USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 702 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 88 ASN : amide:sc= -0.153 X(o=-0.17,f=-0.11) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= -0.0151 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.122 USER MOD Set 2.2: A 43 THR OG1 : rot -90:sc= -2.69! USER MOD Single : A 18 GLN : amide:sc= -0.0389 X(o=-0.039,f=-0.11) USER MOD Single : A 23 TYR OH : rot 90:sc= -0.654 USER MOD Single : A 28 SER OG : rot -90:sc= 0.853 USER MOD Single : A 33 ASN : amide:sc= -0.479 K(o=-0.48,f=-2.7!) USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= -0.0817 (180deg=-0.68) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 33:sc= 0.0686 USER MOD Single : A 60 THR OG1 : rot -55:sc= 1.24 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0109 (180deg=-0.108) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.198 F(o=-2.5,f=-0.2) USER MOD Single : A 67 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.66) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -158:sc= -0.22 (180deg=-0.898) USER MOD Single : A 74 HIS : no HE2:sc= -12.3! C(o=-12!,f=-18!) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= -0.587 (180deg=-0.777) USER MOD Single : A 79 TYR OH : rot -140:sc= 0.886 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 171:sc= -0.349 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 96 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=-0.28) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 44:sc= 0.769 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 169:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.684 -9.453 -14.426 1.00 0.00 N ATOM 2 CA LEU A 17 2.445 -8.537 -13.544 1.00 0.00 C ATOM 3 C LEU A 17 3.882 -9.005 -13.439 1.00 0.00 C ATOM 4 O LEU A 17 4.376 -9.304 -12.369 1.00 0.00 O ATOM 5 CB LEU A 17 1.815 -8.523 -12.136 1.00 0.00 C ATOM 6 CG LEU A 17 2.110 -7.183 -11.434 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.165 -7.036 -10.246 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.558 -7.155 -10.933 1.00 0.00 C ATOM 0 HA LEU A 17 2.416 -7.533 -13.967 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.738 -8.674 -12.210 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.212 -9.347 -11.544 1.00 0.00 H new ATOM 0 HG LEU A 17 1.965 -6.365 -12.139 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.362 -6.091 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.133 -7.051 -10.598 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.323 -7.861 -9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.754 -6.203 -10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.714 -7.970 -10.226 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.237 -7.272 -11.777 1.00 0.00 H new ATOM 22 N GLN A 18 4.528 -9.067 -14.554 1.00 0.00 N ATOM 23 CA GLN A 18 5.934 -9.510 -14.550 1.00 0.00 C ATOM 24 C GLN A 18 6.747 -8.569 -13.716 1.00 0.00 C ATOM 25 O GLN A 18 7.442 -8.960 -12.799 1.00 0.00 O ATOM 26 CB GLN A 18 6.458 -9.451 -15.988 1.00 0.00 C ATOM 27 CG GLN A 18 6.662 -10.861 -16.505 1.00 0.00 C ATOM 28 CD GLN A 18 7.907 -11.464 -15.851 1.00 0.00 C ATOM 29 OE1 GLN A 18 8.993 -10.928 -15.947 1.00 0.00 O ATOM 30 NE2 GLN A 18 7.794 -12.574 -15.175 1.00 0.00 N ATOM 0 H GLN A 18 4.144 -8.830 -15.469 1.00 0.00 H new ATOM 0 HA GLN A 18 6.006 -10.521 -14.148 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.751 -8.917 -16.623 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.397 -8.899 -16.023 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.788 -11.472 -16.282 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.776 -10.850 -17.589 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.885 -13.029 -15.090 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.614 -12.987 -14.731 1.00 0.00 H new ATOM 39 N ASP A 19 6.637 -7.340 -14.062 1.00 0.00 N ATOM 40 CA ASP A 19 7.374 -6.292 -13.339 1.00 0.00 C ATOM 41 C ASP A 19 6.500 -5.080 -13.139 1.00 0.00 C ATOM 42 O ASP A 19 6.801 -4.210 -12.348 1.00 0.00 O ATOM 43 CB ASP A 19 8.562 -5.886 -14.189 1.00 0.00 C ATOM 44 CG ASP A 19 9.859 -6.162 -13.427 1.00 0.00 C ATOM 45 OD1 ASP A 19 10.103 -5.422 -12.489 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.533 -7.096 -13.827 1.00 0.00 O ATOM 0 H ASP A 19 6.056 -7.005 -14.831 1.00 0.00 H new ATOM 0 HA ASP A 19 7.688 -6.672 -12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.556 -6.439 -15.128 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.496 -4.828 -14.442 1.00 0.00 H new ATOM 51 N ALA A 20 5.424 -5.045 -13.863 1.00 0.00 N ATOM 52 CA ALA A 20 4.495 -3.889 -13.741 1.00 0.00 C ATOM 53 C ALA A 20 5.252 -2.576 -13.956 1.00 0.00 C ATOM 54 O ALA A 20 6.438 -2.587 -14.225 1.00 0.00 O ATOM 55 CB ALA A 20 3.895 -3.888 -12.322 1.00 0.00 C ATOM 0 H ALA A 20 5.145 -5.762 -14.533 1.00 0.00 H new ATOM 0 HA ALA A 20 3.710 -3.977 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.211 -3.046 -12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.353 -4.819 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.696 -3.799 -11.588 1.00 0.00 H new ATOM 61 N GLU A 21 4.552 -1.467 -13.831 1.00 0.00 N ATOM 62 CA GLU A 21 5.220 -0.143 -14.025 1.00 0.00 C ATOM 63 C GLU A 21 5.236 0.643 -12.723 1.00 0.00 C ATOM 64 O GLU A 21 6.267 1.122 -12.295 1.00 0.00 O ATOM 65 CB GLU A 21 4.420 0.658 -15.064 1.00 0.00 C ATOM 66 CG GLU A 21 3.904 -0.290 -16.145 1.00 0.00 C ATOM 67 CD GLU A 21 3.487 0.527 -17.370 1.00 0.00 C ATOM 68 OE1 GLU A 21 4.363 1.187 -17.905 1.00 0.00 O ATOM 69 OE2 GLU A 21 2.317 0.446 -17.701 1.00 0.00 O ATOM 0 H GLU A 21 3.558 -1.426 -13.605 1.00 0.00 H new ATOM 0 HA GLU A 21 6.245 -0.307 -14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.585 1.168 -14.583 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.050 1.428 -15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.678 -1.007 -16.417 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.057 -0.863 -15.769 1.00 0.00 H new ATOM 76 N TRP A 22 4.090 0.760 -12.118 1.00 0.00 N ATOM 77 CA TRP A 22 4.009 1.512 -10.839 1.00 0.00 C ATOM 78 C TRP A 22 4.862 0.850 -9.775 1.00 0.00 C ATOM 79 O TRP A 22 5.403 1.503 -8.903 1.00 0.00 O ATOM 80 CB TRP A 22 2.555 1.516 -10.373 1.00 0.00 C ATOM 81 CG TRP A 22 1.652 1.060 -11.541 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.174 1.875 -12.458 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.299 -0.184 -11.788 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.504 1.067 -13.294 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.535 -0.258 -12.940 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.577 -1.337 -11.089 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.062 -1.472 -13.378 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.099 -2.543 -11.529 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.347 -2.610 -12.672 1.00 0.00 C ATOM 0 H TRP A 22 3.209 0.369 -12.452 1.00 0.00 H new ATOM 0 HA TRP A 22 4.371 2.528 -10.997 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.431 0.850 -9.519 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.268 2.514 -10.043 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.294 2.946 -12.522 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.014 1.408 -14.121 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.174 -1.291 -10.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.533 -1.528 -14.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.316 -3.443 -10.973 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.023 -3.564 -13.018 1.00 0.00 H new ATOM 100 N TYR A 23 4.961 -0.434 -9.869 1.00 0.00 N ATOM 101 CA TYR A 23 5.767 -1.191 -8.886 1.00 0.00 C ATOM 102 C TYR A 23 7.204 -1.313 -9.363 1.00 0.00 C ATOM 103 O TYR A 23 7.460 -1.620 -10.511 1.00 0.00 O ATOM 104 CB TYR A 23 5.150 -2.597 -8.754 1.00 0.00 C ATOM 105 CG TYR A 23 3.652 -2.527 -8.305 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.044 -1.336 -7.849 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.883 -3.673 -8.352 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.720 -1.333 -7.467 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.557 -3.653 -7.964 1.00 0.00 C ATOM 110 CZ TYR A 23 0.970 -2.487 -7.520 1.00 0.00 C ATOM 111 OH TYR A 23 -0.354 -2.476 -7.132 1.00 0.00 O ATOM 0 H TYR A 23 4.515 -1.000 -10.591 1.00 0.00 H new ATOM 0 HA TYR A 23 5.766 -0.674 -7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.221 -3.117 -9.709 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.721 -3.179 -8.031 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.620 -0.424 -7.800 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.324 -4.597 -8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.266 -0.416 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.974 -4.561 -8.009 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.920 -2.269 -7.905 1.00 0.00 H new ATOM 121 N TRP A 24 8.118 -1.065 -8.470 1.00 0.00 N ATOM 122 CA TRP A 24 9.541 -1.155 -8.840 1.00 0.00 C ATOM 123 C TRP A 24 10.050 -2.561 -8.604 1.00 0.00 C ATOM 124 O TRP A 24 11.211 -2.848 -8.812 1.00 0.00 O ATOM 125 CB TRP A 24 10.360 -0.209 -7.933 1.00 0.00 C ATOM 126 CG TRP A 24 9.959 1.283 -8.132 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.731 1.726 -8.439 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.787 2.303 -7.964 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.859 3.055 -8.443 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.126 3.505 -8.154 1.00 0.00 C ATOM 131 CE3 TRP A 24 12.145 2.320 -7.646 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.796 4.695 -8.035 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.812 3.521 -7.529 1.00 0.00 C ATOM 134 CH2 TRP A 24 12.142 4.706 -7.723 1.00 0.00 C ATOM 0 H TRP A 24 7.934 -0.804 -7.501 1.00 0.00 H new ATOM 0 HA TRP A 24 9.647 -0.885 -9.891 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.211 -0.488 -6.890 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.422 -0.331 -8.147 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.844 1.143 -8.637 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.082 3.684 -8.644 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.675 1.392 -7.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.270 5.626 -8.