USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 56 LYS NZ :NH3+ 143:sc= 0.0201 (180deg=0) USER MOD Set 1.2: A 75 CYS SG : rot -8:sc= 0.148 USER MOD Set 2.1: A 48 GLN : amide:sc= -7.25! K(o=-8.8!,f=-1.6) USER MOD Set 2.2: A 66 THR OG1 : rot 95:sc= -1.59! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 36:sc= 0.863 USER MOD Single : A 5 SER OG : rot 30:sc= 0.723 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 127:sc= -2.6! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -102:sc= -0.0548 (180deg=-1.65!) USER MOD Single : A 32 SER OG : rot -116:sc= -0.83 USER MOD Single : A 34 ASN : amide:sc= -3.28 K(o=-3.3,f=-19!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 170:sc= 0.165 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -162:sc= -0.012 (180deg=-0.197) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.396 -1.640 -17.186 1.00 0.00 N ATOM 2 CA GLY A 1 13.531 -1.246 -16.089 1.00 0.00 C ATOM 3 C GLY A 1 12.300 -2.123 -15.978 1.00 0.00 C ATOM 4 O GLY A 1 11.600 -2.351 -16.965 1.00 0.00 O ATOM 0 H1 GLY A 1 15.223 -1.010 -17.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.713 -2.620 -17.043 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.873 -1.572 -18.082 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.091 -1.291 -15.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.224 -0.209 -16.227 1.00 0.00 H new ATOM 8 N SER A 2 12.035 -2.618 -14.773 1.00 0.00 N ATOM 9 CA SER A 2 10.883 -3.480 -14.537 1.00 0.00 C ATOM 10 C SER A 2 9.606 -2.841 -15.076 1.00 0.00 C ATOM 11 O SER A 2 9.498 -1.617 -15.155 1.00 0.00 O ATOM 12 CB SER A 2 10.731 -3.767 -13.042 1.00 0.00 C ATOM 13 OG SER A 2 11.874 -4.430 -12.531 1.00 0.00 O ATOM 0 H SER A 2 12.603 -2.437 -13.945 1.00 0.00 H new ATOM 0 HA SER A 2 11.050 -4.419 -15.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.578 -2.832 -12.503 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.846 -4.380 -12.874 1.00 0.00 H new ATOM 0 HG SER A 2 11.753 -4.600 -11.574 1.00 0.00 H new ATOM 19 N SER A 3 8.643 -3.678 -15.446 1.00 0.00 N ATOM 20 CA SER A 3 7.375 -3.197 -15.981 1.00 0.00 C ATOM 21 C SER A 3 6.315 -4.292 -15.936 1.00 0.00 C ATOM 22 O SER A 3 6.630 -5.471 -15.775 1.00 0.00 O ATOM 23 CB SER A 3 7.557 -2.707 -17.419 1.00 0.00 C ATOM 24 OG SER A 3 7.925 -1.339 -17.449 1.00 0.00 O ATOM 0 H SER A 3 8.717 -4.694 -15.385 1.00 0.00 H new ATOM 0 HA SER A 3 7.040 -2.366 -15.361 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.322 -3.304 -17.916 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.631 -2.850 -17.975 1.00 0.00 H new ATOM 0 HG SER A 3 8.508 -1.140 -16.687 1.00 0.00 H new ATOM 30 N GLY A 4 5.054 -3.894 -16.078 1.00 0.00 N ATOM 31 CA GLY A 4 3.965 -4.853 -16.051 1.00 0.00 C ATOM 32 C GLY A 4 3.549 -5.217 -14.639 1.00 0.00 C ATOM 33 O GLY A 4 4.396 -5.429 -13.771 1.00 0.00 O ATOM 0 H GLY A 4 4.767 -2.924 -16.211 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.108 -4.441 -16.584 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.267 -5.756 -16.582 1.00 0.00 H new ATOM 37 N SER A 5 2.242 -5.289 -14.409 1.00 0.00 N ATOM 38 CA SER A 5 1.716 -5.625 -13.091 1.00 0.00 C ATOM 39 C SER A 5 0.744 -6.798 -13.177 1.00 0.00 C ATOM 40 O SER A 5 -0.287 -6.716 -13.845 1.00 0.00 O ATOM 41 CB SER A 5 1.016 -4.413 -12.474 1.00 0.00 C ATOM 42 OG SER A 5 -0.179 -4.105 -13.170 1.00 0.00 O ATOM 0 H SER A 5 1.528 -5.119 -15.118 1.00 0.00 H new ATOM 0 HA SER A 5 2.553 -5.915 -12.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.789 -4.614 -11.427 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.685 -3.553 -12.496 1.00 0.00 H new ATOM 0 HG SER A 5 -0.558 -4.926 -13.548 1.00 0.00 H new ATOM 48 N SER A 6 1.081 -7.889 -12.497 1.00 0.00 N ATOM 49 CA SER A 6 0.241 -9.081 -12.499 1.00 0.00 C ATOM 50 C SER A 6 -1.147 -8.768 -11.948 1.00 0.00 C ATOM 51 O SER A 6 -1.284 -8.168 -10.883 1.00 0.00 O ATOM 52 CB SER A 6 0.892 -10.191 -11.671 1.00 0.00 C ATOM 53 OG SER A 6 2.110 -10.616 -12.257 1.00 0.00 O ATOM 0 H SER A 6 1.930 -7.972 -11.938 1.00 0.00 H new ATOM 0 HA SER A 6 0.136 -9.420 -13.530 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.077 -9.833 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.209 -11.037 -11.590 1.00 0.00 H new ATOM 0 HG SER A 6 2.507 -11.324 -11.708 1.00 0.00 H new ATOM 59 N GLY A 7 -2.175 -9.181 -12.683 1.00 0.00 N ATOM 60 CA GLY A 7 -3.540 -8.936 -12.254 1.00 0.00 C ATOM 61 C GLY A 7 -4.155 -10.138 -11.565 1.00 0.00 C ATOM 62 O GLY A 7 -4.016 -11.270 -12.031 1.00 0.00 O ATOM 0 H GLY A 7 -2.087 -9.681 -13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.557 -8.084 -11.575 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.147 -8.667 -13.119 1.00 0.00 H new ATOM 66 N THR A 8 -4.837 -9.895 -10.450 1.00 0.00 N ATOM 67 CA THR A 8 -5.474 -10.966 -9.694 1.00 0.00 C ATOM 68 C THR A 8 -6.439 -11.758 -10.569 1.00 0.00 C ATOM 69 O THR A 8 -7.386 -11.203 -11.125 1.00 0.00 O ATOM 70 CB THR A 8 -6.237 -10.416 -8.475 1.00 0.00 C ATOM 71 OG1 THR A 8 -5.369 -9.603 -7.678 1.00 0.00 O ATOM 72 CG2 THR A 8 -6.795 -11.551 -7.628 1.00 0.00 C ATOM 0 H THR A 8 -4.962 -8.965 -10.050 1.00 0.00 H new ATOM 0 HA THR A 8 -4.678 -11.625 -9.348 1.00 0.00 H new ATOM 0 HB THR A 8 -7.068 -9.811 -8.838 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.863 -9.256 -6.906 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.330 -11.138 -6.773 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.479 -12.151 -8.228 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.976 -12.178 -7.275 1.00 0.00 H new ATOM 80 N ASP A 9 -6.192 -13.058 -10.686 1.00 0.00 N ATOM 81 CA ASP A 9 -7.041 -13.928 -11.492 1.00 0.00 C ATOM 82 C ASP A 9 -8.183 -14.499 -10.657 1.00 0.00 C ATOM 83 O ASP A 9 -8.014 -14.853 -9.490 1.00 0.00 O ATOM 84 CB ASP A 9 -6.216 -15.065 -12.095 1.00 0.00 C ATOM 85 CG ASP A 9 -6.776 -15.547 -13.419 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.402 -14.976 -14.465 1.00 0.00 O ATOM 87 OD2 ASP A 9 -7.587 -16.497 -13.410 1.00 0.00 O ATOM 0 H ASP A 9 -5.411 -13.533 -10.233 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.468 -13.332 -12.299 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.189 -14.728 -12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.183 -15.898 -11.393 1.00 0.00 H new ATOM 92 N PRO A 10 -9.374 -14.590 -11.266 1.00 0.00 N ATOM 93 CA PRO A 10 -10.568 -15.117 -10.597 1.00 0.00 C ATOM 94 C PRO A 10 -10.474 -16.618 -10.341 1.00 0.00 C ATOM 95 O PRO A 10 -10.868 -17.426 -11.180 1.00 0.00 O ATOM 96 CB PRO A 10 -11.693 -14.814 -11.589 1.00 0.00 C ATOM 97 CG PRO A 10 -11.021 -14.743 -12.916 1.00 0.00 C ATOM 98 CD PRO A 10 -9.648 -14.187 -12.656 1.00 0.00 C ATOM 0 HA PRO A 10 -10.715 -14.669 -9.614 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.455 -15.593 -11.573 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.191 -13.875 -11.347 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.962 -15.729 -13.377 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.577 -14.104 -13.601 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.911 -14.598 -13.346 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.625 -13.103 -12.772 1.00 0.00 H new ATOM 106 N GLY A 11 -9.949 -16.983 -9.175 1.00 0.00 N ATOM 107 CA GLY A 11 -9.814 -18.386 -8.830 1.00 0.00 C ATOM 108 C GLY A 11 -10.654 -18.771 -7.628 1.00 0.00 C ATOM 109 O GLY A 11 -11.598 -19.551 -7.747 1.00 0.00 O ATOM 0 H GLY A 11 -9.615 -16.332 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.106 -18.997 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.767 -18.607 -8.623 1.00 0.00 H new ATOM 113 N ALA A 12 -10.309 -18.224 -6.467 1.00 0.00 N ATOM 114 CA ALA A 12 -11.038 -18.515 -5.239 1.00 0.00 C ATOM 115 C ALA A 12 -11.027 -17.315 -4.297 1.00 0.00 C ATOM 116 O ALA A 12 -10.278 -16.361 -4.502 1.00 0.00 O ATOM 117 CB ALA A 12 -10.446 -19.735 -4.549 1.00 0.00 C ATOM 0 H ALA A 12 -9.529 -17.577 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.074 -18.728 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.001 -19.940 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.511 -20.596 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.401 -19.544 -4.305 1.00 0.00 H new ATOM 123 N GLU A 13 -11.864 -17.371 -3.266 1.00 0.00 N ATOM 124 CA GLU A 13 -11.951 -16.288 -2.294 1.00 0.00 C ATOM 125 C GLU A 13 -10.560 -15.821 -1.874 1.00 0.00 C ATOM 126 O GLU A 13 -9.564 -16.495 -2.133 1.00 0.00 O ATOM 127 CB GLU A 13 -12.743 -16.738 -1.064 1.00 0.00 C ATOM 128 CG GLU A 13 -11.990 -17.718 -0.181 1.00 0.00 C ATOM 129 CD GLU A 13 -12.806 -18.172 1.014 1.00 0.00 C ATOM 130 OE1 GLU A 13 -12.823 -17.447 2.030 1.00 0.00 O ATOM 131 OE2 GLU A 13 -13.427 -19.252 0.932 1.00 0.00 O ATOM 0 H GLU A 13 -12.491 -18.154 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.469 -15.453 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.010 -15.862 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.675 -17.199 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.703 -18.588 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.069 -17.252 0.169 1.00 0.00 H new ATOM 138 N GLU A 14 -10.502 -14.663 -1.224 1.00 0.00 N ATOM 139 CA GLU A 14 -9.233 -14.105 -0.769 1.00 0.00 C ATOM 140 C GLU A 14 -9.381 -13.469 0.610 1.00 0.00 C ATOM 141 O GLU A 14 -10.490 -13.155 1.045 1.00 0.00 O ATOM 142 CB GLU A 14 -8.719 -13.067 -1.769 1.00 0.00 C ATOM 143 CG GLU A 14 -9.530 -11.782 -1.783 1.00 0.00 C ATOM 144 CD GLU A 14 -10.676 -11.827 -2.775 1.00 0.00 C ATOM 145 OE1 GLU A 14 -10.425 -11.619 -3.981 1.00 0.00 O ATOM 146 OE2 GLU A 14 -11.824 -12.068 -2.346 1.00 0.00 O ATOM 0 H GLU A 14 -11.318 -14.093 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.512 -14.919 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.682 -12.830 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.727 -13.502 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.926 -11.595 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.875 -10.946 -2.028 1.00 0.00 H new ATOM 153 N LEU A 15 -8.257 -13.284 1.293 1.00 0.00 N ATOM 154 CA LEU A 15 -8.261 -12.686 2.624 1.00 0.00 C ATOM 155 C LEU A 15 -8.757 -11.245 2.572 1.00 0.00 C ATOM 156 O LEU A 15 -8.496 -10.506 1.622 1.00 0.00 O ATOM 157 CB LEU A 15 -6.856 -12.732 3.229 1.00 0.00 C ATOM 158 CG LEU A 15 -6.255 -14.125 3.422 1.00 0.00 C ATOM 159 CD1 LEU A 15 -4.755 -14.030 3.655 1.00 0.00 C ATOM 160 CD2 LEU A 15 -6.932 -14.843 4.580 1.00 0.00 C ATOM 0 H LEU A 15 -7.332 -13.539 0.948 