USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 44 THR OG1 : rot -178:sc= -0.0398 USER MOD Set 1.2: A 46 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.72) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -144:sc= -0.0834 (180deg=-1.11) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 16 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.291 USER MOD Single : A 19 CYS SG : rot 180:sc= 0.0351 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 19:sc= 0.117 USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -0.0902 (180deg=-0.58) USER MOD Single : A 26 SER OG : rot 180:sc= 0.00295 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 170:sc= 0.55 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.47!) USER MOD Single : A 59 HIS : no HD1:sc= -0.669 K(o=-0.67,f=-0.016) USER MOD Single : A 60 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.46) USER MOD Single : A 61 HIS : no HE2:sc= -0.664! C(o=-0.66!,f=-6.5!) USER MOD Single : A 62 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.67) USER MOD Single : A 63 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.028 -48.873 -5.236 1.00 1.00 N ATOM 2 CA MET A 1 25.472 -47.990 -6.299 1.00 1.00 C ATOM 3 C MET A 1 26.473 -46.883 -6.614 1.00 1.00 C ATOM 4 O MET A 1 27.667 -47.019 -6.346 1.00 1.00 O ATOM 5 CB MET A 1 24.154 -47.380 -5.815 1.00 1.00 C ATOM 6 CG MET A 1 23.219 -48.494 -5.341 1.00 1.00 C ATOM 7 SD MET A 1 22.896 -48.298 -3.571 1.00 1.00 S ATOM 8 CE MET A 1 21.724 -49.667 -3.402 1.00 1.00 C ATOM 0 H1 MET A 1 25.743 -49.857 -5.417 1.00 1.00 H new ATOM 0 H2 MET A 1 27.066 -48.807 -5.238 1.00 1.00 H new ATOM 0 H3 MET A 1 25.664 -48.572 -4.309 1.00 1.00 H new ATOM 0 HA MET A 1 25.287 -48.573 -7.202 1.00 1.00 H new ATOM 0 HB2 MET A 1 24.343 -46.679 -5.002 1.00 1.00 H new ATOM 0 HB3 MET A 1 23.685 -46.815 -6.621 1.00 1.00 H new ATOM 0 HG2 MET A 1 22.283 -48.459 -5.898 1.00 1.00 H new ATOM 0 HG3 MET A 1 23.669 -49.468 -5.534 1.00 1.00 H new ATOM 0 HE1 MET A 1 21.387 -49.732 -2.367 1.00 1.00 H new ATOM 0 HE2 MET A 1 20.867 -49.494 -4.052 1.00 1.00 H new ATOM 0 HE3 MET A 1 22.211 -50.600 -3.684 1.00 1.00 H new ATOM 20 N GLU A 2 25.978 -45.789 -7.182 1.00 1.00 N ATOM 21 CA GLU A 2 26.840 -44.665 -7.529 1.00 1.00 C ATOM 22 C GLU A 2 26.023 -43.382 -7.651 1.00 1.00 C ATOM 23 O GLU A 2 25.482 -43.078 -8.714 1.00 1.00 O ATOM 24 CB GLU A 2 27.556 -44.943 -8.852 1.00 1.00 C ATOM 25 CG GLU A 2 26.607 -45.677 -9.802 1.00 1.00 C ATOM 26 CD GLU A 2 26.658 -47.177 -9.534 1.00 1.00 C ATOM 27 OE1 GLU A 2 27.753 -47.700 -9.408 1.00 1.00 O ATOM 28 OE2 GLU A 2 25.600 -47.781 -9.459 1.00 1.00 O ATOM 0 H GLU A 2 24.993 -45.657 -7.410 1.00 1.00 H new ATOM 0 HA GLU A 2 27.578 -44.540 -6.737 1.00 1.00 H new ATOM 0 HB2 GLU A 2 27.886 -44.007 -9.302 1.00 1.00 H new ATOM 0 HB3 GLU A 2 28.448 -45.544 -8.676 1.00 1.00 H new ATOM 0 HG2 GLU A 2 25.589 -45.310 -9.668 1.00 1.00 H new ATOM 0 HG3 GLU A 2 26.886 -45.474 -10.836 1.00 1.00 H new ATOM 35 N GLU A 3 25.939 -42.633 -6.556 1.00 1.00 N ATOM 36 CA GLU A 3 25.185 -41.385 -6.553 1.00 1.00 C ATOM 37 C GLU A 3 26.099 -40.206 -6.872 1.00 1.00 C ATOM 38 O GLU A 3 26.004 -39.148 -6.250 1.00 1.00 O ATOM 39 CB GLU A 3 24.535 -41.172 -5.185 1.00 1.00 C ATOM 40 CG GLU A 3 23.353 -42.131 -5.026 1.00 1.00 C ATOM 41 CD GLU A 3 23.831 -43.573 -5.162 1.00 1.00 C ATOM 42 OE1 GLU A 3 24.625 -43.993 -4.337 1.00 1.00 O ATOM 43 OE2 GLU A 3 23.396 -44.235 -6.090 1.00 1.00 O ATOM 0 H GLU A 3 26.380 -42.866 -5.666 1.00 1.00 H new ATOM 0 HA GLU A 3 24.411 -41.448 -7.318 1.00 1.00 H new ATOM 0 HB2 GLU A 3 25.265 -41.343 -4.393 1.00 1.00 H new ATOM 0 HB3 GLU A 3 24.196 -40.141 -5.088 1.00 1.00 H new ATOM 0 HG2 GLU A 3 22.883 -41.985 -4.053 1.00 1.00 H new ATOM 0 HG3 GLU A 3 22.596 -41.917 -5.781 1.00 1.00 H new ATOM 50 N GLY A 4 26.984 -40.396 -7.846 1.00 1.00 N ATOM 51 CA GLY A 4 27.912 -39.342 -8.239 1.00 1.00 C ATOM 52 C GLY A 4 29.235 -39.930 -8.715 1.00 1.00 C ATOM 53 O GLY A 4 29.636 -39.731 -9.862 1.00 1.00 O ATOM 0 H GLY A 4 27.078 -41.264 -8.374 1.00 1.00 H new ATOM 0 HA2 GLY A 4 27.470 -38.741 -9.034 1.00 1.00 H new ATOM 0 HA3 GLY A 4 28.089 -38.675 -7.395 1.00 1.00 H new ATOM 57 N GLY A 5 29.908 -40.654 -7.828 1.00 1.00 N ATOM 58 CA GLY A 5 31.187 -41.266 -8.169 1.00 1.00 C ATOM 59 C GLY A 5 32.144 -40.237 -8.759 1.00 1.00 C ATOM 60 O GLY A 5 31.995 -39.035 -8.535 1.00 1.00 O ATOM 0 H GLY A 5 29.593 -40.831 -6.874 1.00 1.00 H new ATOM 