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.864 3.531 -7.284 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.668 5.645 -7.632 1.00 0.00 H new ATOM 145 N GLY A 25 9.167 -3.413 -8.176 1.00 0.00 N ATOM 146 CA GLY A 25 9.572 -4.814 -7.913 1.00 0.00 C ATOM 147 C GLY A 25 9.836 -4.975 -6.424 1.00 0.00 C ATOM 148 O GLY A 25 10.634 -5.789 -6.010 1.00 0.00 O ATOM 0 H GLY A 25 8.186 -3.200 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.788 -5.500 -8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.467 -5.062 -8.484 1.00 0.00 H new ATOM 152 N ASP A 26 9.151 -4.178 -5.653 1.00 0.00 N ATOM 153 CA ASP A 26 9.317 -4.234 -4.177 1.00 0.00 C ATOM 154 C ASP A 26 10.682 -3.701 -3.759 1.00 0.00 C ATOM 155 O ASP A 26 11.709 -4.165 -4.223 1.00 0.00 O ATOM 156 CB ASP A 26 9.157 -5.700 -3.719 1.00 0.00 C ATOM 157 CG ASP A 26 10.521 -6.296 -3.358 1.00 0.00 C ATOM 158 OD1 ASP A 26 11.045 -5.874 -2.342 1.00 0.00 O ATOM 159 OD2 ASP A 26 10.959 -7.146 -4.114 1.00 0.00 O ATOM 0 H ASP A 26 8.479 -3.486 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 26 8.559 -3.608 -3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.492 -5.748 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.694 -6.287 -4.512 1.00 0.00 H new ATOM 164 N ILE A 27 10.662 -2.712 -2.895 1.00 0.00 N ATOM 165 CA ILE A 27 11.944 -2.116 -2.420 1.00 0.00 C ATOM 166 C ILE A 27 11.895 -1.894 -0.900 1.00 0.00 C ATOM 167 O ILE A 27 11.679 -2.822 -0.146 1.00 0.00 O ATOM 168 CB ILE A 27 12.193 -0.746 -3.136 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.944 0.179 -3.081 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.568 -1.001 -4.613 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.740 -0.418 -3.847 1.00 0.00 C ATOM 0 H ILE A 27 9.817 -2.297 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 27 12.756 -2.803 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 27 13.006 -0.243 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.664 0.347 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.195 1.152 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.742 -0.049 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.474 -1.606 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.753 -1.529 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.892 0.264 -3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.009 -0.561 -4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.469 -1.378 -3.408 1.00 0.00 H new ATOM 183 N SER A 28 12.093 -0.675 -0.484 1.00 0.00 N ATOM 184 CA SER A 28 12.063 -0.375 0.962 1.00 0.00 C ATOM 185 C SER A 28 11.655 1.074 1.179 1.00 0.00 C ATOM 186 O SER A 28 11.390 1.787 0.233 1.00 0.00 O ATOM 187 CB SER A 28 13.474 -0.586 1.531 1.00 0.00 C ATOM 188 OG SER A 28 14.101 0.681 1.386 1.00 0.00 O ATOM 0 H SER A 28 12.274 0.125 -1.090 1.00 0.00 H new ATOM 0 HA SER A 28 11.347 -1.029 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.440 -0.896 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.012 -1.361 0.985 1.00 0.00 H new ATOM 0 HG SER A 28 14.548 0.727 0.515 1.00 0.00 H new ATOM 194 N ARG A 29 11.612 1.492 2.410 1.00 0.00 N ATOM 195 CA ARG A 29 11.223 2.889 2.676 1.00 0.00 C ATOM 196 C ARG A 29 12.309 3.830 2.208 1.00 0.00 C ATOM 197 O ARG A 29 12.097 5.013 2.082 1.00 0.00 O ATOM 198 CB ARG A 29 11.030 3.061 4.188 1.00 0.00 C ATOM 199 CG ARG A 29 12.259 2.506 4.917 1.00 0.00 C ATOM 200 CD ARG A 29 11.849 1.289 5.756 1.00 0.00 C ATOM 201 NE ARG A 29 13.019 0.842 6.564 1.00 0.00 N ATOM 202 CZ ARG A 29 13.361 1.522 7.623 1.00 0.00 C ATOM 203 NH1 ARG A 29 12.445 1.820 8.504 1.00 0.00 N ATOM 204 NH2 ARG A 29 14.607 1.882 7.766 1.00 0.00 N ATOM 0 H ARG A 29 11.828 0.929 3.232 1.00 0.00 H new ATOM 0 HA ARG A 29 10.301 3.118 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.892 4.114 4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.131 2.538 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.026 2.222 4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.693 3.274 5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.016 1.546 6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.508 0.482 5.108 1.00 0.00 H new ATOM 0 HE ARG A 29 13.547 0.013 6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.481 1.522 8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.694 2.351 9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.295 1.631 7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.893 2.414 8.588 1.00 0.00 H new ATOM 218 N GLU A 30 13.457 3.288 1.957 1.00 0.00 N ATOM 219 CA GLU A 30 14.567 4.141 1.497 1.00 0.00 C ATOM 220 C GLU A 30 14.321 4.621 0.078 1.00 0.00 C ATOM 221 O GLU A 30 14.376 5.801 -0.193 1.00 0.00 O ATOM 222 CB GLU A 30 15.857 3.317 1.527 1.00 0.00 C ATOM 223 CG GLU A 30 16.048 2.758 2.931 1.00 0.00 C ATOM 224 CD GLU A 30 17.539 2.535 3.191 1.00 0.00 C ATOM 225 OE1 GLU A 30 18.015 1.498 2.759 1.00 0.00 O ATOM 226 OE2 GLU A 30 18.118 3.416 3.806 1.00 0.00 O ATOM 0 H GLU A 30 13.673 2.295 2.050 1.00 0.00 H new ATOM 0 HA GLU A 30 14.646 5.010 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.804 2.505 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.708 3.938 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.638 3.449 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.505 1.819 3.038 1.00 0.00 H new ATOM 233 N GLU A 31 14.042 3.701 -0.807 1.00 0.00 N ATOM 234 CA GLU A 31 13.791 4.102 -2.208 1.00 0.00 C ATOM 235 C GLU A 31 12.398 4.706 -2.342 1.00 0.00 C ATOM 236 O GLU A 31 12.231 5.786 -2.883 1.00 0.00 O ATOM 237 CB GLU A 31 13.889 2.849 -3.092 1.00 0.00 C ATOM 238 CG GLU A 31 15.306 2.269 -2.987 1.00 0.00 C ATOM 239 CD GLU A 31 16.138 2.736 -4.185 1.00 0.00 C ATOM 240 OE1 GLU A 31 16.708 3.808 -4.061 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.156 1.995 -5.153 1.00 0.00 O ATOM 0 H GLU A 31 13.979 2.701 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 31 14.525 4.847 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.155 2.108 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.662 3.101 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.775 2.591 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.264 1.180 -2.962 1.00 0.00 H new ATOM 248 N VAL A 32 11.418 4.003 -1.836 1.00 0.00 N ATOM 249 CA VAL A 32 10.032 4.522 -1.923 1.00 0.00 C ATOM 250 C VAL A 32 9.988 5.973 -1.443 1.00 0.00 C ATOM 251 O VAL A 32 9.676 6.874 -2.197 1.00 0.00 O ATOM 252 CB VAL A 32 9.142 3.668 -0.997 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.910 4.480 -0.581 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.687 2.407 -1.746 1.00 0.00 C ATOM 0 H VAL A 32 11.521 3.101 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 32 9.683 4.474 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 32 9.709 3.384 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.281 3.877 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.228 5.378 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.344 4.763 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.058 1.803 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.120 2.694 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.560 1.828 -2.047 1.00 0.00 H new ATOM 264 N ASN A 33 10.306 6.160 -0.191 1.00 0.00 N ATOM 265 CA ASN A 33 10.296 7.535 0.384 1.00 0.00 C ATOM 266 C ASN A 33 11.141 8.500 -0.441 1.00 0.00 C ATOM 267 O ASN A 33 10.630 9.453 -0.994 1.00 0.00 O ATOM 268 CB ASN A 33 10.898 7.466 1.794 1.00 0.00 C ATOM 269 CG ASN A 33 10.593 8.765 2.543 1.00 0.00 C ATOM 270 OD1 ASN A 33 10.868 9.850 2.066 1.00 0.00 O ATOM 271 ND2 ASN A 33 10.027 8.701 3.717 1.00 0.00 N ATOM 0 H ASN A 33 10.572 5.420 0.458 1.00 0.00 H new ATOM 0 HA ASN A 33 9.268 7.896 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.485 6.615 2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.975 7.313 1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.817 9.558 4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.794 7.794 4.122 1.00 0.00 H new ATOM 278 N GLU A 34 12.424 8.229 -0.491 1.00 0.00 N ATOM 279 CA GLU A 34 13.353 9.108 -1.269 1.00 0.00 C ATOM 280 C GLU A 34 12.699 9.669 -2.518 1.00 0.00 C ATOM 281 O GLU A 34 13.040 10.745 -2.969 1.00 0.00 O ATOM 282 CB GLU A 34 14.571 8.274 -1.699 1.00 0.00 C ATOM 283 CG GLU A 34 15.552 8.167 -0.526 1.00 0.00 C ATOM 284 CD GLU A 34 16.467 9.392 -0.519 1.00 0.00 C ATOM 285 OE1 GLU A 34 17.187 9.537 -1.492 1.00 0.00 O ATOM 286 OE2 GLU A 34 16.395 10.115 0.461 1.00 0.00 O ATOM 0 H GLU A 34 12.867 7.437 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 34 13.638 9.943 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.253 7.280 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.060 8.738 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.006 8.101 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.145 7.257 -0.615 1.00 0.00 H new ATOM 293 N LYS A 35 11.776 8.940 -3.055 1.00 0.00 N ATOM 294 CA LYS A 35 11.097 9.430 -4.274 1.00 0.00 C ATOM 295 C LYS A 35 9.864 10.241 -3.945 1.00 0.00 C ATOM 296 O LYS A 35 9.640 11.296 -4.503 1.00 0.00 O ATOM 297 CB LYS A 35 10.670 8.230 -5.107 1.00 0.00 C ATOM 298 CG LYS A 35 11.476 8.218 -6.403 1.00 0.00 C ATOM 299 CD LYS A 35 11.088 9.425 -7.268 1.00 0.00 C ATOM 300 CE LYS A 35 12.357 10.185 -7.681 1.00 0.00 C ATOM 301 NZ LYS A 35 13.319 9.271 -8.361 1.00 0.00 N ATOM 0 H LYS A 35 11.463 8.033 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 35 11.795 10.069 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.835 7.307 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.604 8.283 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.542 8.247 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.290 7.293 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.545 9.093 -8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.420 10.084 -6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.095 11.006 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.826 10.626 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.846 9.799 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.984 8.884 -7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.798 8.491 -8.811 1.00 0.00 H new ATOM 315 N LEU A 36 9.093 9.738 -3.048 1.00 0.00 N ATOM 316 CA LEU A 36 7.860 10.454 -2.657 1.00 0.00 C ATOM 317 C LEU A 36 8.166 11.721 -1.861 1.00 0.00 C ATOM 318 O LEU A 36 7.263 12.411 -1.436 1.00 0.00 O ATOM 319 CB LEU A 36 7.026 9.516 -1.773 1.00 0.00 C ATOM 320 CG LEU A 36 5.946 8.840 -2.619 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.611 7.935 -3.659 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.053 7.997 -1.703 1.00 0.00 C ATOM 0 H LEU A 36 9.259 8.857 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 36 7.326 10.743 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.669 8.763 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.567 10.079 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 36 5.345 9.594 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.844 7.451 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.257 8.533 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.206 7.175 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.279 7.510 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.657 7.240 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.587 8.640 -0.957 1.00 0.00 H new ATOM 334 N ARG A 37 9.426 12.013 -1.672 1.00 0.00 N ATOM 335 CA ARG A 37 9.771 13.239 -0.901 1.00 0.00 C ATOM 336 C ARG A 37 9.963 14.434 -1.824 1.00 0.00 C ATOM 337 O ARG A 37 9.965 15.568 -1.384 1.00 0.00 O ATOM 338 CB ARG A 37 11.077 12.976 -0.111 1.00 0.00 C ATOM 339 CG ARG A 37 12.303 13.054 -1.041 1.00 0.00 C ATOM 340 CD ARG A 37 12.999 14.411 -0.842 1.00 0.00 C ATOM 341 NE ARG A 37 14.183 14.493 -1.743 1.00 0.00 N ATOM 342 CZ ARG A 37 14.997 15.512 -1.645 1.00 0.00 C ATOM 343 NH1 ARG A 37 14.756 16.431 -0.748 1.00 0.00 N ATOM 344 NH2 ARG A 37 16.027 15.578 -2.445 1.00 0.00 N ATOM 0 H ARG A 37 10.217 11.466 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 37 8.952 13.470 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.176 13.707 0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.032 11.993 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.995 12.241 -0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.995 12.938 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.306 15.224 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.309 14.525 0.197 1.00 0.00 H new ATOM 0 HE ARG A 37 14.357 13.760 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.943 16.347 -0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.381 17.232 -0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.187 14.842 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.672 16.366 -2.382 1.00 0.00 H new ATOM 358 N ASP A 38 10.120 14.148 -3.089 1.00 0.00 N ATOM 359 CA ASP A 38 10.316 15.240 -4.083 1.00 0.00 C ATOM 360 C ASP A 38 9.348 15.093 -5.254 1.00 0.00 C ATOM 361 O ASP A 38 9.453 15.791 -6.241 1.00 0.00 O ATOM 362 CB ASP A 38 11.756 15.142 -4.616 1.00 0.00 C ATOM 363 CG ASP A 38 12.052 16.347 -5.510 1.00 0.00 C ATOM 364 OD1 ASP A 38 11.780 17.444 -5.052 1.00 0.00 O ATOM 365 OD2 ASP A 38 12.538 16.102 -6.603 1.00 0.00 O ATOM 0 H ASP A 38 10.121 13.204 -3.476 1.00 0.00 H new ATOM 0 HA ASP A 38 10.133 16.201 -3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.461 15.110 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.885 14.218 -5.179 1.00 0.00 H new ATOM 370 N THR A 39 8.419 14.182 -5.122 1.00 0.00 N ATOM 371 CA THR A 39 7.437 13.976 -6.218 1.00 0.00 C ATOM 372 C THR A 39 6.319 15.012 -6.152 1.00 0.00 C ATOM 373 O THR A 39 6.372 15.935 -5.364 1.00 0.00 O ATOM 374 CB THR A 39 6.819 12.585 -6.057 1.00 0.00 C ATOM 375 OG1 THR A 39 6.189 12.312 -7.293 1.00 0.00 O ATOM 376 CG2 THR A 39 5.670 12.613 -5.035 1.00 0.00 C ATOM 0 H THR A 39 8.301 13.578 -4.308 1.00 0.00 H new ATOM 0 HA THR A 39 7.950 14.074 -7.174 1.00 0.00 H new ATOM 0 HB THR A 39 7.585 11.872 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.770 11.427 -7.258 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.246 11.614 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.051 12.942 -4.068 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.898 13.303 -5.375 1.00 0.00 H new ATOM 384 N ALA A 40 5.324 14.837 -6.983 1.00 0.00 N ATOM 385 CA ALA A 40 4.194 15.801 -6.982 1.00 0.00 C ATOM 386 C ALA A 40 3.320 15.603 -5.751 1.00 0.00 C ATOM 387 O ALA A 40 3.744 15.019 -4.772 1.00 0.00 O ATOM 388 CB ALA A 40 3.336 15.553 -8.240 1.00 0.00 C ATOM 0 H ALA A 40 5.249 14.074 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 40 4.593 16.815 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.501 16.253 -8.255 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.947 15.698 -9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.953 14.532 -8.224 1.00 0.00 H new ATOM 394 N ASP A 41 2.112 16.090 -5.828 1.00 0.00 N ATOM 395 CA ASP A 41 1.181 15.949 -4.680 1.00 0.00 C ATOM 396 C ASP A 41 0.198 14.824 -4.955 1.00 0.00 C ATOM 397 O ASP A 41 -0.995 15.037 -5.033 1.00 0.00 O ATOM 398 CB ASP A 41 0.407 17.269 -4.521 1.00 0.00 C ATOM 399 CG ASP A 41 -0.354 17.256 -3.195 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.448 16.720 -3.205 1.00 0.00 O ATOM 401 OD2 ASP A 41 0.205 17.780 -2.244 1.00 0.00 O ATOM 0 H ASP A 41 1.732 16.579 -6.638 1.00 0.00 H new ATOM 0 HA ASP A 41 1.739 15.722 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.096 18.113 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.288 17.398 -5.351 1.00 0.00 H new ATOM 406 N GLY A 42 0.726 13.643 -5.096 1.00 0.00 N ATOM 407 CA GLY A 42 -0.142 12.471 -5.369 1.00 0.00 C ATOM 408 C GLY A 42 0.663 11.424 -6.131 1.00 0.00 C ATOM 409 O GLY A 42 0.885 11.568 -7.308 1.00 0.00 O ATOM 0 H GLY A 42 1.724 13.440 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.514 12.052 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.012 12.774 -5.951 1.00 0.00 H new ATOM 413 N THR A 43 1.108 10.401 -5.437 1.00 0.00 N ATOM 414 CA THR A 43 1.903 9.346 -6.126 1.00 0.00 C ATOM 415 C THR A 43 1.536 7.950 -5.618 1.00 0.00 C ATOM 416 O THR A 43 0.845 7.819 -4.630 1.00 0.00 O ATOM 417 CB THR A 43 3.360 9.618 -5.793 1.00 0.00 C ATOM 418 OG1 THR A 43 3.485 11.025 -5.812 1.00 0.00 O ATOM 419 CG2 THR A 43 4.276 9.139 -6.909 1.00 0.00 C ATOM 0 H THR A 43 0.956 10.256 -4.439 1.00 0.00 H new ATOM 0 HA THR A 43 1.707 9.373 -7.198 1.00 0.00 H new ATOM 0 HB THR A 43 3.621 9.130 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.726 11.320 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.313 9.347 -6.643 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.146 8.066 -7.051 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.027 9.660 -7.833 1.00 0.00 H new ATOM 427 N PHE A 44 2.011 6.916 -6.298 1.00 0.00 N ATOM 428 CA PHE A 44 1.670 5.541 -5.826 1.00 0.00 C ATOM 429 C PHE A 44 2.557 4.452 -6.419 1.00 0.00 C ATOM 430 O PHE A 44 2.763 4.379 -7.614 1.00 0.00 O ATOM 431 CB PHE A 44 0.212 5.246 -6.200 1.00 0.00 C ATOM 432 CG PHE A 44 0.085 5.030 -7.706 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.080 6.109 -8.564 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.110 3.757 -8.227 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.123 5.924 -9.911 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.311 3.581 -9.574 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.318 4.660 -10.414 1.00 0.00 C ATOM 0 H PHE A 44 2.599 6.970 -7.130 1.00 0.00 H new ATOM 0 HA PHE A 44 1.830 5.525 -4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.135 4.360 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.425 6.074 -5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.236 7.105 -8.176 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.103 2.901 -7.569 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.129 6.775 -10.576 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.464 2.588 -9.971 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.477 4.519 -11.473 1.00 0.00 H new ATOM 447 N LEU A 45 3.065 3.617 -5.537 1.00 0.00 N ATOM 448 CA LEU A 45 3.943 2.503 -5.965 1.00 0.00 C ATOM 449 C LEU A 45 3.812 1.343 -4.975 1.00 0.00 C ATOM 450 O LEU A 45 2.958 1.377 -4.109 1.00 0.00 O ATOM 451 CB LEU A 45 5.412 2.978 -6.016 1.00 0.00 C ATOM 452 CG LEU A 45 5.680 4.042 -4.939 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.467 3.438 -3.551 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.133 4.502 -5.050 1.00 0.00 C ATOM 0 H LEU A 45 2.900 3.670 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 45 3.643 2.171 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.079 2.129 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.632 3.388 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 45 5.000 4.881 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.658 4.196 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.440 3.085 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.151 2.601 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.335 5.257 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.797 3.650 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.306 4.927 -6.039 1.00 0.00 H new ATOM 466 N VAL A 46 4.656 0.339 -5.110 1.00 0.00 N ATOM 467 CA VAL A 46 4.573 -0.828 -4.166 1.00 0.00 C ATOM 468 C VAL A 46 5.753 -0.843 -3.193 1.00 0.00 C ATOM 469 O VAL A 46 6.817 -0.334 -3.481 1.00 0.00 O ATOM 470 CB VAL A 46 4.552 -2.146 -5.016 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.541 -3.186 -4.466 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.143 -2.756 -4.965 1.00 0.00 C ATOM 0 H VAL A 46 5.386 0.278 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 46 3.664 -0.746 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 46 4.837 -1.891 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.500 -4.087 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.551 -2.776 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.274 -3.434 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.122 -3.673 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.882 -2.983 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.424 -2.046 -5.373 1.00 0.00 H new ATOM 482 N ARG A 47 5.515 -1.433 -2.049 1.00 0.00 N ATOM 483 CA ARG A 47 6.558 -1.523 -1.013 1.00 0.00 C ATOM 484 C ARG A 47 6.554 -2.936 -0.409 1.00 0.00 C ATOM 485 O ARG A 47 5.535 -3.401 0.056 1.00 0.00 O ATOM 486 CB ARG A 47 6.208 -0.477 0.080 1.00 0.00 C ATOM 487 CG ARG A 47 6.881 -0.813 1.438 1.00 0.00 C ATOM 488 CD ARG A 47 8.404 -0.911 1.274 1.00 0.00 C ATOM 489 NE ARG A 47 8.995 -1.351 2.566 1.00 0.00 N ATOM 490 CZ ARG A 47 8.661 -0.735 3.665 1.00 0.00 C ATOM 491 NH1 ARG A 47 7.633 -1.167 4.345 1.00 0.00 N ATOM 492 NH2 ARG A 47 9.366 0.294 4.047 1.00 0.00 N ATOM 0 H ARG A 47 4.624 -1.860 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 47 7.547 -1.328 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.527 0.512 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.127 -0.436 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.637 -0.044 2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.489 -1.755 1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.654 -1.619 0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.815 0.055 0.980 1.00 0.00 H new ATOM 0 HE ARG A 47 9.656 -2.128 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.105 -1.975 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.358 -0.697 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.162 0.603 3.489 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.121 0.790 4.904 1.00 0.00 H new ATOM 506 N ASP A 48 7.691 -3.592 -0.441 1.00 0.00 N ATOM 507 CA ASP A 48 7.768 -4.975 0.128 1.00 0.00 C ATOM 508 C ASP A 48 6.942 -5.110 1.397 1.00 0.00 C ATOM 509 O ASP A 48 6.957 -4.244 2.250 1.00 0.00 O ATOM 510 CB ASP A 48 9.227 -5.281 0.456 1.00 0.00 C ATOM 511 CG ASP A 48 9.289 -6.326 1.572 1.00 0.00 C ATOM 512 OD1 ASP A 48 8.567 -7.300 1.441 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.057 -6.092 2.491 1.00 0.00 O ATOM 0 H ASP A 48 8.561 -3.233 -0.833 1.00 0.00 H new ATOM 0 HA ASP A 48 7.371 -5.673 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.741 -5.650 -0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.740 -4.371 0.766 1.00 0.00 H new ATOM 518 N ALA A 49 6.231 -6.203 1.498 1.00 0.00 N ATOM 519 CA ALA A 49 5.394 -6.419 2.703 1.00 0.00 C ATOM 520 C ALA A 49 6.186 -7.114 3.802 1.00 0.00 C ATOM 521 O ALA A 49 6.448 -6.530 4.835 1.00 0.00 O ATOM 522 CB ALA A 49 4.213 -7.320 2.315 1.00 0.00 C ATOM 0 H ALA A 49 6.197 -6.947 0.801 1.00 0.00 H new ATOM 0 HA ALA A 49 5.054 -5.452 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.584 -7.492 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.626 -6.835 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.589 -8.274 1.946 1.00 0.00 H new ATOM 616 N ASP A 56 2.193 -10.314 0.336 1.00 0.00 N ATOM 617 CA ASP A 56 2.701 -9.912 -1.002 1.00 0.00 C ATOM 618 C ASP A 56 3.455 -8.585 -0.911 1.00 0.00 C ATOM 619 O ASP A 56 4.669 -8.562 -0.933 1.00 0.00 O ATOM 620 CB ASP A 56 1.499 -9.762 -1.953 1.00 0.00 C ATOM 621 CG ASP A 56 1.671 -10.714 -3.138 1.00 0.00 C ATOM 622 OD1 ASP A 56 1.788 -11.897 -2.871 1.00 0.00 O ATOM 623 OD2 ASP A 56 1.675 -10.202 -4.244 1.00 0.00 O ATOM 0 HA ASP A 56 3.388 -10.671 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.572 -9.985 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.426 -8.733 -2.306 1.00 0.00 H new ATOM 628 N