USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 ASN : amide:sc= -2.53! K(o=-2.5!,f=-0.8) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0623 USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= 1.11 (180deg=-0.331) USER MOD Single : A 17 TYR OH : rot 178:sc= 0.552 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 2.39 (180deg=2.16) USER MOD Single : A 32 TYR OH : rot 180:sc= -2.52! USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= 1.08 (180deg=0.379) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0.312 (180deg=0.282) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= 0.976 (180deg=0.404) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.0351 (180deg=-0.283) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 139:sc= 1.26 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 91:sc= 0.336 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 91:sc= 0.842 USER MOD Single : A 94 GLN : amide:sc=-0.00631 X(o=-0.0063,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.09) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -106:sc= -0.124 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 80.537 -10.643 -6.084 1.00 0.00 N ATOM 21 CA ASN A 2 81.793 -10.838 -6.791 1.00 0.00 C ATOM 22 C ASN A 2 82.342 -9.472 -7.177 1.00 0.00 C ATOM 23 O ASN A 2 81.725 -8.448 -6.870 1.00 0.00 O ATOM 24 CB ASN A 2 81.601 -11.679 -8.063 1.00 0.00 C ATOM 25 CG ASN A 2 80.511 -12.722 -7.937 1.00 0.00 C ATOM 26 OD1 ASN A 2 79.337 -12.442 -8.181 1.00 0.00 O ATOM 27 ND2 ASN A 2 80.891 -13.937 -7.582 1.00 0.00 N ATOM 0 HA ASN A 2 82.483 -11.371 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 2 81.364 -11.016 -8.895 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.541 -12.174 -8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 2 80.201 -14.684 -7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 2 81.874 -14.128 -7.388 1.00 0.00 H new ATOM 34 N SER A 3 83.476 -9.451 -7.861 1.00 0.00 N ATOM 35 CA SER A 3 84.043 -8.203 -8.354 1.00 0.00 C ATOM 36 C SER A 3 83.055 -7.499 -9.282 1.00 0.00 C ATOM 37 O SER A 3 83.010 -6.272 -9.344 1.00 0.00 O ATOM 38 CB SER A 3 85.365 -8.473 -9.081 1.00 0.00 C ATOM 39 OG SER A 3 85.189 -9.399 -10.146 1.00 0.00 O ATOM 0 H SER A 3 84.022 -10.282 -8.088 1.00 0.00 H new ATOM 0 HA SER A 3 84.241 -7.549 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.765 -7.538 -9.472 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.098 -8.863 -8.375 1.00 0.00 H new ATOM 0 HG SER A 3 86.048 -9.551 -10.593 1.00 0.00 H new ATOM 45 N GLU A 4 82.251 -8.296 -9.980 1.00 0.00 N ATOM 46 CA GLU A 4 81.231 -7.779 -10.884 1.00 0.00 C ATOM 47 C GLU A 4 80.195 -6.954 -10.119 1.00 0.00 C ATOM 48 O GLU A 4 79.733 -5.919 -10.599 1.00 0.00 O ATOM 49 CB GLU A 4 80.548 -8.939 -11.610 1.00 0.00 C ATOM 50 CG GLU A 4 79.569 -8.500 -12.683 1.00 0.00 C ATOM 51 CD GLU A 4 78.881 -9.671 -13.346 1.00 0.00 C ATOM 52 OE1 GLU A 4 79.479 -10.284 -14.253 1.00 0.00 O ATOM 53 OE2 GLU A 4 77.742 -9.997 -12.951 1.00 0.00 O ATOM 0 H GLU A 4 82.289 -9.314 -9.935 1.00 0.00 H new ATOM 0 HA GLU A 4 81.712 -7.129 -11.615 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.311 -9.570 -12.065 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.021 -9.552 -10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 4 78.819 -7.844 -12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.098 -7.917 -13.437 1.00 0.00 H new ATOM 60 N VAL A 5 79.851 -7.409 -8.921 1.00 0.00 N ATOM 61 CA VAL A 5 78.898 -6.701 -8.076 1.00 0.00 C ATOM 62 C VAL A 5 79.474 -5.356 -7.653 1.00 0.00 C ATOM 63 O VAL A 5 78.798 -4.328 -7.714 1.00 0.00 O ATOM 64 CB VAL A 5 78.529 -7.530 -6.826 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.593 -6.757 -5.909 1.00 0.00 C ATOM 66 CG2 VAL A 5 77.898 -8.851 -7.239 1.00 0.00 C ATOM 0 H VAL A 5 80.219 -8.268 -8.512 1.00 0.00 H new ATOM 0 HA VAL A 5 77.990 -6.541 -8.657 1.00 0.00 H new ATOM 0 HB VAL A 5 79.445 -7.734 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.351 -7.366 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 5 78.079 -5.837 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.677 -6.513 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.642 -9.426 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 5 76.995 -8.658 -7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.604 -9.417 -7.847 1.00 0.00 H new ATOM 76 N ILE A 6 80.733 -5.377 -7.228 1.00 0.00 N ATOM 77 CA ILE A 6 81.452 -4.151 -6.904 1.00 0.00 C ATOM 78 C ILE A 6 81.528 -3.230 -8.126 1.00 0.00 C ATOM 79 O ILE A 6 81.345 -2.019 -8.004 1.00 0.00 O ATOM 80 CB ILE A 6 82.874 -4.449 -6.382 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.799 -5.314 -5.120 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.625 -3.155 -6.094 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.150 -5.646 -4.526 1.00 0.00 C ATOM 0 H ILE A 6 81.277 -6.231 -7.100 1.00 0.00 H new ATOM 0 HA ILE A 6 80.897 -3.648 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 6 83.419 -4.994 -7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.201 -4.796 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.279 -6.242 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.625 -3.388 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.702 -2.568 -7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.086 -2.582 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.015 -6.261 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.745 -6.193 -5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.665 -4.724 -4.256 1.00 0.00 H new ATOM 95 N LYS A 7 81.788 -3.815 -9.299 1.00 0.00 N ATOM 96 CA LYS A 7 81.784 -3.067 -10.559 1.00 0.00 C ATOM 97 C LYS A 7 80.500 -2.264 -10.701 1.00 0.00 C ATOM 98 O LYS A 7 80.533 -1.039 -10.837 1.00 0.00 O ATOM 99 CB LYS A 7 81.904 -4.006 -11.762 1.00 0.00 C ATOM 100 CG LYS A 7 83.296 -4.561 -12.011 1.00 0.00 C ATOM 101 CD LYS A 7 83.265 -5.563 -13.155 1.00 0.00 C ATOM 102 CE LYS A 7 84.656 -5.998 -13.581 1.00 0.00 C ATOM 103 NZ LYS A 7 85.439 -4.878 -14.167 1.00 0.00 N ATOM 0 H LYS A 7 82.004 -4.806 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 7 82.643 -2.396 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.217 -4.840 -11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 7 81.578 -3.471 -12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 7 83.982 -3.748 -12.248 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.671 -5.041 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 7 82.690 -6.438 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 7 82.748 -5.122 -14.007 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.189 -6.400 -12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.576 -6.804 -14.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.197 -5.261 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.812 -4.279 -14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.856 -4.309 -13.403 1.00 0.00 H new ATOM 117 N GLU A 8 79.368 -2.966 -10.656 1.00 0.00 N ATOM 118 CA GLU A 8 78.065 -2.329 -10.791 1.00 0.00 C ATOM 119 C GLU A 8 77.881 -1.240 -9.746 1.00 0.00 C ATOM 120 O GLU A 8 77.393 -0.163 -10.058 1.00 0.00 O ATOM 121 CB GLU A 8 76.932 -3.346 -10.663 1.00 0.00 C ATOM 122 CG GLU A 8 76.907 -4.391 -11.762 1.00 0.00 C ATOM 123 CD GLU A 8 75.586 -5.130 -11.808 1.00 0.00 C ATOM 124 OE1 GLU A 8 75.290 -5.894 -10.864 1.00 0.00 O ATOM 125 OE2 GLU A 8 74.821 -4.933 -12.775 1.00 0.00 O ATOM 0 H GLU A 8 79.331 -3.977 -10.527 1.00 0.00 H new ATOM 0 HA GLU A 8 78.028 -1.884 -11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.018 -3.850 -9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 8 75.980 -2.815 -10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 8 77.088 -3.911 -12.724 1.00 0.00 H new ATOM 0 HG3 GLU A 8 77.716 -5.104 -11.604 1.00 0.00 H new ATOM 132 N PHE A 9 78.279 -1.526 -8.512 1.00 0.00 N ATOM 133 CA PHE A 9 78.134 -0.571 -7.419 1.00 0.00 C ATOM 134 C PHE A 9 78.919 0.708 -7.704 1.00 0.00 C ATOM 135 O PHE A 9 78.382 1.810 -7.592 1.00 0.00 O ATOM 136 CB PHE A 9 78.596 -1.197 -6.099 1.00 0.00 C ATOM 137 CG PHE A 9 78.488 -0.272 -4.918 1.00 0.00 C ATOM 138 CD1 PHE A 9 77.248 0.135 -4.453 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.626 0.192 -4.278 1.00 0.00 C ATOM 140 CE1 PHE A 9 77.145 0.985 -3.369 1.00 0.00 C ATOM 141 CE2 PHE A 9 79.529 1.043 -3.193 1.00 0.00 C ATOM 142 CZ PHE A 9 78.287 1.440 -2.739 1.00 0.00 C ATOM 0 H PHE A 9 78.705 -2.413 -8.243 1.00 0.00 H new ATOM 0 HA PHE A 9 77.079 -0.310 -7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 9 78.003 -2.091 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.632 -1.519 -6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.352 -0.216 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.600 -0.115 -4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 9 76.173 1.293 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 9 80.423 1.397 -2.701 1.00 0.00 H new ATOM 0 HZ PHE A 9 78.208 2.106 -1.892 1.00 0.00 H new ATOM 152 N LEU A 10 80.178 0.552 -8.093 1.00 0.00 N ATOM 153 CA LEU A 10 81.047 1.693 -8.366 1.00 0.00 C ATOM 154 C LEU A 10 80.509 2.528 -9.524 1.00 0.00 C ATOM 155 O LEU A 10 80.408 3.751 -9.430 1.00 0.00 O ATOM 156 CB LEU A 10 82.466 1.219 -8.687 1.00 0.00 C ATOM 157 CG LEU A 10 83.180 0.483 -7.552 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.526 -0.039 -8.025 1.00 0.00 C ATOM 159 CD2 LEU A 10 83.355 1.398 -6.350 1.00 0.00 C ATOM 0 H LEU A 10 80.623 -0.356 -8.227 1.00 0.00 H new ATOM 0 HA LEU A 10 81.070 2.315 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.424 0.561 -9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 10 83.065 2.084 -8.971 1.00 0.00 H new ATOM 0 HG LEU A 10 82.566 -0.366 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 10 85.022 -0.560 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.377 -0.728 -8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 10 85.146 0.796 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.865 0.857 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.948 2.266 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 10 82.377 1.727 -5.998 1.00 0.00 H new ATOM 171 N GLU A 11 80.149 1.861 -10.609 1.00 0.00 N ATOM 172 CA GLU A 11 79.673 2.550 -11.800 1.00 0.00 C ATOM 173 C GLU A 11 78.257 