0 HA2 GLY A 5 31.630 -41.712 -7.278 1.00 1.00 H new ATOM 0 HA3 GLY A 5 31.029 -42.073 -8.884 1.00 1.00 H new ATOM 64 N ASP A 6 33.126 -40.715 -9.516 1.00 1.00 N ATOM 65 CA ASP A 6 34.102 -39.825 -10.136 1.00 1.00 C ATOM 66 C ASP A 6 34.581 -38.777 -9.137 1.00 1.00 C ATOM 67 O ASP A 6 34.285 -38.860 -7.945 1.00 1.00 O ATOM 68 CB ASP A 6 33.481 -39.131 -11.349 1.00 1.00 C ATOM 69 CG ASP A 6 32.998 -37.738 -10.961 1.00 1.00 C ATOM 70 OD1 ASP A 6 31.896 -37.635 -10.449 1.00 1.00 O ATOM 71 OD2 ASP A 6 33.738 -36.794 -11.182 1.00 1.00 O ATOM 0 H ASP A 6 33.267 -41.706 -9.714 1.00 1.00 H new ATOM 0 HA ASP A 6 34.956 -40.421 -10.458 1.00 1.00 H new ATOM 0 HB2 ASP A 6 34.214 -39.060 -12.153 1.00 1.00 H new ATOM 0 HB3 ASP A 6 32.647 -39.721 -11.729 1.00 1.00 H new ATOM 76 N PHE A 7 35.324 -37.792 -9.631 1.00 1.00 N ATOM 77 CA PHE A 7 35.838 -36.731 -8.772 1.00 1.00 C ATOM 78 C PHE A 7 34.700 -36.058 -8.012 1.00 1.00 C ATOM 79 O PHE A 7 33.533 -36.406 -8.186 1.00 1.00 O ATOM 80 CB PHE A 7 36.580 -35.691 -9.613 1.00 1.00 C ATOM 81 CG PHE A 7 37.200 -36.363 -10.815 1.00 1.00 C ATOM 82 CD1 PHE A 7 37.908 -37.561 -10.658 1.00 1.00 C ATOM 83 CD2 PHE A 7 37.068 -35.790 -12.084 1.00 1.00 C ATOM 84 CE1 PHE A 7 38.483 -38.185 -11.771 1.00 1.00 C ATOM 85 CE2 PHE A 7 37.643 -36.413 -13.198 1.00 1.00 C ATOM 86 CZ PHE A 7 38.351 -37.611 -13.042 1.00 1.00 C ATOM 0 H PHE A 7 35.582 -37.706 -10.614 1.00 1.00 H new ATOM 0 HA PHE A 7 36.527 -37.173 -8.053 1.00 1.00 H new ATOM 0 HB2 PHE A 7 35.891 -34.910 -9.935 1.00 1.00 H new ATOM 0 HB3 PHE A 7 37.352 -35.208 -9.015 1.00 1.00 H new ATOM 0 HD1 PHE A 7 38.010 -38.003 -9.678 1.00 1.00 H new ATOM 0 HD2 PHE A 7 36.522 -34.866 -12.205 1.00 1.00 H new ATOM 0 HE1 PHE A 7 39.029 -39.109 -11.650 1.00 1.00 H new ATOM 0 HE2 PHE A 7 37.541 -35.970 -14.178 1.00 1.00 H new ATOM 0 HZ PHE A 7 38.795 -38.092 -13.901 1.00 1.00 H new ATOM 96 N ASP A 8 35.050 -35.092 -7.167 1.00 1.00 N ATOM 97 CA ASP A 8 34.049 -34.376 -6.386 1.00 1.00 C ATOM 98 C ASP A 8 34.372 -32.886 -6.337 1.00 1.00 C ATOM 99 O ASP A 8 34.407 -32.284 -5.263 1.00 1.00 O ATOM 100 CB ASP A 8 33.998 -34.936 -4.963 1.00 1.00 C ATOM 101 CG ASP A 8 32.623 -34.688 -4.353 1.00 1.00 C ATOM 102 OD1 ASP A 8 31.689 -35.365 -4.752 1.00 1.00 O ATOM 103 OD2 ASP A 8 32.525 -33.826 -3.496 1.00 1.00 O ATOM 0 H ASP A 8 36.011 -34.790 -7.007 1.00 1.00 H new ATOM 0 HA ASP A 8 33.079 -34.510 -6.864 1.00 1.00 H new ATOM 0 HB2 ASP A 8 34.211 -36.005 -4.976 1.00 1.00 H new ATOM 0 HB3 ASP A 8 34.767 -34.465 -4.350 1.00 1.00 H new ATOM 108 N ASN A 9 34.608 -32.298 -7.505 1.00 1.00 N ATOM 109 CA ASN A 9 34.928 -30.878 -7.583 1.00 1.00 C ATOM 110 C ASN A 9 36.024 -30.522 -6.586 1.00 1.00 C ATOM 111 O ASN A 9 35.980 -29.471 -5.947 1.00 1.00 O ATOM 112 CB ASN A 9 33.678 -30.047 -7.294 1.00 1.00 C ATOM 113 CG ASN A 9 33.782 -28.691 -7.983 1.00 1.00 C ATOM 114 OD1 ASN A 9 33.840 -28.622 -9.211 1.00 1.00 O ATOM 115 ND2 ASN A 9 33.808 -27.603 -7.264 1.00 1.00 N ATOM 0 H ASN A 9 34.584 -32.779 -8.404 1.00 1.00 H new ATOM 0 HA ASN A 9 35.285 -30.657 -8.589 1.00 1.00 H new ATOM 0 HB2 ASN A 9 32.791 -30.575 -7.645 1.00 1.00 H new ATOM 0 HB3 ASN A 9 33.563 -29.910 -6.219 1.00 1.00 H new ATOM 0 HD21 ASN A 9 33.876 -26.693 -7.719 1.00 1.00 H new ATOM 0 HD22 ASN A 9 33.760 -27.663 -6.247 1.00 1.00 H new ATOM 122 N TYR A 10 37.007 -31.407 -6.461 1.00 1.00 N ATOM 123 CA TYR A 10 38.114 -31.179 -5.539 1.00 1.00 C ATOM 124 C TYR A 10 38.635 -29.752 -5.669 1.00 1.00 C ATOM 125 O TYR A 10 38.197 -28.853 -4.951 1.00 1.00 O ATOM 126 CB TYR A 10 39.245 -32.166 -5.827 1.00 1.00 C ATOM 127 CG TYR A 10 39.111 -33.367 -4.922 1.00 1.00 C ATOM 128 CD1 TYR A 10 38.170 -34.362 -5.214 1.00 1.00 C ATOM 129 CD2 TYR A 10 39.925 -33.486 -3.790 1.00 1.00 C ATOM 130 CE1 TYR A 10 38.045 -35.476 -4.374 1.00 1.00 C ATOM 131 CE2 TYR A 10 39.801 -34.599 -2.951 1.00 1.00 C ATOM 132 CZ TYR A 10 38.861 -35.594 -3.243 1.00 1.00 C ATOM 133 OH TYR A 10 38.737 -36.691 -2.415 1.00 1.00 O ATOM 0 H TYR A 10 37.060 -32.282 -6.982 1.00 1.00 H new ATOM 0 HA TYR A 10 37.752 -31.329 -4.522 1.00 1.00 H new ATOM 0 HB2 TYR A 10 39.211 -32.479 -6.871 1.00 1.00 H new ATOM 0 HB3 TYR A 10 40.210 -31.685 -5.669 1.00 1.00 H new ATOM 0 HD1 TYR A 10 37.541 -34.271 -6.087 1.00 1.00 H new ATOM 0 HD2 TYR A 10 40.650 -32.718 -3.564 1.00 1.00 H new ATOM 0 HE1 TYR A 10 37.319 -36.244 -4.599 1.00 1.00 H new ATOM 0 HE2 TYR A 10 40.431 -34.690 -2.078 1.00 1.00 