TYR A 57 2.727 -7.500 -0.816 1.00 0.00 N ATOM 629 CA TYR A 57 3.398 -6.192 -0.725 1.00 0.00 C ATOM 630 C TYR A 57 2.579 -5.204 0.090 1.00 0.00 C ATOM 631 O TYR A 57 1.712 -5.580 0.853 1.00 0.00 O ATOM 632 CB TYR A 57 3.570 -5.642 -2.139 1.00 0.00 C ATOM 633 CG TYR A 57 4.311 -6.675 -2.983 1.00 0.00 C ATOM 634 CD1 TYR A 57 5.673 -6.786 -2.904 1.00 0.00 C ATOM 635 CD2 TYR A 57 3.619 -7.555 -3.772 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.341 -7.766 -3.591 1.00 0.00 C ATOM 637 CE2 TYR A 57 4.282 -8.539 -4.466 1.00 0.00 C ATOM 638 CZ TYR A 57 5.651 -8.655 -4.381 1.00 0.00 C ATOM 639 OH TYR A 57 6.316 -9.642 -5.075 1.00 0.00 O ATOM 0 H TYR A 57 1.707 -7.475 -0.799 1.00 0.00 H new ATOM 0 HA TYR A 57 4.361 -6.325 -0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.597 -5.423 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.127 -4.705 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.229 -6.092 -2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.545 -7.475 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.415 -7.840 -3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.724 -9.227 -5.083 1.00 0.00 H new ATOM 0 HH TYR A 57 5.670 -10.179 -5.580 1.00 0.00 H new ATOM 649 N THR A 58 2.870 -3.957 -0.100 1.00 0.00 N ATOM 650 CA THR A 58 2.146 -2.909 0.632 1.00 0.00 C ATOM 651 C THR A 58 1.992 -1.683 -0.248 1.00 0.00 C ATOM 652 O THR A 58 2.962 -1.044 -0.604 1.00 0.00 O ATOM 653 CB THR A 58 2.968 -2.552 1.872 1.00 0.00 C ATOM 654 OG1 THR A 58 2.397 -3.303 2.923 1.00 0.00 O ATOM 655 CG2 THR A 58 2.760 -1.090 2.290 1.00 0.00 C ATOM 0 H THR A 58 3.589 -3.620 -0.740 1.00 0.00 H new ATOM 0 HA THR A 58 1.154 -3.259 0.918 1.00 0.00 H new ATOM 0 HB THR A 58 4.023 -2.736 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.056 -4.152 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.360 -0.875 3.174 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.064 -0.432 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.707 -0.923 2.517 1.00 0.00 H new ATOM 663 N LEU A 59 0.782 -1.384 -0.605 1.00 0.00 N ATOM 664 CA LEU A 59 0.557 -0.204 -1.464 1.00 0.00 C ATOM 665 C LEU A 59 0.801 1.085 -0.695 1.00 0.00 C ATOM 666 O LEU A 59 0.193 1.326 0.323 1.00 0.00 O ATOM 667 CB LEU A 59 -0.903 -0.232 -1.950 1.00 0.00 C ATOM 668 CG LEU A 59 -0.942 -0.512 -3.464 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.485 -1.954 -3.744 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.382 -0.354 -3.965 1.00 0.00 C ATOM 0 H LEU A 59 -0.055 -1.903 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 59 1.250 -0.237 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.460 -1.001 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.386 0.721 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.280 0.188 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.516 -2.144 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.534 -2.090 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.149 -2.652 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.418 -0.551 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.028 -1.061 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.725 0.662 -3.771 1.00 0.00 H new ATOM 682 N THR A 60 1.697 1.891 -1.213 1.00 0.00 N ATOM 683 CA THR A 60 2.017 3.182 -0.543 1.00 0.00 C ATOM 684 C THR A 60 1.836 4.323 -1.522 1.00 0.00 C ATOM 685 O THR A 60 2.186 4.203 -2.681 1.00 0.00 O ATOM 686 CB THR A 60 3.477 3.145 -0.071 1.00 0.00 C ATOM 687 OG1 THR A 60 3.410 2.858 1.311 1.00 0.00 O ATOM 688 CG2 THR A 60 4.126 4.546 -0.139 1.00 0.00 C ATOM 0 H THR A 60 2.218 1.707 -2.070 1.00 0.00 H new ATOM 0 HA THR A 60 1.352 3.330 0.308 1.00 0.00 H new ATOM 0 HB THR A 60 4.040 2.438 -0.680 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.836 3.517 1.754 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.160 4.485 0.202 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.104 4.908 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.573 5.235 0.500 1.00 0.00 H new ATOM 696 N LEU A 61 1.297 5.418 -1.057 1.00 0.00 N ATOM 697 CA LEU A 61 1.102 6.555 -1.989 1.00 0.00 C ATOM 698 C LEU A 61 1.154 7.887 -1.293 1.00 0.00 C ATOM 699 O LEU A 61 0.860 7.998 -0.125 1.00 0.00 O ATOM 700 CB LEU A 61 -0.286 6.431 -2.699 1.00 0.00 C ATOM 701 CG LEU A 61 -1.312 5.645 -1.851 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.017 6.603 -0.895 1.00 0.00 C ATOM 703 CD2 LEU A 61 -2.352 5.025 -2.784 1.00 0.00 C ATOM 0 H LEU A 61 0.991 5.569 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 61 1.918 6.510 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.676 7.428 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.156 5.934 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.802 4.866 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.741 6.051 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.282 7.068 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.532 7.375 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.082 4.468 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.860 5.814 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.858 4.350 -3.483 1.00 0.00 H new ATOM 715 N ARG A 62 1.531 8.892 -2.036 1.00 0.00 N ATOM 716 CA ARG A 62 1.607 10.221 -1.444 1.00 0.00 C ATOM 717 C ARG A 62 0.220 10.781 -1.370 1.00 0.00 C ATOM 718 O ARG A 62 -0.382 11.055 -2.390 1.00 0.00 O ATOM 719 CB ARG A 62 2.452 11.117 -2.355 1.00 0.00 C ATOM 720 CG ARG A 62 2.892 12.356 -1.576 1.00 0.00 C ATOM 721 CD ARG A 62 3.874 11.960 -0.463 1.00 0.00 C ATOM 722 NE ARG A 62 5.008 12.922 -0.462 1.00 0.00 N ATOM 723 CZ ARG A 62 5.225 13.657 0.593 1.00 0.00 C ATOM 724 NH1 ARG A 62 5.296 13.080 1.761 1.00 0.00 N ATOM 725 NH2 ARG A 62 5.364 14.945 0.445 1.00 0.00 N ATOM 0 H ARG A 62 1.785 8.833 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 62 2.053 10.172 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.324 10.571 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.875 11.410 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.364 13.070 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.022 12.852 -1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.372 11.967 0.504 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.239 10.946 -0.625 1.00 0.00 H new ATOM 0 HE ARG A 62 5.611 13.006 -1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.182 12.069 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.465 13.640 2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.302 15.361 -0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.534 15.536 1.258 1.00 0.00 H new ATOM 739 N LYS A 63 -0.283 10.923 -0.173 1.00 0.00 N ATOM 740 CA LYS A 63 -1.652 11.468 -0.025 1.00 0.00 C ATOM 741 C LYS A 63 -1.639 12.984 0.006 1.00 0.00 C ATOM 742 O LYS A 63 -2.618 13.616 0.352 1.00 0.00 O ATOM 743 CB LYS A 63 -2.259 10.903 1.268 1.00 0.00 C ATOM 744 CG LYS A 63 -1.860 11.788 2.431 1.00 0.00 C ATOM 745 CD LYS A 63 -2.056 11.035 3.764 1.00 0.00 C ATOM 746 CE LYS A 63 -2.922 11.887 4.696 1.00 0.00 C ATOM 747 NZ LYS A 63 -4.324 11.959 4.186 1.00 0.00 N ATOM 0 H LYS A 63 0.193 10.686 0.697 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.257 11.171 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.345 10.858 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.909 9.884 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.818 12.092 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.459 12.698 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.532 10.071 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.090 10.833 4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.915 11.461 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.505 12.891 4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.964 12.216 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.384 12.678 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.601 11.033 3.801 1.00 0.00 H new ATOM 761 N GLY A 64 -0.543 13.537 -0.398 1.00 0.00 N ATOM 762 CA GLY A 64 -0.423 15.024 -0.408 1.00 0.00 C ATOM 763 C GLY A 64 0.953 15.448 0.075 1.00 0.00 C ATOM 764 O GLY A 64 1.752 15.963 -0.682 1.00 0.00 O ATOM 0 H GLY A 64 0.281 13.031 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.594 15.402 -1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.190 15.461 0.231 1.00 0.00 H new ATOM 768 N GLY A 65 1.196 15.222 1.328 1.00 0.00 N ATOM 769 CA GLY A 65 2.516 15.601 1.910 1.00 0.00 C ATOM 770 C GLY A 65 3.061 14.472 2.786 1.00 0.00 C ATOM 771 O GLY A 65 4.092 14.620 3.414 1.00 0.00 O ATOM 0 H GLY A 65 0.541 14.791 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.223 15.822 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.411 16.510 2.502 1.00 0.00 H new ATOM 775 N ASN A 66 2.355 13.368 2.817 1.00 0.00 N ATOM 776 CA ASN A 66 2.815 12.230 3.641 1.00 0.00 C ATOM 777 C ASN A 66 2.598 10.902 2.926 1.00 0.00 C ATOM 778 O ASN A 66 1.567 10.679 2.323 1.00 0.00 O ATOM 779 CB ASN A 66 1.980 12.235 4.917 1.00 0.00 C ATOM 780 CG ASN A 66 2.695 11.428 6.000 1.00 0.00 C ATOM 781 OD1 ASN A 66 2.938 10.163 5.790 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 3.040 11.941 7.046 1.00 0.00 N flip ATOM 0 H ASN A 66 1.485 13.215 2.307 1.00 0.00 H new ATOM 0 HA ASN A 66 3.881 12.335 3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.822 13.259 5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.996 11.809 4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.853 12.929 7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.517 11.383 7.755 1.00 0.00 H new ATOM 789 N ASN A 67 3.578 10.040 3.005 1.00 0.00 N ATOM 790 CA ASN A 67 3.441 8.725 2.338 1.00 0.00 C ATOM 791 C ASN A 67 2.488 7.840 3.124 1.00 0.00 C ATOM 792 O ASN A 67 2.704 7.565 4.287 1.00 0.00 O ATOM 793 CB ASN A 67 4.824 8.045 2.289 1.00 0.00 C ATOM 794 CG ASN A 67 5.801 8.791 3.199 1.00 0.00 C ATOM 795 OD1 ASN A 67 6.529 9.660 2.765 1.00 0.00 O ATOM 796 ND2 ASN A 67 5.850 8.480 4.467 1.00 0.00 N ATOM 0 H ASN A 67 4.457 10.193 3.499 1.00 0.00 H new ATOM 0 HA ASN A 67 3.051 8.871 1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.740 7.005 2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.200 8.037 1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.498 8.967 5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.241 7.751 4.837 1.00 0.00 H new ATOM 803 N LYS A 68 1.453 7.407 2.474 1.00 0.00 N ATOM 804 CA LYS A 68 0.473 6.546 3.149 1.00 0.00 C ATOM 805 C LYS A 68 0.874 5.086 3.017 1.00 0.00 C ATOM 806 O LYS A 68 1.624 4.734 2.127 1.00 0.00 O ATOM 807 CB LYS A 68 -0.860 6.755 2.450 1.00 0.00 C ATOM 808 CG LYS A 68 -1.980 6.764 3.472 1.00 0.00 C ATOM 809 CD LYS A 68 -3.289 6.541 2.733 1.00 0.00 C ATOM 810 CE LYS A 68 -4.459 6.807 3.682 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.433 5.679 3.641 1.00 0.00 N ATOM 0 H LYS A 68 1.248 7.617 1.497 1.00 0.00 H new ATOM 0 HA LYS A 68 0.416 6.795 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.849 7.696 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.027 5.962 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.824 5.983 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.001 7.714 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.349 7.203 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.337 