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.940 -13.262 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.188 -12.155 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.882 -12.232 4.197 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.426 -14.703 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.344 -15.030 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.282 -13.557 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.562 -13.435 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.491 -15.832 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.793 -14.268 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.997 -14.943 4.373 1.00 0.00 H new ATOM 172 N PRO A 16 -9.489 -10.833 3.618 1.00 0.00 N ATOM 173 CA PRO A 16 -10.035 -9.476 3.716 1.00 0.00 C ATOM 174 C PRO A 16 -8.949 -8.429 3.939 1.00 0.00 C ATOM 175 O PRO A 16 -8.203 -8.492 4.916 1.00 0.00 O ATOM 176 CB PRO A 16 -10.960 -9.553 4.933 1.00 0.00 C ATOM 177 CG PRO A 16 -10.409 -10.665 5.758 1.00 0.00 C ATOM 178 CD PRO A 16 -9.840 -11.659 4.784 1.00 0.00 C ATOM 0 HA PRO A 16 -10.539 -9.172 2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.965 -8.614 5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.989 -9.753 4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.640 -10.302 6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.188 -11.120 6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.967 -12.168 5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.566 -12.430 4.526 1.00 0.00 H new ATOM 186 N ALA A 17 -8.866 -7.466 3.026 1.00 0.00 N ATOM 187 CA ALA A 17 -7.872 -6.404 3.125 1.00 0.00 C ATOM 188 C ALA A 17 -8.522 -5.078 3.508 1.00 0.00 C ATOM 189 O ALA A 17 -9.326 -4.530 2.754 1.00 0.00 O ATOM 190 CB ALA A 17 -7.118 -6.264 1.811 1.00 0.00 C ATOM 0 H ALA A 17 -9.475 -7.400 2.210 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.165 -6.673 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.379 -5.468 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.614 -7.202 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.820 -6.022 1.013 1.00 0.00 H new ATOM 196 N ARG A 18 -8.169 -4.570 4.684 1.00 0.00 N ATOM 197 CA ARG A 18 -8.719 -3.310 5.168 1.00 0.00 C ATOM 198 C ARG A 18 -8.367 -2.164 4.223 1.00 0.00 C ATOM 199 O ARG A 18 -7.207 -1.762 4.124 1.00 0.00 O ATOM 200 CB ARG A 18 -8.195 -3.005 6.572 1.00 0.00 C ATOM 201 CG ARG A 18 -8.445 -4.124 7.571 1.00 0.00 C ATOM 202 CD ARG A 18 -8.433 -3.607 9.001 1.00 0.00 C ATOM 203 NE ARG A 18 -9.690 -2.957 9.360 1.00 0.00 N ATOM 204 CZ ARG A 18 -10.810 -3.620 9.628 1.00 0.00 C ATOM 205 NH1 ARG A 18 -10.827 -4.945 9.578 1.00 0.00 N ATOM 206 NH2 ARG A 18 -11.915 -2.958 9.946 1.00 0.00 N ATOM 0 H ARG A 18 -7.504 -5.012 5.319 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.804 -3.408 5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.124 -2.811 6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.666 -2.092 6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.406 -4.593 7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.682 -4.894 7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.246 -4.435 9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.612 -2.901 9.124 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.710 -1.938 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.979 -5.457 9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.688 -5.452 9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.906 -1.939 9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.774 -3.468 10.151 1.00 0.00 H new ATOM 220 N ILE A 19 -9.375 -1.644 3.530 1.00 0.00 N ATOM 221 CA ILE A 19 -9.171 -0.546 2.594 1.00 0.00 C ATOM 222 C ILE A 19 -8.956 0.772 3.332 1.00 0.00 C ATOM 223 O ILE A 19 -9.874 1.304 3.955 1.00 0.00 O ATOM 224 CB ILE A 19 -10.367 -0.395 1.635 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.678 -1.731 0.958 1.00 0.00 C ATOM 226 CG2 ILE A 19 -10.079 0.678 0.595 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.489 -2.340 0.249 1.00 0.00 C ATOM 0 H ILE A 19 -10.340 -1.966 3.599 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.279 -0.786 2.015 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.240 -0.090 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.042 -2.433 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.484 -1.586 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.933 0.773 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.902 1.630 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.196 0.400 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.783 -3.285 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.137 -1.657 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.689 -2.517 0.967 1.00 0.00 H new ATOM 239 N PHE A 20 -7.737 1.294 3.254 1.00 0.00 N ATOM 240 CA PHE A 20 -7.400 2.551 3.913 1.00 0.00 C ATOM 241 C PHE A 20 -7.122 3.646 2.888 1.00 0.00 C ATOM 242 O PHE A 20 -6.553 3.388 1.827 1.00 0.00 O ATOM 243 CB PHE A 20 -6.182 2.365 4.820 1.00 0.00 C ATOM 244 CG PHE A 20 -6.535 1.962 6.223 1.00 0.00 C ATOM 245 CD1 PHE A 20 -7.287 0.823 6.463 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.115 2.722 7.303 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.613 0.449 7.753 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.438 2.352 8.595 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.189 1.215 8.820 1.00 0.00 C ATOM 0 H PHE A 20 -6.966 0.867 2.741 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.254 2.854 4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.529 1.608 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.616 3.296 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.622 0.220 5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.529 3.613 7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.199 -0.442 7.926 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.103 2.952 9.428 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.444 0.926 9.829 1.00 0.00 H new ATOM 259 N VAL A 21 -7.529 4.869 3.212 1.00 0.00 N ATOM 260 CA VAL A 21 -7.324 6.004 2.320 1.00 0.00 C ATOM 261 C VAL A 21 -6.363 7.017 2.932 1.00 0.00 C ATOM 262 O VAL A 21 -6.374 7.247 4.140 1.00 0.00 O ATOM 263 CB VAL A 21 -8.655 6.708 1.994 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.031 7.680 3.102 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.564 7.424 0.654 1.00 0.00 C ATOM 0 H VAL A 21 -8.003 5.099 4.086 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.894 5.610 1.399 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.438 5.953 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.974 8.168 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.139 7.137 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.250 8.433 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.513 7.916 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.769 8.169 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.345 6.700 -0.131 1.00 0.00 H new ATOM 275 N ALA A 22 -5.532 7.620 2.088 1.00 0.00 N ATOM 276 CA ALA A 22 -4.565 8.610 2.545 1.00 0.00 C ATOM 277 C ALA A 22 -5.224 9.970 2.744 1.00 0.00 C ATOM 278 O ALA A 22 -5.877 10.494 1.840 1.00 0.00 O ATOM 279 CB ALA A 22 -3.414 8.720 1.555 1.00 0.00 C ATOM 0 H ALA A 22 -5.509 7.440 1.084 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.173 8.281 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.699 9.463 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.918 7.754 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.799 9.022 0.581 1.00 0.00 H new ATOM 285 N LEU A 23 -5.052 10.537 3.933 1.00 0.00 N ATOM 286 CA LEU A 23 -5.631 11.838 4.251 1.00 0.00 C ATOM 287 C LEU A 23 -4.707 12.969 3.812 1.00 0.00 C ATOM 288 O LEU A 23 -5.146 14.101 3.610 1.00 0.00 O ATOM 289 CB LEU A 23 -5.906 11.942 5.753 1.00 0.00 C ATOM 290 CG LEU A 23 -6.764 10.830 6.357 1.00 0.00 C ATOM 291 CD1 LEU A 23 -7.193 11.194 7.769 1.00 0.00 C ATOM 292 CD2 LEU A 23 -7.980 10.559 5.481 1.00 0.00 C ATOM 0 H LEU A 23 -4.517 10.117 4.693 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.571 11.932 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.950 11.961 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.395 12.897 5.947 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.165 9.921 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.803 10.391 8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.310 11.337 8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.774 12.116 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.579 9.765 5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.580 11.465 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.652 10.253 4.488 1.00 0.00 H new ATOM 304 N PHE A 24 -3.424 12.654 3.665 1.00 0.00 N ATOM 305 CA PHE A 24 -2.437 13.643 3.248 1.00 0.00 C ATOM 306 C PHE A 24 -1.256 12.973 2.552 1.00 0.00 C ATOM 307 O PHE A 24 -0.725 11.972 3.032 1.00 0.00 O ATOM 308 CB PHE A 24 -1.944 14.443 4.456 1.00 0.00 C ATOM 309 CG PHE A 24 -3.014 14.708 5.476 1.00 0.00 C ATOM 310 CD1 PHE A 24 -3.321 13.761 6.440 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.713 15.905 5.472 1.00 0.00 C ATOM 312 CE1 PHE A 24 -4.306 14.002 7.379 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.699 16.152 6.409 1.00 0.00 C ATOM 314 CZ PHE A 24 -4.994 15.199 7.365 1.00 0.00 C ATOM 0 H PHE A 24 -3.044 11.722 3.829 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.915 14.321 2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.126 13.901 4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.538 15.394 4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.784 12.824 6.458 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.485 16.654 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.537 13.254 8.123 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.238 17.088 6.394 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.762 15.390 8.100 1.00 0.00 H new ATOM 324 N ASP A 25 -0.851 13.533 1.417 1.00 0.00 N ATOM 325 CA ASP A 25 0.267 12.991 0.654 1.00 0.00 C ATOM 326 C ASP A 25 1.420 12.608 1.576 1.00 0.00 C ATOM 327 O ASP A 25 1.569 13.165 2.664 1.00 0.00 O ATOM 328 CB ASP A 25 0.744 14.009 -0.384 1.00 0.00 C ATOM 329 CG ASP A 25 1.001 15.375 0.220 1.00 0.00 C ATOM 330 OD1 ASP A 25 0.145 15.851 0.995 1.00 0.00 O ATOM 331 OD2 ASP A 25 2.057 15.969 -0.083 1.00 0.00 O ATOM 0 H ASP A 25 -1.280 14.362 1.005 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.077 12.093 