 4.251 5.587 1.00 10.00 O ATOM 687 CB GLU A 46 -8.059 4.902 3.826 1.00 10.00 C ATOM 688 CG GLU A 46 -8.729 6.255 4.054 1.00 10.00 C ATOM 689 CD GLU A 46 -10.116 6.051 4.627 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.855 5.240 4.020 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.375 6.669 5.681 1.00 10.00 O ATOM 0 H GLU A 46 -6.499 3.031 3.122 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.473 5.984 2.920 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.561 4.378 3.012 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.169 4.285 4.718 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.129 6.858 4.736 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.791 6.803 3.114 1.00 10.00 H new ATOM 698 N TYR A 47 -4.949 6.250 4.885 1.00 10.00 N ATOM 699 CA TYR A 47 -4.108 6.511 6.047 1.00 10.00 C ATOM 700 C TYR A 47 -4.031 8.015 6.271 1.00 10.00 C ATOM 701 O TYR A 47 -4.458 8.785 5.418 1.00 10.00 O ATOM 702 CB TYR A 47 -2.710 5.885 5.887 1.00 10.00 C ATOM 703 CG TYR A 47 -1.726 6.667 5.033 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.785 6.633 3.625 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.760 7.474 5.662 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.942 7.468 2.870 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.017 8.369 4.910 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.096 8.383 3.513 1.00 10.00 C ATOM 709 OH TYR A 47 0.614 9.284 2.779 1.00 10.00 O ATOM 0 H TYR A 47 -4.897 6.980 4.174 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.552 6.042 6.925 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.276 5.754 6.878 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.826 4.891 5.455 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.475 5.968 3.128 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.616 7.404 6.730 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -0.946 7.404 1.792 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.699 9.044 5.406 1.00 10.00 H new ATOM 0 HH TYR A 47 1.149 9.845 3.378 1.00 10.00 H new ATOM 719 N ASN A 48 -3.515 8.435 7.422 1.00 10.00 N ATOM 720 CA ASN A 48 -3.361 9.842 7.762 1.00 10.00 C ATOM 721 C ASN A 48 -1.913 10.272 7.537 1.00 10.00 C ATOM 722 O ASN A 48 -0.986 9.565 7.928 1.00 10.00 O ATOM 723 CB ASN A 48 -3.877 10.140 9.182 1.00 10.00 C ATOM 724 CG ASN A 48 -3.089 9.558 10.357 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.873 9.427 10.342 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.779 9.264 11.453 1.00 10.00 N ATOM 0 H ASN A 48 -3.189 7.800 8.151 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.982 10.444 7.099 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.915 11.222 9.306 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.902 9.775 9.251 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.295 8.928 12.286 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.793 9.374 11.462 1.00 10.00 H new ATOM 733 N PRO A 49 -1.657 11.435 6.930 1.00 10.00 N ATOM 734 CA PRO A 49 -0.309 11.959 6.856 1.00 10.00 C ATOM 735 C PRO A 49 0.035 12.635 8.190 1.00 10.00 C ATOM 736 O PRO A 49 0.424 13.801 8.197 1.00 10.00 O ATOM 737 CB PRO A 49 -0.355 12.933 5.671 1.00 10.00 C ATOM 738 CG PRO A 49 -1.778 13.493 5.744 1.00 10.00 C ATOM 739 CD PRO A 49 -2.597 12.296 6.228 1.00 10.00 C ATOM 0 HA PRO A 49 0.466 11.209 6.700 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.394 13.719 5.765 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.168 12.426 4.724 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.846 14.333 6.435 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.121 13.850 4.773 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.404 12.615 6.888 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.058 11.772 5.390 1.00 10.00 H new ATOM 747 N LYS A 50 -0.110 11.929 9.327 1.00 10.00 N ATOM 748 CA LYS A 50 0.265 12.496 10.625 1.00 10.00 C ATOM 749 C LYS A 50 1.033 11.490 11.485 1.00 10.00 C ATOM 750 O LYS A 50 1.227 11.716 12.679 1.00 10.00 O ATOM 751 CB LYS A 50 -0.974 13.111 11.318 1.00 10.00 C ATOM 752 CG LYS A 50 -1.796 12.132 12.171 1.00 10.00 C ATOM 753 CD LYS A 50 -1.605 12.348 13.680 1.00 10.00 C ATOM 754 CE LYS A 50 -1.868 11.030 14.425 1.00 10.00 C ATOM 755 NZ LYS A 50 -1.498 11.115 15.852 1.00 10.00 