5.519 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.088 6.938 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.957 7.735 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.220 5.876 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.801 5.573 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.958 4.800 3.929 1.00 0.00 H new ATOM 825 N LEU A 69 0.362 4.260 3.906 1.00 0.00 N ATOM 826 CA LEU A 69 0.701 2.811 3.854 1.00 0.00 C ATOM 827 C LEU A 69 -0.556 1.942 3.830 1.00 0.00 C ATOM 828 O LEU A 69 -1.365 1.986 4.736 1.00 0.00 O ATOM 829 CB LEU A 69 1.512 2.474 5.115 1.00 0.00 C ATOM 830 CG LEU A 69 1.861 0.986 5.114 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.363 0.827 5.357 1.00 0.00 C ATOM 832 CD2 LEU A 69 1.091 0.290 6.238 1.00 0.00 C ATOM 0 H LEU A 69 -0.271 4.532 4.658 1.00 0.00 H new ATOM 0 HA LEU A 69 1.267 2.610 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.423 3.072 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.937 2.723 6.007 1.00 0.00 H new ATOM 0 HG LEU A 69 1.593 0.541 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.621 -0.232 5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.915 1.335 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.624 1.265 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.335 -0.772 6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.368 0.731 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.020 0.415 6.077 1.00 0.00 H new ATOM 844 N ILE A 70 -0.686 1.167 2.775 1.00 0.00 N ATOM 845 CA ILE A 70 -1.870 0.272 2.638 1.00 0.00 C ATOM 846 C ILE A 70 -1.407 -1.169 2.441 1.00 0.00 C ATOM 847 O ILE A 70 -0.498 -1.430 1.680 1.00 0.00 O ATOM 848 CB ILE A 70 -2.678 0.708 1.424 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.167 2.133 1.628 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.905 -0.212 1.293 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.060 2.885 0.312 1.00 0.00 C ATOM 0 H ILE A 70 -0.019 1.120 2.005 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.481 0.334 3.538 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.057 0.652 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.199 2.130 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.572 2.629 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.494 0.089 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.575 -1.243 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.516 -0.134 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.409 3.909 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.021 2.896 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.674 2.390 -0.441 1.00 0.00 H new ATOM 863 N LYS A 71 -2.041 -2.079 3.122 1.00 0.00 N ATOM 864 CA LYS A 71 -1.638 -3.502 2.981 1.00 0.00 C ATOM 865 C LYS A 71 -2.360 -4.214 1.838 1.00 0.00 C ATOM 866 O LYS A 71 -3.423 -3.810 1.407 1.00 0.00 O ATOM 867 CB LYS A 71 -1.985 -4.224 4.289 1.00 0.00 C ATOM 868 CG LYS A 71 -1.135 -3.650 5.422 1.00 0.00 C ATOM 869 CD LYS A 71 -1.710 -4.113 6.763 1.00 0.00 C ATOM 870 CE LYS A 71 -0.831 -3.583 7.897 1.00 0.00 C ATOM 871 NZ LYS A 71 0.601 -3.907 7.642 1.00 0.00 N ATOM 0 H LYS A 71 -2.813 -1.902 3.764 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.571 -3.525 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.044 -4.102 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.802 -5.294 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.101 -3.981 5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.127 -2.561 5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.731 -3.751 6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.752 -5.202 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.955 -2.504 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.146 -4.021 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.126 -3.890 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.672 -4.853 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.006 -3.204 6.991 1.00 0.00 H new ATOM 885 N ILE A 72 -1.742 -5.271 1.378 1.00 0.00 N ATOM 886 CA ILE A 72 -2.318 -6.074 0.268 1.00 0.00 C ATOM 887 C ILE A 72 -2.733 -7.438 0.831 1.00 0.00 C ATOM 888 O ILE A 72 -1.929 -8.110 1.446 1.00 0.00 O ATOM 889 CB ILE A 72 -1.204 -6.269 -0.788 1.00 0.00 C ATOM 890 CG1 ILE A 72 -1.240 -5.137 -1.834 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.381 -7.637 -1.493 1.00 0.00 C ATOM 892 CD1 ILE A 72 -2.334 -5.393 -2.891 1.00 0.00 C ATOM 0 H ILE A 72 -0.849 -5.614 1.733 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.183 -5.583 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.240 -6.243 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.425 -4.185 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.269 -5.058 -2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.594 -7.768 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.321 -8.437 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.353 -7.670 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.337 -4.579 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.132 -6.334 -3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.307 -5.447 -2.402 1.00 0.00 H new ATOM 904 N PHE A 73 -3.968 -7.833 0.620 1.00 0.00 N ATOM 905 CA PHE A 73 -4.395 -9.150 1.161 1.00 0.00 C ATOM 906 C PHE A 73 -4.175 -10.259 0.138 1.00 0.00 C ATOM 907 O PHE A 73 -4.946 -10.424 -0.783 1.00 0.00 O ATOM 908 CB PHE A 73 -5.890 -9.075 1.540 1.00 0.00 C ATOM 909 CG PHE A 73 -6.342 -7.603 1.603 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.586 -6.659 2.283 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.489 -7.194 0.947 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.969 -5.334 2.299 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.869 -5.864 0.966 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.107 -4.938 1.641 1.00 0.00 C ATOM 0 H PHE A 73 -4.679 -7.310 0.108 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.796 -9.381 2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.488 -9.617 0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.054 -9.557 2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.690 -6.964 2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.091 -7.917 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.373 -4.607 2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.765 -5.552 0.450 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.404 -3.900 1.653 1.00 0.00 H new ATOM 924 N HIS A 74 -3.104 -10.995 0.331 1.00 0.00 N ATOM 925 CA HIS A 74 -2.773 -12.113 -0.599 1.00 0.00 C ATOM 926 C HIS A 74 -2.937 -13.464 0.107 1.00 0.00 C ATOM 927 O HIS A 74 -3.112 -13.511 1.310 1.00 0.00 O ATOM 928 CB HIS A 74 -1.300 -11.936 -1.011 1.00 0.00 C ATOM 929 CG HIS A 74 -0.642 -13.300 -1.230 1.00 0.00 C ATOM 930 ND1 HIS A 74 0.156 -13.844 -0.437 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.771 -14.185 -2.284 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.549 -14.969 -0.870 1.00 0.00 C ATOM 933 NE2 HIS A 74 0.008 -15.276 -2.049 1.00 0.00 N ATOM 0 H HIS A 74 -2.444 -10.865 1.098 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.437 -12.095 -1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.239 -11.345 -1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.763 -11.385 -0.239 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.454 -13.434 0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.391 -14.035 -3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.244 -15.607 -0.343 1.00 0.00 H new ATOM 941 N ARG A 75 -2.883 -14.540 -0.656 1.00 0.00 N ATOM 942 CA ARG A 75 -3.033 -15.892 -0.040 1.00 0.00 C ATOM 943 C ARG A 75 -1.907 -16.826 -0.471 1.00 0.00 C ATOM 944 O ARG A 75 -1.149 -17.304 0.350 1.00 0.00 O ATOM 945 CB ARG A 75 -4.363 -16.492 -0.502 1.00 0.00 C ATOM 946 CG ARG A 75 -5.282 -16.648 0.710 1.00 0.00 C ATOM 947 CD ARG A 75 -6.574 -17.324 0.270 1.00 0.00 C ATOM 948 NE ARG A 75 -6.490 -18.777 0.584 1.00 0.00 N ATOM 949 CZ ARG A 75 -7.471 -19.563 0.242 1.00 0.00 C ATOM 950 NH1 ARG A 75 -8.460 -19.736 1.076 1.00 0.00 N ATOM 951 NH2 ARG A 75 -7.433 -20.151 -0.923 1.00 0.00 N ATOM 0 H ARG A 75 -2.743 -14.534 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.000 -15.784 1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.829 -15.848 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.196 -17.459 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.791 -17.241 1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.497 -15.673 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.426 -16.877 0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.731 -17.178 -0.799 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.672 -19.154 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.456 -19.260 1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.237 -20.348 0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.644 -19.992 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.193 -20.770 -1.207 1.00 0.00 H new ATOM 965 N ASP A 76 -1.814 -17.073 -1.751 1.00 0.00 N ATOM 966 CA ASP A 76 -0.739 -17.977 -2.241 1.00 0.00 C ATOM 967 C ASP A 76 -0.217 -17.531 -3.600 1.00 0.00 C ATOM 968 O ASP A 76 0.942 -17.719 -3.912 1.00 0.00 O ATOM 969 CB ASP A 76 -1.323 -19.385 -2.382 1.00 0.00 C ATOM 970 CG ASP A 76 -0.340 -20.405 -1.802 1.00 0.00 C ATOM 971 OD1 ASP A 76 -0.241 -20.430 -0.586 1.00 0.00 O ATOM 972 OD2 ASP A 76 0.256 -21.101 -2.607 1.00 0.00 O ATOM 0 H ASP A 76 -2.430 -16.692 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 76 0.087 -17.956 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.278 -19.448 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.517 -19.607 -3.431 1.00 0.00 H new ATOM 977 N GLY A 77 -1.077 -16.951 -4.385 1.00 0.00 N ATOM 978 CA GLY A 77 -0.636 -16.488 -5.728 1.00 0.00 C ATOM 979 C GLY A 77 -1.634 -15.488 -6.305 1.00 0.00 C ATOM 980 O GLY A 77 -1.425 -14.951 -7.375 1.00 0.00 O ATOM 0 H GLY A 77 -2.057 -16.778 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.349 -16.026 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.539 -17.341 -6.399 1.00 0.00 H new ATOM 984 N LYS A 78 -2.700 -15.256 -5.576 1.00 0.00 N ATOM 985 CA LYS A 78 -3.724 -14.303 -6.050 1.00 0.00 C ATOM 986 C LYS A 78 -3.640 -12.990 -5.267 1.00 0.00 C ATOM 987 O LYS A 78 -2.636 -12.712 -4.642 1.00 0.00 O ATOM 988 CB LYS A 78 -5.121 -14.954 -5.853 1.00 0.00 C ATOM 989 CG LYS A 78 -5.050 -16.048 -4.770 1.00 0.00 C ATOM 990 CD LYS A 78 -4.511 -17.347 -5.383 1.00 0.00 C ATOM 991 CE LYS A 78 -5.684 -18.279 -5.688 1.00 0.00 C ATOM 992 NZ LYS A 78 -6.696 -17.581 -6.532 1.00 0.00 N ATOM 0 H LYS A 78 -2.895 -15.691 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.558 -14.076 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.847 -14.194 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.466 -15.385 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.404 -15.724 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.039 -16.218 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.955 -17.130 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.817 -17.829 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.325 -19.170 -6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.144 -18.612 