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.658 13.644 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.004 14.098 -1.172 1.00 0.00 H new ATOM 336 N TYR A 26 2.232 11.654 1.135 1.00 0.00 N ATOM 337 CA TYR A 26 3.369 11.194 1.922 1.00 0.00 C ATOM 338 C TYR A 26 4.614 11.055 1.051 1.00 0.00 C ATOM 339 O TYR A 26 4.615 10.324 0.061 1.00 0.00 O ATOM 340 CB TYR A 26 3.047 9.855 2.588 1.00 0.00 C ATOM 341 CG TYR A 26 4.209 9.266 3.355 1.00 0.00 C ATOM 342 CD1 TYR A 26 5.183 10.082 3.917 1.00 0.00 C ATOM 343 CD2 TYR A 26 4.332 7.891 3.520 1.00 0.00 C ATOM 344 CE1 TYR A 26 6.246 9.548 4.618 1.00 0.00 C ATOM 345 CE2 TYR A 26 5.391 7.348 4.222 1.00 0.00 C ATOM 346 CZ TYR A 26 6.346 8.180 4.768 1.00 0.00 C ATOM 347 OH TYR A 26 7.403 7.644 5.467 1.00 0.00 O ATOM 0 H TYR A 26 2.124 11.184 0.236 1.00 0.00 H new ATOM 0 HA TYR A 26 3.569 11.937 2.694 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.205 9.990 3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.730 9.145 1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.107 11.153 3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.587 7.236 3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.995 10.197 5.047 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.471 6.278 4.343 1.00 0.00 H new ATOM 0 HH TYR A 26 7.064 7.046 6.165 1.00 0.00 H new ATOM 357 N ASP A 27 5.674 11.762 1.428 1.00 0.00 N ATOM 358 CA ASP A 27 6.927 11.718 0.684 1.00 0.00 C ATOM 359 C ASP A 27 8.066 11.218 1.567 1.00 0.00 C ATOM 360 O ASP A 27 8.692 11.979 2.305 1.00 0.00 O ATOM 361 CB ASP A 27 7.265 13.103 0.130 1.00 0.00 C ATOM 362 CG ASP A 27 6.530 13.406 -1.161 1.00 0.00 C ATOM 363 OD1 ASP A 27 6.777 12.703 -2.163 1.00 0.00 O ATOM 364 OD2 ASP A 27 5.708 14.346 -1.170 1.00 0.00 O ATOM 0 H ASP A 27 5.690 12.373 2.245 1.00 0.00 H new ATOM 0 HA ASP A 27 6.803 11.023 -0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.014 13.860 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.339 13.170 -0.043 1.00 0.00 H new ATOM 369 N PRO A 28 8.342 9.908 1.491 1.00 0.00 N ATOM 370 CA PRO A 28 9.406 9.276 2.277 1.00 0.00 C ATOM 371 C PRO A 28 10.797 9.696 1.812 1.00 0.00 C ATOM 372 O PRO A 28 11.797 9.405 2.470 1.00 0.00 O ATOM 373 CB PRO A 28 9.189 7.781 2.031 1.00 0.00 C ATOM 374 CG PRO A 28 8.496 7.710 0.714 1.00 0.00 C ATOM 375 CD PRO A 28 7.637 8.942 0.632 1.00 0.00 C ATOM 0 HA PRO A 28 9.360 9.560 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.136 7.242 2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.585 7.333 2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.215 7.680 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.891 6.806 0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.550 9.304 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.625 8.751 0.989 1.00 0.00 H new ATOM 383 N LEU A 29 10.854 10.381 0.676 1.00 0.00 N ATOM 384 CA LEU A 29 12.123 10.842 0.123 1.00 0.00 C ATOM 385 C LEU A 29 12.380 12.300 0.491 1.00 0.00 C ATOM 386 O LEU A 29 13.515 12.774 0.442 1.00 0.00 O ATOM 387 CB LEU A 29 12.128 10.679 -1.398 1.00 0.00 C ATOM 388 CG LEU A 29 11.722 9.303 -1.927 1.00 0.00 C ATOM 389 CD1 LEU A 29 11.394 9.378 -3.410 1.00 0.00 C ATOM 390 CD2 LEU A 29 12.826 8.287 -1.673 1.00 0.00 C ATOM 0 H LEU A 29 10.036 10.630 0.119 1.00 0.00 H new ATOM 0 HA LEU A 29 12.920 10.233 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.456 11.423 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.129 10.906 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 29 10.828 8.978 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.107 8.390 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.570 10.074 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.270 9.724 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.520 7.314 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.737 8.606 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.013 8.213 -0.602 1.00 0.00 H new ATOM 402 N THR A 30 11.317 13.007 0.862 1.00 0.00 N ATOM 403 CA THR A 30 11.427 14.411 1.239 1.00 0.00 C ATOM 404 C THR A 30 10.980 14.629 2.680 1.00 0.00 C ATOM 405 O THR A 30 10.789 15.765 3.115 1.00 0.00 O ATOM 406 CB THR A 30 10.587 15.309 0.311 1.00 0.00 C ATOM 407 OG1 THR A 30 9.251 15.421 0.815 1.00 0.00 O ATOM 408 CG2 THR A 30 10.556 14.749 -1.102 1.00 0.00 C ATOM 0 H THR A 30 10.370 12.630 0.909 1.00 0.00 H new ATOM 0 HA THR A 30 12.478 14.684 1.142 1.00 0.00 H new ATOM 0 HB THR A 30 11.048 16.296 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.724 15.995 0.220 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.957 15.400 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.572 14.693 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.117 13.751 -1.088 1.00 0.00 H new ATOM 416 N MET A 31 10.816 13.535 3.416 1.00 0.00 N ATOM 417 CA MET A 31 10.394 13.608 4.810 1.00 0.00 C ATOM 418 C MET A 31 11.324 12.794 5.704 1.00 0.00 C ATOM 419 O MET A 31 11.891 13.316 6.664 1.00 0.00 O ATOM 420 CB MET A 31 8.957 13.105 4.957 1.00 0.00 C ATOM 421 CG MET A 31 7.924 14.022 4.324 1.00 0.00 C ATOM 422 SD MET A 31 6.317 13.924 5.135 1.00 0.00 S ATOM 423 CE MET A 31 5.240 14.504 3.827 1.00 0.00 C ATOM 0 H MET A 31 10.969 12.588 3.071 1.00 0.00 H new ATOM 0 HA MET A 31 10.440 14.651 5.123 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.879 12.116 4.505 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.728 12.990 6.016 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.284 15.050 4.363 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.811 13.764 3.271 1.00 0.00 H new ATOM 0 HE1 MET A 31 4.961 15.540 4.018 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.760 14.439 2.871 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.342 13.886 3.794 1.00 0.00 H new ATOM 433 N SER A 32 11.476 11.514 5.382 1.00 0.00 N ATOM 434 CA SER A 32 12.334 10.627 6.158 1.00 0.00 C ATOM 435 C SER A 32 13.773 11.134 6.167 1.00 0.00 C ATOM 436 O SER A 32 14.281 11.654 5.173 1.00 0.00 O ATOM 437 CB SER A 32 12.285 9.208 5.589 1.00 0.00 C ATOM 438 OG SER A 32 12.967 8.296 6.432 1.00 0.00 O ATOM 0 H SER A 32 11.016 11.068 4.589 1.00 0.00 H new ATOM 0 HA SER A 32 11.966 10.612 7.184 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.247 8.895 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.734 9.195 4.596 1.00 0.00 H new ATOM 0 HG SER A 32 13.741 7.927 5.957 1.00 0.00 H new ATOM 444 N PRO A 33 14.447 10.979 7.316 1.00 0.00 N ATOM 445 CA PRO A 33 15.837 11.414 7.484 1.00 0.00 C ATOM 446 C PRO A 33 16.813 10.559 6.682 1.00 0.00 C ATOM 447 O PRO A 33 17.845 11.044 6.222 1.00 0.00 O ATOM 448 CB PRO A 33 16.084 11.243 8.985 1.00 0.00 C ATOM 449 CG PRO A 33 15.119 10.191 9.410 1.00 0.00 C ATOM 450 CD PRO A 33 13.905 10.367 8.541 1.00 0.00 C ATOM 0 HA PRO A 33 15.991 12.432 7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 33 17.112 10.941 9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.915 12.176 9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.547 9.196 9.286 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.863 10.299 10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.419 9.414 8.333 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.161 11.008 9.015 1.00 0.00 H new ATOM 458 N ASN A 34 16.478 9.283 6.520 1.00 0.00 N ATOM 459 CA ASN A 34 17.326 8.359 5.774 1.00 0.00 C ATOM 460 C ASN A 34 16.594 7.818 4.549 1.00 0.00 C ATOM 461 O ASN A 34 15.487 7.288 4.641 1.00 0.00 O ATOM 462 CB ASN A 34 17.767 7.201 6.671 1.00 0.00 C ATOM 463 CG ASN A 34 18.712 6.249 5.963 1.00 0.00 C ATOM 464 OD1 ASN A 34 18.757 6.202 4.734 1.00 0.00 O ATOM 465 ND2 ASN A 34 19.471 5.484 6.739 1.00 0.00 N ATOM 0 H ASN A 34 15.626 8.865 6.895 1.00 0.00 H new ATOM 0 HA ASN A 34 18.207 8.905 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 34 18.256 7.599 7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.888 6.652 7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 34 20.125 4.823 6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 34 19.400 5.557 7.754 1.00 0.00 H new ATOM 472 N PRO A 35 17.227 7.954 3.374 1.00 0.00 N ATOM 473 CA PRO A 35 16.655 7.484 2.109 1.00 0.00 C ATOM 474 C PRO A 35 16.613 5.962 2.022 1.00 0.00 C ATOM 475 O PRO A 35 15.642 5.386 1.531 1.00 0.00 O ATOM 476 CB PRO A 35 17.609 8.053 1.056 1.00 0.00 C ATOM 477 CG PRO A 35 18.904 8.227 1.772 1.00 0.00 C ATOM 478 CD PRO A 35 18.549 8.576 3.191 1.00 0.00 C ATOM 0 HA PRO A 35 15.621 7.805 1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.713 7.375 0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.244 9.002 0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.498 7.314 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.500 9.016 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.280 8.182 3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.510 9.655 3.342 1.00 0.00 H new ATOM 486 N ASP A 36 17.671 5.317 2.501 1.00 0.00 N ATOM 487 CA ASP A 36 17.753 3.861 2.479 1.00 0.00 C ATOM 488 C ASP A 36 16.594 3.239 3.251 1.00 0.00 C ATOM 489 O ASP A 36 15.880 2.381 2.733 1.00 0.00 O ATOM 490 CB ASP A 36 19.085 3.396 3.070 1.00 0.00 C ATOM 491 CG ASP A 36 20.175 3.282 2.023 1.00 0.00 C ATOM 492 OD1 ASP A 36 19.891 2.760 0.924 1.00 0.00 O ATOM 493 OD2 ASP A 36 21.313 3.715 2.303 1.00 0.00 O ATOM 0 H ASP A 36 18.484 5.779 2.909 1.00 0.00 H new ATOM 0 HA ASP A 36 17.690 3.533 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.400 4.096 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.947 2.429 3.553 1.00 0.00 H new ATOM 498 N ALA A 37 16.414 3.677 4.493 1.00 0.00 N ATOM 499 CA ALA A 37 15.342 3.164 5.336 1.00 0.00 C ATOM 500 C ALA A 37 13.975 3.562 4.789 1.00 0.00 C ATOM 501 O ALA A 37 12.972 2.905 5.061 1.00 0.00 O ATOM 502 CB ALA A 37 15.508 3.664 6.763 1.00 0.00 C ATOM 0 H ALA A 37 16.997 4.386 4.937 1.00 0.00 H new ATOM 0 HA ALA A 37 15.401 2.076 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.700 3.273 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.465 3.324 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.478 4.754 6.773 1.00 0.00 H new ATOM 508 N ALA A 38 13.945 4.644 4.018 1.00 0.00 N ATOM 509 CA ALA A 38 12.701 5.129 3.432 1.00 0.00 C ATOM 510 C ALA A 38 12.060 4.066 2.546 1.00 0.00 C ATOM 511 O ALA A 38 10.864 4.122 2.262 1.00 0.00 O ATOM 512 CB ALA A 38 12.954 6.401 2.635 1.00 0.00 C ATOM 0 H ALA A 38 14.767 5.201 3.785 1.00 0.00 H new ATOM 0 HA ALA A 38 12.009 5.353 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.017 6.752 