H new ATOM 0 HH TYR A 10 39.378 -36.618 -1.677 1.00 1.00 H new ATOM 143 N TYR A 11 39.572 -29.551 -6.589 1.00 1.00 N ATOM 144 CA TYR A 11 40.146 -28.228 -6.806 1.00 1.00 C ATOM 145 C TYR A 11 39.047 -27.203 -7.063 1.00 1.00 C ATOM 146 O TYR A 11 37.862 -27.496 -6.906 1.00 1.00 O ATOM 147 CB TYR A 11 41.103 -28.263 -7.999 1.00 1.00 C ATOM 148 CG TYR A 11 41.935 -29.522 -7.941 1.00 1.00 C ATOM 149 CD1 TYR A 11 42.987 -29.625 -7.021 1.00 1.00 C ATOM 150 CD2 TYR A 11 41.656 -30.586 -8.805 1.00 1.00 C ATOM 151 CE1 TYR A 11 43.758 -30.792 -6.967 1.00 1.00 C ATOM 152 CE2 TYR A 11 42.427 -31.754 -8.752 1.00 1.00 C ATOM 153 CZ TYR A 11 43.477 -31.856 -7.833 1.00 1.00 C ATOM 154 OH TYR A 11 44.238 -33.007 -7.780 1.00 1.00 O ATOM 0 H TYR A 11 39.948 -30.282 -7.193 1.00 1.00 H new ATOM 0 HA TYR A 11 40.694 -27.939 -5.909 1.00 1.00 H new ATOM 0 HB2 TYR A 11 40.540 -28.229 -8.932 1.00 1.00 H new ATOM 0 HB3 TYR A 11 41.750 -27.386 -7.986 1.00 1.00 H new ATOM 0 HD1 TYR A 11 43.203 -28.804 -6.354 1.00 1.00 H new ATOM 0 HD2 TYR A 11 40.845 -30.507 -9.514 1.00 1.00 H new ATOM 0 HE1 TYR A 11 44.569 -30.872 -6.258 1.00 1.00 H new ATOM 0 HE2 TYR A 11 42.211 -32.575 -9.420 1.00 1.00 H new ATOM 0 HH TYR A 11 43.911 -33.647 -8.446 1.00 1.00 H new ATOM 164 N GLY A 12 39.448 -25.999 -7.458 1.00 1.00 N ATOM 165 CA GLY A 12 38.488 -24.937 -7.733 1.00 1.00 C ATOM 166 C GLY A 12 38.115 -24.194 -6.455 1.00 1.00 C ATOM 167 O GLY A 12 37.309 -24.673 -5.660 1.00 1.00 O ATOM 0 H GLY A 12 40.424 -25.736 -7.594 1.00 1.00 H new ATOM 0 HA2 GLY A 12 38.911 -24.238 -8.454 1.00 1.00 H new ATOM 0 HA3 GLY A 12 37.592 -25.360 -8.187 1.00 1.00 H new ATOM 171 N ALA A 13 38.709 -23.019 -6.265 1.00 1.00 N ATOM 172 CA ALA A 13 38.432 -22.218 -5.079 1.00 1.00 C ATOM 173 C ALA A 13 38.530 -20.731 -5.403 1.00 1.00 C ATOM 174 O ALA A 13 39.236 -19.984 -4.726 1.00 1.00 O ATOM 175 CB ALA A 13 39.425 -22.567 -3.969 1.00 1.00 C ATOM 0 H ALA A 13 39.380 -22.604 -6.912 1.00 1.00 H new ATOM 0 HA ALA A 13 37.419 -22.439 -4.742 1.00 1.00 H new ATOM 0 HB1 ALA A 13 39.211 -21.964 -3.087 1.00 1.00 H new ATOM 0 HB2 ALA A 13 39.333 -23.624 -3.718 1.00 1.00 H new ATOM 0 HB3 ALA A 13 40.440 -22.362 -4.311 1.00 1.00 H new ATOM 181 N ASP A 14 37.816 -20.309 -6.440 1.00 1.00 N ATOM 182 CA ASP A 14 37.829 -18.907 -6.846 1.00 1.00 C ATOM 183 C ASP A 14 36.593 -18.185 -6.318 1.00 1.00 C ATOM 184 O ASP A 14 35.877 -17.529 -7.074 1.00 1.00 O ATOM 185 CB ASP A 14 37.870 -18.805 -8.371 1.00 1.00 C ATOM 186 CG ASP A 14 36.553 -19.298 -8.962 1.00 1.00 C ATOM 187 OD1 ASP A 14 35.932 -20.148 -8.345 1.00 1.00 O ATOM 188 OD2 ASP A 14 36.185 -18.818 -10.021 1.00 1.00 O ATOM 0 H ASP A 14 37.225 -20.912 -7.012 1.00 1.00 H new ATOM 0 HA ASP A 14 38.718 -18.435 -6.427 1.00 1.00 H new ATOM 0 HB2 ASP A 14 38.048 -17.772 -8.670 1.00 1.00 H new ATOM 0 HB3 ASP A 14 38.698 -19.397 -8.761 1.00 1.00 H new ATOM 193 N ASN A 15 36.351 -18.311 -5.017 1.00 1.00 N ATOM 194 CA ASN A 15 35.198 -17.665 -4.400 1.00 1.00 C ATOM 195 C ASN A 15 35.494 -17.317 -2.944 1.00 1.00 C ATOM 196 O ASN A 15 34.670 -17.553 -2.061 1.00 1.00 O ATOM 197 CB ASN A 15 33.983 -18.590 -4.469 1.00 1.00 C ATOM 198 CG ASN A 15 33.594 -18.835 -5.923 1.00 1.00 C ATOM 199 OD1 ASN A 15 33.173 -17.910 -6.618 1.00 1.00 O ATOM 200 ND2 ASN A 15 33.712 -20.032 -6.428 1.00 1.00 N ATOM 0 H ASN A 15 36.932 -18.849 -4.375 1.00 1.00 H new ATOM 0 HA ASN A 15 34.985 -16.745 -4.945 1.00 1.00 H new ATOM 0 HB2 ASN A 15 34.209 -19.538 -3.980 1.00 1.00 H new ATOM 0 HB3 ASN A 15 33.146 -18.145 -3.930 1.00 1.00 H new ATOM 0 HD21 ASN A 15 33.455 -20.203 -7.400 1.00 1.00 H new ATOM 0 HD22 ASN A 15 34.061 -20.797 -5.851 1.00 1.00 H new ATOM 207 N GLN A 16 36.674 -16.756 -2.703 1.00 1.00 N ATOM 208 CA GLN A 16 37.066 -16.379 -1.350 1.00 1.00 C ATOM 209 C GLN A 16 36.290 -15.150 -0.889 1.00 1.00 C ATOM 210 O GLN A 16 36.878 -14.130 -0.533 1.00 1.00 O ATOM 211 CB GLN A 16 38.567 -16.082 -1.306 1.00 1.00 C ATOM 212 CG GLN A 16 38.961 -15.257 -2.532 1.00 1.00 C ATOM 213 CD GLN A 16 39.463 -16.175 -3.639 1.00 1.00 C ATOM 214 OE1 GLN A 16 40.370 -16.979 -3.418 1.00 1.00 O ATOM 215 NE2 GLN A 16 38.927 -16.104 -4.827 1.00 1.00 N ATOM 0 H GLN A 16 37.370 -16.554 -3.420 1.00 1.00 H new ATOM 0 HA GLN A 16 36.839 -17.209 -0.682 1.00 1.00 H new ATOM 0 HB2 GLN A 16 38.814 -15.538 -0.394 1.00 1.00 H new ATOM 0 HB3 GLN A 16 39.132 -17.014 -1.285 1.00 1.00 H new ATOM 0 HG2 GLN A 16 38.104 -14.683 -2.885 