USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 59 GLN : amide:sc= 0.105 X(o=0.21,f=0) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.101 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.34) USER MOD Set 2.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.102 USER MOD Single : A 7 SER OG : rot 76:sc= 1 USER MOD Single : A 8 SER OG : rot 72:sc= 0.793 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0.105 (180deg=0.0773) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 44:sc= 0.546 USER MOD Single : A 57 ASN : amide:sc= 0.575 K(o=0.57,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.741 K(o=0.74,f=-0.046) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0731 X(o=-0.073,f=-0.073) USER MOD Single : A 73 ASN : amide:sc= 0.0331 K(o=0.033,f=-1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.389 K(o=0.39,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 18.561 15.859 -8.060 1.00 1.00 N ATOM 9 CA SER A 2 17.796 15.281 -6.939 1.00 1.00 C ATOM 10 C SER A 2 16.405 14.771 -7.332 1.00 1.00 C ATOM 11 O SER A 2 15.927 13.789 -6.767 1.00 1.00 O ATOM 12 CB SER A 2 17.652 16.304 -5.805 1.00 1.00 C ATOM 13 OG SER A 2 18.928 16.775 -5.394 1.00 1.00 O ATOM 0 HA SER A 2 18.371 14.416 -6.609 1.00 1.00 H new ATOM 0 HB2 SER A 2 17.039 17.141 -6.138 1.00 1.00 H new ATOM 0 HB3 SER A 2 17.137 15.848 -4.960 1.00 1.00 H new ATOM 0 HG SER A 2 19.564 16.684 -6.134 1.00 1.00 H new ATOM 19 N HIS A 3 15.774 15.370 -8.346 1.00 1.00 N ATOM 20 CA HIS A 3 14.503 14.910 -8.917 1.00 1.00 C ATOM 21 C HIS A 3 14.563 13.474 -9.479 1.00 1.00 C ATOM 22 O HIS A 3 13.571 12.748 -9.393 1.00 1.00 O ATOM 23 CB HIS A 3 14.031 15.921 -9.976 1.00 1.00 C ATOM 24 CG HIS A 3 15.062 16.257 -11.029 1.00 1.00 C ATOM 25 ND1 HIS A 3 15.914 17.342 -11.020 1.00 1.00 N ATOM 26 CD2 HIS A 3 15.333 15.545 -12.167 1.00 1.00 C ATOM 27 CE1 HIS A 3 16.685 17.281 -12.119 1.00 1.00 C ATOM 28 NE2 HIS A 3 16.369 16.197 -12.850 1.00 1.00 N ATOM 0 H HIS A 3 16.139 16.206 -8.803 1.00 1.00 H new ATOM 0 HA HIS A 3 13.774 14.861 -8.108 1.00 1.00 H new ATOM 0 HB2 HIS A 3 13.144 15.523 -10.469 1.00 1.00 H new ATOM 0 HB3 HIS A 3 13.731 16.841 -9.473 1.00 1.00 H new ATOM 0 HD2 HIS A 3 14.836 14.640 -12.483 1.00 1.00 H new ATOM 0 HE1 HIS A 3 17.449 17.999 -12.378 1.00 1.00 H new ATOM 0 HE2 HIS A 3 16.799 15.907 -13.728 1.00 1.00 H new ATOM 36 N MET A 4 15.714 13.021 -9.994 1.00 1.00 N ATOM 37 CA MET A 4 15.912 11.628 -10.426 1.00 1.00 C ATOM 38 C MET A 4 16.021 10.667 -9.234 1.00 1.00 C ATOM 39 O MET A 4 15.506 9.549 -9.289 1.00 1.00 O ATOM 40 CB MET A 4 17.177 11.494 -11.292 1.00 1.00 C ATOM 41 CG MET A 4 17.141 12.326 -12.580 1.00 1.00 C ATOM 42 SD MET A 4 15.782 11.924 -13.716 1.00 1.00 S ATOM 43 CE MET A 4 16.200 13.034 -15.089 1.00 1.00 C ATOM 0 H MET A 4 16.536 13.610 -10.124 1.00 1.00 H new ATOM 0 HA MET A 4 15.034 11.358 -11.013 1.00 1.00 H new ATOM 0 HB2 MET A 4 18.043 11.794 -10.702 1.00 1.00 H new ATOM 0 HB3 MET A 4 17.317 10.445 -11.553 1.00 1.00 H new ATOM 0 HG2 MET A 4 17.071 13.380 -12.312 1.00 1.00 H new ATOM 0 HG3 MET A 4 18.086 12.194 -13.107 1.00 1.00 H new ATOM 0 HE1 MET A 4 15.465 12.921 -15.885 1.00 1.00 H new ATOM 0 HE2 MET A 4 16.197 14.066 -14.737 1.00 1.00 H new ATOM 0 HE3 MET A 4 17.190 12.784 -15.471 1.00 1.00 H new ATOM 53 N LEU A 5 16.652 11.103 -8.139 1.00 1.00 N ATOM 54 CA LEU A 5 16.770 10.328 -6.896 1.00 1.00 C ATOM 55 C LEU A 5 15.410 10.196 -6.189 1.00 1.00 C ATOM 56 O LEU A 5 15.046 9.114 -5.732 1.00 1.00 O ATOM 57 CB LEU A 5 17.817 10.979 -5.972 1.00 1.00 C ATOM 58 CG LEU A 5 19.221 11.127 -6.593 1.00 1.00 C ATOM 59 CD1 LEU A 5 20.145 11.870 -5.627 1.00 1.00 C ATOM 60 CD2 LEU A 5 19.862 9.779 -6.928 1.00 1.00 C ATOM 0 H LEU A 5 17.102 12.017 -8.089 1.00 1.00 H new ATOM 0 HA LEU A 5 17.102 9.320 -7.145 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.459 11.966 -5.678 1.00 1.00 H new ATOM 0 HB3 LEU A 5 17.898 10.385 -5.062 1.00 1.00 H new ATOM 0 HG LEU A 5 19.093 11.686 -7.520 1.00 1.00 H new ATOM 0 HD11 LEU A 5 21.134 11.970 -6.074 1.00 1.00 H new ATOM 0 HD12 LEU A 5 19.737 12.860 -5.423 1.00 1.00 H new ATOM 0 HD13 LEU A 5 20.223 11.310 -4.695 1.00 1.00 H new ATOM 0 HD21 LEU A 5 20.848 9.943 -7.362 1.00 1.00 H new ATOM 0 HD22 LEU A 5 19.960 9.187 -6.018 1.00 1.00 H new ATOM 0 HD23 LEU A 5 19.235 9.246 -7.643 1.00 1.00 H new ATOM 72 N GLU A 6 14.619 11.273 -6.167 1.00 1.00 N ATOM 73 CA GLU A 6 13.229 11.268 -5.694 1.00 1.00 C ATOM 74 C GLU A 6 12.333 10.369 -6.559 1.00 1.00 C ATOM 75 O GLU A 6 11.574 9.562 -6.022 1.00 1.00 O ATOM 76 CB GLU A 6 12.679 12.704 -5.672 1.00 1.00 C ATOM 77 CG GLU A 6 13.308 13.554 -4.559 1.00 1.00 C ATOM 78 CD GLU A 6 12.861 15.017 -4.667 1.00 1.00 C ATOM 79 OE1 GLU A 6 11.817 15.360 -4.060 1.00 1.00 O ATOM 80 OE2 GLU A 6 13.557 15.799 -5.359 1.00 1.00 O ATOM 0 H GLU A 6 14.932 12.191 -6.483 1.00 1.00 H new ATOM 0 HA GLU A 6 13.222 10.860 -4.683 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.866 13.177 -6.636 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.598 12.674 -5.536 1.00 1.00 H new ATOM 0 HG2 GLU A 6 13.024 13.154 -3.586 1.00 1.00 H new ATOM 0 HG3 GLU A 6 14.395 13.496 -4.622 1.00 1.00 H new ATOM 87 N SER A 7 12.466 10.432 -7.891 1.00 1.00 N ATOM 88 CA SER A 7 11.762 9.522 -8.810 1.00 1.00 C ATOM 89 C SER A 7 12.139 8.057 -8.563 1.00 1.00 C ATOM 90 O SER A 7 11.263 7.193 -8.528 1.00 1.00 O ATOM 91 CB SER A 7 12.042 9.874 -10.276 1.00 1.00 C ATOM 92 OG SER A 7 11.573 11.177 -10.589 1.00 1.00 O ATOM 0 H SER A 7 13.062 11.112 -8.362 1.00 1.00 H new ATOM 0 HA SER A 7 10.698 9.649 -8.610 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.113 9.814 -10.469 1.00 1.00 H new ATOM 0 HB3 SER A 7 11.559 9.145 -10.927 1.00 1.00 H new ATOM 0 HG SER A 7 12.190 11.844 -10.221 1.00 1.00 H new ATOM 98 N SER A 8 13.422 7.770 -8.315 1.00 1.00 N ATOM 99 CA SER A 8 13.904 6.421 -7.981 1.00 1.00 C ATOM 100 C SER A 8 13.337 5.911 -6.650 1.00 1.00 C ATOM 101 O SER A 8 12.945 4.747 -6.558 1.00 1.00 O ATOM 102 CB SER A 8 15.437 6.381 -7.931 1.00 1.00 C ATOM 103 OG SER A 8 16.001 6.720 -9.188 1.00 1.00 O ATOM 0 H SER A 8 14.162 8.471 -8.340 1.00 1.00 H new ATOM 0 HA SER A 8 13.548 5.763 -8.774 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.797 7.073 -7.170 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.768 5.385 -7.638 1.00 1.00 H new ATOM 0 HG SER A 8 15.879 7.678 -9.354 1.00 1.00 H new ATOM 109 N ALA A 9 13.231 6.772 -5.633 1.00 1.00 N ATOM 110 CA ALA A 9 12.594 6.439 -4.357 1.00 1.00 C ATOM 111 C ALA A 9 11.080 6.179 -4.503 1.00 1.00 C ATOM 112 O ALA A 9 10.562 5.217 -3.935 1.00 1.00 O ATOM 113 CB ALA A 9 12.878 7.569 -3.358 1.00 1.00 C ATOM 0 H ALA A 9 13.588 7.727 -5.673 1.00 1.00 H new ATOM 0 HA ALA A 9 13.018 5.505 -3.987 1.00 1.00 H new ATOM 0 HB1 ALA A 9 12.410 7.336 -2.402 1.00 1.00 H new ATOM 0 HB2 ALA A 9 13.954 7.670 -3.220 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.472 8.505 -3.742 1.00 1.00 H new ATOM 119 N GLU A 10 10.370 6.982 -5.301 1.00 1.00 N ATOM 120 CA GLU A 10 8.945 6.773 -5.600 1.00 1.00 C ATOM 121 C GLU A 10 8.692 5.485 -6.401 1.00 1.00 C ATOM 122 O GLU A 10 7.754 4.747 -6.100 1.00 1.00 O ATOM 123 CB GLU A 10 8.379 7.988 -6.353 1.00 1.00 C ATOM 124 CG GLU A 10 8.209 9.208 -5.437 1.00 1.00 C ATOM 125 CD GLU A 10 7.742 10.432 -6.234 1.00 1.00 C ATOM 126 OE1 GLU A 10 6.512 10.549 -6.463 1.00 1.00 O ATOM 127 OE2 GLU A 10 8.604 11.260 -6.617 1.00 1.00 O ATOM 0 H GLU A 10 10.767 7.801 -5.762 1.00 1.00 H new ATOM 0 HA GLU A 10 8.430 6.661 -4.646 1.00 1.00 H new ATOM 0 HB2 GLU A 10 9.044 8.245 -7.178 1.00 1.00 H new ATOM 0 HB3 GLU A 10 7.415 7.726 -6.790 1.00 1.00 H new ATOM 0 HG2 GLU A 10 7.485 8.981 -4.654 1.00 1.00 H new ATOM 0 HG3 GLU A 10 9.154 9.431 -4.942 1.00 1.00 H new ATOM 134 N GLU A 11 9.543 5.160 -7.377 1.00 1.00 N ATOM 135 CA GLU A 11 9.481 3.890 -8.115 1.00 1.00 C ATOM 136 C GLU A 11 9.827 2.678 -7.235 1.00 1.00 C ATOM 137 O GLU A 11 9.211 1.620 -7.370 1.00 1.00 O ATOM 138 CB GLU A 11 10.411 3.946 -9.338 1.00 1.00 C ATOM 139 CG GLU A 11 9.849 4.842 -10.452 1.00 1.00 C ATOM 140 CD GLU A 11 10.863 5.009 -11.591 1.00 1.00 C ATOM 141 OE1 GLU A 11 10.961 4.080 -12.430 1.00 1.00 O ATOM 142 OE2 GLU A 11 11.543 6.063 -11.636 1.00 1.00 O ATOM 0 H GLU A 11 10.300 5.772 -7.681 1.00 1.00 H new ATOM 0 HA GLU A 11 8.450 3.758 -8.445 1.00 1.00 H new ATOM 0 HB2 GLU A 11 11.389 4.319 -9.032 1.00 1.00 H new ATOM 0 HB3 GLU A 11 10.561 2.938 -9.725 1.00 1.00 H new ATOM 0 HG2 GLU A 11 8.928 4.409 -10.842 1.00 1.00 H new ATOM 0 HG3 GLU A 11 9.593 5.819 -10.043 1.00 1.00 H new ATOM 149 N SER A 12 10.754 2.833 -6.283 1.00 1.00 N ATOM 150 CA SER A 12 11.040 1.810 -5.269 1.00 1.00 C ATOM 151 C SER A 12 9.832 1.580 -4.353 1.00 1.00 C ATOM 152 O SER A 12 