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.360 7.169 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.667 6.194 1.837 1.00 0.00 H new ATOM 518 N GLU A 39 12.864 3.100 2.112 1.00 0.00 N ATOM 519 CA GLU A 39 12.374 2.026 1.257 1.00 0.00 C ATOM 520 C GLU A 39 11.198 1.304 1.910 1.00 0.00 C ATOM 521 O GLU A 39 10.194 1.018 1.260 1.00 0.00 O ATOM 522 CB GLU A 39 13.496 1.029 0.958 1.00 0.00 C ATOM 523 CG GLU A 39 14.316 1.387 -0.270 1.00 0.00 C ATOM 524 CD GLU A 39 15.566 0.539 -0.403 1.00 0.00 C ATOM 525 OE1 GLU A 39 15.472 -0.570 -0.970 1.00 0.00 O ATOM 526 OE2 GLU A 39 16.638 0.984 0.059 1.00 0.00 O ATOM 0 H GLU A 39 13.857 3.040 2.339 1.00 0.00 H new ATOM 0 HA GLU A 39 12.032 2.469 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.158 0.970 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.063 0.038 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.701 1.264 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.598 2.439 -0.220 1.00 0.00 H new ATOM 533 N GLU A 40 11.334 1.012 3.200 1.00 0.00 N ATOM 534 CA GLU A 40 10.284 0.323 3.941 1.00 0.00 C ATOM 535 C GLU A 40 8.975 1.106 3.887 1.00 0.00 C ATOM 536 O GLU A 40 7.892 0.523 3.873 1.00 0.00 O ATOM 537 CB GLU A 40 10.707 0.116 5.397 1.00 0.00 C ATOM 538 CG GLU A 40 12.028 -0.618 5.548 1.00 0.00 C ATOM 539 CD GLU A 40 11.895 -2.112 5.321 1.00 0.00 C ATOM 540 OE1 GLU A 40 11.126 -2.758 6.063 1.00 0.00 O ATOM 541 OE2 GLU A 40 12.559 -2.634 4.401 1.00 0.00 O ATOM 0 H GLU A 40 12.160 1.242 3.753 1.00 0.00 H new ATOM 0 HA GLU A 40 10.125 -0.649 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.783 1.087 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.929 -0.443 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.749 -0.210 4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.426 -0.440 6.547 1.00 0.00 H new ATOM 548 N GLU A 41 9.086 2.431 3.856 1.00 0.00 N ATOM 549 CA GLU A 41 7.912 3.294 3.805 1.00 0.00 C ATOM 550 C GLU A 41 7.290 3.284 2.411 1.00 0.00 C ATOM 551 O GLU A 41 7.997 3.240 1.404 1.00 0.00 O ATOM 552 CB GLU A 41 8.285 4.724 4.199 1.00 0.00 C ATOM 553 CG GLU A 41 8.640 4.878 5.669 1.00 0.00 C ATOM 554 CD GLU A 41 9.468 6.118 5.942 1.00 0.00 C ATOM 555 OE1 GLU A 41 10.044 6.671 4.983 1.00 0.00 O ATOM 556 OE2 GLU A 41 9.540 6.535 7.117 1.00 0.00 O ATOM 0 H GLU A 41 9.976 2.929 3.865 1.00 0.00 H new ATOM 0 HA GLU A 41 7.179 2.910 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.131 5.050 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.451 5.386 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.724 4.921 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.191 3.998 6.000 1.00 0.00 H new ATOM 563 N LEU A 42 5.963 3.325 2.361 1.00 0.00 N ATOM 564 CA LEU A 42 5.245 3.321 1.092 1.00 0.00 C ATOM 565 C LEU A 42 4.620 4.685 0.815 1.00 0.00 C ATOM 566 O LEU A 42 3.679 5.112 1.485 1.00 0.00 O ATOM 567 CB LEU A 42 4.159 2.243 1.101 1.00 0.00 C ATOM 568 CG LEU A 42 3.855 1.585 -0.245 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.710 0.595 -0.109 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.529 2.640 -1.293 1.00 0.00 C ATOM 0 H LEU A 42 5.363 3.361 3.185 1.00 0.00 H new ATOM 0 HA LEU A 42 5.960 3.102 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.454 1.465 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.239 2.686 1.482 1.00 0.00 H new ATOM 0 HG LEU A 42 4.742 1.041 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.508 0.137 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.981 -0.179 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.818 1.116 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.315 2.154 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.658 3.212 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.380 3.310 -1.411 1.00 0.00 H new ATOM 582 N PRO A 43 5.154 5.386 -0.196 1.00 0.00 N ATOM 583 CA PRO A 43 4.662 6.711 -0.587 1.00 0.00 C ATOM 584 C PRO A 43 3.280 6.651 -1.228 1.00 0.00 C ATOM 585 O PRO A 43 2.982 5.739 -2.000 1.00 0.00 O ATOM 586 CB PRO A 43 5.702 7.190 -1.602 1.00 0.00 C ATOM 587 CG PRO A 43 6.292 5.940 -2.159 1.00 0.00 C ATOM 588 CD PRO A 43 6.277 4.940 -1.037 1.00 0.00 C ATOM 0 HA PRO A 43 4.548 7.373 0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.243 7.794 -2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.463 7.809 -1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.713 5.581 -3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.308 6.113 -2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.125 3.925 -1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.217 4.941 -0.485 1.00 0.00 H new ATOM 596 N PHE A 44 2.440 7.628 -0.904 1.00 0.00 N ATOM 597 CA PHE A 44 1.088 7.686 -1.449 1.00 0.00 C ATOM 598 C PHE A 44 0.520 9.099 -1.347 1.00 0.00 C ATOM 599 O PHE A 44 0.820 9.834 -0.406 1.00 0.00 O ATOM 600 CB PHE A 44 0.176 6.703 -0.711 1.00 0.00 C ATOM 601 CG PHE A 44 0.206 6.863 0.782 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.486 7.895 1.396 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.925 5.981 1.572 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.460 8.044 2.769 1.00 0.00 C ATOM 605 CE2 PHE A 44 0.955 6.125 2.947 1.00 0.00 C ATOM 606 CZ PHE A 44 0.261 7.158 3.546 1.00 0.00 C ATOM 0 H PHE A 44 2.671 8.390 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 44 1.135 7.408 -2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.847 6.835 -1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.471 5.685 -0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.052 8.591 0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.469 5.171 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.003 8.853 3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.520 5.431 3.551 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.282 7.273 4.620 1.00 0.00 H new ATOM 616 N LYS A 45 -0.301 9.471 -2.323 1.00 0.00 N ATOM 617 CA LYS A 45 -0.912 10.795 -2.345 1.00 0.00 C ATOM 618 C LYS A 45 -2.284 10.772 -1.678 1.00 0.00 C ATOM 619 O LYS A 45 -2.897 9.715 -1.537 1.00 0.00 O ATOM 620 CB LYS A 45 -1.042 11.295 -3.785 1.00 0.00 C ATOM 621 CG LYS A 45 -2.033 10.501 -4.618 1.00 0.00 C ATOM 622 CD LYS A 45 -3.466 10.905 -4.314 1.00 0.00 C ATOM 623 CE LYS A 45 -4.391 10.600 -5.483 1.00 0.00 C ATOM 624 NZ LYS A 45 -4.426 11.717 -6.468 1.00 0.00 N ATOM 0 H LYS A 45 -0.559 8.874 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.268 11.475 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.348 12.341 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.064 11.255 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.827 10.657 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.904 9.437 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.814 10.377 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.504 11.970 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.060 9.688 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.398 10.413 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.067 11.471 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.766 12.582 -6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.470 11.879 -6.843 1.00 0.00 H new ATOM 638 N GLU A 46 -2.759 11.945 -1.271 1.00 0.00 N ATOM 639 CA GLU A 46 -4.058 12.058 -0.620 1.00 0.00 C ATOM 640 C GLU A 46 -5.166 11.514 -1.518 1.00 0.00 C ATOM 641 O GLU A 46 -5.264 11.875 -2.690 1.00 0.00 O ATOM 642 CB GLU A 46 -4.349 13.516 -0.260 1.00 0.00 C ATOM 643 CG GLU A 46 -5.585 13.696 0.605 1.00 0.00 C ATOM 644 CD GLU A 46 -5.979 15.151 0.765 1.00 0.00 C ATOM 645 OE1 GLU A 46 -5.087 15.981 1.041 1.00 0.00 O ATOM 646 OE2 GLU A 46 -7.179 15.460 0.615 1.00 0.00 O ATOM 0 H GLU A 46 -2.264 12.830 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.030 11.465 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.487 13.931 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.472 14.090 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.416 13.145 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.402 13.263 1.588 1.00 0.00 H new ATOM 653 N GLY A 47 -5.999 10.641 -0.958 1.00 0.00 N ATOM 654 CA GLY A 47 -7.088 10.060 -1.721 1.00 0.00 C ATOM 655 C GLY A 47 -6.700 8.752 -2.381 1.00 0.00 C ATOM 656 O GLY A 47 -7.455 8.209 -3.187 1.00 0.00 O ATOM 0 H GLY A 47 -5.939 10.326 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.940 9.892 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.410 10.767 -2.485 1.00 0.00 H new ATOM 660 N GLN A 48 -5.519 8.246 -2.041 1.00 0.00 N ATOM 661 CA GLN A 48 -5.032 6.995 -2.609 1.00 0.00 C ATOM 662 C GLN A 48 -5.489 5.804 -1.773 1.00 0.00 C ATOM 663 O GLN A 48 -5.590 5.894 -0.549 1.00 0.00 O ATOM 664 CB GLN A 48 -3.505 7.012 -2.700 1.00 0.00 C ATOM 665 CG GLN A 48 -2.927 5.826 -3.455 1.00 0.00 C ATOM 666 CD GLN A 48 -1.421 5.907 -3.605 1.00 0.00 C ATOM 667 OE1 GLN A 48 -0.906 6.681 -4.413 1.00 0.00 O ATOM 668 NE2 GLN A 48 -0.705 5.105 -2.825 1.00 0.00 N ATOM 0 H GLN A 48 -4.882 8.683 -1.375 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.448 6.894 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.189 7.933 -3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.089 7.028 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.187 4.906 -2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.384 5.771 -4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.174 4.479 -2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.313 5.115 -2.881 1.00 0.00 H new ATOM 677 N ILE A 49 -5.765 4.689 -2.442 1.00 0.00 N ATOM 678 CA ILE A 49 -6.211 3.481 -1.761 1.00 0.00 C ATOM 679 C ILE A 49 -5.048 2.526 -1.517 1.00 0.00 C ATOM 680 O ILE A 49 -4.343 2.139 -2.450 1.00 0.00 O ATOM 681 CB ILE A 49 -7.300 2.749 -2.568 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.343 3.745 -3.078 1.00 0.00 C ATOM 683 CG2 ILE A 49 -7.959 1.675 -1.715 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.115 4.432 -1.973 1.00 0.00 C ATOM 0 H ILE A 49 -5.687 4.598 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.628 3.795 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.833 2.268 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.845 4.500 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.044 3.223 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.726 1.167 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.208 0.953 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.416 2.135 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.836 5.124 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.642 