N ATOM 0 H LYS A 50 -0.479 10.979 9.369 1.00 10.00 H new ATOM 0 HA LYS A 50 0.967 13.315 10.468 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.645 13.934 11.953 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.624 13.538 10.554 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.852 12.241 11.924 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.513 11.111 11.917 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -0.592 12.697 13.883 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.286 13.121 14.036 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.923 10.770 14.339 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -1.303 10.227 13.952 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -1.692 10.205 16.316 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -0.485 11.337 15.935 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -2.056 11.863 16.311 1.00 10.00 H new ATOM 769 N GLU A 51 1.433 10.362 10.894 1.00 10.00 N ATOM 770 CA GLU A 51 2.048 9.258 11.601 1.00 10.00 C ATOM 771 C GLU A 51 3.143 8.680 10.703 1.00 10.00 C ATOM 772 O GLU A 51 4.328 8.821 10.999 1.00 10.00 O ATOM 773 CB GLU A 51 0.933 8.270 11.974 1.00 10.00 C ATOM 774 CG GLU A 51 1.366 7.271 13.048 1.00 10.00 C ATOM 775 CD GLU A 51 2.204 6.148 12.459 1.00 10.00 C ATOM 776 OE1 GLU A 51 1.608 5.361 11.692 1.00 10.00 O ATOM 777 OE2 GLU A 51 3.407 6.104 12.775 1.00 10.00 O ATOM 0 H GLU A 51 1.333 10.196 9.893 1.00 10.00 H new ATOM 0 HA GLU A 51 2.535 9.548 12.532 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.065 8.825 12.329 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.621 7.726 11.082 1.00 10.00 H new ATOM 0 HG2 GLU A 51 1.939 7.788 13.818 1.00 10.00 H new ATOM 0 HG3 GLU A 51 0.484 6.852 13.534 1.00 10.00 H new ATOM 784 N ALA A 52 2.740 8.114 9.562 1.00 10.00 N ATOM 785 CA ALA A 52 3.642 7.544 8.571 1.00 10.00 C ATOM 786 C ALA A 52 3.560 8.361 7.282 1.00 10.00 C ATOM 787 O ALA A 52 2.745 9.279 7.175 1.00 10.00 O ATOM 788 CB ALA A 52 3.277 6.081 8.327 1.00 10.00 C ATOM 0 H ALA A 52 1.757 8.040 9.301 1.00 10.00 H new ATOM 0 HA ALA A 52 4.669 7.580 8.934 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.953 5.656 7.585 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.365 5.524 9.260 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.252 6.018 7.962 1.00 10.00 H new ATOM 794 N SER A 53 4.398 8.024 6.298 1.00 10.00 N ATOM 795 CA SER A 53 4.420 8.665 4.992 1.00 10.00 C ATOM 796 C SER A 53 4.329 7.612 3.890 1.00 10.00 C ATOM 797 O SER A 53 4.548 6.424 4.126 1.00 10.00 O ATOM 798 CB SER A 53 5.716 9.468 4.844 1.00 10.00 C ATOM 799 OG SER A 53 6.837 8.603 4.894 1.00 10.00 O ATOM 0 H SER A 53 5.092 7.282 6.395 1.00 10.00 H new ATOM 0 HA SER A 53 3.566 9.336 4.904 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.709 10.012 3.899 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.785 10.211 5.639 1.00 10.00 H new ATOM 0 HG SER A 53 7.659 9.127 4.797 1.00 10.00 H new ATOM 805 N VAL A 54 4.081 8.075 2.664 1.00 10.00 N ATOM 806 CA VAL A 54 4.216 7.266 1.462 1.00 10.00 C ATOM 807 C VAL A 54 5.572 6.551 1.467 1.00 10.00 C ATOM 808 O VAL A 54 5.642 5.333 1.310 1.00 10.00 O ATOM 809 CB VAL A 54 4.038 8.152 0.222 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.322 7.359 -1.061 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.615 8.731 0.206 1.00 10.00 C ATOM 0 H VAL A 54 3.778 9.032 2.481 1.00 10.00 H new ATOM 0 HA VAL A 54 3.440 6.501 1.438 1.00 10.00 H new ATOM 0 HB VAL A 54 4.754 8.973 0.266 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.189 8.008 -1.927 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.346 6.987 -1.040 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.632 6.518 -1.129 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.488 9.361 -0.675 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.891 7.917 0.177 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.455 9.327 1.104 1.00 10.00 H new ATOM 821 N SER A 55 6.647 7.324 1.651 1.00 10.00 N ATOM 822 CA SER A 55 8.018 6.849 1.717 1.00 10.00 C ATOM 823 C SER A 55 8.200 5.721 2.732 1.00 10.00 C ATOM 824 O SER A 55 8.971 4.791 2.468 1.00 10.00 O ATOM 825 CB SER A 55 8.921 8.039 2.043 1.00 10.00 C ATOM 826 OG SER A 55 8.612 9.094 1.148 1.00 10.00 O ATOM 0 H SER A 55 