9.463 0.436 -4.087 1.00 1.00 O ATOM 153 CB SER A 12 12.276 2.210 -4.454 1.00 1.00 C ATOM 154 OG SER A 12 12.640 1.176 -3.555 1.00 1.00 O ATOM 0 H SER A 12 11.328 3.672 -6.193 1.00 1.00 H new ATOM 0 HA SER A 12 11.246 0.869 -5.780 1.00 1.00 H new ATOM 0 HB2 SER A 12 13.107 2.424 -5.126 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.071 3.126 -3.899 1.00 1.00 H new ATOM 0 HG SER A 12 13.431 1.449 -3.045 1.00 1.00 H new ATOM 160 N LEU A 13 9.139 2.646 -3.938 1.00 1.00 N ATOM 161 CA LEU A 13 7.914 2.548 -3.138 1.00 1.00 C ATOM 162 C LEU A 13 6.768 1.905 -3.937 1.00 1.00 C ATOM 163 O LEU A 13 6.047 1.065 -3.402 1.00 1.00 O ATOM 164 CB LEU A 13 7.577 3.952 -2.590 1.00 1.00 C ATOM 165 CG LEU A 13 6.440 4.084 -1.554 1.00 1.00 C ATOM 166 CD1 LEU A 13 5.038 4.065 -2.167 1.00 1.00 C ATOM 167 CD2 LEU A 13 6.516 3.034 -0.442 1.00 1.00 C ATOM 0 H LEU A 13 9.414 3.605 -4.149 1.00 1.00 H new ATOM 0 HA LEU A 13 8.067 1.881 -2.289 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.483 4.359 -2.142 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.328 4.588 -3.439 1.00 1.00 H new ATOM 0 HG LEU A 13 6.604 5.070 -1.119 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.294 4.162 -1.376 1.00 1.00 H new ATOM 0 HD12 LEU A 13 4.935 4.895 -2.866 1.00 1.00 H new ATOM 0 HD13 LEU A 13 4.885 3.124 -2.696 1.00 1.00 H new ATOM 0 HD21 LEU A 13 5.690 3.180 0.254 1.00 1.00 H new ATOM 0 HD22 LEU A 13 6.451 2.037 -0.878 1.00 1.00 H new ATOM 0 HD23 LEU A 13 7.461 3.136 0.091 1.00 1.00 H new ATOM 179 N ALA A 14 6.639 2.208 -5.233 1.00 1.00 N ATOM 180 CA ALA A 14 5.689 1.528 -6.114 1.00 1.00 C ATOM 181 C ALA A 14 5.978 0.016 -6.223 1.00 1.00 C ATOM 182 O ALA A 14 5.051 -0.791 -6.161 1.00 1.00 O ATOM 183 CB ALA A 14 5.695 2.214 -7.485 1.00 1.00 C ATOM 0 H ALA A 14 7.190 2.930 -5.698 1.00 1.00 H new ATOM 0 HA ALA A 14 4.691 1.608 -5.683 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.989 1.712 -8.146 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.405 3.258 -7.371 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.695 2.160 -7.914 1.00 1.00 H new ATOM 189 N TYR A 15 7.253 -0.387 -6.302 1.00 1.00 N ATOM 190 CA TYR A 15 7.656 -1.799 -6.259 1.00 1.00 C ATOM 191 C TYR A 15 7.349 -2.468 -4.903 1.00 1.00 C ATOM 192 O TYR A 15 6.832 -3.586 -4.869 1.00 1.00 O ATOM 193 CB TYR A 15 9.141 -1.925 -6.620 1.00 1.00 C ATOM 194 CG TYR A 15 9.609 -3.364 -6.701 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.222 -4.161 -7.797 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.387 -3.921 -5.666 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.608 -5.513 -7.857 1.00 1.00 C ATOM 198 CE2 TYR A 15 10.779 -5.273 -5.725 1.00 1.00 C ATOM 199 CZ TYR A 15 10.388 -6.074 -6.822 1.00 1.00 C ATOM 200 OH TYR A 15 10.756 -7.384 -6.887 1.00 1.00 O ATOM 0 H TYR A 15 8.036 0.259 -6.398 1.00 1.00 H new ATOM 0 HA TYR A 15 7.060 -2.335 -6.998 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.320 -1.436 -7.578 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.737 -1.396 -5.876 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.629 -3.734 -8.592 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.683 -3.310 -4.826 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.307 -6.123 -8.696 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.378 -5.697 -4.933 1.00 1.00 H new ATOM 0 HH TYR A 15 11.290 -7.613 -6.098 1.00 1.00 H new ATOM 210 N ARG A 16 7.592 -1.774 -3.779 1.00 1.00 N ATOM 211 CA ARG A 16 7.200 -2.226 -2.427 1.00 1.00 C ATOM 212 C ARG A 16 5.686 -2.409 -2.296 1.00 1.00 C ATOM 213 O ARG A 16 5.237 -3.382 -1.694 1.00 1.00 O ATOM 214 CB ARG A 16 7.703 -1.237 -1.359 1.00 1.00 C ATOM 215 CG ARG A 16 9.232 -1.247 -1.193 1.00 1.00 C ATOM 216 CD ARG A 16 9.735 -0.086 -0.325 1.00 1.00 C ATOM 217 NE ARG A 16 9.169 -0.114 1.038 1.00 1.00 N ATOM 218 CZ ARG A 16 9.230 0.865 1.926 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.841 1.998 1.690 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.669 0.726 3.096 1.00 1.00 N ATOM 0 H ARG A 16 8.071 -0.873 -3.780 1.00 1.00 H new ATOM 0 HA ARG A 16 7.666 -3.198 -2.268 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.380 -0.231 -1.625 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.239 -1.479 -0.403 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.540 -2.192 -0.745 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.702 -1.192 -2.175 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.823 -0.126 -0.264 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.477 0.859 -0.803 1.00 1.00 H new ATOM 0 HE ARG A 16 8.686 -0.967 1.321 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.296 2.154 0.791 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.862 2.725 2.405 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.182 -0.139 3.328 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.718 1.483 3.778 1.00 1.00 H new ATOM 234 N GLU A 17 4.894 -1.511 -2.879 1.00 1.00 N ATOM 235 CA GLU A 17 3.437 -1.647 -2.960 1.00 1.00 C ATOM 236 C GLU A 17 3.005 -2.812 -3.865 1.00 1.00 C ATOM 237 O GLU A 17 2.132 -3.579 -3.476 1.00 1.00 O ATOM 238 CB GLU A 17 2.823 -0.307 -3.397 1.00 1.00 C ATOM 239 CG GLU A 17 1.313 -0.247 -3.141 1.00 1.00 C ATOM 240 CD GLU A 17 0.756 1.136 -3.490 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.627 1.441 -4.699 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.458 1.904 -2.548 1.00 1.00 O ATOM 0 H GLU A 17 5.248 -0.659 -3.314 1.00 1.00 H new ATOM 0 HA GLU A 17 3.057 -1.897 -1.969 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.313 0.506 -2.861 1.00 1.00 H new ATOM 0 HB3 GLU A 17 3.016 -0.151 -4.458 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.808 -1.008 -3.736 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.108 -0.473 -2.095 1.00 1.00 H new ATOM 249 N ASP A 18 3.643 -3.022 -5.020 1.00 1.00 N ATOM 250 CA ASP A 18 3.379 -4.183 -5.885 1.00 1.00 C ATOM 251 C ASP A 18 3.717 -5.532 -5.221 1.00 1.00 C ATOM 252 O ASP A 18 3.076 -6.535 -5.534 1.00 1.00 O ATOM 253 CB ASP A 18 4.116 -4.044 -7.228 1.00 1.00 C ATOM 254 CG ASP A 18 3.446 -3.047 -8.180 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.201 -3.119 -8.322 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.179 -2.252 -8.814 1.00 1.00 O ATOM 0 H ASP A 18 4.358 -2.393 -5.385 1.00 1.00 H new ATOM 0 HA ASP A 18 2.304 -4.188 -6.063 1.00 1.00 H new ATOM 0 HB2 ASP A 18 5.142 -3.726 -7.042 1.00 1.00 H new ATOM 0 HB3 ASP A 18 4.167 -5.020 -7.710 1.00 1.00 H new ATOM 273 N LEU A 20 2.794 -6.214 -2.211 1.00 1.00 N ATOM 274 CA LEU A 20 1.531 -6.462 -1.501 1.00 1.00 C ATOM 275 C LEU A 20 0.498 -7.226 -2.356 1.00 1.00 C ATOM 276 O LEU A 20 -0.448 -7.790 -1.811 1.00 1.00 O ATOM 277 CB LEU A 20 0.926 -5.148 -0.965 1.00 1.00 C ATOM 278 CG LEU A 20 1.887 -4.205 -0.219 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.127 -2.967 0.262 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.575 -4.860 0.979 1.00 1.00 C ATOM 0 HA LEU A 20 1.779 -7.105 -0.657 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.496 -4.603 -1.805 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.105 -5.399 -0.294 1.00 1.00 H new ATOM 0 HG LEU A 20 2.667 -3.935 -0.932 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.811 -2.302 0.790 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.703 -2.445 -0.595 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.325 -3.271 0.935 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.237 -4.139 1.457 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.822 -5.192 1.694 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.157 -5.718 0.641 1.00 1.00 H new ATOM 292 N ARG A 21 0.694 -7.313 -3.684 1.00 1.00 N ATOM 293 CA ARG A 21 -0.118 -8.133 -4.615 1.00 1.00 C ATOM 294 C ARG A 21 -0.011 -9.650 -4.361 1.00 1.00 C ATOM 295 O ARG A 21 -0.753 -10.433 -4.950 1.00 1.00 O ATOM 296 CB ARG A 21 0.274 -7.780 -6.065 1.00 1.00 C ATOM 297 CG ARG A 21 -0.840 -8.040 -7.090 1.00 1.00 C ATOM 298 CD ARG A 21 -0.358 -7.836 -8.531 1.00 1.00 C ATOM 299 NE ARG A 21 0.015 -6.434 -8.812 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.048 -5.831 -9.987 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.502 -6.424 -11.060 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.338 -4.594 -10.120 1.00 1.00 N ATOM 0 H ARG A 21 1.440 -6.803 -4.157 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.166 -7.890 -4.438 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.557 -6.728 -6.109 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.154 -8.359 -6.345 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.209 -9.059 -6.973 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.678 -7.372 -6.891 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.501 -8.481 -8.718 