3.685 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.424 4.983 -1.335 1.00 0.00 H new ATOM 696 N ILE A 50 -4.853 2.148 -0.258 1.00 0.00 N ATOM 697 CA ILE A 50 -3.777 1.236 0.108 1.00 0.00 C ATOM 698 C ILE A 50 -4.326 -0.031 0.755 1.00 0.00 C ATOM 699 O ILE A 50 -4.879 0.010 1.855 1.00 0.00 O ATOM 700 CB ILE A 50 -2.779 1.902 1.074 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.269 3.219 0.487 1.00 0.00 C ATOM 702 CG2 ILE A 50 -1.620 0.962 1.368 1.00 0.00 C ATOM 703 CD1 ILE A 50 -1.636 4.133 1.513 1.00 0.00 C ATOM 0 H ILE A 50 -5.427 2.460 0.526 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.258 0.974 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.292 2.119 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.539 3.001 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.099 3.741 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.923 1.446 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.000 0.048 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.105 0.717 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.297 5.047 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.369 4.381 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.785 3.630 1.972 1.00 0.00 H new ATOM 715 N LYS A 51 -4.168 -1.156 0.067 1.00 0.00 N ATOM 716 CA LYS A 51 -4.645 -2.437 0.575 1.00 0.00 C ATOM 717 C LYS A 51 -3.832 -2.878 1.788 1.00 0.00 C ATOM 718 O LYS A 51 -2.751 -3.450 1.649 1.00 0.00 O ATOM 719 CB LYS A 51 -4.567 -3.504 -0.519 1.00 0.00 C ATOM 720 CG LYS A 51 -5.671 -3.394 -1.556 1.00 0.00 C ATOM 721 CD LYS A 51 -5.616 -4.539 -2.553 1.00 0.00 C ATOM 722 CE LYS A 51 -6.768 -4.471 -3.545 1.00 0.00 C ATOM 723 NZ LYS A 51 -6.494 -3.507 -4.647 1.00 0.00 N ATOM 0 H LYS A 51 -3.713 -1.207 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.684 -2.314 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.601 -3.429 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.611 -4.490 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.640 -3.391 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.581 -2.445 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.669 -4.509 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.649 -5.489 -2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.945 -5.461 -3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.679 -4.178 -3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.302 -3.489 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.350 -2.557 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.639 -3.801 -5.161 1.00 0.00 H new ATOM 737 N VAL A 52 -4.361 -2.610 2.978 1.00 0.00 N ATOM 738 CA VAL A 52 -3.685 -2.981 4.216 1.00 0.00 C ATOM 739 C VAL A 52 -3.831 -4.473 4.495 1.00 0.00 C ATOM 740 O VAL A 52 -4.907 -5.045 4.321 1.00 0.00 O ATOM 741 CB VAL A 52 -4.237 -2.189 5.416 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.766 -2.804 6.725 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.823 -0.728 5.325 1.00 0.00 C ATOM 0 H VAL A 52 -5.255 -2.138 3.111 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.630 -2.740 4.086 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.326 -2.237 5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.166 -2.231 7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.117 -3.834 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.677 -2.789 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.221 -0.183 6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.735 -0.657 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.215 -0.295 4.405 1.00 0.00 H new ATOM 753 N TYR A 53 -2.743 -5.096 4.931 1.00 0.00 N ATOM 754 CA TYR A 53 -2.748 -6.523 5.233 1.00 0.00 C ATOM 755 C TYR A 53 -2.275 -6.779 6.661 1.00 0.00 C ATOM 756 O TYR A 53 -1.146 -6.448 7.021 1.00 0.00 O ATOM 757 CB TYR A 53 -1.858 -7.278 4.245 1.00 0.00 C ATOM 758 CG TYR A 53 -2.334 -7.193 2.813 1.00 0.00 C ATOM 759 CD1 TYR A 53 -3.536 -7.772 2.424 1.00 0.00 C ATOM 760 CD2 TYR A 53 -1.583 -6.532 1.849 1.00 0.00 C ATOM 761 CE1 TYR A 53 -3.975 -7.697 1.116 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.015 -6.451 0.539 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.211 -7.035 0.178 1.00 0.00 C ATOM 764 OH TYR A 53 -3.645 -6.957 -1.126 1.00 0.00 O ATOM 0 H TYR A 53 -1.846 -4.636 5.084 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.772 -6.885 5.138 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.844 -6.882 4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.809 -8.326 4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.137 -8.290 3.157 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.646 -6.074 2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.911 -8.154 0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.419 -5.933 -0.198 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.992 -6.457 -1.659 1.00 0.00 H new ATOM 774 N GLY A 54 -3.148 -7.372 7.470 1.00 0.00 N ATOM 775 CA GLY A 54 -2.802 -7.664 8.848 1.00 0.00 C ATOM 776 C GLY A 54 -2.627 -6.409 9.680 1.00 0.00 C ATOM 777 O GLY A 54 -2.694 -5.296 9.159 1.00 0.00 O ATOM 0 H GLY A 54 -4.089 -7.655 7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.581 -8.284 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.880 -8.244 8.873 1.00 0.00 H new ATOM 781 N ASP A 55 -2.403 -6.587 10.978 1.00 0.00 N ATOM 782 CA ASP A 55 -2.218 -5.460 11.884 1.00 0.00 C ATOM 783 C ASP A 55 -0.921 -4.720 11.573 1.00 0.00 C ATOM 784 O ASP A 55 -0.181 -5.096 10.664 1.00 0.00 O ATOM 785 CB ASP A 55 -2.210 -5.941 13.336 1.00 0.00 C ATOM 786 CG ASP A 55 -0.819 -6.307 13.816 1.00 0.00 C ATOM 787 OD1 ASP A 55 -0.265 -7.310 13.321 1.00 0.00 O ATOM 788 OD2 ASP A 55 -0.285 -5.590 14.689 1.00 0.00 O ATOM 0 H ASP A 55 -2.345 -7.502 11.426 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.051 -4.771 11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.619 -5.160 13.977 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.864 -6.807 13.433 1.00 0.00 H new ATOM 793 N LYS A 56 -0.652 -3.663 12.333 1.00 0.00 N ATOM 794 CA LYS A 56 0.555 -2.869 12.139 1.00 0.00 C ATOM 795 C LYS A 56 1.649 -3.297 13.112 1.00 0.00 C ATOM 796 O LYS A 56 1.373 -3.630 14.265 1.00 0.00 O ATOM 797 CB LYS A 56 0.247 -1.381 12.324 1.00 0.00 C ATOM 798 CG LYS A 56 -0.599 -1.083 13.550 1.00 0.00 C ATOM 799 CD LYS A 56 -0.747 0.412 13.776 1.00 0.00 C ATOM 800 CE LYS A 56 -0.955 0.736 15.248 1.00 0.00 C ATOM 801 NZ LYS A 56 -1.440 2.130 15.445 1.00 0.00 N ATOM 0 H LYS A 56 -1.254 -3.337 13.089 1.00 0.00 H new ATOM 0 HA LYS A 56 0.911 -3.036 11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.185 -0.831 12.398 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.270 -1.013 11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.585 -1.533 13.431 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.143 -1.541 14.428 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.143 0.926 13.412 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.591 0.787 13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.674 0.037 15.676 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.017 0.598 15.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.124 2.152 16.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.635 2.749 15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.900 2.464 14.574 1.00 0.00 H new ATOM 815 N ASP A 57 2.891 -3.284 12.641 1.00 0.00 N ATOM 816 CA ASP A 57 4.028 -3.668 13.470 1.00 0.00 C ATOM 817 C ASP A 57 4.023 -2.900 14.788 1.00 0.00 C ATOM 818 O ASP A 57 3.124 -2.101 15.049 1.00 0.00 O ATOM 819 CB ASP A 57 5.339 -3.418 12.724 1.00 0.00 C ATOM 820 CG ASP A 57 5.242 -2.255 11.757 1.00 0.00 C ATOM 821 OD1 ASP A 57 5.036 -1.114 12.221 1.00 0.00 O ATOM 822 OD2 ASP A 57 5.370 -2.485 10.536 1.00 0.00 O ATOM 0 H ASP A 57 3.136 -3.012 11.689 1.00 0.00 H new ATOM 0 HA ASP A 57 3.943 -4.732 13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.132 -3.222 13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.620 -4.318 12.178 1.00 0.00 H new ATOM 827 N ALA A 58 5.033 -3.148 15.615 1.00 0.00 N ATOM 828 CA ALA A 58 5.146 -2.479 16.905 1.00 0.00 C ATOM 829 C ALA A 58 5.187 -0.964 16.736 1.00 0.00 C ATOM 830 O ALA A 58 4.481 -0.233 17.431 1.00 0.00 O ATOM 831 CB ALA A 58 6.385 -2.963 17.644 1.00 0.00 C ATOM 0 H ALA A 58 5.785 -3.807 15.415 1.00 0.00 H new ATOM 0 HA ALA A 58 4.264 -2.729 17.494 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.457 -2.455 18.606 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.315 -4.039 17.806 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.272 -2.743 17.050 1.00 0.00 H new ATOM 837 N ASP A 59 6.019 -0.499 15.810 1.00 0.00 N ATOM 838 CA ASP A 59 6.151 0.930 15.550 1.00 0.00 C ATOM 839 C ASP A 59 4.784 1.574 15.344 1.00 0.00 C ATOM 840 O ASP A 59 4.535 2.687 15.805 1.00 0.00 O ATOM 841 CB ASP A 59 7.030 1.166 14.321 1.00 0.00 C ATOM 842 CG ASP A 59 8.508 1.183 14.660 1.00 0.00 C ATOM 843 OD1 ASP A 59 8.946 2.121 15.359 1.00 0.00 O ATOM 844 OD2 ASP A 59 9.226 0.257 14.228 1.00 0.00 O ATOM 0 H ASP A 59 6.612 -1.090 15.227 1.00 0.00 H new ATOM 0 HA ASP A 59 6.622 1.391 16.419 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.838 0.385 13.585 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.756 2.114 13.858 1.00 0.00 H new ATOM 849 N GLY A 60 3.900 0.865 14.648 1.00 0.00 N ATOM 850 CA GLY A 60 2.569 1.384 14.393 1.00 0.00 C ATOM 851 C GLY A 60 2.343 1.706 12.929 1.00 0.00 C ATOM 852 O GLY A 60 1.741 2.726 12.595 1.00 0.00 O ATOM 0 H GLY A 60 4.082 -0.059 14.256 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.829 0.654 14.720 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.413 2.284 14.988 1.00 0.00 H new ATOM 856 N PHE A 61 2.829 0.834 12.051 1.00 0.00 N ATOM 857 CA PHE A 61 2.680 1.031 10.614 1.00 0.00 C ATOM 858 C PHE A 61 1.809 -0.062 10.003 1.00 0.00 C ATOM 859 O PHE A 61 1.942 -1.239 10.341 1.00 0.00 O ATOM 860 CB PHE A 61 4.051 1.047 9.935 1.00 0.00 C ATOM 861 CG PHE A 61 4.729 2.387 9.983 1.00 0.00 C ATOM 862 CD1 PHE A 61 4.486 3.336 9.004 1.00 0.00 C ATOM 863 CD2 PHE A 61 5.608 2.697 11.008 1.00 0.00 C ATOM 864 CE1 PHE A 61 5.109 4.569 9.045 1.00 0.00 C ATOM 865 CE2 PHE A 61 6.233 3.928 11.056 1.00 0.00 C ATOM 866 CZ PHE A 61 5.983 4.866 10.073 1.00 0.00 C ATOM 0 H PHE A 61 3.330 -0.016 12.310 1.00 0.00 H new ATOM 0 HA PHE A 61 2.192 1.992 10.453 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.693 0.307 10.413 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.936 