6.575 8.335 1.761 1.00 10.00 H new ATOM 0 HA SER A 55 8.290 6.423 0.751 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.769 8.359 3.074 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.969 7.756 1.949 1.00 10.00 H new ATOM 0 HG SER A 55 9.182 9.867 1.344 1.00 10.00 H new ATOM 832 N ASP A 56 7.495 5.794 3.866 1.00 10.00 N ATOM 833 CA ASP A 56 7.509 4.722 4.843 1.00 10.00 C ATOM 834 C ASP A 56 6.743 3.524 4.298 1.00 10.00 C ATOM 835 O ASP A 56 7.335 2.466 4.110 1.00 10.00 O ATOM 836 CB ASP A 56 6.913 5.185 6.172 1.00 10.00 C ATOM 837 CG ASP A 56 6.954 4.043 7.178 1.00 10.00 C ATOM 838 OD1 ASP A 56 5.986 3.252 7.168 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.963 3.973 7.909 1.00 10.00 O ATOM 0 H ASP A 56 6.910 6.589 4.122 1.00 10.00 H new ATOM 0 HA ASP A 56 8.543 4.430 5.028 1.00 10.00 H new ATOM 0 HB2 ASP A 56 7.472 6.039 6.554 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.885 5.516 6.025 1.00 10.00 H new ATOM 844 N LEU A 57 5.450 3.682 3.993 1.00 10.00 N ATOM 845 CA LEU A 57 4.613 2.529 3.711 1.00 10.00 C ATOM 846 C LEU A 57 5.156 1.722 2.535 1.00 10.00 C ATOM 847 O LEU A 57 5.322 0.504 2.640 1.00 10.00 O ATOM 848 CB LEU A 57 3.142 2.935 3.593 1.00 10.00 C ATOM 849 CG LEU A 57 2.753 3.870 2.444 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.466 3.126 1.136 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.535 4.716 2.837 1.00 10.00 C ATOM 0 H LEU A 57 4.975 4.583 3.938 1.00 10.00 H new ATOM 0 HA LEU A 57 4.651 1.843 4.557 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.549 2.025 3.501 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.850 3.413 4.528 1.00 10.00 H new ATOM 0 HG LEU A 57 3.613 4.514 2.264 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.196 3.843 0.361 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.355 2.576 0.828 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.642 2.428 1.287 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.269 5.376 2.012 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.694 4.060 3.063 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.775 5.313 3.716 1.00 10.00 H new ATOM 863 N LYS A 58 5.518 2.398 1.439 1.00 10.00 N ATOM 864 CA LYS A 58 6.204 1.747 0.342 1.00 10.00 C ATOM 865 C LYS A 58 7.390 0.881 0.760 1.00 10.00 C ATOM 866 O LYS A 58 7.603 -0.140 0.119 1.00 10.00 O ATOM 867 CB LYS A 58 6.596 2.749 -0.746 1.00 10.00 C ATOM 868 CG LYS A 58 7.535 3.889 -0.341 1.00 10.00 C ATOM 869 CD LYS A 58 8.896 3.886 -1.063 1.00 10.00 C ATOM 870 CE LYS A 58 9.897 2.858 -0.520 1.00 10.00 C ATOM 871 NZ LYS A 58 10.371 3.190 0.845 1.00 10.00 N ATOM 0 H LYS A 58 5.343 3.393 1.298 1.00 10.00 H new ATOM 0 HA LYS A 58 5.477 1.049 -0.074 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.066 2.197 -1.560 1.00 10.00 H new ATOM 0 HB3 LYS A 58 5.682 3.189 -1.145 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.037 4.839 -0.536 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.709 3.835 0.734 1.00 10.00 H new ATOM 0 HD2 LYS A 58 8.731 3.691 -2.123 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.337 4.880 -0.987 1.00 10.00 H new ATOM 0 HE2 LYS A 58 9.431 1.873 -0.509 1.00 10.00 H new ATOM 0 HE3 LYS A 58 10.752 2.798 -1.193 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.849 2.363 1.257 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 11.038 3.987 0.797 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.560 3.453 1.440 1.00 10.00 H new ATOM 885 N GLU A 59 8.172 1.248 1.787 1.00 10.00 N ATOM 886 CA GLU A 59 9.304 0.455 2.245 1.00 10.00 C ATOM 887 C GLU A 59 8.887 -0.979 2.516 1.00 10.00 C ATOM 888 O GLU A 59 9.647 -1.901 2.248 1.00 10.00 O ATOM 889 CB GLU A 59 9.903 1.078 3.509 1.00 10.00 C ATOM 890 CG GLU A 59 11.345 0.601 3.762 1.00 10.00 C ATOM 891 CD GLU A 59 11.497 -0.611 4.703 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.658 -0.733 5.622 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.464 -1.393 4.522 1.00 10.00 O ATOM 0 H GLU A 59 8.030 2.107 2.319 1.00 10.00 H new ATOM 0 HA GLU A 59 10.058 0.447 1.458 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.892 2.164 3.418 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.282 0.824 4.368 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.798 0.351 2.803 