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.144 -8.144 -9.220 1.00 1.00 H new ATOM 0 HE ARG A 21 0.353 -5.879 -8.026 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -0.825 -7.390 -11.011 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -0.533 -5.921 -11.947 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.693 -4.081 -9.313 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.285 -4.138 -11.031 1.00 1.00 H new ATOM 316 N GLY A 22 0.889 -10.074 -3.470 1.00 1.00 N ATOM 317 CA GLY A 22 0.992 -11.447 -2.962 1.00 1.00 C ATOM 318 C GLY A 22 0.499 -11.607 -1.517 1.00 1.00 C ATOM 319 O GLY A 22 0.884 -12.575 -0.856 1.00 1.00 O ATOM 0 H GLY A 22 1.590 -9.451 -3.068 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.416 -12.109 -3.609 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.031 -11.770 -3.020 1.00 1.00 H new ATOM 323 N ARG A 23 -0.312 -10.665 -1.006 1.00 1.00 N ATOM 324 CA ARG A 23 -0.724 -10.585 0.409 1.00 1.00 C ATOM 325 C ARG A 23 -2.235 -10.414 0.601 1.00 1.00 C ATOM 326 O ARG A 23 -2.970 -9.965 -0.283 1.00 1.00 O ATOM 327 CB ARG A 23 0.021 -9.442 1.119 1.00 1.00 C ATOM 328 CG ARG A 23 1.550 -9.540 1.011 1.00 1.00 C ATOM 329 CD ARG A 23 2.165 -8.531 1.979 1.00 1.00 C ATOM 330 NE ARG A 23 3.605 -8.337 1.740 1.00 1.00 N ATOM 331 CZ ARG A 23 4.453 -7.736 2.557 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.108 -7.290 3.738 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.694 -7.560 2.197 1.00 1.00 N ATOM 0 H ARG A 23 -0.710 -9.920 -1.578 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.458 -11.544 0.854 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.304 -8.491 0.697 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.260 -9.436 2.172 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.884 -10.549 1.252 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.873 -9.333 -0.009 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.650 -7.575 1.881 1.00 1.00 H new ATOM 0 HD3 ARG A 23 2.011 -8.872 3.003 1.00 1.00 H new ATOM 0 HE ARG A 23 3.983 -8.699 0.864 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.148 -7.400 4.064 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.799 -6.833 4.332 1.00 1.00 H new ATOM 0 HH21 ARG A 23 6.011 -7.886 1.284 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.347 -7.096 2.828 1.00 1.00 H new ATOM 347 N LEU A 24 -2.673 -10.763 1.807 1.00 1.00 N ATOM 348 CA LEU A 24 -4.052 -10.707 2.294 1.00 1.00 C ATOM 349 C LEU A 24 -4.263 -9.413 3.106 1.00 1.00 C ATOM 350 O LEU A 24 -3.346 -8.915 3.763 1.00 1.00 O ATOM 351 CB LEU A 24 -4.252 -11.971 3.159 1.00 1.00 C ATOM 352 CG LEU A 24 -5.709 -12.413 3.378 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.294 -13.058 2.119 1.00 1.00 C ATOM 354 CD2 LEU A 24 -5.759 -13.473 4.480 1.00 1.00 C ATOM 0 H LEU A 24 -2.033 -11.116 2.519 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.780 -10.688 1.483 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.709 -12.794 2.695 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.795 -11.797 4.133 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.282 -11.524 3.641 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.324 -13.358 2.309 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.271 -12.341 1.298 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.704 -13.935 1.852 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -6.791 -13.787 4.636 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.159 -14.333 4.185 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.363 -13.055 5.405 1.00 1.00 H new ATOM 366 N GLY A 25 -5.481 -8.885 3.080 1.00 1.00 N ATOM 367 CA GLY A 25 -5.886 -7.619 3.688 1.00 1.00 C ATOM 368 C GLY A 25 -7.292 -7.642 4.297 1.00 1.00 C ATOM 369 O GLY A 25 -7.956 -8.679 4.353 1.00 1.00 O ATOM 0 H GLY A 25 -6.256 -9.352 2.609 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.169 -7.355 4.465 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.841 -6.834 2.933 1.00 1.00 H new ATOM 373 N LYS A 26 -7.736 -6.472 4.758 1.00 1.00 N ATOM 374 CA LYS A 26 -8.940 -6.236 5.559 1.00 1.00 C ATOM 375 C LYS A 26 -9.553 -4.890 5.175 1.00 1.00 C ATOM 376 O LYS A 26 -8.899 -3.855 5.308 1.00 1.00 O ATOM 377 CB LYS A 26 -8.510 -6.283 7.034 1.00 1.00 C ATOM 378 CG LYS A 26 -9.612 -5.979 8.062 1.00 1.00 C ATOM 379 CD LYS A 26 -10.876 -6.844 7.928 1.00 1.00 C ATOM 380 CE LYS A 26 -10.616 -8.357 7.847 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.915 -8.872 9.042 1.00 1.00 N ATOM 0 H LYS A 26 -7.231 -5.606 4.570 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.707 -6.990 5.382 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.107 -7.274 7.244 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.698 -5.571 7.179 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.202 -6.112 9.063 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.895 -4.930 7.971 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.526 -6.646 8.780 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.418 -6.534 7.035 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.565 -8.881 7.732 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -10.022 -8.574 6.959 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -9.762 -9.896 8.941 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -8.997 -8.393 9.139 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -10.492 -8.690 9.888 1.00 1.00 H new ATOM 395 N VAL A 27 -10.772 -4.913 4.640 1.00 1.00 N ATOM 396 CA VAL A 27 -11.500 -3.709 4.184 1.00 1.00 C ATOM 397 C VAL A 27 -12.035 -2.897 5.371 1.00 1.00 C ATOM 398 O VAL A 27 -12.632 -3.451 6.296 1.00 1.00 O ATOM 399 CB VAL A 27 -12.612 -4.079 3.175 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.499 -2.899 2.770 1.00 1.00 C ATOM 401 CG2 VAL A 27 -11.943 -4.610 1.905 1.00 1.00 C ATOM 0 H VAL A 27 -11.298 -5.776 4.505 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.794 -3.066 3.657 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.251 -4.814 3.665 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.254 -3.238 2.061 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -13.989 -2.492 3.654 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.887 -2.126 2.306 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.708 -4.879 1.176 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.296 -3.840 1.485 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.348 -5.490 2.148 1.00 1.00 H new ATOM 411 N ILE A 28 -11.836 -1.575 5.322 1.00 1.00 N ATOM 412 CA ILE A 28 -12.124 -0.604 6.404 1.00 1.00 C ATOM 413 C ILE A 28 -13.046 0.550 5.962 1.00 1.00 C ATOM 414 O ILE A 28 -13.550 1.304 6.794 1.00 1.00 O ATOM 415 CB ILE A 28 -10.811 -0.051 7.007 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.071 0.849 5.981 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.986 -1.211 7.593 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.543 0.788 5.979 1.00 1.00 C ATOM 0 H ILE A 28 -11.452 -1.124 4.492 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.668 -1.155 7.171 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.016 0.614 7.846 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.422 0.585 4.983 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.369 1.882 6.160 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.061 -0.821 8.018 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.562 -1.709 8.373 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.750 -1.925 6.804 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.153 1.463 5.217 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.166 1.088 6.957 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.220 -0.230 5.762 1.00 1.00 H new ATOM 430 N THR A 29 -13.298 0.661 4.656 1.00 1.00 N ATOM 431 CA THR A 29 -14.310 1.528 4.029 1.00 1.00 C ATOM 432 C THR A 29 -14.853 0.733 2.848 1.00 1.00 C ATOM 433 O THR A 29 -14.064 0.237 2.044 1.00 1.00 O ATOM 434 CB THR A 29 -13.727 2.870 3.549 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.101 3.568 4.606 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.785 3.796 2.948 1.00 1.00 C ATOM 0 H THR A 29 -12.776 0.121 3.966 1.00 1.00 H new ATOM 0 HA THR A 29 -15.084 1.789 4.751 1.00 1.00 H new ATOM 0 HB THR A 29 -13.002 2.606 2.779 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.739 4.415 4.270 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.315 4.726 2.628 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.249 3.310 2.090 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.546 4.014 3.697 1.00 1.00 H new ATOM 444 N ALA A 30 -16.172 0.555 2.766 1.00 1.00 N ATOM 445 CA ALA A 30 -16.816 -0.358 1.823 1.00 1.00 C ATOM 446 C ALA A 30 -16.446 -0.081 0.353 1.00 1.00 C ATOM 447 O ALA A 30 -16.402 1.068 -0.089 1.00 1.00 O