0.744 8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.802 3.110 8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.807 1.967 11.779 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.913 5.300 8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.916 4.157 11.861 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.470 5.829 10.108 1.00 0.00 H new ATOM 876 N TYR A 62 0.918 0.335 9.101 1.00 0.00 N ATOM 877 CA TYR A 62 0.023 -0.610 8.444 1.00 0.00 C ATOM 878 C TYR A 62 0.569 -1.020 7.080 1.00 0.00 C ATOM 879 O TYR A 62 0.352 -0.334 6.081 1.00 0.00 O ATOM 880 CB TYR A 62 -1.371 0.001 8.286 1.00 0.00 C ATOM 881 CG TYR A 62 -2.188 -0.017 9.558 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.328 -1.182 10.301 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.819 1.133 10.017 1.00 0.00 C ATOM 884 CE1 TYR A 62 -3.075 -1.203 11.463 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.567 1.122 11.179 1.00 0.00 C ATOM 886 CZ TYR A 62 -3.692 -0.049 11.898 1.00 0.00 C ATOM 887 OH TYR A 62 -4.435 -0.065 13.056 1.00 0.00 O ATOM 0 H TYR A 62 0.796 1.305 8.808 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.047 -1.500 9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.270 1.031 7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.911 -0.542 7.510 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.845 -2.087 9.965 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.723 2.051 9.456 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.175 -2.118 12.028 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.051 2.025 11.522 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.801 0.829 13.222 1.00 0.00 H new ATOM 897 N ARG A 63 1.279 -2.143 7.047 1.00 0.00 N ATOM 898 CA ARG A 63 1.857 -2.645 5.807 1.00 0.00 C ATOM 899 C ARG A 63 0.775 -2.875 4.756 1.00 0.00 C ATOM 900 O ARG A 63 0.094 -3.900 4.765 1.00 0.00 O ATOM 901 CB ARG A 63 2.618 -3.947 6.064 1.00 0.00 C ATOM 902 CG ARG A 63 3.769 -4.180 5.099 1.00 0.00 C ATOM 903 CD ARG A 63 4.178 -5.645 5.064 1.00 0.00 C ATOM 904 NE ARG A 63 3.288 -6.441 4.223 1.00 0.00 N ATOM 905 CZ ARG A 63 3.634 -7.604 3.682 1.00 0.00 C ATOM 906 NH1 ARG A 63 4.845 -8.102 3.892 1.00 0.00 N ATOM 907 NH2 ARG A 63 2.769 -8.270 2.928 1.00 0.00 N ATOM 0 H ARG A 63 1.468 -2.722 7.865 1.00 0.00 H new ATOM 0 HA ARG A 63 2.552 -1.894 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.006 -3.936 7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.923 -4.784 5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.478 -3.858 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.622 -3.570 5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.199 -5.728 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.175 -6.047 6.077 1.00 0.00 H new ATOM 0 HE ARG A 63 2.350 -6.085 4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.513 -7.592 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.108 -8.995 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.837 -7.889 2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.036 -9.163 2.513 1.00 0.00 H new ATOM 921 N GLY A 64 0.621 -1.913 3.851 1.00 0.00 N ATOM 922 CA GLY A 64 -0.380 -2.030 2.807 1.00 0.00 C ATOM 923 C GLY A 64 0.214 -1.914 1.418 1.00 0.00 C ATOM 924 O GLY A 64 1.378 -1.545 1.263 1.00 0.00 O ATOM 0 H GLY A 64 1.172 -1.055 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.889 -2.989 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.134 -1.254 2.942 1.00 0.00 H new ATOM 928 N GLU A 65 -0.586 -2.231 0.405 1.00 0.00 N ATOM 929 CA GLU A 65 -0.130 -2.162 -0.979 1.00 0.00 C ATOM 930 C GLU A 65 -0.891 -1.087 -1.750 1.00 0.00 C ATOM 931 O GLU A 65 -2.063 -0.824 -1.479 1.00 0.00 O ATOM 932 CB GLU A 65 -0.306 -3.518 -1.665 1.00 0.00 C ATOM 933 CG GLU A 65 0.024 -3.497 -3.148 1.00 0.00 C ATOM 934 CD GLU A 65 -0.601 -4.656 -3.901 1.00 0.00 C ATOM 935 OE1 GLU A 65 -0.286 -5.818 -3.570 1.00 0.00 O ATOM 936 OE2 GLU A 65 -1.405 -4.400 -4.822 1.00 0.00 O ATOM 0 H GLU A 65 -1.552 -2.538 0.516 1.00 0.00 H new ATOM 0 HA GLU A 65 0.928 -1.900 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.331 -4.251 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.336 -3.850 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.323 -2.558 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.106 -3.526 -3.276 1.00 0.00 H new ATOM 943 N THR A 66 -0.215 -0.467 -2.712 1.00 0.00 N ATOM 944 CA THR A 66 -0.825 0.580 -3.522 1.00 0.00 C ATOM 945 C THR A 66 0.013 0.875 -4.760 1.00 0.00 C ATOM 946 O THR A 66 1.217 0.619 -4.783 1.00 0.00 O ATOM 947 CB THR A 66 -1.004 1.880 -2.715 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.616 2.883 -3.534 1.00 0.00 O ATOM 949 CG2 THR A 66 0.334 2.386 -2.199 1.00 0.00 C ATOM 0 H THR A 66 0.756 -0.672 -2.949 1.00 0.00 H new ATOM 0 HA THR A 66 -1.804 0.213 -3.829 1.00 0.00 H new ATOM 0 HB THR A 66 -1.646 1.666 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.585 2.879 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.182 3.305 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.784 1.632 -1.553 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.997 2.585 -3.041 1.00 0.00 H new ATOM 957 N CYS A 67 -0.631 1.416 -5.789 1.00 0.00 N ATOM 958 CA CYS A 67 0.056 1.746 -7.033 1.00 0.00 C ATOM 959 C CYS A 67 1.116 0.701 -7.363 1.00 0.00 C ATOM 960 O CYS A 67 2.228 1.037 -7.768 1.00 0.00 O ATOM 961 CB CYS A 67 0.700 3.130 -6.932 1.00 0.00 C ATOM 962 SG CYS A 67 1.208 3.825 -8.522 1.00 0.00 S ATOM 0 H CYS A 67 -1.627 1.635 -5.786 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.681 1.754 -7.836 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -0.004 3.813 -6.457 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.571 3.067 -6.280 1.00 0.00 H new ATOM 0 HG CYS A 67 1.542 5.072 -8.364 1.00 0.00 H new ATOM 968 N ALA A 68 0.764 -0.568 -7.185 1.00 0.00 N ATOM 969 CA ALA A 68 1.685 -1.663 -7.464 1.00 0.00 C ATOM 970 C ALA A 68 2.951 -1.543 -6.623 1.00 0.00 C ATOM 971 O ALA A 68 4.058 -1.758 -7.117 1.00 0.00 O ATOM 972 CB ALA A 68 2.033 -1.695 -8.945 1.00 0.00 C ATOM 0 H ALA A 68 -0.153 -0.863 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 68 1.191 -2.598 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.721 -2.517 -9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.124 -1.837 -9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.503 -0.753 -9.229 1.00 0.00 H new ATOM 978 N ARG A 69 2.780 -1.198 -5.351 1.00 0.00 N ATOM 979 CA ARG A 69 3.910 -1.048 -4.443 1.00 0.00 C ATOM 980 C ARG A 69 3.611 -1.692 -3.092 1.00 0.00 C ATOM 981 O ARG A 69 2.451 -1.901 -2.735 1.00 0.00 O ATOM 982 CB ARG A 69 4.244 0.433 -4.251 1.00 0.00 C ATOM 983 CG ARG A 69 5.290 0.953 -5.224 1.00 0.00 C ATOM 984 CD ARG A 69 5.501 2.450 -5.067 1.00 0.00 C ATOM 985 NE ARG A 69 4.399 3.222 -5.635 1.00 0.00 N ATOM 986 CZ ARG A 69 4.425 4.541 -5.784 1.00 0.00 C ATOM 987 NH1 ARG A 69 5.492 5.233 -5.409 1.00 0.00 N ATOM 988 NH2 ARG A 69 3.382 5.172 -6.310 1.00 0.00 N ATOM 0 H ARG A 69 1.870 -1.017 -4.926 1.00 0.00 H new ATOM 0 HA ARG A 69 4.769 -1.553 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.332 1.020 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.599 0.587 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.233 0.432 -5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.979 0.733 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.606 2.692 -4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.433 2.737 -5.553 1.00 0.00 H new ATOM 0 HE ARG A 69 3.563 2.720 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.296 4.752 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.509 6.246 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.559 4.643 -6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.403 6.185 -6.424 1.00 0.00 H new ATOM 1002 N LEU A 70 4.665 -2.005 -2.346 1.00 0.00 N ATOM 1003 CA LEU A 70 4.516 -2.626 -1.034 1.00 0.00 C ATOM 1004 C LEU A 70 5.448 -1.978 -0.016 1.00 0.00 C ATOM 1005 O LEU A 70 6.668 -2.004 -0.171 1.00 0.00 O ATOM 1006 CB LEU A 70 4.803 -4.126 -1.123 1.00 0.00 C ATOM 1007 CG LEU A 70 4.050 -5.013 -0.131 1.00 0.00 C ATOM 1008 CD1 LEU A 70 2.593 -4.588 -0.033 1.00 0.00 C ATOM 1009 CD2 LEU A 70 4.154 -6.476 -0.538 1.00 0.00 C ATOM 0 H LEU A 70 5.631 -1.839 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 70 3.488 -2.478 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.566 -4.462 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.872 -4.280 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 70 4.508 -4.896 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.073 -5.231 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.538 -3.553 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.122 -4.675 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.612 -7.093 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.722 -6.609 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.202 -6.775 -0.555 1.00 0.00 H new ATOM 1021 N GLY A 71 4.864 -1.398 1.029 1.00 0.00 N ATOM 1022 CA GLY A 71 5.657 -0.754 2.059 1.00 0.00 C ATOM 1023 C GLY A 71 4.872 -0.520 3.334 1.00 0.00 C ATOM 1024 O GLY A 71 3.866 -1.186 3.583 1.00 0.00 O ATOM 0 H GLY A 71 3.856 -1.363 1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.528 -1.370 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.028 0.200 1.684 1.00 0.00 H new ATOM 1028 N LEU A 72 5.332 0.426 4.146 1.00 0.00 N ATOM 1029 CA LEU A 72 4.666 0.744 5.404 1.00 0.00 C ATOM 1030 C LEU A 72 3.846 2.024 5.277 1.00 0.00 C ATOM 1031 O LEU A 72 4.215 2.939 4.541 1.00 0.00 O ATOM 1032 CB LEU A 72 5.696 0.894 6.525 1.00 0.00 C ATOM 1033 CG LEU A 72 6.469 -0.371 6.900 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.495 -0.069 7.981 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.513 -1.463 7.359 1.00 0.00 C ATOM 0 H LEU A 72 6.163 0.986 3.956 1.00 0.00 H new ATOM 0 HA LEU A 72 3.990 -0.076 5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.413 1.661 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.184 1.260 7.415 1.00 0.00 H new ATOM 0 HG LEU A 72 6.998 -0.727 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.035 -0.981 8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.198 0.680 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.988 0.311 8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.080 -2.356 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.957 -1.117 8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.817 -1.699 6.554 1.00 0.00 H new ATOM 1047 N ILE A 73 2.733 2.082 6.002 1.00 0.00 N ATOM 1048 CA ILE A 73 1.863 3.251 5.972 1.00 0.00 C ATOM 1049 C ILE A 73 1.608 3.781 7.379 1.00 0.00 C ATOM 1050 O ILE A 73 1.273 3.035 8.299 1.00 0.00 O ATOM 1051 CB ILE A 73 0.513 2.931 5.303 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.717 2.608 3.822 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.449 4.098 5.469 1.00 0.00 C ATOM 1054 CD1 ILE A 73 1.116 1.171 3.566 1.00 0.00 C ATOM 0 H ILE A 73 2.413 1.333 6.617 1.00 0.00 H new ATOM 0 HA ILE A 73 2.377 4.013 5.386 1.00 0.00 H new ATOM 0 HB ILE A 73 0.081 2.057 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.205 2.822 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.485 3.267 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.399 3.857 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.614 4.286 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.025 4.988 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.243 1.014 2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.054 0.957 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.338 0.505 3.940 1.00 0.00 H new ATOM 1066 N PRO A 74 1.767 5.102 7.552 1.00 0.00 N ATOM 1067 CA PRO A 74 1.557 5.762 8.843 1.00 0.00 C ATOM 1068 C PRO A 74 0.087 5.788 9.248 1.00 0.00 C ATOM 1069 O PRO A 74 -0.708 6.544 8.689 1.00 0.00 O ATOM 1070 CB PRO A 74 2.069 7.184 8.602 1.00 0.00 C ATOM 1071 CG PRO A 74 1.928 7.394 7.134 1.00 0.00 C ATOM 1072 CD PRO A 74 2.165 6.052 6.499 1.00 0.00 C ATOM 0 HA PRO A 74 2.067 5.242 9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.487 7.915 9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.106 7.290 8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.936 7.773 6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.648 8.129 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.569 5.924 5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.209 5.921 6.213 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.268 4.958 10.223 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.643 4.886 10.703 1.00 0.00 C ATOM 1082 C CYS A 75 -2.149 6.264 11.115 1.00 0.00 C ATOM 1083 O CYS A 75 -3.354 6.504 11.167 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.743 3.918 11.884 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.253 4.101 12.862 1.00 0.00 S ATOM 0 H CYS A 75 0.377 4.326 10.696 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.267 4.519 9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.688 2.896 11.508 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.881 4.065 12.535 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.899 5.159 12.469 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.218 7.166 11.410 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.569 8.521 11.820 1.00 0.00 C ATOM 1093 C ASN A 76 -2.109 9.324 10.641 1.00 0.00 C ATOM 1094 O ASN A 76 -2.962 10.195 10.808 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.351 9.227 12.418 1.00 0.00 C ATOM 1096 CG ASN A 76 -0.180 8.934 13.896 1.00 0.00 C ATOM 1097 OD1 ASN A 76 -0.871 9.508 14.738 1.00 0.00 O ATOM 1098 ND2 ASN A 76 0.746 8.038 14.218 1.00 0.00 N ATOM 0 H ASN A 76 -0.215 6.983 11.373 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.350 8.454 12.578 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.546 8.915 11.883 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.451 10.303 12.273 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.908 7.801 15.197 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.295 7.587 13.486 1.00 0.00 H new ATOM 1105 N MET A 77 -1.607 9.023 9.448 1.00 0.00 N ATOM 1106 CA MET A 77 -2.040 9.716 8.240 1.00 0.00 C ATOM 1107 C MET A 77 -3.309 9.085 7.677 1.00 0.00 C ATOM 1108 O MET A 77 -4.382 9.688 7.712 1.00 0.00 O ATOM 1109 CB MET A 77 -0.932 9.688 7.185 1.00 0.00 C ATOM 1110 CG MET A 77 0.421 10.136 7.713 1.00 0.00 C ATOM 1111 SD MET A 77 0.557 11.930 7.840 1.00 0.00 S ATOM 1112 CE MET A 77 1.126 12.344 6.193 1.00 0.00 C ATOM 0 H MET A 77 -0.900 8.304 9.292 1.00 0.00 H new ATOM 0 HA MET A 77 -2.256 10.752 8.503 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.842 8.676 6.791 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.218 10.330 6.352 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.589 9.692 8.694 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.206 9.762 7.055 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.258 13.423 6.114 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.077 11.847 6.001 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.390 12.014 5.460 1.00 0.00 H new ATOM 1122 N VAL A 78 -3.180 7.867 7.159 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.318 7.155 6.589 1.00 0.00 C ATOM 1124 C VAL A 78 -5.457 7.043 7.596 1.00 0.00 C ATOM 1125 O VAL A 78 -5.296 7.378 8.770 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.918 5.742 6.124 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -3.172 5.806 4.800 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.078 5.049 7.186 1.00 0.00 C ATOM 0 H VAL A 78 -2.300 7.353 7.122 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.654 7.732 5.728 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.826 5.158 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.898 4.798 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.812 6.259 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.270 6.407 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.805 4.052 6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.174 5.629 7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.652 4.968 8.109 1.00 0.00 H new ATOM 1138 N SER A 79 -6.608 6.571 7.129 1.00 0.00 N ATOM 1139 CA SER A 79 -7.776 6.418 7.988 1.00 0.00 C ATOM 1140 C SER A 79 -8.636 5.243 7.532 1.00 0.00 C ATOM 1141 O SER A 79 -8.765 4.982 6.337 1.00 0.00 O ATOM 1142 CB SER A 79 -8.607 7.703 7.989 1.00 0.00 C ATOM 1143 OG SER A 79 -9.610 7.662 8.989 1.00 0.00 O ATOM 0 H SER A 79 -6.757 6.288 6.160 1.00 0.00 H new ATOM 0 HA SER A 79 -7.427 6.219 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.956 8.561 8.158 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.069 7.841 7.012 1.00 0.00 H new ATOM 0 HG SER A 79 -10.125 8.495 8.970 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.223 4.539 8.495 1.00 0.00 N ATOM 1150 CA GLU A 80 -10.070 3.391 8.192 1.00 0.00 C ATOM 1151 C GLU A 80 -11.388 3.837 7.567 1.00 0.00 C ATOM 1152 O GLU A 80 -12.126 4.632 8.150 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.343 2.582 9.462 1.00 0.00 C ATOM 1154 CG GLU A 80 -11.175 1.333 9.221 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.928 0.886 10.459 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -12.798 1.646 10.932 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -11.646 -0.226 10.954 1.00 0.00 O ATOM 0 H GLU A 80 -9.128 4.743 9.490 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.543 2.762 7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.392 2.294 9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.857 3.217 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.886 1.524 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.524 0.526 8.885 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.676 3.321 6.377 1.00 0.00 N ATOM 1165 CA ILE A 81 -12.905 3.666 5.673 1.00 0.00 C ATOM 1166 C ILE A 81 -14.091 2.878 6.219 1.00 0.00 C ATOM 1167 O ILE A 81 -13.991 1.676 6.463 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.780 3.401 4.161 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.412 3.859 3.652 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -13.896 4.108 3.405 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.189 3.580 2.182 1.00 0.00 C ATOM 0 H ILE A 81 -11.075 2.663 5.880 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.074 4.731 5.835 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.872 2.329 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.307 4.929 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.633 3.362 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.794 3.911 2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.861 3.738 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.833 5.181 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.199 3.931 1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.262 2.508 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.946 4.100 1.594 1.00 0.00 H new ATOM 1183 N GLN A 82 -15.214 3.564 6.406 1.00 0.00 N ATOM 1184 CA GLN A 82 -16.420 2.928 6.922 1.00 0.00 C ATOM 1185 C GLN A 82 -16.735 1.651 6.150 1.00 0.00 C ATOM 1186 O GLN A 82 -16.106 1.358 5.134 1.00 0.00 O ATOM 1187 CB GLN A 82 -17.605 3.892 6.842 1.00 0.00 C ATOM 1188 CG GLN A 82 -17.945 4.322 5.424 1.00 0.00 C ATOM 1189 CD GLN A 82 -19.267 5.058 5.339 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -19.339 6.261 5.594 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -20.324 4.339 4.978 1.00 0.00 N ATOM 0 H GLN A 82 -15.314 4.560 6.208 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.244 2.666 7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -18.479 3.418 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -17.383 4.777 7.438 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.151 4.964 5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.981 3.443 4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -20.220 3.345 4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -21.240 4.781 4.903 1.00 0.00 H new ATOM 1200 N ALA A 83 -17.713 0.896 6.639 1.00 0.00 N ATOM 1201 CA ALA A 83 -18.113 -0.348 5.994 1.00 0.00 C ATOM 1202 C ALA A 83 -18.248 -0.166 4.486 1.00 0.00 C ATOM 1203 O ALA A 83 -18.579 0.920 4.009 1.00 0.00 O ATOM 1204 CB ALA A 83 -19.421 -0.853 6.585 1.00 0.00 C ATOM 0 H ALA A 83 -18.243 1.124 7.480 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.335 -1.089 6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.707 -1.783 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -19.293 -1.031 7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -20.201 -0.107 6.433 1.00 0.00 H new ATOM 1210 N ASP A 84 -17.989 -1.234 3.740 1.00 0.00 N ATOM 1211 CA ASP A 84 -18.082 -1.192 2.285 1.00 0.00 C ATOM 1212 C ASP A 84 -19.525 -1.381 1.827 1.00 0.00 C ATOM 1213 O ASP A 84 -19.795 -1.516 0.634 1.00 0.00 O ATOM 1214 CB ASP A 84 -17.192 -2.270 1.664 1.00 0.00 C ATOM 1215 CG ASP A 84 -17.797 -3.656 1.777 