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.436 -18.255 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.125 -16.804 -5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.234 -17.196 -7.381 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.689 -12.199 -5.317 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.662 -10.915 -4.579 1.00 0.00 C ATOM 1008 C TYR A 79 -6.002 -10.608 -3.965 1.00 0.00 C ATOM 1009 O TYR A 79 -7.014 -11.150 -4.362 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.318 -9.801 -5.560 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.825 -9.813 -5.811 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.289 -10.687 -6.720 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.996 -8.944 -5.139 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.936 -10.701 -6.965 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.641 -8.953 -5.378 1.00 0.00 C ATOM 1016 CZ TYR A 79 -0.098 -9.831 -6.294 1.00 0.00 C ATOM 1017 OH TYR A 79 1.260 -9.838 -6.536 1.00 0.00 O ATOM 0 H TYR A 79 -5.547 -12.392 -5.833 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.922 -10.989 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.859 -9.942 -6.496 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.625 -8.836 -5.157 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.935 -11.371 -7.249 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.411 -8.252 -4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.527 -11.395 -7.685 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.002 -8.268 -4.845 1.00 0.00 H new ATOM 0 HH TYR A 79 1.743 -9.723 -5.691 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.982 -9.730 -3.012 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.235 -9.347 -2.333 1.00 0.00 C ATOM 1029 C GLY A 80 -7.287 -7.847 -2.177 1.00 0.00 C ATOM 1030 O GLY A 80 -6.526 -7.277 -1.423 1.00 0.00 O ATOM 0 H GLY A 80 -5.143 -9.259 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.093 -9.693 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.293 -9.827 -1.356 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.170 -7.235 -2.907 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.300 -5.770 -2.824 1.00 0.00 C ATOM 1036 C PHE A 81 -9.746 -5.369 -3.021 1.00 0.00 C ATOM 1037 O PHE A 81 -10.180 -4.329 -2.566 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.452 -5.146 -3.937 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.577 -4.046 -3.333 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.630 -4.349 -2.371 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.756 -2.726 -3.700 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.886 -3.351 -1.783 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -6.009 -1.729 -3.109 1.00 0.00 C ATOM 1044 CZ PHE A 81 -5.075 -2.044 -2.150 1.00 0.00 C ATOM 0 H PHE A 81 -8.807 -7.693 -3.559 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.964 -5.425 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.830 -5.907 -4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.095 -4.733 -4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.473 -5.377 -2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.486 -2.473 -4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.152 -3.599 -1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.158 -0.699 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.491 -1.262 -1.687 1.00 0.00 H new ATOM 1054 N SER A 82 -10.464 -6.209 -3.701 1.00 0.00 N ATOM 1055 CA SER A 82 -11.896 -5.915 -3.953 1.00 0.00 C ATOM 1056 C SER A 82 -12.713 -7.197 -4.023 1.00 0.00 C ATOM 1057 O SER A 82 -13.826 -7.256 -3.539 1.00 0.00 O ATOM 1058 CB SER A 82 -12.018 -5.177 -5.290 1.00 0.00 C ATOM 1059 OG SER A 82 -13.113 -5.807 -5.938 1.00 0.00 O ATOM 0 H SER A 82 -10.122 -7.086 -4.094 1.00 0.00 H new ATOM 0 HA SER A 82 -12.277 -5.304 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.202 -4.113 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.104 -5.264 -5.878 1.00 0.00 H new ATOM 0 HG SER A 82 -13.261 -5.388 -6.811 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.143 -8.197 -4.621 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.866 -9.491 -4.736 1.00 0.00 C ATOM 1067 C ASP A 83 -12.508 -10.410 -3.549 1.00 0.00 C ATOM 1068 O ASP A 83 -11.545 -10.156 -2.852 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.413 -10.170 -6.052 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.624 -10.374 -6.967 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.373 -9.420 -7.096 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -13.733 -11.476 -7.481 1.00 0.00 O ATOM 0 H ASP A 83 -11.211 -8.178 -5.035 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.942 -9.317 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.666 -9.554 -6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.942 -11.129 -5.835 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.327 -11.453 -3.303 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.059 -12.380 -2.199 1.00 0.00 C ATOM 1079 C PRO A 84 -11.806 -13.231 -2.497 1.00 0.00 C ATOM 1080 O PRO A 84 -11.773 -14.420 -2.241 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.320 -13.291 -2.132 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.227 -12.919 -3.338 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.574 -11.723 -4.055 1.00 0.00 C ATOM 0 HA PRO A 84 -12.871 -11.857 -1.262 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.036 -14.343 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.851 -13.142 -1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.328 -13.765 -4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.230 -12.662 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.362 -11.957 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.232 -10.854 -4.051 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.797 -12.590 -3.032 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.541 -13.312 -3.362 1.00 0.00 C ATOM 1093 C LEU A 85 -9.810 -14.442 -4.353 1.00 0.00 C ATOM 1094 O LEU A 85 -9.456 -15.583 -4.128 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.907 -13.869 -2.056 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.932 -12.827 -1.510 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.814 -12.979 -0.001 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.559 -13.047 -2.141 1.00 0.00 C ATOM 0 H LEU A 85 -10.794 -11.594 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.844 -12.617 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.682 -14.085 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.387 -14.806 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.297 -11.828 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.118 -12.235 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.792 -12.834 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.447 -13.977 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.858 -12.306 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.202 -14.047 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.635 -12.945 -3.224 1.00 0.00 H new ATOM 1110 N THR A 86 -10.448 -14.081 -5.443 1.00 0.00 N ATOM 1111 CA THR A 86 -10.769 -15.082 -6.490 1.00 0.00 C ATOM 1112 C THR A 86 -9.985 -14.766 -7.750 1.00 0.00 C ATOM 1113 O THR A 86 -9.471 -15.653 -8.402 1.00 0.00 O ATOM 1114 CB THR A 86 -12.264 -15.005 -6.805 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.541 -13.629 -6.970 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.098 -15.427 -5.587 1.00 0.00 C ATOM 0 H THR A 86 -10.758 -13.130 -5.645 1.00 0.00 H new ATOM 0 HA THR A 86 -10.508 -16.080 -6.137 1.00 0.00 H new ATOM 0 HB THR A 86 -12.496 -15.636 -7.663 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.451 -13.518 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.158 -15.365 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.849 -16.452 -5.313 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.880 -14.764 -4.750 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.899 -13.498 -8.074 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.146 -13.121 -9.286 1.00 0.00 C ATOM 1126 C PHE A 87 -7.681 -13.421 -9.055 1.00 0.00 C ATOM 1127 O PHE A 87 -7.364 -14.405 -8.420 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.355 -11.607 -9.575 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.612 -10.743 -8.544 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.049 -10.671 -7.231 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.509 -9.992 -8.923 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.396 -9.868 -6.318 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.860 -9.192 -8.005 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.304 -9.130 -6.707 1.00 0.00 C ATOM 0 H PHE A 87 -10.315 -12.726 -7.553 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.499 -13.689 -10.147 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.998 -11.372 -10.577 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.419 -11.372 -9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.907 -11.248 -6.920 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.156 -10.034 -9.943 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.744 -9.820 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.000 -8.613 -8.308 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.795 -8.501 -5.992 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.806 -12.590 -9.537 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.361 -12.893 -9.306 1.00 0.00 C ATOM 1146 C ASN A 88 -4.418 -11.826 -9.846 1.00 0.00 C ATOM 1147 O ASN A 88 -3.240 -11.857 -9.542 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.019 -14.223 -10.013 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.624 -14.220 -11.420 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.719 -14.698 -11.639 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -4.941 -13.692 -12.400 1.00 0.00 N ATOM 0 H ASN A 88 -7.012 -11.741 -10.064 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.220 -12.940 -8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.938 -14.350 -10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.409 -15.064 -9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.328 -13.682 -13.344 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.021 -13.289 -12.222 1.00 0.00 H new ATOM 1158 N SER A 89 -4.929 -10.905 -10.626 1.00 0.00 N ATOM 1159 CA SER A 89 -4.026 -9.840 -11.178 1.00 0.00 C ATOM 1160 C SER A 89 -4.378 -8.452 -10.697 1.00 0.00 C ATOM 1161 O SER A 89 -5.520 -8.001 -10.771 1.00 0.00 O ATOM 1162 CB SER A 89 -4.122 -9.846 -12.689 1.00 0.00 C ATOM 1163 OG SER A 89 -5.086 -10.846 -12.981 1.00 0.00 O ATOM 0 H SER A 89 -5.909 -10.841 -10.901 1.00 0.00 H new ATOM 0 HA SER A 89 -3.020 -10.070 -10.828 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.432 -8.873 -13.071 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.160 -10.077 -13.147 1.00 0.00 H new ATOM 0 HG SER A 89 -5.207 -10.910 -13.951 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.374 -7.777 -10.261 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.583 -6.416 -9.768 1.00 0.00 C ATOM 1171 C VAL A 90 -3.508 -5.454 -10.926 1.00 0.00 C ATOM 1172 O VAL A 90 -4.099 -4.396 -10.904 