ATOM 448 CB ALA A 30 -18.332 -0.297 2.038 1.00 1.00 C ATOM 0 H ALA A 30 -16.834 1.050 3.364 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.448 -1.364 2.024 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.826 -0.974 1.341 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.567 -0.594 3.060 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.683 0.721 1.866 1.00 1.00 H new ATOM 454 N VAL A 31 -16.237 -1.157 -0.406 1.00 1.00 N ATOM 455 CA VAL A 31 -15.800 -1.150 -1.810 1.00 1.00 C ATOM 456 C VAL A 31 -16.905 -1.792 -2.663 1.00 1.00 C ATOM 457 O VAL A 31 -17.001 -3.019 -2.703 1.00 1.00 O ATOM 458 CB VAL A 31 -14.468 -1.915 -1.981 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.952 -1.772 -3.410 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.343 -1.465 -1.041 1.00 1.00 C ATOM 0 H VAL A 31 -16.373 -2.102 -0.046 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.627 -0.124 -2.133 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.714 -2.947 -1.732 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.013 -2.316 -3.514 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.687 -2.179 -4.105 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.787 -0.718 -3.633 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.449 -2.058 -1.234 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.124 -0.411 -1.214 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.655 -1.606 -0.006 1.00 1.00 H new ATOM 470 N PRO A 32 -17.806 -1.016 -3.293 1.00 1.00 N ATOM 471 CA PRO A 32 -18.893 -1.578 -4.091 1.00 1.00 C ATOM 472 C PRO A 32 -18.417 -2.106 -5.455 1.00 1.00 C ATOM 473 O PRO A 32 -17.268 -1.916 -5.859 1.00 1.00 O ATOM 474 CB PRO A 32 -19.923 -0.452 -4.209 1.00 1.00 C ATOM 475 CG PRO A 32 -19.046 0.786 -4.212 1.00 1.00 C ATOM 476 CD PRO A 32 -17.907 0.434 -3.253 1.00 1.00 C ATOM 0 HA PRO A 32 -19.325 -2.460 -3.617 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.514 -0.535 -5.121 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.624 -0.452 -3.374 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.672 1.008 -5.212 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.595 1.665 -3.874 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.973 0.902 -3.563 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.120 0.786 -2.244 1.00 1.00 H new ATOM 484 N VAL A 33 -19.338 -2.757 -6.174 1.00 1.00 N ATOM 485 CA VAL A 33 -19.090 -3.536 -7.406 1.00 1.00 C ATOM 486 C VAL A 33 -18.361 -2.787 -8.531 1.00 1.00 C ATOM 487 O VAL A 33 -17.694 -3.410 -9.355 1.00 1.00 O ATOM 488 CB VAL A 33 -20.407 -4.132 -7.955 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.196 -4.903 -6.886 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.361 -3.078 -8.537 1.00 1.00 C ATOM 0 H VAL A 33 -20.322 -2.759 -5.907 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.408 -4.324 -7.087 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.074 -4.803 -8.747 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.111 -5.300 -7.325 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.589 -5.725 -6.508 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.449 -4.231 -6.066 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.264 -3.567 -8.903 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.627 -2.360 -7.761 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -20.871 -2.558 -9.360 1.00 1.00 H new ATOM 500 N ASP A 34 -18.475 -1.458 -8.561 1.00 1.00 N ATOM 501 CA ASP A 34 -17.913 -0.557 -9.576 1.00 1.00 C ATOM 502 C ASP A 34 -17.367 0.752 -8.957 1.00 1.00 C ATOM 503 O ASP A 34 -17.315 1.789 -9.624 1.00 1.00 O ATOM 504 CB ASP A 34 -18.973 -0.296 -10.667 1.00 1.00 C ATOM 505 CG ASP A 34 -20.108 0.652 -10.239 1.00 1.00 C ATOM 506 OD1 ASP A 34 -20.572 0.554 -9.077 1.00 1.00 O ATOM 507 OD2 ASP A 34 -20.534 1.470 -11.089 1.00 1.00 O ATOM 0 H ASP A 34 -18.989 -0.951 -7.840 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.052 -1.040 -10.038 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -18.479 0.122 -11.544 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.407 -1.249 -10.970 1.00 1.00 H new ATOM 512 N GLY A 35 -17.001 0.716 -7.669 1.00 1.00 N ATOM 513 CA GLY A 35 -16.621 1.893 -6.872 1.00 1.00 C ATOM 514 C GLY A 35 -15.372 1.691 -6.007 1.00 1.00 C ATOM 515 O GLY A 35 -14.609 0.740 -6.197 1.00 1.00 O ATOM 0 H GLY A 35 -16.959 -0.154 -7.138 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.451 2.734 -7.545 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.456 2.165 -6.226 1.00 1.00 H new ATOM 519 N PHE A 36 -15.173 2.599 -5.047 1.00 1.00 N ATOM 520 CA PHE A 36 -13.948 2.722 -4.251 1.00 1.00 C ATOM 521 C PHE A 36 -14.236 2.753 -2.742 1.00 1.00 C ATOM 522 O PHE A 36 -15.231 3.326 -2.291 1.00 1.00 O ATOM 523 CB PHE A 36 -13.166 3.996 -4.626 1.00 1.00 C ATOM 524 CG PHE A 36 -12.861 4.217 -6.098 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.857 4.710 -6.966 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.565 3.985 -6.595 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.570 4.925 -8.326 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.275 4.208 -7.955 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.280 4.671 -8.822 1.00 1.00 C ATOM 0 H PHE A 36 -15.881 3.289 -4.795 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.351 1.839 -4.478 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.730 4.856 -4.265 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.221 3.984 -4.084 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.845 4.923 -6.585 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.789 3.634 -5.930 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.342 5.286 -8.990 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.280 4.023 -8.332 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.061 4.831 -9.867 1.00 1.00 H new ATOM 539 N GLY A 37 -13.321 2.169 -1.971 1.00 1.00 N ATOM 540 CA GLY A 37 -13.260 2.196 -0.507 1.00 1.00 C ATOM 541 C GLY A 37 -11.804 2.099 -0.040 1.00 1.00 C ATOM 542 O GLY A 37 -10.914 2.642 -0.695 1.00 1.00 O ATOM 0 H GLY A 37 -12.554 1.631 -2.374 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.710 3.116 -0.133 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.838 1.369 -0.096 1.00 1.00 H new ATOM 546 N GLU A 38 -11.538 1.421 1.077 1.00 1.00 N ATOM 547 CA GLU A 38 -10.202 1.342 1.697 1.00 1.00 C ATOM 548 C GLU A 38 -9.909 -0.027 2.324 1.00 1.00 C ATOM 549 O GLU A 38 -10.815 -0.741 2.758 1.00 1.00 O ATOM 550 CB GLU A 38 -10.040 2.418 2.787 1.00 1.00 C ATOM 551 CG GLU A 38 -9.859 3.842 2.253 1.00 1.00 C ATOM 552 CD GLU A 38 -9.730 4.864 3.393 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.807 4.706 4.229 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.534 5.827 3.415 1.00 1.00 O ATOM 0 H GLU A 38 -12.251 0.901 1.589 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.492 1.505 0.886 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.916 2.395 3.435 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.179 2.164 3.406 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -8.970 3.884 1.624 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.708 4.105 1.623 1.00 1.00 H new ATOM 561 N VAL A 39 -8.621 -0.357 2.430 1.00 1.00 N ATOM 562 CA VAL A 39 -8.082 -1.641 2.907 1.00 1.00 C ATOM 563 C VAL A 39 -6.763 -1.455 3.673 1.00 1.00 C ATOM 564 O VAL A 39 -6.049 -0.475 3.472 1.00 1.00 O ATOM 565 CB VAL A 39 -7.894 -2.576 1.686 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.709 -2.170 0.799 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.742 -4.050 2.060 1.00 1.00 C ATOM 0 H VAL A 39 -7.882 0.297 2.172 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.785 -2.088 3.610 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.820 -2.457 1.124 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.628 -2.862 -0.039 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.866 -1.160 0.422 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.790 -2.200 1.384 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.614 -4.644 1.155 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.870 -4.175 2.702 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.633 -4.384 2.591 1.00 1.00 H new ATOM 577 N VAL A 40 -6.419 -2.428 4.516 1.00 1.00 N ATOM 578 CA VAL A 40 -5.111 -2.576 5.190 1.00 1.00 C ATOM 579 C VAL A 40 -4.609 -4.000 4.948 1.00 1.00 C ATOM 580 O VAL A 40 -5.420 -4.921 4.924 1.00 1.00 O ATOM 581 CB VAL A 40 -5.180 -2.380 6.726 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.839 -1.863 7.255 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.264 -1.421 7.204 1.00 1.00 C ATOM 0 H VAL A 40 -7.069 -3.174 4.765 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.456 -1.808 4.779 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.426 -3.368 7.116 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.901 -1.730 8.335 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.054 -2.583 7.023 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.606 -0.908 6.784 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.233 -1.350 8.291 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.095 -0.435 6.771 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.241 -1.791 6.892 1.00 1.00 H new ATOM 593 N ILE A 41 -3.300 -4.217 4.799 1.00 1.00 N ATOM 594 CA ILE A 41 -2.729 -5.578 4.785 1.00 1.00 C ATOM 595 C ILE A 41 -2.782 -6.170 6.203 1.00 1.00 C ATOM 596 O ILE A 41 -2.669 -5.445 7.189 1.00 1.00 O ATOM 597 CB ILE A 41 -1.307 -5.546 4.187 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.341 -5.114 2.707 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.535 -6.875 4.314 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.194 -5.967 1.757 1.00 1.00 C ATOM 0 H ILE A 41 -2.611 -3.473 4.686 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.318 -6.235 4.144 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.767 -4.811 4.784 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.704 -4.087 2.661 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.318 -5.107 2.331 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.454 -6.765 3.869 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.432 -7.137 5.367 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.081 -7.664 3.796 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.134 -5.559 0.748 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.823 -6.992 1.757 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.231 -5.957 2.091 1.00 1.00 H new ATOM 612 N GLU A 42 -2.954 -7.489 6.305 1.00 1.00 N ATOM 613 CA GLU A 42 -3.247 -8.223 7.556 1.00 1.00 C ATOM 614 C GLU A 42 -2.225 -8.073 8.704 1.00 1.00 C ATOM 615 O GLU A 42 -2.549 -8.385 9.850 1.00 1.00 O ATOM 616 CB GLU A 42 -3.482 -9.712 7.232 1.00 1.00 C ATOM 617 CG GLU A 42 -4.884 -9.985 6.667 1.00 1.00 C ATOM 618 CD GLU A 42 -5.947 -10.071 7.772 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.418 -9.001 8.221 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.285 -11.210 8.174 1.00 1.00 O ATOM 0 H GLU A 42 -2.893 -8.106 5.495 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.145 -7.750 7.952 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.734 -10.045 6.512 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.339 -10.303 8.137 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.153 -9.193 5.967 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.872 -10.918 6.103 1.00 1.00 H new ATOM 681 N ILE A 48 0.115 -0.319 6.579 1.00 1.00 N ATOM 682 CA ILE A 48 -0.412 1.021 6.256 1.00 1.00 C ATOM 683 C ILE A 48 -1.657 0.888 5.361 1.00 1.00 C ATOM 684 O ILE A 48 -1.669 0.098 4.413 1.00 1.00 O ATOM 685 CB ILE A 48 0.703 1.869 5.586 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.871 2.114 6.576 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.157 3.210 5.056 1.00 1.00 C ATOM 688 CD1 ILE A 48 3.085 2.837 5.977 1.00 1.00 C ATOM 0 HA ILE A 48 -0.717 1.535 7.167 1.00 1.00 H new ATOM 0 HB ILE A 48 1.078 1.303 4.733 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.498 2.697 7.418 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.198 1.153 6.974 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.966 3.775 4.594 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.621 3.019 4.316 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.261 3.785 5.882 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.849 2.963 6.744 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.490 2.247 5.155 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.779 3.815 5.606 1.00 1.00 H new ATOM 700 N SER A 49 -2.706 1.659 5.663 1.00 1.00 N ATOM 701 CA SER A 49 -3.967 1.695 4.903 1.00 1.00 C ATOM 702 C SER A 49 -3.802 2.279 3.493 1.00 1.00 C ATOM 703 O SER A 49 -2.986 3.178 3.273 1.00 1.00 O ATOM 704 CB SER A 49 -5.012 2.546 5.640 1.00 1.00 C ATOM 705 OG SER A 49 -5.167 2.107 6.981 1.00 1.00 O ATOM 0 H SER A 49 -2.705 2.293 6.462 1.00 1.00 H new ATOM 0 HA SER A 49 -4.290 0.658 4.815 1.00 1.00 H new ATOM 0 HB2 SER A 49 -4.708 3.593 5.628 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.968 2.486 5.120 1.00 1.00 H new ATOM 0 HG SER A 49 -5.836 2.664 7.432 1.00 1.00 H new ATOM 711 N LYS A 50 -4.628 1.819 2.548 1.00 1.00 N ATOM 712 CA LYS A 50 -4.653 2.232 1.130 1.00 1.00 C ATOM 713 C LYS A 50 -6.094 2.302 0.609 1.00 1.00 C ATOM 714 O LYS A 50 -6.990 1.688 1.192 1.00 1.00 O ATOM 715 CB LYS A 50 -3.876 1.201 0.283 1.00 1.00 C ATOM 716 CG LYS A 50 -2.406 0.952 0.668 1.00 1.00 C ATOM 717 CD LYS A 50 -1.493 2.144 0.362 1.00 1.00 C ATOM 718 CE LYS A 50 -0.062 1.820 0.796 1.00 1.00 C ATOM 719 NZ LYS A 50 0.869 2.896 0.402 1.00 1.00 N ATOM 0 H LYS A 50 -5.335 1.113 2.755 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.195 3.218 1.052 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.406 0.250 0.335 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.904 1.526 -0.757 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.349 0.723 1.732 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -2.040 0.075 0.133 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.518 2.370 -0.704 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.850 3.032 0.884 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.029 1.684 1.877 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.254 0.879 0.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.788 2.746 0.864 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.995 2.886 -0.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.480 3.815 0.694 1.00 1.00 H new ATOM 733 N SER A 51 -6.325 3.007 -0.499 1.00 1.00 N ATOM 734 CA SER A 51 -7.616 2.952 -1.208 1.00 1.00 C ATOM 735 C SER A 51 -7.744 1.625 -1.962 1.00 1.00 C ATOM 736 O SER A 51 -6.739 0.997 -2.307 1.00 1.00 O ATOM 737 CB SER A 51 -7.782 4.127 -2.178 1.00 1.00 C ATOM 738 OG SER A 51 -7.762 5.363 -1.480 1.00 1.00 O ATOM 0 H SER A 51 -5.638 3.625 -0.930 1.00 1.00 H new ATOM 0 HA SER A 51 -8.408 3.024 -0.462 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.982 4.109 -2.918 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.722 4.026 -2.721 1.00 1.00 H new ATOM 0 HG SER A 51 -7.868 6.100 -2.117 1.00 1.00 H new ATOM 744 N ALA A 52 -8.978 1.197 -2.226 1.00 1.00 N ATOM 745 CA ALA A 52 -9.266 -0.105 -2.831 1.00 1.00 C ATOM 746 C ALA A 52 -10.461 -0.096 -3.801 1.00 1.00 C ATOM 747 O ALA A 52 -11.418 0.656 -3.604 1.00 1.00 O ATOM 748 CB ALA A 52 -9.483 -1.122 -1.703 1.00 1.00 C ATOM 0 H ALA A 52 -9.813 1.747 -2.025 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.410 -0.381 -3.446 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.699 -2.100 -2.132 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.583 -1.185 -1.092 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.321 -0.804 -1.083 1.00 1.00 H new ATOM 754 N VAL A 53 -10.420 -0.981 -4.805 1.00 1.00 N ATOM 755 CA VAL A 53 -11.496 -1.278 -5.779 1.00 1.00 C ATOM 756 C VAL A 53 -11.764 -2.789 -5.872 1.00 1.00 C ATOM 757 O VAL A 53 -10.885 -3.597 -5.564 1.00 1.00 O ATOM 758 CB VAL A 53 -11.184 -0.724 -7.186 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.046 0.798 -7.163 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.929 -1.321 -7.834 1.00 1.00 C ATOM 0 H VAL A 53 -9.588 -1.546 -4.976 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.389 -0.776 -5.407 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.037 -1.023 -7.794 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.826 1.159 -8.168 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -11.978 1.243 -6.813 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.235 1.080 -6.491 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.782 -0.878 -8.819 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.061 -1.110 -7.209 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.050 -2.400 -7.935 1.00 1.00 H new ATOM 770 N SER A 54 -12.965 -3.192 -6.310 1.00 1.00 N ATOM 771 CA SER A 54 -13.285 -4.601 -6.568 1.00 1.00 C ATOM 772 C SER A 54 -12.652 -5.082 -7.880 1.00 1.00 C ATOM 773 O SER A 54 -12.961 -4.570 -8.960 1.00 1.00 O ATOM 774 CB SER A 54 -14.801 -4.813 -6.618 1.00 1.00 C ATOM 775 OG SER A 54 -15.075 -6.180 -6.877 1.00 1.00 O ATOM 0 H SER A 54 -13.738 -2.553 -6.494 1.00 1.00 H new ATOM 0 HA SER A 54 -12.871 -5.187 -5.747 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.253 -4.512 -5.673 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.242 -4.188 -7.395 1.00 1.00 H new ATOM 0 HG SER A 54 -14.494 -6.741 -6.322 1.00 1.00 H new ATOM 781 N PHE A 55 -11.787 -6.095 -7.793 1.00 1.00 