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.915 1.432 4.177 1.00 10.00 H new ATOM 900 N ALA A 60 7.667 -1.171 3.017 1.00 10.00 N ATOM 901 CA ALA A 60 7.210 -2.513 3.322 1.00 10.00 C ATOM 902 C ALA A 60 7.132 -3.343 2.036 1.00 10.00 C ATOM 903 O ALA A 60 7.722 -4.419 1.951 1.00 10.00 O ATOM 904 CB ALA A 60 5.889 -2.460 4.082 1.00 10.00 C ATOM 0 H ALA A 60 6.996 -0.429 3.214 1.00 10.00 H new ATOM 0 HA ALA A 60 7.925 -3.010 3.977 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.557 -3.474 4.305 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.027 -1.910 5.013 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.138 -1.958 3.472 1.00 10.00 H new ATOM 910 N VAL A 61 6.435 -2.821 1.022 1.00 10.00 N ATOM 911 CA VAL A 61 6.397 -3.424 -0.309 1.00 10.00 C ATOM 912 C VAL A 61 7.817 -3.610 -0.867 1.00 10.00 C ATOM 913 O VAL A 61 8.165 -4.695 -1.333 1.00 10.00 O ATOM 914 CB VAL A 61 5.508 -2.582 -1.244 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.604 -3.072 -2.694 1.00 10.00 C ATOM 916 CG2 VAL A 61 4.040 -2.660 -0.817 1.00 10.00 C ATOM 0 H VAL A 61 5.882 -1.968 1.103 1.00 10.00 H new ATOM 0 HA VAL A 61 5.955 -4.418 -0.239 1.00 10.00 H new ATOM 0 HB VAL A 61 5.866 -1.555 -1.177 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.965 -2.458 -3.329 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.636 -2.996 -3.036 1.00 10.00 H new ATOM 0 HG13 VAL A 61 5.279 -4.111 -2.749 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.432 -2.058 -1.492 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.705 -3.697 -0.854 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.936 -2.281 0.200 1.00 10.00 H new ATOM 926 N ASP A 62 8.639 -2.558 -0.781 1.00 10.00 N ATOM 927 CA ASP A 62 10.006 -2.521 -1.295 1.00 10.00 C ATOM 928 C ASP A 62 10.783 -3.716 -0.743 1.00 10.00 C ATOM 929 O ASP A 62 11.299 -4.552 -1.482 1.00 10.00 O ATOM 930 CB ASP A 62 10.660 -1.179 -0.911 1.00 10.00 C ATOM 931 CG ASP A 62 11.283 -0.474 -2.099 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.392 -0.856 -2.529 1.00 10.00 O ATOM 933 OD2 ASP A 62 10.662 0.484 -2.616 1.00 10.00 O ATOM 0 H ASP A 62 8.359 -1.683 -0.337 1.00 10.00 H new ATOM 0 HA ASP A 62 10.010 -2.593 -2.383 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.910 -0.529 -0.460 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.425 -1.355 -0.155 1.00 10.00 H new ATOM 938 N LYS A 63 10.801 -3.813 0.586 1.00 10.00 N ATOM 939 CA LYS A 63 11.415 -4.877 1.358 1.00 10.00 C ATOM 940 C LYS A 63 10.851 -6.245 0.967 1.00 10.00 C ATOM 941 O LYS A 63 11.592 -7.223 0.902 1.00 10.00 O ATOM 942 CB LYS A 63 11.183 -4.564 2.842 1.00 10.00 C ATOM 943 CG LYS A 63 12.011 -5.423 3.799 1.00 10.00 C ATOM 944 CD LYS A 63 13.512 -5.185 3.570 1.00 10.00 C ATOM 945 CE LYS A 63 14.299 -5.205 4.883 1.00 10.00 C ATOM 946 NZ LYS A 63 14.031 -3.988 5.689 1.00 10.00 N ATOM 0 H LYS A 63 10.362 -3.109 1.179 1.00 10.00 H new ATOM 0 HA LYS A 63 12.485 -4.926 1.154 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.414 -3.514 3.021 1.00 10.00 H new ATOM 0 HB3 LYS A 63 10.126 -4.701 3.070 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.751 -5.183 4.830 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.776 -6.477 3.648 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.903 -5.951 2.900 1.00 10.00 H new ATOM 0 HD3 LYS A 63 13.656 -4.225 3.075 1.00 10.00 H new ATOM 0 HE2 LYS A 63 14.030 -6.091 5.458 1.00 10.00 H new ATOM 0 HE3 LYS A 63 15.366 -5.275 4.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 14.931 -3.582 6.015 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 13.527 -3.289 5.106 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 13.446 -4.238 6.512 1.00 10.00 H new ATOM 960 N LEU A 64 9.541 -6.317 0.711 1.00 10.00 N ATOM 961 CA LEU A 64 8.886 -7.511 0.185 1.00 10.00 C ATOM 962 C LEU A 64 9.429 -7.941 -1.185 1.00 10.00 C ATOM 963 O LEU A 64 9.243 -9.096 -1.564 1.00 10.00 O ATOM 964 CB LEU A 64 7.367 -7.286 0.134 1.00 10.00 C ATOM 965 CG LEU A 64 6.574 -8.169 1.105 1.00 10.00 C ATOM 966 CD1 LEU A 64 6.955 -7.930 2.571 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.094 -7.828 0.931 1.00 10.00 C ATOM 0 H LEU A 64 8.902 -5.537 0.866 1.00 10.00 H new ATOM 0 HA LEU A 64 9.110 -8.333 0.864 1.00 10.00 H new ATOM 0 HB2 LEU A 64 7.157 -6.240 0.356 1.00 10.00 