3.088 -11.593 1.00 0.00 C ATOM 174 O GLU A 11 77.833 4.021 -12.270 1.00 0.00 O ATOM 175 CB GLU A 11 79.733 1.613 -13.009 1.00 0.00 C ATOM 176 CG GLU A 11 81.117 1.019 -13.228 1.00 0.00 C ATOM 177 CD GLU A 11 81.207 0.164 -14.471 1.00 0.00 C ATOM 178 OE1 GLU A 11 80.454 -0.826 -14.580 1.00 0.00 O ATOM 179 OE2 GLU A 11 82.033 0.480 -15.353 1.00 0.00 O ATOM 0 H GLU A 11 80.177 0.845 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 11 80.324 3.403 -11.990 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.014 0.805 -12.873 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.432 2.160 -13.902 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.845 1.827 -13.297 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.389 0.418 -12.360 1.00 0.00 H new ATOM 186 N ASP A 12 77.537 2.508 -10.641 1.00 0.00 N ATOM 187 CA ASP A 12 76.192 2.972 -10.306 1.00 0.00 C ATOM 188 C ASP A 12 76.253 4.262 -9.500 1.00 0.00 C ATOM 189 O ASP A 12 75.438 5.164 -9.690 1.00 0.00 O ATOM 190 CB ASP A 12 75.431 1.901 -9.520 1.00 0.00 C ATOM 191 CG ASP A 12 74.058 2.358 -9.077 1.00 0.00 C ATOM 192 OD1 ASP A 12 73.192 2.588 -9.945 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.838 2.488 -7.853 1.00 0.00 O ATOM 0 H ASP A 12 77.860 1.715 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 12 75.661 3.166 -11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.329 1.008 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 12 76.014 1.618 -8.644 1.00 0.00 H new ATOM 198 N ILE A 13 77.225 4.355 -8.601 1.00 0.00 N ATOM 199 CA ILE A 13 77.403 5.564 -7.807 1.00 0.00 C ATOM 200 C ILE A 13 78.289 6.566 -8.541 1.00 0.00 C ATOM 201 O ILE A 13 78.498 7.684 -8.074 1.00 0.00 O ATOM 202 CB ILE A 13 77.993 5.266 -6.410 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.363 4.588 -6.527 1.00 0.00 C ATOM 204 CG2 ILE A 13 77.031 4.402 -5.605 1.00 0.00 C ATOM 205 CD1 ILE A 13 80.016 4.295 -5.193 1.00 0.00 C ATOM 0 H ILE A 13 77.897 3.614 -8.404 1.00 0.00 H new ATOM 0 HA ILE A 13 76.412 5.995 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 13 78.132 6.212 -5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.250 3.655 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 13 80.025 5.226 -7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.459 4.199 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.083 4.927 -5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.862 3.461 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.981 3.816 -5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.162 5.227 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.376 3.631 -4.612 1.00 0.00 H new ATOM 217 N GLY A 14 78.816 6.149 -9.690 1.00 0.00 N ATOM 218 CA GLY A 14 79.588 7.046 -10.530 1.00 0.00 C ATOM 219 C GLY A 14 80.970 7.320 -9.975 1.00 0.00 C ATOM 220 O GLY A 14 81.438 8.459 -9.979 1.00 0.00 O ATOM 0 H GLY A 14 78.721 5.201 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.680 6.615 -11.527 1.00 0.00 H new ATOM 0 HA3 GLY A 14 79.051 7.988 -10.639 1.00 0.00 H new ATOM 224 N GLU A 15 81.628 6.278 -9.496 1.00 0.00 N ATOM 225 CA GLU A 15 82.954 6.422 -8.924 1.00 0.00 C ATOM 226 C GLU A 15 84.017 5.797 -9.806 1.00 0.00 C ATOM 227 O GLU A 15 83.762 4.842 -10.538 1.00 0.00 O ATOM 228 CB GLU A 15 83.011 5.824 -7.521 1.00 0.00 C ATOM 229 CG GLU A 15 82.451 6.753 -6.462 1.00 0.00 C ATOM 230 CD GLU A 15 83.128 8.108 -6.480 1.00 0.00 C ATOM 231 OE1 GLU A 15 84.334 8.170 -6.802 1.00 0.00 O ATOM 232 OE2 GLU A 15 82.456 9.117 -6.187 1.00 0.00 O ATOM 0 H GLU A 15 81.265 5.325 -9.492 1.00 0.00 H new ATOM 0 HA GLU A 15 83.161 7.490 -8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.453 4.887 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 15 84.045 5.583 -7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 15 81.380 6.881 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 15 82.575 6.299 -5.479 1.00 0.00 H new ATOM 239 N ASP A 16 85.213 6.354 -9.721 1.00 0.00 N ATOM 240 CA ASP A 16 86.335 5.907 -10.528 1.00 0.00 C ATOM 241 C ASP A 16 87.087 4.803 -9.806 1.00 0.00 C ATOM 242 O ASP A 16 87.108 4.762 -8.574 1.00 0.00 O ATOM 243 CB ASP A 16 87.283 7.074 -10.810 1.00 0.00 C ATOM 244 CG ASP A 16 86.581 8.262 -11.433 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.076 9.123 -10.677 1.00 0.00 O ATOM 246 OD2 ASP A 16 86.533 8.345 -12.678 1.00 0.00 O ATOM 0 H ASP A 16 85.433 7.127 -9.092 1.00 0.00 H new ATOM 0 HA ASP A 16 85.952 5.523 -11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 16 87.757 7.385 -9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 16 88.078 6.738 -11.475 1.00 0.00 H new ATOM 251 N TYR A 17 87.706 3.915 -10.567 1.00 0.00 N ATOM 252 CA TYR A 17 88.451 2.809 -9.987 1.00 0.00 C ATOM 253 C TYR A 17 89.671 2.468 -10.831 1.00 0.00 C ATOM 254 O TYR A 17 89.635 2.555 -12.060 1.00 0.00 O ATOM 255 CB TYR A 17 87.551 1.575 -9.828 1.00 0.00 C ATOM 256 CG TYR A 17 86.800 1.174 -11.079 1.00 0.00 C ATOM 257 CD1 TYR A 17 87.381 0.345 -12.031 1.00 0.00 C ATOM 258 CD2 TYR A 17 85.501 1.616 -11.305 1.00 0.00 C ATOM 259 CE1 TYR A 17 86.693 -0.029 -13.168 1.00 0.00 C ATOM 260 CE2 TYR A 17 84.807 1.247 -12.440 1.00 0.00 C ATOM 261 CZ TYR A 17 85.408 0.427 -13.369 1.00 0.00 C ATOM 262 OH TYR A 17 84.718 0.049 -14.499 1.00 0.00 O ATOM 0 H TYR A 17 87.708 3.938 -11.587 1.00 0.00 H new ATOM 0 HA TYR A 17 88.796 3.119 -9.001 1.00 0.00 H new ATOM 0 HB2 TYR A 17 88.164 0.734 -9.504 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.830 1.768 -9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 17 88.388 -0.013 -11.879 1.00 0.00 H new ATOM 0 HD2 TYR A 17 85.026 2.260 -10.579 1.00 0.00 H new ATOM 0 HE1 TYR A 17 87.159 -0.676 -13.896 1.00 0.00 H new ATOM 0 HE2 TYR A 17 83.798 1.599 -12.598 1.00 0.00 H new ATOM 0 HH TYR A 17 83.815 0.429 -14.473 1.00 0.00 H new ATOM 272 N ILE A 18 90.754 2.103 -10.165 1.00 0.00 N ATOM 273 CA ILE A 18 91.947 1.635 -10.851 1.00 0.00 C ATOM 274 C ILE A 18 91.957 0.114 -10.852 1.00 0.00 C ATOM 275 O ILE A 18 92.410 -0.518 -9.892 1.00 0.00 O ATOM 276 CB ILE A 18 93.242 2.165 -10.191 1.00 0.00 C ATOM 277 CG1 ILE A 18 93.226 3.696 -10.129 1.00 0.00 C ATOM 278 CG2 ILE A 18 94.472 1.675 -10.948 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.127 4.361 -11.486 1.00 0.00 C ATOM 0 H ILE A 18 90.832 2.122 -9.148 1.00 0.00 H new ATOM 0 HA ILE A 18 91.921 2.016 -11.872 1.00 0.00 H new ATOM 0 HB ILE A 18 93.289 1.778 -9.173 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.384 4.017 -9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 18 94.133 4.040 -9.631 1.00 0.00 H new ATOM 0 HG21 ILE A 18 95.372 2.059 -10.467 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.494 0.585 -10.941 1.00 0.00 H new ATOM 0 HG23 ILE A 18 94.431 2.030 -11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.121 5.444 -11.361 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.982 4.071 -12.097 1.00 0.00 H new ATOM 0 HD13 ILE A 18 92.206 4.048 -11.978 1.00 0.00 H new ATOM 291 N GLU A 19 91.417 -0.468 -11.911 1.00 0.00 N ATOM 292 CA GLU A 19 91.287 -1.911 -11.991 1.00 0.00 C ATOM 293 C GLU A 19 92.505 -2.529 -12.664 1.00 0.00 C ATOM 294 O GLU A 19 92.727 -2.358 -13.864 1.00 0.00 O ATOM 295 CB GLU A 19 90.008 -2.297 -12.738 1.00 0.00 C ATOM 296 CG GLU A 19 89.702 -3.785 -12.688 1.00 0.00 C ATOM 297 CD GLU A 19 88.369 -4.126 -13.317 1.00 0.00 C ATOM 298 OE1 GLU A 19 87.331 -3.946 -12.650 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.353 -4.583 -14.481 1.00 0.00 O ATOM 0 H GLU A 19 91.063 0.036 -12.724 1.00 0.00 H new ATOM 0 HA GLU A 19 91.224 -2.302 -10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.168 -1.747 -12.313 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.097 -1.987 -13.779 1.00 0.00 H new ATOM 0 HG2 GLU A 19 90.493 -4.332 -13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 19 89.706 -4.118 -11.650 1.00 0.00 H new ATOM 306 N LEU A 20 93.297 -3.220 -11.867 1.00 0.00 N ATOM 307 CA LEU A 20 94.446 -3.962 -12.352 1.00 0.00 C ATOM 308 C LEU A 20 94.099 -5.443 -12.341 1.00 0.00 C ATOM 309 O LEU A 20 92.946 -5.809 -12.102 1.00 0.00 O ATOM 310 CB LEU A 20 95.661 -3.699 -11.455 1.00 0.00 C ATOM 311 CG LEU A 20 96.038 -2.228 -11.268 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.202 -2.097 -10.297 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.388 -1.589 -12.603 1.00 0.00 C ATOM 0 H LEU A 20 93.161 -3.283 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 20 94.694 -3.644 -13.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.467 -4.133 -10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.519 -4.225 -11.873 1.00 0.00 H new ATOM 0 HG LEU A 20 95.177 -1.705 -10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.458 -1.044 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 20 96.919 -2.516 -9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.064 -2.637 -10.688 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.653 -0.543 -12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.233 -2.115 -13.048 1.00 0.00 H new ATOM 0 HD23 LEU A 20 95.529 -1.650 -13.272 1.00 0.00 H new ATOM 325 N GLU A 21 95.075 -6.304 -12.571 1.00 0.00 N ATOM 326 CA GLU A 21 94.810 -7.730 -12.537 1.00 0.00 C ATOM 327 C GLU A 21 94.771 -8.225 -11.097 1.00 0.00 C ATOM 328 O GLU A 21 95.791 -8.249 -10.405 1.00 0.00 O ATOM 329 CB GLU A 21 95.833 -8.511 -13.361 1.00 0.00 C ATOM 330 CG GLU A 21 95.738 -8.226 -14.852 1.00 0.00 C ATOM 331 CD GLU A 21 96.412 -9.287 -15.694 1.00 0.00 C ATOM 332 OE1 GLU A 21 95.778 -10.330 -15.959 1.00 0.00 O ATOM 333 OE2 GLU A 21 97.573 -9.084 -16.107 1.00 0.00 O ATOM 0 H GLU A 21 96.040 -6.047 -12.779 1.00 0.00 H new ATOM 0 HA GLU A 21 93.834 -7.904 -12.989 1.00 0.00 H new ATOM 0 HB2 GLU A 21 96.836 -8.264 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 21 95.690 -9.578 -13.191 1.00 0.00 H new ATOM 0 HG2 GLU A 21 94.689 -8.154 -15.138 1.00 0.00 H new ATOM 0 HG3 GLU A 21 96.193 -7.258 -15.062 1.00 0.00 H new ATOM 340 N ASN A 22 93.561 -8.577 -10.655 1.00 0.00 N ATOM 341 CA ASN A 22 93.311 -9.079 -9.301 1.00 0.00 C ATOM 342 C ASN A 22 93.474 -7.976 -8.259 1.00 0.00 C ATOM 343 O ASN A 22 93.613 -8.252 -7.065 1.00 0.00 O ATOM 344 CB ASN A 22 94.215 -10.273 -8.962 1.00 0.00 C ATOM 345 CG ASN A 22 93.976 -11.463 -9.873 1.00 0.00 C ATOM 346 OD1 ASN A 22 