1.00 1.00 H new ATOM 0 HG3 GLN A 16 39.736 -14.540 -2.264 1.00 1.00 H new ATOM 0 HE21 GLN A 16 38.176 -15.438 -5.009 1.00 1.00 H new ATOM 0 HE22 GLN A 16 39.259 -16.715 -5.574 1.00 1.00 H new ATOM 224 N SER A 17 34.964 -15.257 -0.898 1.00 1.00 N ATOM 225 CA SER A 17 34.115 -14.149 -0.479 1.00 1.00 C ATOM 226 C SER A 17 33.857 -14.210 1.023 1.00 1.00 C ATOM 227 O SER A 17 34.510 -14.962 1.746 1.00 1.00 O ATOM 228 CB SER A 17 32.785 -14.196 -1.230 1.00 1.00 C ATOM 229 OG SER A 17 32.144 -12.931 -1.130 1.00 1.00 O ATOM 0 H SER A 17 34.458 -16.094 -1.189 1.00 1.00 H new ATOM 0 HA SER A 17 34.628 -13.216 -0.710 1.00 1.00 H new ATOM 0 HB2 SER A 17 32.954 -14.449 -2.277 1.00 1.00 H new ATOM 0 HB3 SER A 17 32.146 -14.974 -0.813 1.00 1.00 H new ATOM 0 HG SER A 17 31.291 -12.957 -1.612 1.00 1.00 H new ATOM 235 N GLU A 18 32.899 -13.412 1.487 1.00 1.00 N ATOM 236 CA GLU A 18 32.562 -13.384 2.905 1.00 1.00 C ATOM 237 C GLU A 18 33.828 -13.395 3.757 1.00 1.00 C ATOM 238 O GLU A 18 34.074 -14.339 4.509 1.00 1.00 O ATOM 239 CB GLU A 18 31.693 -14.592 3.259 1.00 1.00 C ATOM 240 CG GLU A 18 30.918 -14.308 4.548 1.00 1.00 C ATOM 241 CD GLU A 18 30.804 -15.580 5.380 1.00 1.00 C ATOM 242 OE1 GLU A 18 31.835 -16.114 5.756 1.00 1.00 O ATOM 243 OE2 GLU A 18 29.687 -16.002 5.631 1.00 1.00 O ATOM 0 H GLU A 18 32.347 -12.781 0.906 1.00 1.00 H new ATOM 0 HA GLU A 18 32.009 -12.468 3.110 1.00 1.00 H new ATOM 0 HB2 GLU A 18 31.000 -14.805 2.445 1.00 1.00 H new ATOM 0 HB3 GLU A 18 32.317 -15.477 3.385 1.00 1.00 H new ATOM 0 HG2 GLU A 18 31.424 -13.532 5.123 1.00 1.00 H new ATOM 0 HG3 GLU A 18 29.924 -13.930 4.308 1.00 1.00 H new ATOM 250 N CYS A 19 34.628 -12.339 3.629 1.00 1.00 N ATOM 251 CA CYS A 19 35.869 -12.228 4.389 1.00 1.00 C ATOM 252 C CYS A 19 35.936 -10.883 5.103 1.00 1.00 C ATOM 253 O CYS A 19 36.957 -10.196 5.065 1.00 1.00 O ATOM 254 CB CYS A 19 37.069 -12.371 3.453 1.00 1.00 C ATOM 255 SG CYS A 19 36.788 -11.390 1.957 1.00 1.00 S ATOM 0 H CYS A 19 34.440 -11.551 3.009 1.00 1.00 H new ATOM 0 HA CYS A 19 35.893 -13.025 5.132 1.00 1.00 H new ATOM 0 HB2 CYS A 19 37.977 -12.037 3.955 1.00 1.00 H new ATOM 0 HB3 CYS A 19 37.217 -13.419 3.191 1.00 1.00 H new ATOM 0 HG CYS A 19 37.809 -11.509 1.162 1.00 1.00 H new ATOM 261 N GLU A 20 34.839 -10.514 5.753 1.00 1.00 N ATOM 262 CA GLU A 20 34.771 -9.251 6.478 1.00 1.00 C ATOM 263 C GLU A 20 33.721 -9.338 7.580 1.00 1.00 C ATOM 264 O GLU A 20 33.909 -10.052 8.565 1.00 1.00 O ATOM 265 CB GLU A 20 34.421 -8.108 5.516 1.00 1.00 C ATOM 266 CG GLU A 20 35.575 -7.875 4.536 1.00 1.00 C ATOM 267 CD GLU A 20 35.403 -6.530 3.840 1.00 1.00 C ATOM 268 OE1 GLU A 20 34.577 -6.449 2.947 1.00 1.00 O ATOM 269 OE2 GLU A 20 36.101 -5.600 4.209 1.00 1.00 O ATOM 0 H GLU A 20 33.985 -11.071 5.793 1.00 1.00 H new ATOM 0 HA GLU A 20 35.744 -9.051 6.927 1.00 1.00 H new ATOM 0 HB2 GLU A 20 33.511 -8.349 4.967 1.00 1.00 H new ATOM 0 HB3 GLU A 20 34.222 -7.196 6.079 1.00 1.00 H new ATOM 0 HG2 GLU A 20 36.526 -7.900 5.068 1.00 1.00 H new ATOM 0 HG3 GLU A 20 35.603 -8.676 3.797 1.00 1.00 H new ATOM 276 N TYR A 21 32.612 -8.618 7.403 1.00 1.00 N ATOM 277 CA TYR A 21 31.532 -8.625 8.386 1.00 1.00 C ATOM 278 C TYR A 21 32.089 -8.655 9.805 1.00 1.00 C ATOM 279 O TYR A 21 31.419 -9.093 10.739 1.00 1.00 O ATOM 280 CB TYR A 21 30.624 -9.835 8.152 1.00 1.00 C ATOM 281 CG TYR A 21 31.417 -11.115 8.295 1.00 1.00 C ATOM 282 CD1 TYR A 21 32.086 -11.651 7.188 1.00 1.00 C ATOM 283 CD2 TYR A 21 31.482 -11.766 9.533 1.00 1.00 C ATOM 284 CE1 TYR A 21 32.819 -12.836 7.317 1.00 1.00 C ATOM 285 CE2 TYR A 21 32.215 -12.951 9.663 1.00 1.00 C ATOM 286 CZ TYR A 21 32.884 -13.487 8.555 1.00 1.00 C ATOM 287 OH TYR A 21 33.606 -14.654 8.683 1.00 1.00 O ATOM 0 H TYR A 21 32.440 -8.025 6.591 1.00 1.00 H new ATOM 0 HA TYR A 21 30.951 -7.710 8.267 1.00 1.00 H new ATOM 0 HB2 TYR A 21 29.801 -9.826 8.867 1.00 1.00 H new ATOM 0 HB3 TYR A 21 30.182 -9.781 7.157 1.00 1.00 H new ATOM 0 HD1 TYR A 21 32.036 -11.149 6.233 1.00 1.00 H new ATOM 0 HD2 TYR A 21 30.966 -11.354 10.388 1.00 1.00 H new ATOM 0 HE1 TYR A 21 33.334 -13.248 6.462 1.00 1.00 H new ATOM 0 HE2 TYR A 21 32.265 -13.453 10.618 1.00 1.00 H new ATOM 0 HH TYR A 21 33.548 -14.975 9.607 1.00 1.00 H new ATOM 297 N THR A 22 33.322 -8.186 9.956 1.00 1.00 N ATOM 298 CA THR A 22 33.969 -8.166 11.261 1.00 1.00 C ATOM 299 C THR A 22 34.866 -6.939 11.396 1.00 1.00 C ATOM 300 O THR A 22 34.974 -6.356 12.474 1.00 1.00 O ATOM 