H new ATOM 0 HB3 LEU A 64 7.016 -7.473 -0.881 1.00 10.00 H new ATOM 0 HG LEU A 64 6.795 -9.212 0.877 1.00 10.00 H new ATOM 0 HD11 LEU A 64 6.362 -8.582 3.212 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.014 -8.148 2.712 1.00 10.00 H new ATOM 0 HD13 LEU A 64 6.761 -6.890 2.833 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.498 -8.439 1.608 1.00 10.00 H new ATOM 0 HD22 LEU A 64 4.934 -6.774 1.158 1.00 10.00 H new ATOM 0 HD23 LEU A 64 4.793 -8.027 -0.097 1.00 10.00 H new ATOM 979 N GLY A 65 10.090 -7.047 -1.926 1.00 10.00 N ATOM 980 CA GLY A 65 10.850 -7.397 -3.120 1.00 10.00 C ATOM 981 C GLY A 65 10.145 -7.010 -4.419 1.00 10.00 C ATOM 982 O GLY A 65 10.523 -7.493 -5.484 1.00 10.00 O ATOM 0 H GLY A 65 10.110 -6.051 -1.708 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.822 -6.905 -3.081 1.00 10.00 H new ATOM 0 HA3 GLY A 65 11.037 -8.471 -3.122 1.00 10.00 H new ATOM 986 N TYR A 66 9.139 -6.137 -4.351 1.00 10.00 N ATOM 987 CA TYR A 66 8.522 -5.497 -5.508 1.00 10.00 C ATOM 988 C TYR A 66 8.346 -4.027 -5.155 1.00 10.00 C ATOM 989 O TYR A 66 8.444 -3.692 -3.979 1.00 10.00 O ATOM 990 CB TYR A 66 7.211 -6.193 -5.896 1.00 10.00 C ATOM 991 CG TYR A 66 6.313 -6.682 -4.774 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.671 -7.843 -4.063 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.020 -6.146 -4.614 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.772 -8.430 -3.163 1.00 10.00 C ATOM 995 CE2 TYR A 66 4.089 -6.793 -3.787 1.00 10.00 C ATOM 996 CZ TYR A 66 4.468 -7.927 -3.052 1.00 10.00 C ATOM 997 OH TYR A 66 3.557 -8.555 -2.260 1.00 10.00 O ATOM 0 H TYR A 66 8.722 -5.850 -3.466 1.00 10.00 H new ATOM 0 HA TYR A 66 9.151 -5.581 -6.395 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.634 -5.502 -6.511 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.459 -7.048 -6.524 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.645 -8.284 -4.212 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.745 -5.237 -5.128 1.00 10.00 H new ATOM 0 HE1 TYR A 66 6.083 -9.268 -2.556 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.079 -6.418 -3.716 1.00 10.00 H new ATOM 0 HH TYR A 66 3.972 -9.338 -1.842 1.00 10.00 H new ATOM 1007 N LYS A 67 8.167 -3.136 -6.136 1.00 10.00 N ATOM 1008 CA LYS A 67 8.242 -1.702 -5.874 1.00 10.00 C ATOM 1009 C LYS A 67 6.859 -1.061 -5.887 1.00 10.00 C ATOM 1010 O LYS A 67 6.000 -1.404 -6.703 1.00 10.00 O ATOM 1011 CB LYS A 67 9.231 -1.023 -6.828 1.00 10.00 C ATOM 1012 CG LYS A 67 9.625 0.391 -6.353 1.00 10.00 C ATOM 1013 CD LYS A 67 11.046 0.769 -6.804 1.00 10.00 C ATOM 1014 CE LYS A 67 12.146 0.072 -5.979 1.00 10.00 C ATOM 1015 NZ LYS A 67 12.280 0.623 -4.617 1.00 10.00 N ATOM 0 H LYS A 67 7.972 -3.382 -7.106 1.00 10.00 H new ATOM 0 HA LYS A 67 8.631 -1.554 -4.867 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.127 -1.637 -6.916 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.789 -0.960 -7.822 1.00 10.00 H new ATOM 0 HG2 LYS A 67 8.914 1.118 -6.745 1.00 10.00 H new ATOM 0 HG3 LYS A 67 9.564 0.440 -5.266 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.169 0.509 -7.855 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.171 1.849 -6.726 1.00 10.00 H new ATOM 0 HE2 LYS A 67 11.924 -0.993 -5.914 1.00 10.00 H new ATOM 0 HE3 LYS A 67 13.099 0.168 -6.499 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 12.735 -0.081 -4.001 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.862 1.485 -4.647 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 11.338 0.854 -4.242 1.00 10.00 H new ATOM 1029 N LEU A 68 6.684 -0.120 -4.957 1.00 10.00 N ATOM 1030 CA LEU A 68 5.493 0.686 -4.770 1.00 10.00 C ATOM 1031 C LEU A 68 5.873 2.144 -4.990 1.00 10.00 C ATOM 1032 O LEU A 68 6.965 2.568 -4.604 1.00 10.00 O ATOM 1033 CB LEU A 68 4.984 0.510 -3.333 1.00 10.00 C ATOM 1034 CG LEU A 68 3.593 1.123 -3.135 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.577 0.278 -3.892 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.187 1.220 -1.669 1.00 10.00 C ATOM 0 H LEU A 68 7.414 0.106 -4.281 1.00 10.00 H new ATOM 0 HA LEU A 68 4.713 0.383 -5.469 1.00 10.00 H new ATOM 0 HB2 LEU A 68 4.950 -0.552 -3.088 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.686 0.974 -2.641 1.00 10.00 H new ATOM 0 HG LEU A 68 3.623 2.143 -3.519 