93.050 -12.245 -9.660 1.00 0.00 O ATOM 347 ND2 ASN A 22 94.823 -11.628 -10.878 1.00 0.00 N ATOM 0 H ASN A 22 92.721 -8.521 -11.231 1.00 0.00 H new ATOM 0 HA ASN A 22 92.277 -9.423 -9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.258 -9.967 -9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.044 -10.572 -7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 22 94.719 -12.424 -11.507 1.00 0.00 H new ATOM 0 HD22 ASN A 22 95.579 -10.959 -11.023 1.00 0.00 H new ATOM 354 N GLU A 23 93.425 -6.726 -8.710 1.00 0.00 N ATOM 355 CA GLU A 23 93.505 -5.577 -7.815 1.00 0.00 C ATOM 356 C GLU A 23 92.625 -4.437 -8.308 1.00 0.00 C ATOM 357 O GLU A 23 92.676 -4.068 -9.472 1.00 0.00 O ATOM 358 CB GLU A 23 94.941 -5.067 -7.694 1.00 0.00 C ATOM 359 CG GLU A 23 95.828 -5.908 -6.796 1.00 0.00 C ATOM 360 CD GLU A 23 97.169 -5.255 -6.554 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.193 -4.123 -6.023 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.204 -5.864 -6.899 1.00 0.00 O ATOM 0 H GLU A 23 93.330 -6.483 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 23 93.156 -5.912 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.385 -5.027 -8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.921 -4.046 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.327 -6.072 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 23 95.978 -6.888 -7.249 1.00 0.00 H new ATOM 369 N ILE A 24 91.827 -3.882 -7.417 1.00 0.00 N ATOM 370 CA ILE A 24 91.040 -2.700 -7.724 1.00 0.00 C ATOM 371 C ILE A 24 91.325 -1.621 -6.687 1.00 0.00 C ATOM 372 O ILE A 24 90.929 -1.738 -5.531 1.00 0.00 O ATOM 373 CB ILE A 24 89.521 -2.998 -7.758 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.200 -4.016 -8.856 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.729 -1.714 -7.978 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.739 -4.407 -8.919 1.00 0.00 C ATOM 0 H ILE A 24 91.705 -4.233 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 24 91.328 -2.360 -8.719 1.00 0.00 H new ATOM 0 HB ILE A 24 89.232 -3.422 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.498 -3.603 -9.820 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.800 -4.912 -8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.663 -1.943 -7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.934 -1.016 -7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 24 89.022 -1.264 -8.926 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.590 -5.130 -9.721 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.440 -4.851 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.133 -3.522 -9.112 1.00 0.00 H new ATOM 388 N HIS A 25 92.043 -0.588 -7.093 1.00 0.00 N ATOM 389 CA HIS A 25 92.399 0.490 -6.181 1.00 0.00 C ATOM 390 C HIS A 25 91.350 1.593 -6.249 1.00 0.00 C ATOM 391 O HIS A 25 91.014 2.075 -7.334 1.00 0.00 O ATOM 392 CB HIS A 25 93.796 1.036 -6.502 1.00 0.00 C ATOM 393 CG HIS A 25 94.911 0.069 -6.209 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.943 0.348 -5.336 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.158 -1.178 -6.685 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.772 -0.682 -5.290 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.319 -1.621 -6.098 1.00 0.00 N ATOM 0 H HIS A 25 92.391 -0.471 -8.045 1.00 0.00 H new ATOM 0 HA HIS A 25 92.425 0.098 -5.164 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.834 1.311 -7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.959 1.948 -5.928 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.553 -1.722 -7.395 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.669 -0.744 -4.691 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.758 -2.527 -6.260 1.00 0.00 H new ATOM 406 N LEU A 26 90.824 1.971 -5.090 1.00 0.00 N ATOM 407 CA LEU A 26 89.730 2.934 -5.017 1.00 0.00 C ATOM 408 C LEU A 26 90.138 4.183 -4.248 1.00 0.00 C ATOM 409 O LEU A 26 91.188 4.216 -3.599 1.00 0.00 O ATOM 410 CB LEU A 26 88.514 2.307 -4.329 1.00 0.00 C ATOM 411 CG LEU A 26 87.863 1.141 -5.070 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.682 0.603 -4.278 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.420 1.575 -6.453 1.00 0.00 C ATOM 0 H LEU A 26 91.139 1.624 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 26 89.477 3.215 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.817 1.962 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.764 3.083 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 26 88.599 0.344 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.229 -0.227 -4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.025 0.257 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 26 85.944 1.394 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.958 0.733 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.698 2.387 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.285 1.918 -7.021 1.00 0.00 H new ATOM 425 N LYS A 27 89.291 5.202 -4.316 1.00 0.00 N ATOM 426 CA LYS A 27 89.477 6.412 -3.533 1.00 0.00 C ATOM 427 C LYS A 27 89.211 6.096 -2.065 1.00 0.00 C ATOM 428 O LYS A 27 88.291 5.338 -1.759 1.00 0.00 O ATOM 429 CB LYS A 27 88.518 7.510 -4.009 1.00 0.00 C ATOM 430 CG LYS A 27 88.606 7.805 -5.499 1.00 0.00 C ATOM 431 CD LYS A 27 87.475 8.718 -5.946 1.00 0.00 C ATOM 432 CE LYS A 27 87.445 8.881 -7.457 1.00 0.00 C ATOM 433 NZ LYS A 27 86.234 9.614 -7.913 1.00 0.00 N ATOM 0 H LYS A 27 88.463 5.212 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 27 90.499 6.769 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.497 7.216 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.726 8.425 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.565 8.272 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.567 6.871 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.523 8.311 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 27 87.590 9.695 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 27 88.337 9.417 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 27 87.474 7.899 -7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.049 9.392 -8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.417 9.327 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.388 10.637 -7.809 1.00 0.00 H new ATOM 447 N PRO A 28 90.009 6.662 -1.147 1.00 0.00 N ATOM 448 CA PRO A 28 89.898 6.388 0.294 1.00 0.00 C ATOM 449 C PRO A 28 88.464 6.467 0.824 1.00 0.00 C ATOM 450 O PRO A 28 88.000 5.562 1.519 1.00 0.00 O ATOM 451 CB PRO A 28 90.758 7.483 0.923 1.00 0.00 C ATOM 452 CG PRO A 28 91.782 7.792 -0.111 1.00 0.00 C ATOM 453 CD PRO A 28 91.101 7.612 -1.440 1.00 0.00 C ATOM 0 HA PRO A 28 90.215 5.372 0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 28 90.163 8.363 1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 28 91.220 7.142 1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 28 92.154 8.810 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.641 7.127 -0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.717 8.557 -1.825 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.785 7.217 -2.191 1.00 0.00 H new ATOM 461 N GLU A 29 87.757 7.540 0.481 1.00 0.00 N ATOM 462 CA GLU A 29 86.413 7.762 1.006 1.00 0.00 C ATOM 463 C GLU A 29 85.407 6.822 0.351 1.00 0.00 C ATOM 464 O GLU A 29 84.428 6.413 0.975 1.00 0.00 O ATOM 465 CB GLU A 29 86.001 9.219 0.800 1.00 0.00 C ATOM 466 CG GLU A 29 84.783 9.635 1.605 1.00 0.00 C ATOM 467 CD GLU A 29 84.635 11.139 1.683 1.00 0.00 C ATOM 468 OE1 GLU A 29 85.627 11.815 2.036 1.00 0.00 O ATOM 469 OE2 GLU A 29 83.531 11.654 1.418 1.00 0.00 O ATOM 0 H GLU A 29 88.090 8.265 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 29 86.423 7.548 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.838 9.864 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.798 9.382 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 29 83.888 9.207 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 29 84.859 9.226 2.613 1.00 0.00 H new ATOM 476 N VAL A 30 85.660 6.468 -0.899 1.00 0.00 N ATOM 477 CA VAL A 30 84.793 5.546 -1.616 1.00 0.00 C ATOM 478 C VAL A 30 84.991 4.132 -1.088 1.00 0.00 C ATOM 479 O VAL A 30 84.028 3.389 -0.893 1.00 0.00 O ATOM 480 CB VAL A 30 85.065 5.577 -3.133 1.00 0.00 C ATOM 481 CG1 VAL A 30 84.117 4.642 -3.874 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.945 6.997 -3.662 1.00 0.00 C ATOM 0 H VAL A 30 86.458 6.805 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 30 83.762 5.860 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 30 86.083 5.228 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 30 84.329 4.681 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 30 84.256 3.623 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 30 83.087 4.952 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 30 85.140 7.003 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.939 7.372 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.670 7.636 -3.158 1.00 0.00 H new ATOM 492 N PHE A 31 86.248 3.780 -0.841 1.00 0.00 N ATOM 493 CA PHE A 31 86.596 2.485 -0.269 1.00 0.00 C ATOM 494 C PHE A 31 85.873 2.282 1.055 1.00 0.00 C ATOM 495 O PHE A 31 85.401 1.190 1.349 1.00 0.00 O ATOM 496 CB PHE A 31 88.111 2.397 -0.062 1.00 0.00 C ATOM 497 CG PHE A 31 88.577 1.106 0.555 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.916 0.026 -0.241 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.687 0.977 1.932 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.355 -1.156 0.323 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.123 -0.203 2.501 1.00 0.00 C ATOM 502 CZ PHE A 31 89.459 -1.271 1.694 1.00 0.00 C ATOM 0 H PHE A 31 87.050 4.381 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 31 86.286 1.700 -0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.606 2.526 -1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.428 3.225 0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.836 0.108 -1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.428 1.811 2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.617 -1.991 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.201 -0.290 3.575 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.803 -2.195 2.135 1.00 0.00 H new ATOM 512 N TYR A 32 85.789 3.352 1.836 1.00 0.00 N ATOM 513 CA TYR A 32 85.095 3.336 3.118 1.00 0.00 C