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.488 -6.082 -8.742 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.558 -4.595 -8.395 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -2.724 -6.905 -7.471 1.00 0.00 C ATOM 0 H VAL A 90 -2.412 -8.114 -10.226 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.561 -6.335 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.509 -6.317 -9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.783 -4.354 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.405 -4.003 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.536 -4.366 -7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.951 -6.673 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.702 -6.661 -7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.687 -7.967 -7.713 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.779 -5.848 -11.935 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.653 -4.972 -13.114 1.00 0.00 C ATOM 1187 C VAL A 91 -4.027 -4.741 -13.679 1.00 0.00 C ATOM 1188 O VAL A 91 -4.319 -3.701 -14.231 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.771 -5.686 -14.176 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.171 -4.651 -15.162 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.637 -6.440 -13.465 1.00 0.00 C ATOM 0 H VAL A 91 -2.273 -6.732 -11.986 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.197 -4.021 -12.840 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.386 -6.388 -14.739 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.556 -5.166 -15.900 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.978 -4.121 -15.668 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.557 -3.938 -14.612 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.015 -6.943 -14.205 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.029 -5.734 -12.899 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.062 -7.179 -12.785 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.855 -5.732 -13.526 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.232 -5.613 -14.036 1.00 0.00 C ATOM 1203 C GLU A 92 -7.002 -4.713 -13.105 1.00 0.00 C ATOM 1204 O GLU A 92 -7.712 -3.824 -13.530 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.885 -7.000 -14.049 1.00 0.00 C ATOM 1206 CG GLU A 92 -6.133 -7.895 -15.033 1.00 0.00 C ATOM 1207 CD GLU A 92 -6.812 -7.821 -16.402 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -6.585 -6.821 -17.066 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -7.519 -8.767 -16.709 1.00 0.00 O ATOM 0 H GLU A 92 -4.632 -6.616 -13.069 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.230 -5.203 -15.046 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.862 -7.436 -13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.933 -6.920 -14.338 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.094 -7.576 -15.112 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.124 -8.924 -14.673 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.859 -4.971 -11.831 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.574 -4.134 -10.848 1.00 0.00 C ATOM 1218 C LEU A 93 -7.086 -2.696 -10.974 1.00 0.00 C ATOM 1219 O LEU A 93 -7.810 -1.823 -11.418 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.236 -4.666 -9.442 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.868 -3.775 -8.372 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.731 -4.636 -7.455 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.760 -3.127 -7.542 1.00 0.00 C ATOM 0 H LEU A 93 -6.284 -5.717 -11.441 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.650 -4.167 -11.020 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.600 -5.688 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.155 -4.697 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.477 -3.005 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.186 -4.008 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.514 -5.119 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.111 -5.397 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.204 -2.490 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.161 -3.903 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.124 -2.525 -8.191 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.869 -2.482 -10.564 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.291 -1.122 -10.643 1.00 0.00 C ATOM 1237 C ILE A 94 -5.692 -0.451 -11.955 1.00 0.00 C ATOM 1238 O ILE A 94 -6.052 0.702 -11.972 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.731 -1.263 -10.535 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.136 -0.229 -9.558 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -3.044 -1.086 -11.923 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.760 1.165 -9.772 1.00 0.00 C ATOM 0 H ILE A 94 -5.251 -3.195 -10.177 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.665 -0.496 -9.833 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.539 -2.268 -10.160 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.308 -0.554 -8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.056 -0.172 -9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.965 -1.190 -11.811 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.412 -1.847 -12.611 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.274 -0.097 -12.319 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.320 1.872 -9.069 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.565 1.498 -10.791 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.836 1.111 -9.607 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.638 -1.187 -13.026 1.00 0.00 N ATOM 1255 CA ASN A 95 -6.015 -0.590 -14.327 1.00 0.00 C ATOM 1256 C ASN A 95 -7.431 -0.031 -14.265 1.00 0.00 C ATOM 1257 O ASN A 95 -7.678 1.093 -14.673 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.953 -1.683 -15.408 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.638 -1.179 -16.678 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -7.805 -1.429 -16.908 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -5.949 -0.468 -17.526 1.00 0.00 N ATOM 0 H ASN A 95 -5.352 -2.166 -13.055 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.326 0.221 -14.563 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.916 -1.943 -15.619 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.443 -2.590 -15.053 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.389 -0.124 -18.379 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.969 -0.256 -17.336 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.341 -0.816 -13.744 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.735 -0.334 -13.653 1.00 0.00 C ATOM 1270 C HIS A 96 -9.802 0.937 -12.826 1.00 0.00 C ATOM 1271 O HIS A 96 -10.743 1.694 -12.929 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.589 -1.413 -12.969 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.000 -2.464 -14.001 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -11.480 -2.212 -15.125 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -10.941 -3.844 -13.926 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -11.732 -3.272 -15.774 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -11.419 -4.373 -15.086 1.00 0.00 N ATOM 0 H HIS A 96 -8.174 -1.756 -13.385 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.106 -0.128 -14.657 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.026 -1.881 -12.162 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.474 -0.962 -12.520 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.575 -4.411 -13.083 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -12.152 -3.283 -16.769 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -11.513 -5.352 -15.358 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.790 1.151 -12.017 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.776 2.375 -11.166 1.00 0.00 C ATOM 1287 C TYR A 97 -7.838 3.435 -11.714 1.00 0.00 C ATOM 1288 O TYR A 97 -7.991 4.607 -11.427 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.286 1.981 -9.771 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.415 1.273 -9.026 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.602 1.925 -8.769 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.273 -0.035 -8.625 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.630 1.279 -8.129 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.302 -0.683 -7.982 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.491 -0.031 -7.727 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.524 -0.683 -7.085 1.00 0.00 O ATOM 0 H TYR A 97 -7.983 0.536 -11.913 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.785 2.788 -11.144 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.418 1.326 -9.848 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.969 2.866 -9.220 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.724 2.954 -9.074 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.347 -0.557 -8.816 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.556 1.802 -7.939 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.178 -1.711 -7.674 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.251 -1.601 -6.875 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.889 3.020 -12.487 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.946 3.997 -13.048 1.00 0.00 C ATOM 1308 C ARG A 98 -6.663 4.902 -14.031 1.00 0.00 C ATOM 1309 O ARG A 98 -6.255 6.022 -14.265 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.832 3.225 -13.769 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.650 4.168 -14.048 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.409 3.342 -14.414 1.00 0.00 C ATOM 1313 NE ARG A 98 -1.875 3.830 -15.719 1.00 0.00 N ATOM 1314 CZ ARG A 98 -0.583 3.919 -15.894 1.00 0.00 C ATOM 1315 NH1 ARG A 98 0.180 2.956 -15.455 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.100 4.965 -16.505 1.00 0.00 N ATOM 0 H ARG A 98 -6.728 2.048 -12.753 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.526 4.614 -12.253 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.504 2.384 -13.158 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.209 2.811 -14.704 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.899 4.849 -14.862 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.446 4.781 -13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.650 3.436 -13.637 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.666 2.285 -14.483 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.514 4.092 -16.469 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.234 2.151 -14.984 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.191 3.008 -15.582 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.728 5.697 -16.837 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.906 5.051 -16.650 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.728 4.392 -14.590 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.505 5.194 -15.565 1.00 0.00 C ATOM 1332 C ASN A 99 -9.751 5.772 -14.909 1.00 0.00 C ATOM 1333 O ASN A 99 -10.319 6.733 -15.388 1.00 0.00 O ATOM 1334 CB ASN A 99 -8.941 4.271 -16.697 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.353 4.771 -18.019 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -7.269 