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.581 0.702 -3.761 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.830 0.268 -4.952 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.591 -0.741 -3.506 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.193 1.662 -1.595 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.175 0.223 -1.228 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.902 1.844 -1.134 1.00 10.00 H new ATOM 1048 N LYS A 69 4.953 2.916 -5.561 1.00 10.00 N ATOM 1049 CA LYS A 69 5.020 4.351 -5.690 1.00 10.00 C ATOM 1050 C LYS A 69 3.602 4.884 -5.752 1.00 10.00 C ATOM 1051 O LYS A 69 2.705 4.155 -6.160 1.00 10.00 O ATOM 1052 CB LYS A 69 5.777 4.724 -6.970 1.00 10.00 C ATOM 1053 CG LYS A 69 7.291 4.839 -6.776 1.00 10.00 C ATOM 1054 CD LYS A 69 7.583 5.744 -5.574 1.00 10.00 C ATOM 1055 CE LYS A 69 8.968 6.397 -5.690 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.206 7.392 -4.624 1.00 10.00 N ATOM 0 H LYS A 69 4.100 2.528 -5.964 1.00 10.00 H new ATOM 0 HA LYS A 69 5.548 4.784 -4.840 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.573 3.974 -7.734 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.394 5.673 -7.345 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.724 3.852 -6.616 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.754 5.248 -7.674 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.819 6.518 -5.505 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.530 5.160 -4.655 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.737 5.626 -5.643 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.060 6.880 -6.663 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.152 7.807 -4.742 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.489 8.143 -4.683 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.145 6.927 -3.696 1.00 10.00 H new ATOM 1070 N LEU A 70 3.405 6.137 -5.333 1.00 10.00 N ATOM 1071 CA LEU A 70 2.092 6.755 -5.360 1.00 10.00 C ATOM 1072 C LEU A 70 1.665 6.976 -6.810 1.00 10.00 C ATOM 1073 O LEU A 70 2.490 7.196 -7.694 1.00 10.00 O ATOM 1074 CB LEU A 70 2.108 8.102 -4.627 1.00 10.00 C ATOM 1075 CG LEU A 70 0.782 8.527 -3.985 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.480 7.690 -2.742 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.860 10.000 -3.572 1.00 10.00 C ATOM 0 H LEU A 70 4.145 6.738 -4.971 1.00 10.00 H new ATOM 0 HA LEU A 70 1.387 6.093 -4.858 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.870 8.062 -3.849 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.413 8.875 -5.333 1.00 10.00 H new ATOM 0 HG LEU A 70 -0.011 8.376 -4.718 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.466 8.013 -2.307 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.412 6.638 -3.019 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.279 7.821 -2.012 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.083 10.300 -3.116 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.669 10.134 -2.854 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.050 10.615 -4.452 1.00 10.00 H new ATOM 1089 N LYS A 71 0.356 6.977 -6.995 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.370 7.460 -8.149 1.00 10.00 C ATOM 1091 C LYS A 71 -0.942 8.810 -7.737 1.00 10.00 C ATOM 1092 O LYS A 71 -0.690 9.834 -8.367 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.489 6.452 -8.440 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.587 7.003 -9.358 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.934 5.988 -10.453 1.00 10.00 C ATOM 1096 CE LYS A 71 -1.816 5.986 -11.511 1.00 10.00 C ATOM 1097 NZ LYS A 71 -1.577 4.645 -12.069 1.00 10.00 N ATOM 0 H LYS A 71 -0.274 6.609 -6.282 1.00 10.00 H new ATOM 0 HA LYS A 71 0.244 7.567 -9.043 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -1.056 5.563 -8.898 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.938 6.138 -7.498 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.477 7.233 -8.772 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -2.255 7.937 -9.812 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -3.045 4.993 -10.022 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.888 6.244 -10.914 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.080 6.671 -12.317 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -0.895 6.360 -11.064 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -0.579 4.558 -12.349 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -1.799 3.926 -11.