ATOM 514 C TYR A 32 83.657 2.829 2.972 1.00 0.00 C ATOM 515 O TYR A 32 83.195 2.001 3.760 1.00 0.00 O ATOM 516 CB TYR A 32 85.121 4.748 3.718 1.00 0.00 C ATOM 517 CG TYR A 32 84.178 4.957 4.879 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.429 4.392 6.122 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.032 5.725 4.724 1.00 0.00 C ATOM 520 CE1 TYR A 32 83.562 4.587 7.179 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.162 5.925 5.774 1.00 0.00 C ATOM 522 CZ TYR A 32 82.430 5.357 6.997 1.00 0.00 C ATOM 523 OH TYR A 32 81.556 5.552 8.040 1.00 0.00 O ATOM 0 H TYR A 32 86.200 4.255 1.599 1.00 0.00 H new ATOM 0 HA TYR A 32 85.607 2.646 3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.136 4.970 4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.876 5.466 2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.315 3.791 6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.819 6.173 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 32 83.768 4.141 8.141 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.274 6.525 5.637 1.00 0.00 H new ATOM 0 HH TYR A 32 80.813 6.118 7.743 1.00 0.00 H new ATOM 533 N GLU A 33 82.963 3.311 1.949 1.00 0.00 N ATOM 534 CA GLU A 33 81.578 2.922 1.715 1.00 0.00 C ATOM 535 C GLU A 33 81.490 1.525 1.104 1.00 0.00 C ATOM 536 O GLU A 33 80.579 0.759 1.421 1.00 0.00 O ATOM 537 CB GLU A 33 80.888 3.944 0.812 1.00 0.00 C ATOM 538 CG GLU A 33 80.644 5.283 1.493 1.00 0.00 C ATOM 539 CD GLU A 33 79.543 5.219 2.536 1.00 0.00 C ATOM 540 OE1 GLU A 33 79.788 4.708 3.649 1.00 0.00 O ATOM 541 OE2 GLU A 33 78.426 5.697 2.248 1.00 0.00 O ATOM 0 H GLU A 33 83.336 3.972 1.268 1.00 0.00 H new ATOM 0 HA GLU A 33 81.067 2.898 2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.498 4.103 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.935 3.536 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 33 81.567 5.619 1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 33 80.382 6.026 0.740 1.00 0.00 H new ATOM 548 N VAL A 34 82.441 1.191 0.237 1.00 0.00 N ATOM 549 CA VAL A 34 82.481 -0.131 -0.386 1.00 0.00 C ATOM 550 C VAL A 34 82.785 -1.204 0.657 1.00 0.00 C ATOM 551 O VAL A 34 82.199 -2.288 0.642 1.00 0.00 O ATOM 552 CB VAL A 34 83.532 -0.198 -1.518 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.574 -1.586 -2.143 1.00 0.00 C ATOM 554 CG2 VAL A 34 83.240 0.852 -2.580 1.00 0.00 C ATOM 0 H VAL A 34 83.194 1.816 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 34 81.498 -0.314 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 34 84.510 0.008 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 34 84.321 -1.605 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.835 -2.320 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.596 -1.827 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.990 0.790 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 34 82.252 0.675 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 34 83.269 1.844 -2.129 1.00 0.00 H new ATOM 564 N TRP A 35 83.693 -0.879 1.567 1.00 0.00 N ATOM 565 CA TRP A 35 84.051 -1.760 2.672 1.00 0.00 C ATOM 566 C TRP A 35 82.812 -2.115 3.487 1.00 0.00 C ATOM 567 O TRP A 35 82.578 -3.277 3.811 1.00 0.00 O ATOM 568 CB TRP A 35 85.102 -1.069 3.547 1.00 0.00 C ATOM 569 CG TRP A 35 85.459 -1.807 4.800 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.881 -3.101 4.906 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.451 -1.276 6.131 1.00 0.00 C ATOM 572 NE1 TRP A 35 86.117 -3.412 6.224 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.867 -2.307 6.994 1.00 0.00 C ATOM 574 CE3 TRP A 35 85.130 -0.031 6.677 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.971 -2.130 8.370 1.00 0.00 C ATOM 576 CZ3 TRP A 35 85.234 0.145 8.043 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.653 -0.899 8.875 1.00 0.00 C ATOM 0 H TRP A 35 84.203 0.004 1.561 1.00 0.00 H new ATOM 0 HA TRP A 35 84.470 -2.687 2.280 1.00 0.00 H new ATOM 0 HB2 TRP A 35 86.007 -0.924 2.957 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.735 -0.079 3.817 1.00 0.00 H new ATOM 0 HD1 TRP A 35 86.010 -3.780 4.076 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.428 -4.319 6.572 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.806 0.780 6.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 86.291 -2.935 9.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.988 1.103 8.476 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.727 -0.729 9.939 1.00 0.00 H new ATOM 588 N LYS A 36 82.008 -1.108 3.788 1.00 0.00 N ATOM 589 CA LYS A 36 80.775 -1.314 4.532 1.00 0.00 C ATOM 590 C LYS A 36 79.724 -2.018 3.677 1.00 0.00 C ATOM 591 O LYS A 36 78.945 -2.826 4.181 1.00 0.00 O ATOM 592 CB LYS A 36 80.242 0.024 5.034 1.00 0.00 C ATOM 593 CG LYS A 36 81.063 0.604 6.171 1.00 0.00 C ATOM 594 CD LYS A 36 80.591 1.996 6.541 1.00 0.00 C ATOM 595 CE LYS A 36 80.711 2.244 8.032 1.00 0.00 C ATOM 596 NZ LYS A 36 79.854 1.309 8.810 1.00 0.00 N ATOM 0 H LYS A 36 82.187 -0.138 3.528 1.00 0.00 H new ATOM 0 HA LYS A 36 80.994 -1.955 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 36 80.225 0.734 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 36 79.212 -0.104 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.994 -0.048 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 82.113 0.639 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 36 81.179 2.737 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 36 79.554 2.124 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.750 2.128 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.426 3.272 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 79.465 1.802 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.074 0.973 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 80.423 0.498 9.125 1.00 0.00 H new ATOM 610 N TYR A 37 79.719 -1.713 2.385 1.00 0.00 N ATOM 611 CA TYR A 37 78.772 -2.307 1.444 1.00 0.00 C ATOM 612 C TYR A 37 78.890 -3.830 1.431 1.00 0.00 C ATOM 613 O TYR A 37 77.886 -4.538 1.453 1.00 0.00 O ATOM 614 CB TYR A 37 79.012 -1.745 0.037 1.00 0.00 C ATOM 615 CG TYR A 37 78.107 -2.320 -1.035 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.777 -1.931 -1.132 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.589 -3.240 -1.960 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.952 -2.443 -2.118 1.00 0.00 C ATOM 619 CE2 TYR A 37 77.771 -3.758 -2.947 1.00 0.00 C ATOM 620 CZ TYR A 37 76.454 -3.356 -3.022 1.00 0.00 C ATOM 621 OH TYR A 37 75.635 -3.864 -4.010 1.00 0.00 O ATOM 0 H TYR A 37 80.367 -1.050 1.960 1.00 0.00 H new ATOM 0 HA TYR A 37 77.763 -2.051 1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.879 -0.663 0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 37 80.049 -1.932 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.380 -1.217 -0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.621 -3.555 -1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.920 -2.129 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.161 -4.474 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 37 76.142 -4.493 -4.564 1.00 0.00 H new ATOM 631 N VAL A 38 80.122 -4.328 1.429 1.00 0.00 N ATOM 632 CA VAL A 38 80.362 -5.766 1.357 1.00 0.00 C ATOM 633 C VAL A 38 80.221 -6.441 2.726 1.00 0.00 C ATOM 634 O VAL A 38 80.625 -7.590 2.907 1.00 0.00 O ATOM 635 CB VAL A 38 81.752 -6.083 0.762 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.848 -5.571 -0.666 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.863 -5.491 1.616 1.00 0.00 C ATOM 0 H VAL A 38 80.968 -3.760 1.476 1.00 0.00 H new ATOM 0 HA VAL A 38 79.597 -6.170 0.694 1.00 0.00 H new ATOM 0 HB VAL A 38 81.876 -7.166 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.833 -5.803 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.083 -6.051 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.696 -4.492 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.830 -5.730 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.745 -4.409 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.811 -5.909 2.621 1.00 0.00 H new ATOM 647 N GLY A 39 79.644 -5.724 3.685 1.00 0.00 N ATOM 648 CA GLY A 39 79.358 -6.312 4.981 1.00 0.00 C ATOM 649 C GLY A 39 80.332 -5.877 6.055 1.00 0.00 C ATOM 650 O GLY A 39 80.205 -6.288 7.209 1.00 0.00 O ATOM 0 H GLY A 39 79.369 -4.746 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.347 -6.039 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.382 -7.398 4.894 1.00 0.00 H new ATOM 654 N GLU A 40 81.294 -5.044 5.669 1.00 0.00 N ATOM 655 CA GLU A 40 82.314 -4.537 6.587 1.00 0.00 C ATOM 656 C GLU A 40 83.122 -5.698 7.186 1.00 0.00 C ATOM 657 O GLU A 40 82.982 -6.031 8.365 1.00 0.00 O ATOM 658 CB GLU A 40 81.663 -3.685 7.686 1.00 0.00 C ATOM 659 CG GLU A 40 82.630 -2.762 8.404 1.00 0.00 C ATOM 660 CD GLU A 40 81.943 -1.858 9.408 1.00 0.00 C ATOM 661 OE1 GLU A 40 81.076 -1.052 9.001 1.00 0.00 O ATOM 662 OE2 GLU A 40 82.276 -1.933 10.607 1.00 0.00 O ATOM 0 H GLU A 40 81.390 -4.701 4.713 1.00 0.00 H new ATOM 0 HA GLU A 40 83.005 -3.902 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 40 80.866 -3.087 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 40 81.197 -4.346 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 40 83.383 -3.360 8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 40 83.154 -2.150 7.670 1.00 0.00 H new ATOM 669 N PRO A 41 83.953 -6.355 6.356 1.00 0.00 N ATOM 670 CA PRO A 41 84.737 -7.514 6.762 1.00 0.00 C ATOM 671 C PRO A 41 86.141 -7.152 7.254 1.00 0.00 C ATOM 672 O PRO A 41 86.422 -5.996 7.583 1.00 0.00 O ATOM 673 CB PRO A 41 84.815 -8.304 5.460 1.00 0.00 C ATOM 674 CG PRO A 41 84.865 -7.263 4.389 1.00 0.00 C ATOM 675 CD PRO A 41 84.184 -6.030 4.938 1.00 0.00 C ATOM 0 HA PRO A 41 84.291 -8.046 7.602 1.00 0.00 H new ATOM 0 HB2 PRO A 41 85.699 -8.941 5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 41 83.950 -8.956 5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 41 85.896 -7.043 4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.361 -7.613 3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.811 -5.145 4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.249 -5.825 4.417 1.00 0.00 H new ATOM 683 N GLU A 42 87.014 -8.159 7.290 1.00 0.00 N ATOM 684 CA GLU A 42 88.391 -7.991 7.748 1.00 0.00 C ATOM 685 