301 CB THR A 22 34.800 -9.441 11.439 1.00 1.00 C ATOM 302 OG1 THR A 22 33.958 -10.488 11.905 1.00 1.00 O ATOM 303 CG2 THR A 22 35.919 -9.197 12.454 1.00 1.00 C ATOM 0 H THR A 22 33.891 -7.816 9.195 1.00 1.00 H new ATOM 0 HA THR A 22 33.202 -8.119 12.034 1.00 1.00 H new ATOM 0 HB THR A 22 35.241 -9.720 10.482 1.00 1.00 H new ATOM 0 HG1 THR A 22 33.023 -10.264 11.716 1.00 1.00 H new ATOM 0 HG21 THR A 22 36.505 -10.108 12.575 1.00 1.00 H new ATOM 0 HG22 THR A 22 36.565 -8.394 12.098 1.00 1.00 H new ATOM 0 HG23 THR A 22 35.485 -8.915 13.413 1.00 1.00 H new ATOM 311 N ASP A 23 35.507 -6.556 10.295 1.00 1.00 N ATOM 312 CA ASP A 23 36.394 -5.398 10.301 1.00 1.00 C ATOM 313 C ASP A 23 35.736 -4.217 9.596 1.00 1.00 C ATOM 314 O ASP A 23 36.409 -3.265 9.198 1.00 1.00 O ATOM 315 CB ASP A 23 37.708 -5.744 9.600 1.00 1.00 C ATOM 316 CG ASP A 23 38.818 -4.816 10.082 1.00 1.00 C ATOM 317 OD1 ASP A 23 38.580 -3.620 10.140 1.00 1.00 O ATOM 318 OD2 ASP A 23 39.889 -5.314 10.385 1.00 1.00 O ATOM 0 H ASP A 23 35.429 -7.027 9.394 1.00 1.00 H new ATOM 0 HA ASP A 23 36.596 -5.123 11.336 1.00 1.00 H new ATOM 0 HB2 ASP A 23 37.976 -6.781 9.803 1.00 1.00 H new ATOM 0 HB3 ASP A 23 37.589 -5.651 8.520 1.00 1.00 H new ATOM 323 N TRP A 24 34.418 -4.285 9.444 1.00 1.00 N ATOM 324 CA TRP A 24 33.679 -3.213 8.785 1.00 1.00 C ATOM 325 C TRP A 24 34.203 -1.848 9.226 1.00 1.00 C ATOM 326 O TRP A 24 35.158 -1.327 8.648 1.00 1.00 O ATOM 327 CB TRP A 24 32.182 -3.329 9.101 1.00 1.00 C ATOM 328 CG TRP A 24 31.983 -4.018 10.415 1.00 1.00 C ATOM 329 CD1 TRP A 24 32.788 -3.892 11.496 1.00 1.00 C ATOM 330 CD2 TRP A 24 30.921 -4.937 10.802 1.00 1.00 C ATOM 331 NE1 TRP A 24 32.286 -4.674 12.521 1.00 1.00 N ATOM 332 CE2 TRP A 24 31.136 -5.338 12.143 1.00 1.00 C ATOM 333 CE3 TRP A 24 29.801 -5.458 10.128 1.00 1.00 C ATOM 334 CZ2 TRP A 24 30.273 -6.223 12.789 1.00 1.00 C ATOM 335 CZ3 TRP A 24 28.930 -6.348 10.776 1.00 1.00 C ATOM 336 CH2 TRP A 24 29.166 -6.730 12.104 1.00 1.00 C ATOM 0 H TRP A 24 33.843 -5.064 9.765 1.00 1.00 H new ATOM 0 HA TRP A 24 33.822 -3.308 7.709 1.00 1.00 H new ATOM 0 HB2 TRP A 24 31.731 -2.337 9.130 1.00 1.00 H new ATOM 0 HB3 TRP A 24 31.678 -3.885 8.310 1.00 1.00 H new ATOM 0 HD1 TRP A 24 33.677 -3.281 11.550 1.00 1.00 H new ATOM 0 HE1 TRP A 24 32.714 -4.751 13.444 1.00 1.00 H new ATOM 0 HE3 TRP A 24 29.610 -5.171 9.104 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 30.459 -6.514 13.812 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 28.073 -6.741 10.248 1.00 1.00 H new ATOM 0 HH2 TRP A 24 28.493 -7.416 12.597 1.00 1.00 H new ATOM 347 N LYS A 25 33.574 -1.272 10.249 1.00 1.00 N ATOM 348 CA LYS A 25 33.989 0.033 10.755 1.00 1.00 C ATOM 349 C LYS A 25 34.731 -0.116 12.080 1.00 1.00 C ATOM 350 O LYS A 25 34.864 0.843 12.840 1.00 1.00 O ATOM 351 CB LYS A 25 32.768 0.939 10.947 1.00 1.00 C ATOM 352 CG LYS A 25 31.571 0.111 11.427 1.00 1.00 C ATOM 353 CD LYS A 25 31.929 -0.606 12.730 1.00 1.00 C ATOM 354 CE LYS A 25 30.647 -1.058 13.433 1.00 1.00 C ATOM 355 NZ LYS A 25 29.920 0.135 13.953 1.00 1.00 N ATOM 0 H LYS A 25 32.781 -1.685 10.740 1.00 1.00 H new ATOM 0 HA LYS A 25 34.660 0.485 10.025 1.00 1.00 H new ATOM 0 HB2 LYS A 25 32.995 1.720 11.673 1.00 1.00 H new ATOM 0 HB3 LYS A 25 32.523 1.437 10.009 1.00 1.00 H new ATOM 0 HG2 LYS A 25 30.708 0.758 11.582 1.00 1.00 H new ATOM 0 HG3 LYS A 25 31.291 -0.617 10.665 1.00 1.00 H new ATOM 0 HD2 LYS A 25 32.565 -1.467 12.521 1.00 1.00 H new ATOM 0 HD3 LYS A 25 32.497 0.060 13.380 1.00 1.00 H new ATOM 0 HE2 LYS A 25 30.013 -1.609 12.738 1.00 1.00 H new ATOM 0 HE3 LYS A 25 30.888 -1.736 14.252 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 29.321 -0.146 14.755 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 30.607 0.850 14.267 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 29.324 0.534 13.200 1.00 1.00 H new ATOM 369 N SER A 26 35.213 -1.325 12.351 1.00 1.00 N ATOM 370 CA SER A 26 35.940 -1.588 13.588 1.00 1.00 C ATOM 371 C SER A 26 37.414 -1.229 13.428 1.00 1.00 C ATOM 372 O SER A 26 38.143 -1.109 14.413 1.00 1.00 O ATOM 373 CB SER A 26 35.811 -3.063 13.968 1.00 1.00 C ATOM 374 OG SER A 26 36.941 -3.774 13.478 1.00 1.00 O ATOM 0 H SER A 26 35.114 -2.133 11.736 1.00 1.00 H new ATOM 0 HA SER A 26 35.510 -0.972 14.378 1.00 1.00 H new ATOM 0 HB2 SER A 26 35.743 -3.167 15.051 1.00 1.00 H new ATOM 0 HB3 SER A 26 34.895 -3.480 13.549 1.00 1.00 H new ATOM 0 HG SER A 26 36.863 -4.720 13.721 