N ATOM 782 CA PHE A 55 -11.252 -6.819 -8.952 1.00 1.00 C ATOM 783 C PHE A 55 -12.293 -7.750 -9.600 1.00 1.00 C ATOM 784 O PHE A 55 -12.270 -7.979 -10.810 1.00 1.00 O ATOM 785 CB PHE A 55 -10.059 -7.653 -8.473 1.00 1.00 C ATOM 786 CG PHE A 55 -9.352 -8.447 -9.559 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.318 -7.858 -10.311 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.699 -9.794 -9.790 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.638 -8.607 -11.288 1.00 1.00 C ATOM 790 CE2 PHE A 55 -9.017 -10.543 -10.766 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.986 -9.949 -11.515 1.00 1.00 C ATOM 0 H PHE A 55 -11.432 -6.442 -6.902 1.00 1.00 H new ATOM 0 HA PHE A 55 -10.961 -6.091 -9.709 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.336 -6.988 -8.002 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.404 -8.345 -7.704 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.046 -6.827 -10.137 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.491 -10.252 -9.216 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -6.847 -8.150 -11.864 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -9.285 -11.575 -10.940 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.462 -10.524 -12.264 1.00 1.00 H new ATOM 801 N ASP A 56 -13.218 -8.275 -8.793 1.00 1.00 N ATOM 802 CA ASP A 56 -14.159 -9.342 -9.157 1.00 1.00 C ATOM 803 C ASP A 56 -15.605 -8.861 -9.390 1.00 1.00 C ATOM 804 O ASP A 56 -16.511 -9.683 -9.540 1.00 1.00 O ATOM 805 CB ASP A 56 -14.064 -10.467 -8.107 1.00 1.00 C ATOM 806 CG ASP A 56 -14.658 -10.119 -6.735 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.328 -9.035 -6.198 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.430 -10.956 -6.214 1.00 1.00 O ATOM 0 H ASP A 56 -13.338 -7.958 -7.831 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.864 -9.729 -10.132 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -14.573 -11.350 -8.494 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.016 -10.735 -7.976 1.00 1.00 H new ATOM 813 N ASN A 57 -15.824 -7.541 -9.450 1.00 1.00 N ATOM 814 CA ASN A 57 -17.123 -6.889 -9.642 1.00 1.00 C ATOM 815 C ASN A 57 -18.171 -7.350 -8.601 1.00 1.00 C ATOM 816 O ASN A 57 -19.299 -7.722 -8.937 1.00 1.00 O ATOM 817 CB ASN A 57 -17.532 -7.025 -11.127 1.00 1.00 C ATOM 818 CG ASN A 57 -18.549 -5.993 -11.596 1.00 1.00 C ATOM 819 OD1 ASN A 57 -18.246 -5.088 -12.362 1.00 1.00 O ATOM 820 ND2 ASN A 57 -19.791 -6.107 -11.188 1.00 1.00 N ATOM 0 H ASN A 57 -15.063 -6.868 -9.362 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.051 -5.820 -9.440 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -16.639 -6.944 -11.746 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -17.943 -8.022 -11.288 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -20.496 -5.444 -11.509 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -20.051 -6.859 -10.550 1.00 1.00 H new ATOM 827 N GLN A 58 -17.780 -7.354 -7.323 1.00 1.00 N ATOM 828 CA GLN A 58 -18.619 -7.716 -6.168 1.00 1.00 C ATOM 829 C GLN A 58 -18.507 -6.666 -5.053 1.00 1.00 C ATOM 830 O GLN A 58 -17.532 -5.919 -4.978 1.00 1.00 O ATOM 831 CB GLN A 58 -18.234 -9.106 -5.630 1.00 1.00 C ATOM 832 CG GLN A 58 -18.593 -10.269 -6.572 1.00 1.00 C ATOM 833 CD GLN A 58 -20.099 -10.484 -6.716 1.00 1.00 C ATOM 834 OE1 GLN A 58 -20.727 -11.210 -5.954 1.00 1.00 O ATOM 835 NE2 GLN A 58 -20.744 -9.869 -7.683 1.00 1.00 N ATOM 0 H GLN A 58 -16.832 -7.095 -7.050 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.655 -7.747 -6.506 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -17.161 -9.125 -5.440 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.730 -9.263 -4.672 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -18.164 -10.077 -7.556 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -18.136 -11.185 -6.198 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -20.238 -9.261 -8.327 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -21.750 -10.000 -7.789 1.00 1.00 H new ATOM 844 N GLN A 59 -19.524 -6.587 -4.190 1.00 1.00 N ATOM 845 CA GLN A 59 -19.548 -5.633 -3.080 1.00 1.00 C ATOM 846 C GLN A 59 -18.712 -6.182 -1.913 1.00 1.00 C ATOM 847 O GLN A 59 -18.863 -7.342 -1.521 1.00 1.00 O ATOM 848 CB GLN A 59 -21.003 -5.361 -2.655 1.00 1.00 C ATOM 849 CG GLN A 59 -21.163 -3.986 -1.983 1.00 1.00 C ATOM 850 CD GLN A 59 -22.485 -3.878 -1.223 1.00 1.00 C ATOM 851 OE1 GLN A 59 -23.538 -3.618 -1.791 1.00 1.00 O ATOM 852 NE2 GLN A 59 -22.497 -4.071 0.081 1.00 1.00 N ATOM 0 H GLN A 59 -20.351 -7.181 -4.242 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.110 -4.686 -3.395 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.651 -5.414 -3.530 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.331 -6.140 -1.967 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -20.334 -3.818 -1.296 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.113 -3.203 -2.740 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -21.630 -4.289 0.572 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -23.373 -4.003 0.599 1.00 1.00 H new ATOM 861 N ILE A 60 -17.848 -5.342 -1.345 1.00 1.00 N ATOM 862 CA ILE A 60 -16.884 -5.699 -0.301 1.00 1.00 C ATOM 863 C ILE A 60 -17.097 -4.754 0.883 1.00 1.00 C ATOM 864 O ILE A 60 -16.494 -3.684 0.980 1.00 1.00 O ATOM 865 CB ILE A 60 -15.421 -5.722 -0.820 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.284 -6.166 -2.300 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.625 -6.643 0.101 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.852 -6.191 -2.847 1.00 1.00 C ATOM 0 H ILE A 60 -17.797 -4.358 -1.608 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.060 -6.723 0.029 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.034 -4.703 -0.801 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.713 -7.163 -2.404 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.880 -5.496 -2.920 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.588 -6.685 -0.233 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.662 -6.259 1.120 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.055 -7.644 0.075 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.866 -6.514 -3.888 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.421 -5.192 -2.783 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.250 -6.884 -2.260 1.00 1.00 H new ATOM 880 N SER A 61 -18.061 -5.106 1.731 1.00 1.00 N ATOM 881 CA SER A 61 -18.456 -4.336 2.916 1.00 1.00 C ATOM 882 C SER A 61 -17.353 -4.275 3.989 1.00 1.00 C ATOM 883 O SER A 61 -16.371 -5.022 3.951 1.00 1.00 O ATOM 884 CB SER A 61 -19.742 -4.936 3.499 1.00 1.00 C ATOM 885 OG SER A 61 -20.762 -4.962 2.505 1.00 1.00 O ATOM 0 H SER A 61 -18.607 -5.959 1.612 1.00 1.00 H new ATOM 0 HA SER A 61 -18.629 -3.307 2.600 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.550 -5.946 3.861 1.00 1.00 H new ATOM 0 HB3 SER A 61 -20.072 -4.348 4.355 1.00 1.00 H new ATOM 0 HG SER A 61 -21.579 -5.348 2.885 1.00 1.00 H new ATOM 891 N TYR A 62 -17.530 -3.385 4.971 1.00 1.00 N ATOM 892 CA TYR A 62 -16.631 -3.206 6.119 1.00 1.00 C ATOM 893 C TYR A 62 -16.315 -4.521 6.862 1.00 1.00 C ATOM 894 O TYR A 62 -17.203 -5.347 7.093 1.00 1.00 O ATOM 895 CB TYR A 62 -17.283 -2.199 7.082 1.00 1.00 C ATOM 896 CG TYR A 62 -16.469 -1.906 8.329 1.00 1.00 C ATOM 897 CD1 TYR A 62 -15.527 -0.863 8.316 1.00 1.00 C ATOM 898 CD2 TYR A 62 -16.637 -2.683 9.493 1.00 1.00 C ATOM 899 CE1 TYR A 62 -14.739 -0.603 9.453 1.00 1.00 C ATOM 900 CE2 TYR A 62 -15.850 -2.429 10.634 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.895 -1.388 10.616 1.00 1.00 C ATOM 902 OH TYR A 62 -14.129 -1.131 11.712 1.00 1.00 O ATOM 0 H TYR A 62 -18.327 -2.749 4.991 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.676 -2.839 5.744 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.456 -1.265 6.548 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -18.259 -2.581 7.381 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -15.407 -0.258 7.429 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -17.371 -3.475 9.510 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -14.014 0.198 9.436 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -15.977 -3.030 11.522 1.00 1.00 H new ATOM 0 HH TYR A 62 -14.360 -1.760 12.427 1.00 1.00 H new ATOM 912 N GLY A 63 -15.060 -4.685 7.292 1.00 1.00 N ATOM 913 CA GLY A 63 -14.642 -5.760 8.196 1.00 1.00 C ATOM 914 C GLY A 63 -14.548 -7.155 7.567 1.00 1.00 C ATOM 915 O GLY A 63 -14.793 -8.141 8.265 1.00 1.00 O ATOM 0 H GLY A 63 -14.296 -4.067 7.018 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.668 -5.502 8.612 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.343 -5.803 9.029 1.00 1.00 H new ATOM 919 N THR A 64 -14.193 -7.262 6.279 1.00 1.00 N ATOM 920 CA THR A 64 -14.058 -8.552 5.573 1.00 1.00 C ATOM 921 C THR A 64 -12.638 -8.767 5.048 1.00 1.00 C ATOM 922 O THR A 64 -11.908 -7.808 4.777 1.00 1.00 O ATOM 923 CB THR A 64 -15.109 -8.683 4.460 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.387 -10.043 4.223 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.693 -8.085 3.122 1.00 1.00 C ATOM 0 H THR A 64 -13.989 -6.454 5.691 1.00 1.00 H new ATOM 0 HA THR A 64 -14.246 -9.346 6.296 1.00 1.00 H new ATOM 0 HB THR A 64 -15.973 -8.128 4.826 1.00 1.00 H new ATOM 0 HG1 THR A 64 -16.059 -10.121 3.514 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.495 -8.223 2.397 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.494 -7.020 3.245 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.792 -8.583 2.765 1.00 1.00 H new ATOM 933 N THR A 65 -12.241 -10.032 4.922 1.00 1.00 N ATOM 934 CA THR A 65 -10.877 -10.452 4.576 1.00 1.00 C ATOM 935 C THR A 65 -10.757 -10.651 3.067 1.00 1.00 C ATOM 936 O THR A 65 -11.518 -11.404 2.451 1.00 1.00 O ATOM 937 CB THR A 65 -10.485 -11.724 5.343 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.619 -11.486 6.730 1.00 1.00 O ATOM 939 CG2 THR A 65 -9.030 -12.122 5.108 1.00 1.00 C ATOM 0 H THR A 65 -12.875 -10.819 5.061 1.00 1.00 H new ATOM 0 HA THR A 65 -10.182 -9.666 4.872 1.00 1.00 H new ATOM 0 HB THR A 65 -11.138 -12.521 4.988 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.372 -12.294 7.226 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.805 -13.027 5.673 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.871 -12.308 4.046 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.375 -11.316 5.438 1.00 1.00 H new ATOM 947 N VAL A 66 -9.770 -9.986 2.470 1.00 1.00 N ATOM 948 CA VAL A 66 -9.595 -9.838 1.017 1.00 1.00 C ATOM 949 C VAL A 66 -8.188 -10.195 0.553 1.00 1.00 C ATOM 950 O VAL A 66 -7.221 -9.952 1.262 1.00 1.00 O ATOM 951 CB VAL A 66 -9.915 -8.395 0.573 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.388 -8.033 0.763 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.101 -7.316 1.305 1.00 1.00 C ATOM 0 H VAL A 66 -9.038 -9.515 3.002 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.291 -10.538 0.555 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.645 -8.399 -0.483 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.556 -7.007 0.435 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.008 -8.709 0.174 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.652 -8.124 1.817 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.386 -6.331 0.935 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.301 -7.373 2.375 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.038 -7.478 1.125 1.00 1.00 H new ATOM 963 N LEU A 67 -8.052 -10.766 -0.640 1.00 1.00 N ATOM 964 CA LEU A 67 -6.755 -10.953 -1.299 1.00 1.00 C ATOM 965 C LEU A 67 -6.530 -9.774 -2.254 1.00 1.00 C ATOM 966 O LEU A 67 -7.401 -9.478 -3.078 1.00 1.00 O ATOM 967 CB LEU A 67 -6.770 -12.301 -2.045 1.00 1.00 C ATOM 968 CG LEU A 67 -5.448 -12.670 -2.744 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.326 -12.947 -1.740 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.645 -13.930 -3.586 1.00 1.00 C ATOM 0 H LEU A 67 -8.841 -11.116 -1.184 1.00 1.00 H new ATOM 0 HA LEU A 67 -5.937 -10.976 -0.579 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.021 -13.089 -1.336 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.564 -12.278 -2.791 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.166 -11.819 -3.364 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.413 -13.203 -2.277 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.153 -12.058 -1.133 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.612 -13.777 -1.094 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.708 -14.188 -4.079 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.955 -14.753 -2.942 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.413 -13.749 -4.338 1.00 1.00 H new ATOM 982 N VAL A 68 -5.384 -9.092 -2.157 1.00 1.00 N ATOM 983 CA VAL A 68 -4.997 -8.100 -3.175 1.00 1.00 C ATOM 984 C VAL A 68 -4.535 -8.861 -4.419 1.00 1.00 C ATOM 985 O VAL A 68 -3.674 -9.735 -4.325 1.00 1.00 O ATOM 986 CB VAL A 68 -3.899 -7.130 -2.697 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.781 -5.960 -3.680 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.194 -6.556 -1.305 1.00 1.00 C ATOM 0 H VAL A 68 -4.714 -9.203 -1.396 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.864 -7.476 -3.392 1.00 1.00 H new ATOM 0 HB VAL A 68 -2.971 -7.700 -2.647 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.004 -5.276 -3.340 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.522 -6.340 -4.668 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.733 -5.431 -3.732 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.391 -5.879 -1.013 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.138 -6.011 -1.329 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.263 -7.370 -0.583 1.00 1.00 H new ATOM 998 N VAL A 69 -5.115 -8.545 -5.576 1.00 1.00 N ATOM 999 CA VAL A 69 -4.960 -9.314 -6.829 1.00 1.00 C ATOM 1000 C VAL A 69 -4.416 -8.490 -8.004 1.00 1.00 C ATOM 1001 O VAL A 69 -3.826 -9.053 -8.926 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.278 -10.018 -7.211 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.426 -11.334 -6.440 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.522 -9.171 -6.934 1.00 1.00 C ATOM 0 H VAL A 69 -5.721 -7.731 -5.680 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.201 -10.068 -6.621 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.215 -10.192 -8.285 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.361 -11.818 -6.722 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.591 -11.992 -6.680 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.431 -11.130 -5.369 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.413 -9.727 -7.226 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.573 -8.936 -5.871 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.467 -8.246 -7.508 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.540 -7.164 -7.958 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.884 -6.213 -8.870 1.00 1.00 C ATOM 1016 C ASP A 70 -3.653 -4.902 -8.101 1.00 1.00 C ATOM 1017 O ASP A 70 -4.258 -4.702 -7.048 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.719 -5.989 -10.143 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.841 -5.731 -11.371 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -3.184 -4.665 -11.401 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.822 -6.598 -12.276 1.00 1.00 O ATOM 0 H ASP A 70 -5.121 -6.700 -7.260 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.927 -6.615 -9.204 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.346 -6.863 -10.323 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.388 -5.142 -9.992 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.780 -4.010 -8.567 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.369 -2.812 -7.815 1.00 1.00 C ATOM 1028 C ILE A 71 -2.077 -1.643 -8.767 1.00 1.00 C ATOM 1029 O ILE A 71 -1.470 -1.801 -9.827 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.153 -3.139 -6.899 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.567 -4.155 -5.807 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.561 -1.886 -6.232 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.586 -4.392 -4.659 1.00 1.00 C ATOM 0 H ILE A 71 -2.333 -4.093 -9.480 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.191 -2.501 -7.171 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.382 -3.567 -7.539 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.513 -3.823 -5.379 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.756 -5.113 -6.292 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.283 -2.172 -5.605 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.223 -1.190 -7.000 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.323 -1.406 -5.618 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -1.004 -5.125 -3.969 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.357 -4.765 -5.058 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.411 -3.455 -4.130 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.482 -0.451 -8.331 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.167 0.855 -8.904 1.00 1.00 C ATOM 1047 C ASN A 72 -1.774 1.806 -7.751 1.00 1.00 C ATOM 1048 O ASN A 72 -2.073 1.515 -6.593 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.405 1.319 -9.695 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.213 2.673 -10.355 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.691 3.695 -9.886 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.476 2.733 -11.442 1.00 1.00 N ATOM 0 H ASN A 72 -3.081 -0.368 -7.510 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.323 0.830 -9.593 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.640 0.578 -10.459 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.262 1.366 -9.023 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.304 3.632 -11.893 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -2.076 1.881 -11.835 1.00 1.00 H new ATOM 1059 N ASN A 73 -1.086 2.914 -8.044 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.486 3.834 -7.061 1.00 1.00 C ATOM 1061 C ASN A 73 -1.465 4.285 -5.949 1.00 1.00 C ATOM 1062 O ASN A 73 -2.283 5.188 -6.149 1.00 1.00 O ATOM 1063 CB ASN A 73 0.135 5.032 -7.806 1.00 1.00 C ATOM 1064 CG ASN A 73 1.255 4.626 -8.750 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.026 4.098 -9.831 1.00 1.00 O ATOM 1066 ND2 ASN A 73 2.498 4.842 -8.381 1.00 1.00 N ATOM 0 H ASN A 73 -0.923 3.209 -9.007 1.00 1.00 H new ATOM 0 HA ASN A 73 0.295 3.289 -6.531 1.00 1.00 H new ATOM 0 HB2 ASN A 73 -0.643 5.544 -8.372 1.00 1.00 H new ATOM 0 HB3 ASN A 73 0.521 5.745 -7.078 1.00 1.00 H new ATOM 0 HD21 ASN A 73 3.267 4.570 -8.994 1.00 1.00 H new ATOM 0 HD22 ASN A 73 2.694 5.281 -7.482 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.389 3.642 -4.778 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.269 3.860 -3.621 1.00 1.00 C ATOM 1075 C GLY A 74 -3.724 3.387 -3.784 1.00 1.00 C ATOM 1076 O GLY A 74 -4.547 3.661 -2.909 1.00 1.00 O ATOM 0 H GLY A 74 -0.684 2.926 -4.602 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.837 3.351 -2.759 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.277 4.925 -3.391 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.040 2.670 -4.870 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.376 2.176 -5.250 1.00 1.00 C ATOM 1082 C VAL A 75 -5.264 0.696 -5.625 1.00 1.00 C ATOM 1083 O VAL A 75 -5.019 0.322 -6.773 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.018 3.008 -6.383 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.463 2.547 -6.638 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.074 4.506 -6.054 1.00 1.00 C ATOM 0 H VAL A 75 -3.329 2.401 -5.550 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.044 2.287 -4.396 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.389 2.853 -7.260 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.899 3.144 -7.439 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.464 1.496 -6.927 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.051 2.674 -5.729 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.534 5.044 -6.883 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.665 4.658 -5.151 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.063 4.881 -5.894 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.368 -0.160 -4.614 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.267 -1.613 -4.736 1.00 1.00 C ATOM 1098 C LEU A 76 -6.549 -2.194 -5.366 1.00 1.00 C ATOM 1099 O LEU A 76 -7.647 -1.688 -5.149 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.024 -2.182 -3.321 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.565 -2.102 -2.816 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.917 -0.715 -2.886 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.514 -2.567 -1.361 1.00 1.00 C ATOM 0 H LEU A 76 -5.530 0.147 -3.655 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.442 -1.889 -5.392 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.664 -1.648 -2.618 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.338 -3.226 -3.309 1.00 1.00 H new ATOM 0 HG LEU A 76 -2.997 -2.742 -3.491 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.896 -0.771 -2.508 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.903 -0.372 -3.920 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.491 -0.014 -2.279 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.488 -2.513 -0.998 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.149 -1.924 -0.751 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.869 -3.595 -1.295 1.00 1.00 H new ATOM 1115 N SER A 77 -6.429 -3.303 -6.088 1.00 1.00 N ATOM 1116 CA SER A 77 -7.551 -4.082 -6.625 1.00 1.00 C ATOM 1117 C SER A 77 -7.651 -5.384 -5.840 1.00 1.00 C ATOM 1118 O SER A 77 -6.692 -6.160 -5.782 1.00 1.00 O ATOM 1119 CB SER A 77 -7.348 -4.361 -8.114 1.00 1.00 C ATOM 1120 OG SER A 77 -8.601 -4.543 -8.745 1.00 1.00 O ATOM 0 H SER A 77 -5.521 -3.702 -6.326 1.00 1.00 H new ATOM 0 HA SER A 77 -8.478 -3.518 -6.521 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.814 -3.532 -8.579 1.00 1.00 H new ATOM 0 HB3 SER A 77 -6.732 -5.251 -8.246 1.00 1.00 H new ATOM 0 HG SER A 77 -8.464 -4.720 -9.699 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.794 -5.615 -5.192 1.00 1.00 N ATOM 1127 CA VAL A 78 -8.963 -6.701 -4.214 1.00 1.00 C ATOM 1128 C VAL A 78 -10.221 -7.535 -4.469 1.00 1.00 C ATOM 1129 O VAL A 78 -11.149 -7.105 -5.156 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.920 -6.160 -2.762 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.760 -5.184 -2.515 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.200 -5.445 -2.325 1.00 1.00 C ATOM 0 H VAL A 78 -9.635 -5.054 -5.329 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.117 -7.376 -4.345 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.789 -7.067 -2.172 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.786 -4.842 -1.480 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.813 -5.689 -2.707 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.856 -4.328 -3.183 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.090 -5.097 -1.298 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.382 -4.593 -2.980 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.041 -6.136 -2.385 1.00 1.00 H new ATOM 1142 N THR A 79 -10.258 -8.734 -3.891 1.00 1.00 N ATOM 1143 CA THR A 79 -11.394 -9.672 -3.959 1.00 1.00 C ATOM 1144 C THR A 79 -11.584 -10.373 -2.603 1.00 1.00 C ATOM 1145 O THR A 79 -10.582 -10.689 -1.952 1.00 1.00 O ATOM 1146 CB THR A 79 -11.168 -10.683 -5.100 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.250 -11.580 -5.180 1.00 1.00 O ATOM 1148 CG2 THR A 79 -9.899 -11.529 -4.967 1.00 1.00 C ATOM 0 H THR A 79 -9.478 -9.098 -3.344 1.00 1.00 H new ATOM 0 HA THR A 79 -12.310 -9.123 -4.175 1.00 1.00 H new ATOM 0 HB THR A 79 -11.068 -10.065 -5.992 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.095 -12.216 -5.910 1.00 1.00 H new ATOM 0 HG21 THR A 79 -9.825 -12.210 -5.815 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.027 -10.876 -4.949 1.00 1.00 H new ATOM 0 HG23 THR A 79 -9.940 -12.104 -4.042 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.820 -10.588 -2.106 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.067 -11.192 -0.795 1.00 1.00 C ATOM 1158 C PRO A 80 -12.742 -12.692 -0.765 1.00 1.00 C ATOM 1159 O PRO A 80 -13.572 -13.548 -1.077 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.519 -10.867 -0.455 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.194 -10.755 -1.824 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.086 -10.192 -2.716 1.00 1.00 C ATOM 0 HA PRO A 80 -12.402 -10.782 -0.035 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.973 -11.650 0.153 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.600 -9.938 0.109 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.544 -11.724 -2.180 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.060 -10.094 -1.793 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.167 -10.584 -3.730 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.159 -9.107 -2.787 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.503 -13.004 -0.377 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.000 -14.367 -0.203 1.00 1.00 C ATOM 1172 C HIS A 81 -11.744 -15.123 0.919 1.00 1.00 C ATOM 1173 O HIS A 81 -12.011 -16.317 0.771 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.489 -14.292 0.076 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.750 -15.616 0.087 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.293 -16.879 0.195 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.393 -15.783 -0.006 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.297 -17.779 0.163 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.112 -17.155 0.043 1.00 1.00 N ATOM 0 H HIS A 81 -10.802 -12.293 -0.169 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.181 -14.935 -1.116 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.032 -13.649 -0.676 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.341 -13.808 1.041 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.286 -17.094 0.284 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.664 -14.992 -0.101 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.429 -18.849 0.225 1.00 1.00 H new