C GLU A 42 89.144 -6.945 6.935 1.00 0.00 C ATOM 686 O GLU A 42 88.951 -6.822 5.724 1.00 0.00 O ATOM 687 CB GLU A 42 89.156 -9.310 7.648 1.00 0.00 C ATOM 688 CG GLU A 42 88.578 -10.440 8.475 1.00 0.00 C ATOM 689 CD GLU A 42 89.423 -11.691 8.387 1.00 0.00 C ATOM 690 OE1 GLU A 42 89.316 -12.417 7.377 1.00 0.00 O ATOM 691 OE2 GLU A 42 90.217 -11.944 9.315 1.00 0.00 O ATOM 0 H GLU A 42 86.786 -9.111 7.003 1.00 0.00 H new ATOM 0 HA GLU A 42 88.332 -7.660 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 42 89.184 -9.620 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 42 90.187 -9.141 7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 42 88.501 -10.126 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 42 87.567 -10.660 8.133 1.00 0.00 H new ATOM 698 N LEU A 43 90.017 -6.214 7.609 1.00 0.00 N ATOM 699 CA LEU A 43 90.904 -5.277 6.946 1.00 0.00 C ATOM 700 C LEU A 43 92.315 -5.840 6.897 1.00 0.00 C ATOM 701 O LEU A 43 92.972 -5.995 7.931 1.00 0.00 O ATOM 702 CB LEU A 43 90.900 -3.926 7.659 1.00 0.00 C ATOM 703 CG LEU A 43 89.628 -3.102 7.468 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.696 -1.826 8.290 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.427 -2.781 5.993 1.00 0.00 C ATOM 0 H LEU A 43 90.129 -6.254 8.622 1.00 0.00 H new ATOM 0 HA LEU A 43 90.545 -5.126 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.050 -4.094 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.750 -3.342 7.306 1.00 0.00 H new ATOM 0 HG LEU A 43 88.776 -3.687 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.783 -1.250 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.801 -2.078 9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.554 -1.234 7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.517 -2.193 5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 43 90.280 -2.211 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.340 -3.709 5.427 1.00 0.00 H new ATOM 717 N LYS A 44 92.767 -6.162 5.698 1.00 0.00 N ATOM 718 CA LYS A 44 94.088 -6.729 5.506 1.00 0.00 C ATOM 719 C LYS A 44 94.990 -5.682 4.866 1.00 0.00 C ATOM 720 O LYS A 44 94.549 -4.920 4.013 1.00 0.00 O ATOM 721 CB LYS A 44 93.991 -7.985 4.633 1.00 0.00 C ATOM 722 CG LYS A 44 92.971 -8.991 5.155 1.00 0.00 C ATOM 723 CD LYS A 44 92.811 -10.179 4.222 1.00 0.00 C ATOM 724 CE LYS A 44 91.669 -11.086 4.664 1.00 0.00 C ATOM 725 NZ LYS A 44 91.891 -11.670 6.019 1.00 0.00 N ATOM 0 H LYS A 44 92.233 -6.039 4.837 1.00 0.00 H new ATOM 0 HA LYS A 44 94.515 -7.019 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 44 93.722 -7.696 3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 44 94.970 -8.461 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.280 -9.343 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.007 -8.497 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 44 92.624 -9.824 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 44 93.740 -10.749 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 44 90.739 -10.518 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 44 91.549 -11.892 3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 91.050 -12.209 6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 92.716 -12.303 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 92.063 -10.905 6.703 1.00 0.00 H new ATOM 739 N THR A 45 96.234 -5.620 5.297 1.00 0.00 N ATOM 740 CA THR A 45 97.137 -4.578 4.837 1.00 0.00 C ATOM 741 C THR A 45 98.443 -5.155 4.312 1.00 0.00 C ATOM 742 O THR A 45 98.818 -6.279 4.655 1.00 0.00 O ATOM 743 CB THR A 45 97.439 -3.588 5.977 1.00 0.00 C ATOM 744 OG1 THR A 45 97.633 -4.303 7.203 1.00 0.00 O ATOM 745 CG2 THR A 45 96.307 -2.591 6.145 1.00 0.00 C ATOM 0 H THR A 45 96.644 -6.275 5.963 1.00 0.00 H new ATOM 0 HA THR A 45 96.639 -4.057 4.019 1.00 0.00 H new ATOM 0 HB THR A 45 98.347 -3.042 5.722 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.826 -3.669 7.925 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.545 -1.903 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 45 96.176 -2.029 5.220 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.385 -3.123 6.379 1.00 0.00 H new ATOM 753 N TYR A 46 99.124 -4.392 3.467 1.00 0.00 N ATOM 754 CA TYR A 46 100.455 -4.757 3.014 1.00 0.00 C ATOM 755 C TYR A 46 101.347 -3.522 2.987 1.00 0.00 C ATOM 756 O TYR A 46 100.917 -2.441 2.575 1.00 0.00 O ATOM 757 CB TYR A 46 100.418 -5.445 1.637 1.00 0.00 C ATOM 758 CG TYR A 46 100.072 -4.548 0.463 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.752 -4.286 0.123 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.074 -3.983 -0.320 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.436 -3.484 -0.958 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.767 -3.182 -1.404 1.00 0.00 C ATOM 763 CZ TYR A 46 99.448 -2.935 -1.719 1.00 0.00 C ATOM 764 OH TYR A 46 99.139 -2.140 -2.800 1.00 0.00 O ATOM 0 H TYR A 46 98.773 -3.515 3.082 1.00 0.00 H new ATOM 0 HA TYR A 46 100.871 -5.478 3.718 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.392 -5.897 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.692 -6.257 1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 46 97.957 -4.717 0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.109 -4.173 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.403 -3.288 -1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.557 -2.752 -2.001 1.00 0.00 H new ATOM 0 HH TYR A 46 99.966 -1.833 -3.227 1.00 0.00 H new ATOM 774 N VAL A 47 102.570 -3.676 3.465 1.00 0.00 N ATOM 775 CA VAL A 47 103.514 -2.571 3.515 1.00 0.00 C ATOM 776 C VAL A 47 104.471 -2.640 2.334 1.00 0.00 C ATOM 777 O VAL A 47 105.168 -3.639 2.146 1.00 0.00 O ATOM 778 CB VAL A 47 104.319 -2.573 4.833 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.289 -1.401 4.877 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.382 -2.541 6.032 1.00 0.00 C ATOM 0 H VAL A 47 102.934 -4.558 3.825 1.00 0.00 H new ATOM 0 HA VAL A 47 102.939 -1.646 3.466 1.00 0.00 H new ATOM 0 HB VAL A 47 104.900 -3.494 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 47 105.845 -1.424 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 47 105.985 -1.473 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.733 -0.466 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 47 103.967 -2.543 6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 47 102.771 -1.639 5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 47 102.735 -3.418 6.012 1.00 0.00 H new ATOM 790 N ILE A 48 104.495 -1.582 1.542 1.00 0.00 N ATOM 791 CA ILE A 48 105.360 -1.522 0.379 1.00 0.00 C ATOM 792 C ILE A 48 106.561 -0.618 0.654 1.00 0.00 C ATOM 793 O ILE A 48 106.415 0.513 1.130 1.00 0.00 O ATOM 794 CB ILE A 48 104.590 -1.040 -0.877 1.00 0.00 C ATOM 795 CG1 ILE A 48 105.521 -0.963 -2.092 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.921 0.305 -0.626 1.00 0.00 C ATOM 797 CD1 ILE A 48 104.810 -0.602 -3.380 1.00 0.00 C ATOM 0 H ILE A 48 103.922 -0.750 1.685 1.00 0.00 H new ATOM 0 HA ILE A 48 105.720 -2.531 0.178 1.00 0.00 H new ATOM 0 HB ILE A 48 103.810 -1.770 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 48 106.299 -0.224 -1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 48 106.019 -1.924 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 48 103.388 0.619 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 48 103.217 0.212 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 48 104.679 1.047 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 48 105.532 -0.566 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 48 104.051 -1.353 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 48 104.335 0.373 -3.272 1.00 0.00 H new ATOM 809 N GLU A 49 107.746 -1.141 0.384 1.00 0.00 N ATOM 810 CA GLU A 49 108.983 -0.406 0.598 1.00 0.00 C ATOM 811 C GLU A 49 109.277 0.462 -0.621 1.00 0.00 C ATOM 812 O GLU A 49 109.471 -0.056 -1.725 1.00 0.00 O ATOM 813 CB GLU A 49 110.136 -1.388 0.828 1.00 0.00 C ATOM 814 CG GLU A 49 111.334 -0.786 1.544 1.00 0.00 C ATOM 815 CD GLU A 49 111.049 -0.496 3.004 1.00 0.00 C ATOM 816 OE1 GLU A 49 110.653 -1.432 3.733 1.00 0.00 O ATOM 817 OE2 GLU A 49 111.244 0.655 3.438 1.00 0.00 O ATOM 0 H GLU A 49 107.878 -2.082 0.012 1.00 0.00 H new ATOM 0 HA GLU A 49 108.878 0.231 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.768 -2.234 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.462 -1.780 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 49 112.179 -1.470 1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 49 111.627 0.137 1.044 1.00 0.00 H new ATOM 1177 N LYS A 72 107.990 3.550 4.089 1.00 0.00 N ATOM 1178 CA LYS A 72 107.179 2.355 4.210 1.00 0.00 C ATOM 1179 C LYS A 72 105.702 2.715 4.158 1.00 0.00 C ATOM 1180 O LYS A 72 105.125 3.185 5.141 1.00 0.00 O ATOM 1181 CB LYS A 72 107.528 1.623 5.507 1.00 0.00 C ATOM 1182 CG LYS A 72 109.024 1.390 5.657 1.00 0.00 C ATOM 1183 CD LYS A 72 109.375 0.676 6.949 1.00 0.00 C ATOM 1184 CE LYS A 72 110.882 0.621 7.150 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.573 -0.073 6.030 1.00 0.00 N ATOM 0 HA LYS A 72 107.389 1.688 3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.166 2.202 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 72 107.010 0.664 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.383 0.803 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.543 2.348 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 72 108.911 1.190 7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 72 108.970 -0.336 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.272 1.635 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.104 0.107 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.520 -0.373 6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.021 -0.907 5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.662 0.576 5.222 1.00 0.00 H new ATOM 1199 N ILE A 73 105.108 2.526 2.991 1.00 0.00 N ATOM 1200 CA ILE A 73 103.713 2.870 2.771 1.00 0.00 C ATOM 1201 C ILE A 73 102.829 1.651 3.013 1.00 0.00 C ATOM 1202 O ILE A 73 103.136 0.551 2.554 1.00 0.00 O ATOM 1203 CB ILE A 73 103.499 3.411 1.339 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.387 4.641 1.112 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.035 3.755 1.100 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.320 5.193 -0.294 