1.00 1.00 H new ATOM 380 N SER A 27 37.846 -1.061 12.184 1.00 1.00 N ATOM 381 CA SER A 27 39.236 -0.717 11.908 1.00 1.00 C ATOM 382 C SER A 27 40.175 -1.726 12.563 1.00 1.00 C ATOM 383 O SER A 27 41.252 -1.368 13.040 1.00 1.00 O ATOM 384 CB SER A 27 39.542 0.684 12.438 1.00 1.00 C ATOM 385 OG SER A 27 38.929 1.649 11.593 1.00 1.00 O ATOM 0 H SER A 27 37.259 -1.156 11.355 1.00 1.00 H new ATOM 0 HA SER A 27 39.390 -0.739 10.829 1.00 1.00 H new ATOM 0 HB2 SER A 27 39.172 0.789 13.458 1.00 1.00 H new ATOM 0 HB3 SER A 27 40.619 0.845 12.472 1.00 1.00 H new ATOM 0 HG SER A 27 39.121 2.549 11.931 1.00 1.00 H new ATOM 391 N GLY A 28 39.758 -2.987 12.584 1.00 1.00 N ATOM 392 CA GLY A 28 40.570 -4.039 13.185 1.00 1.00 C ATOM 393 C GLY A 28 40.415 -4.042 14.702 1.00 1.00 C ATOM 394 O GLY A 28 41.026 -4.854 15.396 1.00 1.00 O ATOM 0 H GLY A 28 38.870 -3.304 12.195 1.00 1.00 H new ATOM 0 HA2 GLY A 28 40.274 -5.008 12.783 1.00 1.00 H new ATOM 0 HA3 GLY A 28 41.617 -3.891 12.922 1.00 1.00 H new ATOM 398 N ALA A 29 39.594 -3.128 15.208 1.00 1.00 N ATOM 399 CA ALA A 29 39.367 -3.033 16.645 1.00 1.00 C ATOM 400 C ALA A 29 40.684 -3.140 17.406 1.00 1.00 C ATOM 401 O ALA A 29 40.880 -4.057 18.202 1.00 1.00 O ATOM 402 CB ALA A 29 38.421 -4.147 17.098 1.00 1.00 C ATOM 0 H ALA A 29 39.079 -2.448 14.650 1.00 1.00 H new ATOM 0 HA ALA A 29 38.917 -2.064 16.859 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.256 -4.070 18.173 1.00 1.00 H new ATOM 0 HB2 ALA A 29 37.469 -4.050 16.577 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.863 -5.116 16.868 1.00 1.00 H new ATOM 408 N LEU A 30 41.584 -2.194 17.153 1.00 1.00 N ATOM 409 CA LEU A 30 42.883 -2.188 17.820 1.00 1.00 C ATOM 410 C LEU A 30 43.232 -0.782 18.297 1.00 1.00 C ATOM 411 O LEU A 30 44.364 -0.331 18.139 1.00 1.00 O ATOM 412 CB LEU A 30 43.965 -2.687 16.859 1.00 1.00 C ATOM 413 CG LEU A 30 43.849 -4.204 16.704 1.00 1.00 C ATOM 414 CD1 LEU A 30 44.068 -4.587 15.238 1.00 1.00 C ATOM 415 CD2 LEU A 30 44.911 -4.886 17.570 1.00 1.00 C ATOM 0 H LEU A 30 41.440 -1.427 16.496 1.00 1.00 H new ATOM 0 HA LEU A 30 42.831 -2.850 18.684 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.856 -2.202 15.889 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.953 -2.424 17.238 1.00 1.00 H new ATOM 0 HG LEU A 30 42.857 -4.526 17.020 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.985 -5.668 15.128 1.00 1.00 H new ATOM 0 HD12 LEU A 30 43.315 -4.101 14.618 1.00 1.00 H new ATOM 0 HD13 LEU A 30 45.060 -4.265 14.922 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.830 -5.967 17.461 1.00 1.00 H new ATOM 0 HD22 LEU A 30 45.902 -4.563 17.252 1.00 1.00 H new ATOM 0 HD23 LEU A 30 44.758 -4.614 18.614 1.00 1.00 H new ATOM 427 N ILE A 31 42.247 -0.103 18.882 1.00 1.00 N ATOM 428 CA ILE A 31 42.427 1.259 19.397 1.00 1.00 C ATOM 429 C ILE A 31 41.071 1.864 19.769 1.00 1.00 C ATOM 430 O ILE A 31 40.949 2.533 20.794 1.00 1.00 O ATOM 431 CB ILE A 31 43.162 2.160 18.370 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.571 2.493 18.896 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.396 3.474 18.112 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.489 3.440 20.099 1.00 1.00 C ATOM 0 H ILE A 31 41.307 -0.476 19.013 1.00 1.00 H new ATOM 0 HA ILE A 31 43.048 1.204 20.291 1.00 1.00 H new ATOM 0 HB ILE A 31 43.225 1.612 17.430 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.084 1.575 19.183 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.161 2.953 18.104 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.943 4.078 17.387 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.405 3.246 17.720 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.299 4.028 19.046 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.495 3.663 20.456 1.00 1.00 H new ATOM 0 HD12 ILE A 31 43.996 4.365 19.801 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.918 2.966 20.897 1.00 1.00 H new ATOM 446 N PRO A 32 40.056 1.653 18.961 1.00 1.00 N ATOM 447 CA PRO A 32 38.695 2.203 19.228 1.00 1.00 C ATOM 448 C PRO A 32 38.055 1.573 20.462 1.00 1.00 C ATOM 449 O PRO A 32 37.116 2.126 21.037 1.00 1.00 O ATOM 450 CB PRO A 32 37.890 1.864 17.963 1.00 1.00 C ATOM 451 CG PRO A 32 38.890 1.426 16.941 1.00 1.00 C ATOM 452 CD PRO A 32 40.081 0.874 17.715 1.00 1.00 C ATOM 0 HA PRO A 32 38.728 3.273 19.434 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.165 1.075 18.162 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.330 