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.184 4.502 -12.902 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.723 8.776 -6.661 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.337 9.927 -6.047 1.00 10.00 C ATOM 1113 C GLY A 72 -3.303 9.379 -5.014 1.00 10.00 C ATOM 1114 O GLY A 72 -2.897 9.048 -3.903 1.00 10.00 O ATOM 0 H GLY A 72 -1.948 7.905 -6.181 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.588 10.568 -5.581 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.859 10.533 -6.787 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.559 9.190 -5.414 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.674 9.069 -4.490 1.00 10.00 C ATOM 1120 C GLU A 73 -6.899 8.521 -5.224 1.00 10.00 C ATOM 1121 O GLU A 73 -7.142 8.870 -6.376 1.00 10.00 O ATOM 1122 CB GLU A 73 -5.937 10.445 -3.855 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.191 11.560 -4.887 1.00 10.00 C ATOM 1124 CD GLU A 73 -5.738 12.914 -4.363 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -4.520 13.174 -4.478 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -6.609 13.657 -3.863 1.00 10.00 O ATOM 0 H GLU A 73 -4.828 9.117 -6.395 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.442 8.365 -3.691 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -6.799 10.371 -3.192 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.082 10.721 -3.237 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -5.661 11.330 -5.811 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.253 11.599 -5.129 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.640 7.622 -4.567 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.800 6.953 -5.116 1.00 10.00 C ATOM 1135 C GLN A 74 -10.012 7.883 -5.241 1.00 10.00 C ATOM 1136 O GLN A 74 -10.716 7.846 -6.244 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.150 5.764 -4.200 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.144 4.459 -4.995 1.00 10.00 C ATOM 1139 CD GLN A 74 -9.974 3.358 -4.338 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -10.838 3.631 -3.505 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -9.684 2.099 -4.634 1.00 10.00 N ATOM 0 H GLN A 74 -7.433 7.339 -3.609 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.556 6.617 -6.124 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -8.431 5.703 -3.383 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -10.131 5.919 -3.751 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -9.529 4.648 -5.997 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -8.116 4.113 -5.108 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -8.965 1.891 -5.327 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -10.180 1.339 -4.169 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.285 8.625 -4.161 1.00 10.00 N ATOM 1151 CA ASP A 75 -11.493 9.415 -3.924 1.00 10.00 C ATOM 1152 C ASP A 75 -12.791 8.694 -4.341 1.00 10.00 C ATOM 1153 O ASP A 75 -13.370 8.950 -5.397 1.00 10.00 O ATOM 1154 CB ASP A 75 -11.356 10.810 -4.543 1.00 10.00 C ATOM 1155 CG ASP A 75 -12.525 11.701 -4.142 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -13.102 11.426 -3.066 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -12.817 12.643 -4.908 1.00 10.00 O ATOM 0 H ASP A 75 -9.627 8.692 -3.384 1.00 10.00 H new ATOM 0 HA ASP A 75 -11.588 9.540 -2.845 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -10.420 11.265 -4.220 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -11.312 10.727 -5.629 1.00 10.00 H new ATOM 1162 N SER A 76 -13.257 7.761 -3.499 1.00 10.00 N ATOM 1163 CA SER A 76 -14.408 6.904 -3.797 1.00 10.00 C ATOM 1164 C SER A 76 -15.722 7.672 -3.618 1.00 10.00 C ATOM 1165 O SER A 76 -16.463 7.447 -2.661 1.00 10.00 O ATOM 1166 CB SER A 76 -14.360 5.634 -2.933 1.00 10.00 C ATOM 1167 OG SER A 76 -15.188 4.603 -3.442 1.00 10.00 O ATOM 0 H SER A 76 -12.841 7.580 -2.585 1.00 10.00 H new ATOM 0 HA SER A 76 -14.360 6.597 -4.842 1.00 10.00 H new ATOM 0 HB2 SER A 76 -13.332 5.276 -2.875 1.00 10.00 H new ATOM 0 HB3 SER A 76 -14.670 5.877 -1.917 1.00 10.00 H new ATOM 0 HG SER A 76 -16.129 4.850 -3.322 1.00 10.00 H new ATOM 1173 N ILE A 77 -16.012 