4.390 -18.413 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.038 5.623 -18.734 1.00 0.00 N ATOM 0 H ASN A 99 -8.089 3.455 -14.411 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.886 6.012 -15.934 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.606 3.253 -16.500 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.029 4.242 -16.758 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.662 5.965 -19.618 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.949 5.946 -18.408 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.149 5.167 -13.817 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.362 5.651 -13.095 1.00 0.00 C ATOM 1346 C GLU A 100 -11.006 6.332 -11.777 1.00 0.00 C ATOM 1347 O GLU A 100 -10.586 7.470 -11.760 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.256 4.440 -12.801 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.705 3.816 -14.125 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.129 3.279 -13.975 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.992 4.100 -13.715 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.274 2.078 -14.133 1.00 0.00 O ATOM 0 H GLU A 100 -9.686 4.361 -13.397 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.870 6.383 -13.722 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.712 3.707 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.123 4.746 -12.216 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.667 4.559 -14.922 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.028 3.010 -14.408 1.00 0.00 H new ATOM 1359 N SER A 101 -11.180 5.620 -10.694 1.00 0.00 N ATOM 1360 CA SER A 101 -10.858 6.212 -9.370 1.00 0.00 C ATOM 1361 C SER A 101 -11.364 5.311 -8.258 1.00 0.00 C ATOM 1362 O SER A 101 -12.476 4.823 -8.309 1.00 0.00 O ATOM 1363 CB SER A 101 -11.564 7.570 -9.261 1.00 0.00 C ATOM 1364 OG SER A 101 -10.569 8.513 -9.637 1.00 0.00 O ATOM 0 H SER A 101 -11.529 4.662 -10.672 1.00 0.00 H new ATOM 0 HA SER A 101 -9.778 6.326 -9.276 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.431 7.622 -9.920 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.922 7.752 -8.248 1.00 0.00 H new ATOM 0 HG SER A 101 -10.094 8.188 -10.430 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.544 5.099 -7.269 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.973 4.228 -6.151 1.00 0.00 C ATOM 1372 C LEU A 102 -12.044 4.898 -5.312 1.00 0.00 C ATOM 1373 O LEU A 102 -11.763 5.484 -4.282 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.751 3.918 -5.269 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.622 3.372 -6.157 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.397 4.254 -5.996 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.267 1.945 -5.742 1.00 0.00 C ATOM 0 H LEU A 102 -9.605 5.488 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.392 3.310 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.421 4.819 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.014 3.189 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.953 3.369 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.590 3.874 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.640 5.273 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.080 4.249 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.466 1.570 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.937 1.940 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.144 1.306 -5.848 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.751 9.079 -6.447 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.251 8.691 -7.793 1.00 0.00 C ATOM 1536 C LYS A 112 -5.730 8.579 -7.781 1.00 0.00 C ATOM 1537 O LYS A 112 -5.070 9.238 -7.002 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.663 9.778 -8.793 1.00 0.00 C ATOM 1539 CG LYS A 112 -6.972 11.093 -8.422 1.00 0.00 C ATOM 1540 CD LYS A 112 -7.669 12.246 -9.149 1.00 0.00 C ATOM 1541 CE LYS A 112 -8.797 12.786 -8.265 1.00 0.00 C ATOM 1542 NZ LYS A 112 -9.762 13.576 -9.078 1.00 0.00 N ATOM 0 HA LYS A 112 -7.673 7.726 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.387 9.481 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.745 9.907 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -7.013 11.248 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -5.918 11.056 -8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.954 13.038 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.070 11.902 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.314 11.959 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.381 13.411 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.521 13.935 -8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.268 14.376 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.172 12.969 -9.816 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.196 7.740 -8.646 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.712 7.579 -8.689 1.00 0.00 C ATOM 1558 C LEU A 113 -3.185 7.535 -10.131 1.00 0.00 C ATOM 1559 O LEU A 113 -2.805 6.491 -10.627 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.336 6.255 -7.966 1.00 0.00 C ATOM 1561 CG LEU A 113 -4.491 5.242 -8.048 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -4.751 4.874 -9.516 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.088 3.981 -7.282 1.00 0.00 C ATOM 0 H LEU A 113 -5.719 7.171 -9.312 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.258 8.438 -8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.440 5.830 -8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.099 6.460 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.394 5.676 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.569 4.156 -9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.017 5.772 -10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.852 4.433 -9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.897 3.252 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.189 3.556 -7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.891 4.235 -6.241 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.178 8.679 -10.777 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.684 8.737 -12.178 1.00 0.00 C ATOM 1577 C LEU A 114 -1.279 9.328 -12.242 1.00 0.00 C ATOM 1578 O LEU A 114 -0.941 10.035 -13.170 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.630 9.645 -12.975 1.00 0.00 C ATOM 1580 CG LEU A 114 -5.001 8.970 -13.109 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -5.999 9.638 -12.164 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.482 9.139 -14.535 1.00 0.00 C ATOM 0 H LEU A 114 -3.493 9.569 -10.390 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.654 7.727 -12.587 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.735 10.607 -12.474 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.213 9.844 -13.962 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.919 7.913 -12.857 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.972 9.156 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.648 9.541 -11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.090 10.694 -12.418 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.457 8.665 -14.649 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.566 10.201 -14.767 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.770 8.674 -15.217 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.487 9.028 -11.255 1.00 0.00 N ATOM 1595 CA TYR A 115 0.899 9.560 -11.238 1.00 0.00 C ATOM 1596 C TYR A 115 1.853 8.553 -10.616 1.00 0.00 C ATOM 1597 O TYR A 115 2.312 8.733 -9.505 1.00 0.00 O ATOM 1598 CB TYR A 115 0.913 10.811 -10.373 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.205 11.747 -10.809 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -0.024 12.604 -11.873 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.408 11.759 -10.136 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.030 13.461 -12.258 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.415 12.616 -10.520 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.234 13.475 -11.584 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.241 14.335 -11.969 1.00 0.00 O ATOM 0 H TYR A 115 -0.739 8.439 -10.461 1.00 0.00 H new ATOM 0 HA TYR A 115 1.213 9.770 -12.261 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.787 10.541 -9.324 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.876 11.314 -10.459 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.914 12.603 -12.409 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.562 11.091 -9.301 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.876 14.127 -13.094 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.353 12.616 -9.985 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.019 14.210 -11.386 1.00 0.00 H new ATOM 1615 N PRO A 116 2.136 7.503 -11.347 1.00 0.00 N ATOM 1616 CA PRO A 116 3.034 6.470 -10.865 1.00 0.00 C ATOM 1617 C PRO A 116 4.486 6.873 -11.016 1.00 0.00 C ATOM 1618 O PRO A 116 4.819 7.714 -11.828 1.00 0.00 O ATOM 1619 CB PRO A 116 2.761 5.272 -11.778 1.00 0.00 C ATOM 1620 CG PRO A 116 1.921 5.798 -12.990 1.00 0.00 C ATOM 1621 CD PRO A 116 1.570 7.264 -12.684 1.00 0.00 C ATOM 0 HA PRO A 116 2.868 6.269 -9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.696 4.828 -12.121 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.217 4.495 -11.241 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.490 5.722 -13.917 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.017 5.203 -13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 116 2.000 7.939 -13.424 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.492 7.425 -12.694 1.00 0.00 H new ATOM 1629 N VAL A 117 5.322 6.260 -10.222 1.00 0.00 N ATOM 1630 CA VAL A 117 6.767 6.570 -10.283 1.00 0.00 C ATOM 1631 C VAL A 117 7.545 5.297 -10.585 1.00 0.00 C ATOM 1632 O VAL A 117 7.285 4.268 -10.006 1.00 0.00 O ATOM 1633 CB VAL A 117 7.207 7.113 -8.915 1.00 0.00 C ATOM 1634 CG1 VAL A 117 6.887 8.610 -8.843 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.443 6.379 -7.813 1.00 0.00 C ATOM 0 H VAL A 117 5.059 5.556 -9.533 1.00 0.00 H new ATOM 0 HA VAL A 117 6.958 7.307 -11.063 1.00 0.00 H new ATOM 0 HB VAL A 117 8.278 6.959 -8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.197 9.002 -7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.422 9.135 -9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.815 8.759 -8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.752 6.761 -6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.373 6.540 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.659 5.312 -7.869 1.00 0.00 H new ATOM 1645 N SER A 118 8.462 5.372 -11.502 1.00 0.00 N ATOM 1646 CA SER A 118 9.246 4.168 -11.833 1.00 0.00 C ATOM 1647 C SER A 118 10.407 4.520 -12.705 1.00 0.00 C ATOM 1648 O SER A 118 11.384 3.803 -12.788 1.00 0.00 O ATOM 1649 CB SER A 118 8.340 3.213 -12.591 1.00 0.00 C ATOM 1650 OG SER A 118 8.516 1.965 -11.936 1.00 0.00 O ATOM 0 H SER A 118 8.698 6.211 -12.031 1.00 0.00 H new ATOM 0 HA SER A 118 9.621 3.715 -10.915 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.300 3.538 -12.554 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.618 3.152 -13.643 1.00 0.00 H new ATOM 0 HG SER A 118 7.834 1.333 -12.247 1.00 0.00 H new