1.00 0.00 C ATOM 0 H ILE A 73 105.576 2.132 2.174 1.00 0.00 H new ATOM 0 HA ILE A 73 103.437 3.654 3.476 1.00 0.00 H new ATOM 0 HB ILE A 73 103.779 2.635 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.095 5.423 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.420 4.378 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.911 4.133 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.425 2.861 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.719 4.517 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.974 6.061 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.642 4.428 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.296 5.489 -0.520 1.00 0.00 H new ATOM 1218 N LYS A 74 101.739 1.843 3.734 1.00 0.00 N ATOM 1219 CA LYS A 74 100.888 0.737 4.126 1.00 0.00 C ATOM 1220 C LYS A 74 99.505 0.865 3.500 1.00 0.00 C ATOM 1221 O LYS A 74 98.702 1.721 3.883 1.00 0.00 O ATOM 1222 CB LYS A 74 100.797 0.672 5.651 1.00 0.00 C ATOM 1223 CG LYS A 74 99.923 -0.455 6.177 1.00 0.00 C ATOM 1224 CD LYS A 74 100.080 -0.619 7.682 1.00 0.00 C ATOM 1225 CE LYS A 74 99.822 0.685 8.424 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.984 0.535 9.894 1.00 0.00 N ATOM 0 H LYS A 74 101.423 2.756 4.060 1.00 0.00 H new ATOM 0 HA LYS A 74 101.327 -0.192 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 74 101.801 0.558 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.408 1.621 6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 74 98.879 -0.251 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.188 -1.387 5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 74 99.389 -1.383 8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 74 101.087 -0.971 7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 74 100.508 1.450 8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 74 98.812 1.032 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.799 1.447 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 99.312 -0.176 10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 100.955 0.229 10.107 1.00 0.00 H new ATOM 1240 N LYS A 75 99.239 0.012 2.526 1.00 0.00 N ATOM 1241 CA LYS A 75 97.963 0.009 1.832 1.00 0.00 C ATOM 1242 C LYS A 75 97.039 -1.040 2.444 1.00 0.00 C ATOM 1243 O LYS A 75 97.501 -2.065 2.948 1.00 0.00 O ATOM 1244 CB LYS A 75 98.169 -0.273 0.339 1.00 0.00 C ATOM 1245 CG LYS A 75 99.007 0.772 -0.387 1.00 0.00 C ATOM 1246 CD LYS A 75 98.317 2.127 -0.417 1.00 0.00 C ATOM 1247 CE LYS A 75 99.103 3.145 -1.233 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.238 2.740 -2.660 1.00 0.00 N ATOM 0 H LYS A 75 99.897 -0.694 2.195 1.00 0.00 H new ATOM 0 HA LYS A 75 97.503 0.991 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.647 -1.246 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.194 -0.340 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 75 99.975 0.868 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 75 99.199 0.439 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 75 97.318 2.017 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.194 2.495 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 75 98.606 4.114 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 75 100.094 3.270 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 99.563 3.552 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 99.929 1.967 -2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 98.316 2.418 -3.018 1.00 0.00 H new ATOM 1262 N VAL A 76 95.741 -0.777 2.404 1.00 0.00 N ATOM 1263 CA VAL A 76 94.751 -1.692 2.955 1.00 0.00 C ATOM 1264 C VAL A 76 93.884 -2.256 1.835 1.00 0.00 C ATOM 1265 O VAL A 76 93.572 -1.554 0.872 1.00 0.00 O ATOM 1266 CB VAL A 76 93.860 -0.997 4.016 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.096 0.171 3.413 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.899 -1.988 4.658 1.00 0.00 C ATOM 0 H VAL A 76 95.346 0.069 1.993 1.00 0.00 H new ATOM 0 HA VAL A 76 95.284 -2.505 3.448 1.00 0.00 H new ATOM 0 HB VAL A 76 94.518 -0.607 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.480 0.638 4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.801 0.903 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.458 -0.189 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.286 -1.473 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.256 -2.420 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.466 -2.781 5.145 1.00 0.00 H new ATOM 1278 N TYR A 77 93.517 -3.524 1.951 1.00 0.00 N ATOM 1279 CA TYR A 77 92.737 -4.186 0.923 1.00 0.00 C ATOM 1280 C TYR A 77 91.873 -5.294 1.514 1.00 0.00 C ATOM 1281 O TYR A 77 92.134 -5.789 2.613 1.00 0.00 O ATOM 1282 CB TYR A 77 93.666 -4.774 -0.147 1.00 0.00 C ATOM 1283 CG TYR A 77 94.570 -5.885 0.352 1.00 0.00 C ATOM 1284 CD1 TYR A 77 95.739 -5.599 1.047 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.252 -7.220 0.129 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.564 -6.610 1.502 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.072 -8.235 0.584 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.227 -7.924 1.269 1.00 0.00 C ATOM 1289 OH TYR A 77 97.046 -8.933 1.727 1.00 0.00 O ATOM 0 H TYR A 77 93.749 -4.114 2.750 1.00 0.00 H new ATOM 0 HA TYR A 77 92.081 -3.443 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.059 -5.157 -0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.284 -3.974 -0.554 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.007 -4.570 1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.349 -7.468 -0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.470 -6.370 2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 77 94.809 -9.267 0.404 1.00 0.00 H new ATOM 0 HH TYR A 77 96.664 -9.801 1.481 1.00 0.00 H new ATOM 1299 N PHE A 78 90.835 -5.661 0.782 1.00 0.00 N ATOM 1300 CA PHE A 78 90.074 -6.859 1.083 1.00 0.00 C ATOM 1301 C PHE A 78 89.883 -7.652 -0.202 1.00 0.00 C ATOM 1302 O PHE A 78 89.802 -7.072 -1.288 1.00 0.00 O ATOM 1303 CB PHE A 78 88.730 -6.539 1.759 1.00 0.00 C ATOM 1304 CG PHE A 78 87.769 -5.720 0.938 1.00 0.00 C ATOM 1305 CD1 PHE A 78 86.879 -6.333 0.068 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.738 -4.341 1.058 1.00 0.00 C ATOM 1307 CE1 PHE A 78 85.982 -5.585 -0.668 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.843 -3.587 0.321 1.00 0.00 C ATOM 1309 CZ PHE A 78 85.964 -4.209 -0.542 1.00 0.00 C ATOM 0 H PHE A 78 90.499 -5.142 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 78 90.631 -7.461 1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.244 -7.478 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.929 -6.008 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.888 -7.408 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 78 88.420 -3.849 1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 78 85.295 -6.075 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.832 -2.512 0.421 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.264 -3.622 -1.118 1.00 0.00 H new ATOM 1319 N GLU A 79 89.832 -8.969 -0.083 1.00 0.00 N ATOM 1320 CA GLU A 79 89.771 -9.838 -1.250 1.00 0.00 C ATOM 1321 C GLU A 79 88.358 -10.347 -1.477 1.00 0.00 C ATOM 1322 O GLU A 79 87.658 -10.714 -0.533 1.00 0.00 O ATOM 1323 CB GLU A 79 90.725 -11.017 -1.079 1.00 0.00 C ATOM 1324 CG GLU A 79 92.188 -10.613 -1.016 1.00 0.00 C ATOM 1325 CD GLU A 79 93.088 -11.770 -0.656 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.276 -12.675 -1.497 1.00 0.00 O ATOM 1327 OE2 GLU A 79 93.610 -11.791 0.478 1.00 0.00 O ATOM 0 H GLU A 79 89.832 -9.461 0.810 1.00 0.00 H new ATOM 0 HA GLU A 79 90.071 -9.256 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.466 -11.554 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.584 -11.711 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.492 -10.206 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.311 -9.818 -0.281 1.00 0.00 H new ATOM 1334 N THR A 80 87.943 -10.357 -2.732 1.00 0.00 N ATOM 1335 CA THR A 80 86.625 -10.840 -3.099 1.00 0.00 C ATOM 1336 C THR A 80 86.666 -12.329 -3.436 1.00 0.00 C ATOM 1337 O THR A 80 87.708 -12.976 -3.305 1.00 0.00 O ATOM 1338 CB THR A 80 86.080 -10.063 -4.310 1.00 0.00 C ATOM 1339 OG1 THR A 80 86.951 -10.238 -5.436 1.00 0.00 O ATOM 1340 CG2 THR A 80 85.951 -8.584 -3.992 1.00 0.00 C ATOM 0 H THR A 80 88.506 -10.033 -3.519 1.00 0.00 H new ATOM 0 HA THR A 80 85.967 -10.685 -2.244 1.00 0.00 H new ATOM 0 HB THR A 80 85.091 -10.455 -4.549 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.416 -10.368 -6.247 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.564 -8.057 -4.864 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.267 -8.450 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 80 86.929 -8.182 -3.730 1.00 0.00 H new ATOM 1348 N LEU A 81 85.532 -12.862 -3.880 1.00 0.00 N ATOM 1349 CA LEU A 81 85.447 -14.254 -4.313 1.00 0.00 C ATOM 1350 C LEU A 81 86.386 -14.502 -5.492 1.00 0.00 C ATOM 1351 O LEU A 81 86.938 -15.591 -5.649 1.00 0.00 O ATOM 1352 CB LEU A 81 84.005 -14.589 -4.709 1.00 0.00 C ATOM 1353 CG LEU A 81 83.777 -16.014 -5.218 1.00 0.00 C ATOM 1354 CD1 LEU A 81 84.118 -17.024 -4.138 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.339 -16.192 -5.676 1.00 0.00 C ATOM 0 H LEU A 81 84.654 -12.348 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 81 85.749 -14.898 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.361 -14.423 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 81 83.687 -13.890 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 81 84.434 -16.184 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.950 -18.032 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 81 85.164 -16.913 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.485 -16.853 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 81 82.195 -17.211 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.665 -16.003 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.124 -15.490 -6.482 1.00 0.00 H new ATOM 1367 N ASP A 82 86.578 -13.464 -6.295 1.00 0.00 N ATOM 1368 CA ASP A 82 87.411 -13.531 -7.491 1.00 0.00 C ATOM 1369 C ASP A 82 88.888 -13.418 -7.125 1.00 0.00 C ATOM 1370 O ASP A 82 89.755 -13.480 -7.995 1.00 0.00 O ATOM 1371 CB ASP A 82 87.059 -12.386 -8.452 1.00 0.00 C ATOM 1372 CG ASP A 82 85.642 -11.867 -8.288 1.00 0.00 C ATOM 1373 OD1 