8.586 -4.544 1.00 10.00 N ATOM 1174 CA ILE A 77 -17.230 9.384 -4.520 1.00 10.00 C ATOM 1175 C ILE A 77 -18.479 8.561 -4.868 1.00 10.00 C ATOM 1176 O ILE A 77 -19.002 8.616 -5.978 1.00 10.00 O ATOM 1177 CB ILE A 77 -17.088 10.627 -5.406 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -16.534 10.305 -6.810 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -16.188 11.648 -4.700 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -16.814 11.428 -7.811 1.00 10.00 C ATOM 0 H ILE A 77 -15.402 8.792 -5.335 1.00 10.00 H new ATOM 0 HA ILE A 77 -17.374 9.725 -3.495 1.00 10.00 H new ATOM 0 HB ILE A 77 -18.085 11.040 -5.556 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -15.459 10.137 -6.745 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -16.980 9.378 -7.171 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -16.083 12.535 -5.325 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -16.634 11.928 -3.746 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -15.206 11.208 -4.526 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -16.406 11.157 -8.785 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -17.890 11.578 -7.897 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -16.345 12.349 -7.465 1.00 10.00 H new ATOM 1192 N GLU A 78 -18.978 7.827 -3.877 1.00 10.00 N ATOM 1193 CA GLU A 78 -20.227 7.080 -3.974 1.00 10.00 C ATOM 1194 C GLU A 78 -21.438 8.025 -4.002 1.00 10.00 C ATOM 1195 O GLU A 78 -21.331 9.213 -3.698 1.00 10.00 O ATOM 1196 CB GLU A 78 -20.327 6.048 -2.834 1.00 10.00 C ATOM 1197 CG GLU A 78 -20.535 4.630 -3.384 1.00 10.00 C ATOM 1198 CD GLU A 78 -19.316 4.139 -4.162 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -18.199 4.216 -3.597 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -19.530 3.712 -5.315 1.00 10.00 O ATOM 0 H GLU A 78 -18.519 7.734 -2.971 1.00 10.00 H new ATOM 0 HA GLU A 78 -20.231 6.533 -4.917 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -19.418 6.078 -2.233 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -21.154 6.310 -2.175 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -20.739 3.947 -2.560 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -21.410 4.617 -4.034 1.00 10.00 H new ATOM 1207 N GLY A 79 -22.601 7.485 -4.378 1.00 10.00 N ATOM 1208 CA GLY A 79 -23.802 8.260 -4.652 1.00 10.00 C ATOM 1209 C GLY A 79 -24.817 8.206 -3.510 1.00 10.00 C ATOM 1210 O GLY A 79 -25.618 7.275 -3.484 1.00 10.00 O ATOM 0 H GLY A 79 -22.730 6.481 -4.501 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -23.525 9.298 -4.836 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -24.268 7.888 -5.564 1.00 10.00 H new ATOM 1214 N ARG A 80 -24.810 9.234 -2.647 1.00 10.00 N ATOM 1215 CA ARG A 80 -25.813 9.621 -1.643 1.00 10.00 C ATOM 1216 C ARG A 80 -25.113 9.862 -0.298 1.00 10.00 C ATOM 1217 O ARG A 80 -25.294 10.980 0.251 1.00 10.00 O ATOM 1218 CB ARG A 80 -27.018 8.651 -1.557 1.00 10.00 C ATOM 1219 CG ARG A 80 -28.183 8.983 -0.603 1.00 10.00 C ATOM 1220 CD ARG A 80 -28.753 10.404 -0.727 1.00 10.00 C ATOM 1221 NE ARG A 80 -27.850 11.313 -0.025 1.00 10.00 N ATOM 1222 CZ ARG A 80 -27.834 12.642 0.055 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -28.883 13.371 -0.341 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -26.720 13.193 0.538 1.00 10.00 N ATOM 1225 OXT ARG A 80 -24.434 8.929 0.172 1.00 10.00 O ATOM 0 H ARG A 80 -24.021 9.880 -2.634 1.00 10.00 H new ATOM 0 HA ARG A 80 -26.273 10.557 -1.961 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -27.433 8.553 -2.560 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -26.632 7.672 -1.275 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -28.989 8.270 -0.779 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -27.844 8.834 0.422 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -28.842 10.689 -1.775 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -29.753 10.453 -0.297 1.00 10.00 H new ATOM 0 HE ARG A 80 -27.103 10.850 0.493 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -29.714 12.910 -0.712 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -28.852 14.388 -0.272 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -25.940 12.601 0.822 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -26.648 14.207 0.623 1.00 10.00 H new TER 1239 ARG A 80