2.731 17.613 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.467 0.666 16.285 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.191 2.261 16.309 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.979 -0.194 17.905 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.015 1.013 17.171 1.00 1.00 H new ATOM 460 N ALA A 33 38.570 0.417 20.865 1.00 1.00 N ATOM 461 CA ALA A 33 38.043 -0.278 22.034 1.00 1.00 C ATOM 462 C ALA A 33 38.414 0.468 23.311 1.00 1.00 C ATOM 463 O ALA A 33 37.674 0.442 24.295 1.00 1.00 O ATOM 464 CB ALA A 33 38.599 -1.702 22.091 1.00 1.00 C ATOM 0 H ALA A 33 39.347 -0.056 20.403 1.00 1.00 H new ATOM 0 HA ALA A 33 36.957 -0.317 21.952 1.00 1.00 H new ATOM 0 HB1 ALA A 33 38.200 -2.214 22.967 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.307 -2.243 21.191 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.686 -1.666 22.156 1.00 1.00 H new ATOM 470 N ILE A 34 39.564 1.133 23.287 1.00 1.00 N ATOM 471 CA ILE A 34 40.025 1.884 24.449 1.00 1.00 C ATOM 472 C ILE A 34 39.447 3.295 24.436 1.00 1.00 C ATOM 473 O ILE A 34 39.213 3.890 25.489 1.00 1.00 O ATOM 474 CB ILE A 34 41.552 1.957 24.451 1.00 1.00 C ATOM 475 CG1 ILE A 34 42.130 0.540 24.443 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.028 2.693 25.705 1.00 1.00 C ATOM 477 CD1 ILE A 34 42.689 0.223 23.054 1.00 1.00 C ATOM 0 H ILE A 34 40.190 1.168 22.482 1.00 1.00 H new ATOM 0 HA ILE A 34 39.685 1.371 25.349 1.00 1.00 H new ATOM 0 HB ILE A 34 41.890 2.494 23.565 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.917 0.453 25.192 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.357 -0.181 24.708 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.117 2.744 25.705 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.617 3.703 25.712 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.690 2.157 26.592 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.101 -0.786 23.049 1.00 1.00 H new ATOM 0 HD12 ILE A 34 41.890 0.293 22.316 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.475 0.936 22.807 1.00 1.00 H new ATOM 489 N TYR A 35 39.218 3.825 23.240 1.00 1.00 N ATOM 490 CA TYR A 35 38.666 5.167 23.101 1.00 1.00 C ATOM 491 C TYR A 35 37.279 5.243 23.733 1.00 1.00 C ATOM 492 O TYR A 35 36.979 6.171 24.484 1.00 1.00 O ATOM 493 CB TYR A 35 38.577 5.546 21.622 1.00 1.00 C ATOM 494 CG TYR A 35 39.119 6.941 21.427 1.00 1.00 C ATOM 495 CD1 TYR A 35 38.344 8.050 21.789 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.396 7.128 20.884 1.00 1.00 C ATOM 497 CE1 TYR A 35 38.846 9.344 21.608 1.00 1.00 C ATOM 498 CE2 TYR A 35 40.898 8.422 20.703 1.00 1.00 C ATOM 499 CZ TYR A 35 40.123 9.531 21.065 1.00 1.00 C ATOM 500 OH TYR A 35 40.618 10.806 20.887 1.00 1.00 O ATOM 0 H TYR A 35 39.405 3.349 22.357 1.00 1.00 H new ATOM 0 HA TYR A 35 39.326 5.866 23.614 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.144 4.837 21.019 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.542 5.496 21.284 1.00 1.00 H new ATOM 0 HD1 TYR A 35 37.359 7.907 22.208 1.00 1.00 H new ATOM 0 HD2 TYR A 35 40.994 6.273 20.605 1.00 1.00 H new ATOM 0 HE1 TYR A 35 38.248 10.199 21.887 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.883 8.565 20.284 1.00 1.00 H new ATOM 0 HH TYR A 35 41.517 10.757 20.501 1.00 1.00 H new ATOM 510 N MET A 36 36.441 4.261 23.423 1.00 1.00 N ATOM 511 CA MET A 36 35.088 4.226 23.967 1.00 1.00 C ATOM 512 C MET A 36 35.123 3.979 25.471 1.00 1.00 C ATOM 513 O MET A 36 34.464 4.678 26.240 1.00 1.00 O ATOM 514 CB MET A 36 34.281 3.121 23.284 1.00 1.00 C ATOM 515 CG MET A 36 34.165 3.423 21.790 1.00 1.00 C ATOM 516 SD MET A 36 32.419 3.582 21.338 1.00 1.00 S ATOM 517 CE MET A 36 32.391 5.384 21.173 1.00 1.00 C ATOM 0 H MET A 36 36.671 3.484 22.803 1.00 1.00 H new ATOM 0 HA MET A 36 34.614 5.190 23.780 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.766 2.156 23.434 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.289 3.052 23.730 1.00 1.00 H new ATOM 0 HG2 MET A 36 34.698 4.343 21.552 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.630 2.626 21.210 1.00 1.00 H new ATOM 0 HE1 MET A 36 31.389 5.708 20.893 1.00 1.00 H new ATOM 0 HE2 MET A 36 32.668 5.841 22.123 1.00 1.00 H new ATOM 0 HE3 MET A 36 33.099 5.690 20.403 1.00 1.00 H new ATOM 527 N LEU A 37 35.898 2.982 25.883 1.00 1.00 N ATOM 528 CA LEU A 37 36.013 2.651 27.299 1.00 1.00 C ATOM 529 C LEU A 37 36.353 3.898 28.110 1.00 1.00 C ATOM 530 O LEU A 37 