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -18.674 -3.989 0.953 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -17.392 -4.407 2.688 1.00 0.00 O ATOM 0 H ASP A 84 -17.713 -2.140 4.119 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.739 -0.212 1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.022 -2.036 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -16.219 -2.260 2.154 1.00 0.00 H new ATOM 1222 N ASP A 85 -20.447 -1.389 2.783 1.00 0.00 N ATOM 1223 CA ASP A 85 -21.863 -1.561 2.478 1.00 0.00 C ATOM 1224 C ASP A 85 -22.240 -0.811 1.205 1.00 0.00 C ATOM 1225 O ASP A 85 -21.556 0.131 0.803 1.00 0.00 O ATOM 1226 CB ASP A 85 -22.721 -1.072 3.646 1.00 0.00 C ATOM 1227 CG ASP A 85 -22.750 -2.059 4.796 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -21.700 -2.676 5.076 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -23.822 -2.214 5.418 1.00 0.00 O ATOM 0 H ASP A 85 -20.240 -1.278 3.776 1.00 0.00 H new ATOM 0 HA ASP A 85 -22.049 -2.623 2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.336 -0.116 4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -23.738 -0.895 3.297 1.00 0.00 H new ATOM 1234 N GLU A 86 -23.330 -1.235 0.574 1.00 0.00 N ATOM 1235 CA GLU A 86 -23.795 -0.604 -0.655 1.00 0.00 C ATOM 1236 C GLU A 86 -24.881 0.427 -0.360 1.00 0.00 C ATOM 1237 O GLU A 86 -26.071 0.115 -0.391 1.00 0.00 O ATOM 1238 CB GLU A 86 -24.329 -1.659 -1.627 1.00 0.00 C ATOM 1239 CG GLU A 86 -25.035 -2.816 -0.941 1.00 0.00 C ATOM 1240 CD GLU A 86 -24.069 -3.869 -0.432 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -23.422 -4.534 -1.268 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -23.962 -4.028 0.802 1.00 0.00 O ATOM 0 H GLU A 86 -23.907 -2.013 0.894 1.00 0.00 H new ATOM 0 HA GLU A 86 -22.948 -0.094 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -25.020 -1.183 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -23.500 -2.049 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -25.624 -2.434 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -25.734 -3.276 -1.640 1.00 0.00 H new ATOM 1249 N GLU A 87 -24.461 1.655 -0.074 1.00 0.00 N ATOM 1250 CA GLU A 87 -25.397 2.731 0.229 1.00 0.00 C ATOM 1251 C GLU A 87 -26.346 2.972 -0.942 1.00 0.00 C ATOM 1252 O GLU A 87 -26.043 2.622 -2.082 1.00 0.00 O ATOM 1253 CB GLU A 87 -24.640 4.019 0.558 1.00 0.00 C ATOM 1254 CG GLU A 87 -23.913 3.973 1.892 1.00 0.00 C ATOM 1255 CD GLU A 87 -22.738 3.014 1.883 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -22.947 1.816 2.166 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -21.609 3.463 1.592 1.00 0.00 O ATOM 0 H GLU A 87 -23.479 1.929 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 87 -25.985 2.432 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -23.918 4.218 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -25.343 4.852 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -23.559 4.973 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -24.613 3.677 2.673 1.00 0.00 H new ATOM 1264 N MET A 88 -27.496 3.572 -0.651 1.00 0.00 N ATOM 1265 CA MET A 88 -28.489 3.860 -1.680 1.00 0.00 C ATOM 1266 C MET A 88 -27.887 4.712 -2.792 1.00 0.00 C ATOM 1267 O MET A 88 -26.886 5.399 -2.589 1.00 0.00 O ATOM 1268 CB MET A 88 -29.695 4.576 -1.068 1.00 0.00 C ATOM 1269 CG MET A 88 -29.318 5.751 -0.180 1.00 0.00 C ATOM 1270 SD MET A 88 -30.625 6.988 -0.074 1.00 0.00 S ATOM 1271 CE MET A 88 -30.494 7.758 -1.686 1.00 0.00 C ATOM 0 H MET A 88 -27.763 3.868 0.288 1.00 0.00 H new ATOM 0 HA MET A 88 -28.817 2.913 -2.109 1.00 0.00 H new ATOM 0 HB2 MET A 88 -30.342 4.930 -1.870 1.00 0.00 H new ATOM 0 HB3 MET A 88 -30.274 3.861 -0.484 1.00 0.00 H new ATOM 0 HG2 MET A 88 -29.087 5.386 0.821 1.00 0.00 H new ATOM 0 HG3 MET A 88 -28.412 6.218 -0.566 1.00 0.00 H new ATOM 0 HE1 MET A 88 -30.995 8.726 -1.669 1.00 0.00 H new ATOM 0 HE2 MET A 88 -29.443 7.898 -1.938 1.00 0.00 H new ATOM 0 HE3 MET A 88 -30.965 7.119 -2.434 1.00 0.00 H new ATOM 1281 N MET A 89 -28.504 4.663 -3.969 1.00 0.00 N ATOM 1282 CA MET A 89 -28.029 5.432 -5.113 1.00 0.00 C ATOM 1283 C MET A 89 -29.050 5.408 -6.246 1.00 0.00 C ATOM 1284 O MET A 89 -29.801 4.444 -6.397 1.00 0.00 O ATOM 1285 CB MET A 89 -26.690 4.879 -5.606 1.00 0.00 C ATOM 1286 CG MET A 89 -25.849 5.901 -6.353 1.00 0.00 C ATOM 1287 SD MET A 89 -24.522 5.142 -7.310 1.00 0.00 S ATOM 1288 CE MET A 89 -23.317 4.823 -6.023 1.00 0.00 C ATOM 0 H MET A 89 -29.333 4.099 -4.155 1.00 0.00 H new ATOM 0 HA MET A 89 -27.892 6.465 -4.793 1.00 0.00 H new ATOM 0 HB2 MET A 89 -26.123 4.508 -4.752 1.00 0.00 H new ATOM 0 HB3 MET A 89 -26.877 4.027 -6.259 1.00 0.00 H new ATOM 0 HG2 MET A 89 -26.491 6.475 -7.021 1.00 0.00 H new ATOM 0 HG3 MET A 89 -25.420 6.605 -5.639 1.00 0.00 H new ATOM 0 HE1 MET A 89 -22.435 4.353 -6.459 1.00 0.00 H new ATOM 0 HE2 MET A 89 -23.031 5.763 -5.551 1.00 0.00 H new ATOM 0 HE3 MET A 89 -23.750 4.159 -5.275 1.00 0.00 H new ATOM 1298 N ASP A 90 -29.072 6.473 -7.039 1.00 0.00 N ATOM 1299 CA ASP A 90 -30.001 6.573 -8.159 1.00 0.00 C ATOM 1300 C ASP A 90 -29.481 5.800 -9.367 1.00 0.00 C ATOM 1301 O ASP A 90 -28.283 5.541 -9.481 1.00 0.00 O ATOM 1302 CB ASP A 90 -30.224 8.039 -8.534 1.00 0.00 C ATOM 1303 CG ASP A 90 -31.121 8.759 -7.547 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -31.173 8.335 -6.374 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -31.773 9.747 -7.948 1.00 0.00 O ATOM 0 H ASP A 90 -28.457 7.279 -6.927 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.951 6.136 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -29.262 8.548 -8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -30.666 8.093 -9.529 1.00 0.00 H new ATOM 1310 N GLN A 91 -30.390 5.433 -10.264 1.00 0.00 N ATOM 1311 CA GLN A 91 -30.023 4.687 -11.462 1.00 0.00 C ATOM 1312 C GLN A 91 -29.109 5.515 -12.360 1.00 0.00 C ATOM 1313 O GLN A 91 -29.240 6.736 -12.438 1.00 0.00 O ATOM 1314 CB GLN A 91 -31.276 4.273 -12.235 1.00 0.00 C ATOM 1315 CG GLN A 91 -30.977 3.561 -13.544 1.00 0.00 C ATOM 1316 CD GLN A 91 -32.122 3.653 -14.534 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -33.011 4.493 -14.396 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -32.106 2.786 -15.540 1.00 0.00 N ATOM 0 H GLN A 91 -31.386 5.640 -10.184 1.00 0.00 H new ATOM 0 HA GLN A 91 -29.484 3.792 -11.151 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -31.881 3.620 -11.606 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -31.874 5.160 -12.442 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -30.080 3.991 -13.990 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -30.760 2.512 -13.341 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -31.349 2.106 -15.616 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -32.851 2.800 -16.237 1.00 0.00 H new ATOM 1327 N SER A 92 -28.183 4.842 -13.035 1.00 0.00 N ATOM 1328 CA SER A 92 -27.244 5.515 -13.924 1.00 0.00 C ATOM 1329 C SER A 92 -27.715 5.435 -15.373 1.00 0.00 C ATOM 1330 O SER A 92 -28.678 4.737 -15.687 1.00 0.00 O ATOM 1331 CB SER A 92 -25.851 4.896 -13.794 1.00 0.00 C ATOM 1332 OG SER A 92 -25.802 3.617 -14.402 1.00 0.00 O ATOM 0 H SER A 92 -28.063 3.830 -12.983 1.00 0.00 H new ATOM 0 HA SER A 92 -27.196 6.564 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 92 -25.114 5.551 -14.258 1.00 0.00 H new ATOM 0 HB3 SER A 92 -25.584 4.812 -12.741 1.00 0.00 H new ATOM 0 HG SER A 92 -24.901 3.244 -14.307 1.00 0.00 H new ATOM 1338 N GLY A 93 -27.027 6.156 -16.253 1.00 0.00 N ATOM 1339 CA GLY A 93 -27.388 6.154 -17.659 1.00 0.00 C ATOM 1340 C GLY A 93 -26.551 5.186 -18.471 1.00 0.00 C ATOM 1341 O GLY A 93 -25.723 4.448 -17.937 1.00 0.00 O ATOM 0 H GLY A 93 -26.226 6.742 -16.017 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -28.441 5.892 -17.760 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -27.269 7.159 -18.063 1.00 0.00 H new ATOM 1345 N PRO A 94 -26.764 5.180 -19.796 1.00 0.00 N ATOM 1346 CA PRO A 94 -26.033 4.300 -20.711 1.00 0.00 C ATOM 1347 C PRO A 94 -24.567 4.697 -20.850 1.00 0.00 C ATOM 1348 O PRO A 94 -24.113 5.657 -20.229 1.00 0.00 O ATOM 1349 CB PRO A 94 -26.765 4.485 -22.042 1.00 0.00 C ATOM 1350 CG PRO A 94 -27.384 5.837 -21.950 1.00 0.00 C ATOM 1351 CD PRO A 94 -27.735 6.033 -20.501 1.00 0.00 C ATOM 0 HA PRO A 94 -26.016 3.269 -20.358 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -26.076 4.422 -22.885 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -27.520 3.713 -22.189 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -26.692 6.607 -22.292 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -28.272 5.904 -22.579 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -27.643 7.077 -20.203 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -28.761 5.731 -20.292 1.00 0.00 H new ATOM 1359 N SER A 95 -23.832 3.952 -21.670 1.00 0.00 N ATOM 1360 CA SER A 95 -22.416 4.225 -21.888 1.00 0.00 C ATOM 1361 C SER A 95 -22.165 4.680 -23.322 1.00 0.00 C ATOM 1362 O SER A 95 -23.067 4.655 -24.160 1.00 0.00 O ATOM 1363 CB SER A 95 -21.582 2.979 -21.583 1.00 0.00 C ATOM 1364 OG SER A 95 -21.570 2.090 -22.686 1.00 0.00 O ATOM 0 H SER A 95 -24.194 3.155 -22.194 1.00 0.00 H new ATOM 0 HA SER A 95 -22.118 5.027 -21.213 1.00 0.00 H new ATOM 0 HB2 SER A 95 -20.561 3.272 -21.337 1.00 0.00 H new ATOM 0 HB3 SER A 95 -21.987 2.472 -20.708 1.00 0.00 H new ATOM 0 HG SER A 95 -21.029 1.303 -22.466 1.00 0.00 H new ATOM 1370 N SER A 96 -20.933 5.096 -23.597 1.00 0.00 N ATOM 1371 CA SER A 96 -20.563 5.560 -24.929 1.00 0.00 C ATOM 1372 C SER A 96 -21.090 4.612 -26.001 1.00 0.00 C ATOM 1373 O SER A 96 -21.538 3.506 -25.702 1.00 0.00 O ATOM 1374 CB SER A 96 -19.042 5.684 -25.044 1.00 0.00 C ATOM 1375 OG SER A 96 -18.522 6.535 -24.038 1.00 0.00 O ATOM 0 H SER A 96 -20.174 5.121 -22.916 1.00 0.00 H new ATOM 0 HA SER A 96 -21.013 6.540 -25.084 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.586 4.697 -24.961 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.779 6.075 -26.027 1.00 0.00 H new ATOM 0 HG SER A 96 -17.548 6.596 -24.132 1.00 0.00 H new ATOM 1381 N GLY A 97 -21.032 5.054 -27.254 1.00 0.00 N ATOM 1382 CA GLY A 97 -21.507 4.234 -28.353 1.00 0.00 C ATOM 1383 C GLY A 97 -20.837 2.875 -28.394 1.00 0.00 C ATOM 1384 O GLY A 97 -19.717 2.713 -27.909 1.00 0.00 O ATOM 0 H GLY A 97 -20.664 5.965 -27.527 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -22.585 4.102 -28.264 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -21.326 4.753 -29.294 1.00 0.00 H new TER 1388 GLY A 97