ASP A 82 85.326 -11.326 -7.206 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.854 -11.949 -9.248 1.00 0.00 O ATOM 0 H ASP A 82 86.159 -12.548 -6.136 1.00 0.00 H new ATOM 0 HA ASP A 82 87.225 -14.491 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.758 -11.564 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 82 87.195 -12.729 -9.478 1.00 0.00 H new ATOM 1379 N ASN A 83 89.155 -13.240 -5.828 1.00 0.00 N ATOM 1380 CA ASN A 83 90.511 -13.034 -5.304 1.00 0.00 C ATOM 1381 C ASN A 83 91.035 -11.658 -5.700 1.00 0.00 C ATOM 1382 O ASN A 83 92.243 -11.423 -5.733 1.00 0.00 O ATOM 1383 CB ASN A 83 91.493 -14.117 -5.777 1.00 0.00 C ATOM 1384 CG ASN A 83 91.087 -15.514 -5.352 1.00 0.00 C ATOM 1385 OD1 ASN A 83 91.299 -15.914 -4.206 1.00 0.00 O ATOM 1386 ND2 ASN A 83 90.532 -16.279 -6.281 1.00 0.00 N ATOM 0 H ASN A 83 88.434 -13.235 -5.107 1.00 0.00 H new ATOM 0 HA ASN A 83 90.441 -13.101 -4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.568 -14.082 -6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.485 -13.897 -5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 83 90.263 -17.238 -6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 83 90.374 -15.909 -7.218 1.00 0.00 H new ATOM 1393 N VAL A 84 90.118 -10.746 -5.983 1.00 0.00 N ATOM 1394 CA VAL A 84 90.487 -9.391 -6.347 1.00 0.00 C ATOM 1395 C VAL A 84 90.668 -8.536 -5.100 1.00 0.00 C ATOM 1396 O VAL A 84 89.789 -8.474 -4.241 1.00 0.00 O ATOM 1397 CB VAL A 84 89.439 -8.746 -7.281 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.754 -7.277 -7.521 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.382 -9.492 -8.603 1.00 0.00 C ATOM 0 H VAL A 84 89.113 -10.922 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 84 91.432 -9.443 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 84 88.466 -8.811 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.001 -6.847 -8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.750 -6.744 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.737 -7.186 -7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.640 -9.027 -9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.359 -9.454 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.106 -10.531 -8.423 1.00 0.00 H new ATOM 1409 N ARG A 85 91.824 -7.899 -5.004 1.00 0.00 N ATOM 1410 CA ARG A 85 92.150 -7.047 -3.873 1.00 0.00 C ATOM 1411 C ARG A 85 91.625 -5.638 -4.094 1.00 0.00 C ATOM 1412 O ARG A 85 92.124 -4.918 -4.955 1.00 0.00 O ATOM 1413 CB ARG A 85 93.665 -6.980 -3.682 1.00 0.00 C ATOM 1414 CG ARG A 85 94.324 -8.322 -3.428 1.00 0.00 C ATOM 1415 CD ARG A 85 95.828 -8.231 -3.632 1.00 0.00 C ATOM 1416 NE ARG A 85 96.508 -9.496 -3.355 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.387 -10.592 -4.106 1.00 0.00 C ATOM 1418 NH1 ARG A 85 95.598 -10.593 -5.174 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.065 -11.687 -3.788 1.00 0.00 N ATOM 0 H ARG A 85 92.561 -7.958 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 85 91.682 -7.474 -2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.111 -6.532 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.885 -6.317 -2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 85 94.109 -8.651 -2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.906 -9.071 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 85 96.035 -7.928 -4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 85 96.233 -7.455 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 85 97.113 -9.543 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 85 95.079 -9.752 -5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 85 95.511 -11.435 -5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 85 97.676 -11.689 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 85 96.975 -12.527 -4.360 1.00 0.00 H new ATOM 1433 N VAL A 86 90.615 -5.252 -3.339 1.00 0.00 N ATOM 1434 CA VAL A 86 90.156 -3.872 -3.352 1.00 0.00 C ATOM 1435 C VAL A 86 91.046 -3.057 -2.420 1.00 0.00 C ATOM 1436 O VAL A 86 90.989 -3.224 -1.205 1.00 0.00 O ATOM 1437 CB VAL A 86 88.682 -3.756 -2.916 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.208 -2.315 -2.997 1.00 0.00 C ATOM 1439 CG2 VAL A 86 87.802 -4.657 -3.770 1.00 0.00 C ATOM 0 H VAL A 86 90.098 -5.868 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 86 90.220 -3.489 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 86 88.606 -4.081 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.165 -2.257 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 86 88.818 -1.694 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.300 -1.959 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 86 86.765 -4.563 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 86 87.886 -4.362 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.124 -5.692 -3.658 1.00 0.00 H new ATOM 1449 N VAL A 87 91.881 -2.198 -2.995 1.00 0.00 N ATOM 1450 CA VAL A 87 92.965 -1.570 -2.245 1.00 0.00 C ATOM 1451 C VAL A 87 92.811 -0.051 -2.159 1.00 0.00 C ATOM 1452 O VAL A 87 92.289 0.590 -3.071 1.00 0.00 O ATOM 1453 CB VAL A 87 94.340 -1.876 -2.892 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.480 -1.497 -1.959 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.446 -3.338 -3.301 1.00 0.00 C ATOM 0 H VAL A 87 91.829 -1.921 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 87 92.915 -1.990 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 87 94.420 -1.268 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.433 -1.722 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.429 -0.431 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.396 -2.065 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.422 -3.520 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.328 -3.971 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 87 93.664 -3.571 -4.023 1.00 0.00 H new ATOM 1465 N THR A 88 93.271 0.502 -1.046 1.00 0.00 N ATOM 1466 CA THR A 88 93.422 1.939 -0.881 1.00 0.00 C ATOM 1467 C THR A 88 94.487 2.190 0.189 1.00 0.00 C ATOM 1468 O THR A 88 95.089 1.239 0.690 1.00 0.00 O ATOM 1469 CB THR A 88 92.091 2.626 -0.492 1.00 0.00 C ATOM 1470 OG1 THR A 88 92.188 4.042 -0.701 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.731 2.356 0.961 1.00 0.00 C ATOM 0 H THR A 88 93.552 -0.038 -0.227 1.00 0.00 H new ATOM 0 HA THR A 88 93.727 2.372 -1.834 1.00 0.00 H new ATOM 0 HB THR A 88 91.307 2.211 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 88 91.896 4.259 -1.611 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.791 2.853 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 88 91.624 1.282 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 88 92.520 2.739 1.608 1.00 0.00 H new ATOM 1479 N ASP A 89 94.730 3.442 0.541 1.00 0.00 N ATOM 1480 CA ASP A 89 95.737 3.756 1.549 1.00 0.00 C ATOM 1481 C ASP A 89 95.144 3.646 2.952 1.00 0.00 C ATOM 1482 O ASP A 89 94.109 4.240 3.245 1.00 0.00 O ATOM 1483 CB ASP A 89 96.314 5.153 1.326 1.00 0.00 C ATOM 1484 CG ASP A 89 97.371 5.497 2.353 1.00 0.00 C ATOM 1485 OD1 ASP A 89 98.546 5.126 2.156 1.00 0.00 O ATOM 1486 OD2 ASP A 89 97.030 6.123 3.371 1.00 0.00 O ATOM 0 H ASP A 89 94.250 4.253 0.150 1.00 0.00 H new ATOM 0 HA ASP A 89 96.546 3.032 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.746 5.212 0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.511 5.889 1.371 1.00 0.00 H new ATOM 1491 N TYR A 90 95.811 2.892 3.821 1.00 0.00 N ATOM 1492 CA TYR A 90 95.280 2.606 5.151 1.00 0.00 C ATOM 1493 C TYR A 90 95.458 3.795 6.093 1.00 0.00 C ATOM 1494 O TYR A 90 94.736 3.919 7.079 1.00 0.00 O ATOM 1495 CB TYR A 90 95.944 1.352 5.735 1.00 0.00 C ATOM 1496 CG TYR A 90 95.280 0.820 6.995 1.00 0.00 C ATOM 1497 CD1 TYR A 90 93.897 0.698 7.085 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.041 0.426 8.089 1.00 0.00 C ATOM 1499 CE1 TYR A 90 93.295 0.202 8.228 1.00 0.00 C ATOM 1500 CE2 TYR A 90 95.446 -0.071 9.234 1.00 0.00 C ATOM 1501 CZ TYR A 90 94.075 -0.180 9.300 1.00 0.00 C ATOM 1502 OH TYR A 90 93.481 -0.669 10.445 1.00 0.00 O ATOM 0 H TYR A 90 96.719 2.468 3.629 1.00 0.00 H new ATOM 0 HA TYR A 90 94.210 2.422 5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 90 95.941 0.568 4.978 1.00 0.00 H new ATOM 0 HB3 TYR A 90 96.987 1.577 5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.283 0.996 6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.117 0.510 8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 90 92.220 0.114 8.281 1.00 0.00 H new ATOM 0 HE2 TYR A 90 96.055 -0.373 10.074 1.00 0.00 H new ATOM 0 HH TYR A 90 94.173 -0.892 11.102 1.00 0.00 H new ATOM 1512 N SER A 91 96.400 4.675 5.792 1.00 0.00 N ATOM 1513 CA SER A 91 96.610 5.856 6.618 1.00 0.00 C ATOM 1514 C SER A 91 95.467 6.846 6.410 1.00 0.00 C ATOM 1515 O SER A 91 94.895 7.360 7.377 1.00 0.00 O ATOM 1516 CB SER A 91 97.954 6.506 6.291 1.00 0.00 C ATOM 1517 OG SER A 91 98.658 5.743 5.326 1.00 0.00 O ATOM 0 H SER A 91 97.026 4.597 4.991 1.00 0.00 H new ATOM 0 HA SER A 91 96.626 5.556 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 91 97.793 7.517 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.551 6.594 7.198 1.00 0.00 H new ATOM 0 HG SER A 91 98.434 6.065 4.428 1.00 0.00 H new ATOM 1523 N GLU A 92 95.130 7.091 5.146 1.00 0.00 N ATOM 1524 CA GLU A 92 94.002 7.952 4.802 1.00 0.00 C ATOM 1525 C GLU A 92 92.679 7.276 5.156 1.00 0.00 C ATOM 1526 O GLU A 92 91.694 7.943 5.470 1.00 0.00 O ATOM 1527 CB GLU A 92 94.023 8.303 3.311 1.00 0.00 C ATOM 1528 CG GLU A 92 95.139 9.258 2.912 1.00 0.00 C ATOM 1529 CD GLU A 92 94.965 10.648 3.499 1.00 0.00 C ATOM 1530 OE1 GLU A 92 94.008 11.349 3.106 1.00 0.00 O ATOM 1531 OE2 GLU A 92 95.795 11.053 4.344 1.00 0.00 O ATOM 0 H GLU A 92 95.624 6.704 4.341 1.00 0.00 H new ATOM 0 HA GLU A 92 94.094 8.871 5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.123 7.384 2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 92 93.065 8.747 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 92 96.095 8.848 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.177 9.330 1.825 1.00 0.00 H new ATOM 1538 N PHE A 93 92.657 5.950 5.109 1.00 0.00 N ATOM 1539 CA PHE A 93 91.461 5.201 5.468 1.00 0.00 C ATOM 1540 C PHE A 93 91.191 5.312 6.968 1.00 0.00 C ATOM 1541 O PHE A 93 90.066 5.595 7.385 1.00 0.00 O ATOM 1542 CB PHE A 93 91.594 3.734 5.056 1.00 0.00 C ATOM 1543 CG PHE A 93 90.351 2.931 5.304 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.153 3.284 4.705 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.379 1.825 6.136 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.006 2.549 4.932 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.236 1.086 6.366 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.048 1.449 5.763 1.00 0.00 C ATOM 0 H PHE A 93 93.450 5.374 4.827 1.00 0.00 H new ATOM 0 HA PHE A 93 90.616 5.631 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.845 3.683 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.423 3.284 5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.115 4.144 4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.305 1.537 6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.078 2.835 4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.271 0.225 7.017 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.153 0.872 5.942 1.00 0.00 H new ATOM 1558 N GLN A 94 92.231 5.100 7.774 1.00 0.00 N ATOM 1559 CA GLN A 94 92.121 5.271 9.222 1.00 0.00 C ATOM 1560 C GLN A 94 91.750 6.706 9.556 1.00 0.00 C ATOM 1561 O GLN A 94 91.027 6.962 10.512 1.00 0.00 O ATOM 1562 CB GLN A 94 93.434 4.913 9.915 1.00 0.00 C ATOM 1563 CG GLN A 94 93.691 3.423 10.017 1.00 0.00 C ATOM 1564 CD GLN A 94 94.973 3.118 10.760 1.00 0.00 C ATOM 1565 OE1 GLN A 94 94.975 2.949 11.979 1.00 0.00 O ATOM 1566 NE2 GLN A 94 96.076 3.066 10.032 1.00 0.00 N ATOM 0 H GLN A 94 93.154 4.811 7.451 1.00 0.00 H new ATOM 0 HA GLN A 94 91.340 4.600 9.580 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.258 5.377 9.372 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.432 5.340 10.918 1.00 0.00 H new ATOM 0 HG2 GLN A 94 92.854 2.945 10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 94 93.742 2.995 9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 94 96.029 3.212 9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 94 96.974 2.880 10.479 1.00 0.00 H new ATOM 1575 N LYS A 95 92.259 7.627 8.753 1.00 0.00 N ATOM 1576 CA LYS A 95 91.950 9.047 8.870 1.00 0.00 C ATOM 1577 C LYS A 95 90.434 9.255 8.869 1.00 0.00 C ATOM 1578 O LYS A 95 89.880 9.964 9.712 1.00 0.00 O ATOM 1579 CB LYS A 95 92.581 9.759 7.677 1.00 0.00 C ATOM 1580 CG LYS A 95 92.814 11.246 7.836 1.00 0.00 C ATOM 1581 CD LYS A 95 93.379 11.795 6.541 1.00 0.00 C ATOM 1582 CE LYS A 95 94.211 13.044 6.748 1.00 0.00 C ATOM 1583 NZ LYS A 95 94.929 13.411 5.499 1.00 0.00 N ATOM 0 H LYS A 95 92.905 7.410 7.994 1.00 0.00 H new ATOM 0 HA LYS A 95 92.345 9.449 9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 95 93.537 9.283 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 95 91.943 9.603 6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 95 91.880 11.750 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 95 93.505 11.434 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 95 93.992 11.030 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 95 92.560 12.019 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 95 93.568 13.868 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 95 94.929 12.879 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 95.545 14.229 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 95.506 12.606 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 94.239 13.655 4.761 1.00 0.00 H new ATOM 1597 N ILE A 96 89.772 8.601 7.924 1.00 0.00 N ATOM 1598 CA ILE A 96 88.323 8.662 7.807 1.00 0.00 C ATOM 1599 C ILE A 96 87.655 7.943 8.976 1.00 0.00 C ATOM 1600 O ILE A 96 86.632 8.394 9.492 1.00 0.00 O ATOM 1601 CB ILE A 96 87.855 8.042 6.473 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.510 8.779 5.302 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.337 8.085 6.359 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.244 8.143 3.957 1.00 0.00 C ATOM 0 H ILE A 96 90.223 8.016 7.220 1.00 0.00 H new ATOM 0 HA ILE A 96 88.030 9.712 7.828 1.00 0.00 H new ATOM 0 HB ILE A 96 88.160 6.996 6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.150 9.808 5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.587 8.821 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.031 7.643 5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 96 85.894 7.523 7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 96 85.998 9.120 6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.740 8.721 3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.629 7.123 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.171 8.126 3.769 1.00 0.00 H new ATOM 1616 N LEU A 97 88.250 6.838 9.405 1.00 0.00 N ATOM 1617 CA LEU A 97 87.731 6.077 10.536 1.00 0.00 C ATOM 1618 C LEU A 97 87.822 6.893 11.821 1.00 0.00 C ATOM 1619 O LEU A 97 86.979 6.764 12.712 1.00 0.00 O ATOM 1620 CB LEU A 97 88.486 4.754 10.692 1.00 0.00 C ATOM 1621 CG LEU A 97 88.368 3.794 9.505 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.115 2.503 9.793 1.00 0.00 C ATOM 1623 CD2 LEU A 97 86.907 3.504 9.193 1.00 0.00 C ATOM 0 H LEU A 97 89.094 6.447 8.987 1.00 0.00 H new ATOM 0 HA LEU A 97 86.682 5.854 10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.541 4.973 10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.121 4.248 11.586 1.00 0.00 H new ATOM 0 HG LEU A 97 88.817 4.269 8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.022 1.831 8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.168 2.723 9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 97 88.692 2.027 10.678 1.00 0.00 H new ATOM 0 HD21 LEU A 97 86.845 2.820 8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.433 3.049 10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.396 4.435 8.946 1.00 0.00 H new ATOM 1635 N LYS A 98 88.842 7.739 11.910 1.00 0.00 N ATOM 1636 CA LYS A 98 88.978 8.661 13.030 1.00 0.00 C ATOM 1637 C LYS A 98 87.837 9.668 13.011 1.00 0.00 C ATOM 1638 O LYS A 98 87.295 10.031 14.054 1.00 0.00 O ATOM 1639 CB LYS A 98 90.319 9.400 12.980 1.00 0.00 C ATOM 1640 CG LYS A 98 91.532 8.493 13.104 1.00 0.00 C ATOM 1641 CD LYS A 98 92.824 9.295 13.106 1.00 0.00 C ATOM 1642 CE LYS A 98 94.044 8.392 13.173 1.00 0.00 C ATOM 1643 NZ LYS A 98 95.301 9.170 13.325 1.00 0.00 N ATOM 0 H LYS A 98 89.588 7.805 11.218 1.00 0.00 H new ATOM 0 HA LYS A 98 88.941 8.081 13.952 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.384 9.950 12.041 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.346 10.137 13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.461 7.911 14.023 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.544 7.783 12.277 1.00 0.00 H new ATOM 0 HD2 LYS A 98 92.874 9.908 12.206 1.00 0.00 H new ATOM 0 HD3 LYS A 98 92.828 9.977 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 98 93.940 7.703 14.011 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.098 7.787 12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 96.110 8.518 13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 95.414 9.810 12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 95.260 9.728 14.202 1.00 0.00 H new ATOM 1657 N LYS A 99 87.470 10.104 11.811 1.00 0.00 N ATOM 1658 CA LYS A 99 86.367 11.041 11.641 1.00 0.00 C ATOM 1659 C LYS A 99 85.033 10.371 11.969 1.00 0.00 C ATOM 1660 O LYS A 99 84.118 11.019 12.477 1.00 0.00 O ATOM 1661 CB LYS A 99 86.346 11.609 10.217 1.00 0.00 C ATOM 1662 CG LYS A 99 87.645 12.300 9.827 1.00 0.00 C ATOM 1663 CD LYS A 99 87.521 13.118 8.544 1.00 0.00 C ATOM 1664 CE LYS A 99 87.236 12.262 7.316 1.00 0.00 C ATOM 1665 NZ LYS A 99 85.786 11.980 7.140 1.00 0.00 N ATOM 0 H LYS A 99 87.921 9.823 10.941 1.00 0.00 H new ATOM 0 HA LYS A 99 86.518 11.867 12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 99 86.147 10.801 9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 99 85.524 12.319 10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 99 87.961 12.954 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 99 88.426 11.550 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 99 86.722 13.850 8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 99 88.444 13.676 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 99 87.614 12.769 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 99 87.778 11.320 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 85.591 10.992 7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 85.232 12.614 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 85.520 12.137 6.147 1.00 0.00 H new ATOM 1679 N ARG A 100 84.925 9.074 11.680 1.00 0.00 N ATOM 1680 CA ARG A 100 83.729 8.311 12.036 1.00 0.00 C ATOM 1681 C ARG A 100 83.663 8.101 13.546 1.00 0.00 C ATOM 1682 O ARG A 100 82.590 8.170 14.150 1.00 0.00 O ATOM 1683 CB ARG A 100 83.698 6.951 11.315 1.00 0.00 C ATOM 1684 CG ARG A 100 82.505 6.086 11.718 1.00 0.00 C ATOM 1685 CD ARG A 100 82.397 4.807 10.894 1.00 0.00 C ATOM 1686 NE ARG A 100 83.532 3.899 11.093 1.00 0.00 N ATOM 1687 CZ ARG A 100 83.406 2.586 11.329 1.00 0.00 C ATOM 1688 NH1 ARG A 100 82.205 2.039 11.481 1.00 0.00 N ATOM 1689 NH2 ARG A 100 84.488 1.827 11.436 1.00 0.00 N ATOM 0 H ARG A 100 85.646 8.533 11.203 1.00 0.00 H new ATOM 0 HA ARG A 100 82.860 8.886 11.716 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.671 7.118 10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 100 84.620 6.411 11.531 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.590 5.827 12.773 1.00 0.00 H new ATOM 0 HG3 ARG A 100 81.588 6.664 11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 100 81.474 4.289 11.156 1.00 0.00 H new ATOM 0 HD3 ARG A 100 82.328 5.067 9.838 1.00 0.00 H new ATOM 0 HE ARG A 100 84.473 4.290 11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 100 81.369 2.619 11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 100 82.119 1.039 11.660 1.00 0.00 H new ATOM 0 HH21 ARG A 100 85.414 2.243 11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 100 84.394 0.827 11.616 1.00 0.00 H new ATOM 1703 N GLY A 101 84.819 7.858 14.151 1.00 0.00 N ATOM 1704 CA GLY A 101 84.875 7.606 15.576 1.00 0.00 C ATOM 1705 C GLY A 101 84.990 6.127 15.880 1.00 0.00 C ATOM 1706 O GLY A 101 84.429 5.638 16.855 1.00 0.00 O ATOM 0 H GLY A 101 85.722 7.831 13.677 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.727 8.133 16.005 1.00 0.00 H new ATOM 0 HA3 GLY A 101 83.980 8.007 16.052 1.00 0.00 H new