36.216 3.910 29.334 1.00 1.00 O ATOM 531 CB LEU A 37 37.105 1.595 27.502 1.00 1.00 C ATOM 532 CG LEU A 37 36.472 0.212 27.698 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.724 0.161 29.034 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.492 -0.069 26.554 1.00 1.00 C ATOM 0 H LEU A 37 36.452 2.393 25.262 1.00 1.00 H new ATOM 0 HA LEU A 37 35.057 2.255 27.641 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.771 1.579 26.640 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.713 1.851 28.370 1.00 1.00 H new ATOM 0 HG LEU A 37 37.259 -0.542 27.701 1.00 1.00 H new ATOM 0 HD11 LEU A 37 35.278 -0.825 29.164 1.00 1.00 H new ATOM 0 HD12 LEU A 37 36.421 0.354 29.849 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.940 0.918 29.041 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.042 -1.052 26.693 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.710 0.691 26.550 1.00 1.00 H new ATOM 0 HD23 LEU A 37 36.026 -0.046 25.604 1.00 1.00 H new ATOM 546 N VAL A 38 36.797 4.944 27.420 1.00 1.00 N ATOM 547 CA VAL A 38 37.155 6.191 28.086 1.00 1.00 C ATOM 548 C VAL A 38 36.065 7.240 27.885 1.00 1.00 C ATOM 549 O VAL A 38 35.916 8.156 28.694 1.00 1.00 O ATOM 550 CB VAL A 38 38.479 6.718 27.530 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.818 8.053 28.194 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.591 5.708 27.821 1.00 1.00 C ATOM 0 H VAL A 38 36.917 4.953 26.407 1.00 1.00 H new ATOM 0 HA VAL A 38 37.261 5.993 29.153 1.00 1.00 H new ATOM 0 HB VAL A 38 38.389 6.861 26.453 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.762 8.428 27.797 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.026 8.773 27.988 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.908 7.911 29.271 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.535 6.082 27.425 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.680 5.565 28.898 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.351 4.756 27.347 1.00 1.00 H new ATOM 562 N PHE A 39 35.308 7.100 26.802 1.00 1.00 N ATOM 563 CA PHE A 39 34.235 8.043 26.505 1.00 1.00 C ATOM 564 C PHE A 39 33.030 7.786 27.404 1.00 1.00 C ATOM 565 O PHE A 39 32.684 8.615 28.246 1.00 1.00 O ATOM 566 CB PHE A 39 33.818 7.915 25.039 1.00 1.00 C ATOM 567 CG PHE A 39 33.593 9.291 24.457 1.00 1.00 C ATOM 568 CD1 PHE A 39 34.687 10.117 24.173 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.291 9.738 24.200 1.00 1.00 C ATOM 570 CE1 PHE A 39 34.477 11.393 23.633 1.00 1.00 C ATOM 571 CE2 PHE A 39 32.083 11.012 23.660 1.00 1.00 C ATOM 572 CZ PHE A 39 33.176 11.840 23.377 1.00 1.00 C ATOM 0 H PHE A 39 35.416 6.349 26.120 1.00 1.00 H new ATOM 0 HA PHE A 39 34.603 9.052 26.691 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.590 7.392 24.475 1.00 1.00 H new ATOM 0 HB3 PHE A 39 32.907 7.321 24.959 1.00 1.00 H new ATOM 0 HD1 PHE A 39 35.691 9.771 24.370 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.448 9.100 24.419 1.00 1.00 H new ATOM 0 HE1 PHE A 39 35.320 12.032 23.414 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.079 11.357 23.461 1.00 1.00 H new ATOM 0 HZ PHE A 39 33.015 12.824 22.961 1.00 1.00 H new ATOM 582 N LEU A 40 32.396 6.633 27.221 1.00 1.00 N ATOM 583 CA LEU A 40 31.229 6.278 28.021 1.00 1.00 C ATOM 584 C LEU A 40 31.592 6.211 29.502 1.00 1.00 C ATOM 585 O LEU A 40 30.739 5.940 30.348 1.00 1.00 O ATOM 586 CB LEU A 40 30.673 4.925 27.568 1.00 1.00 C ATOM 587 CG LEU A 40 31.757 3.852 27.696 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.485 2.994 28.933 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.743 2.964 26.450 1.00 1.00 C ATOM 0 H LEU A 40 32.668 5.933 26.531 1.00 1.00 H new ATOM 0 HA LEU A 40 30.470 7.047 27.879 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.808 4.655 28.174 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.331 4.989 26.535 1.00 1.00 H new ATOM 0 HG LEU A 40 32.731 4.331 27.793 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.257 2.230 29.023 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.493 3.625 29.822 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.511 2.515 28.836 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.515 2.199 26.540 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.768 2.486 26.355 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.937 3.573 25.567 1.00 1.00 H new ATOM 601 N LEU A 41 32.861 6.457 29.808 1.00 1.00 N ATOM 602 CA LEU A 41 33.323 6.421 31.190 1.00 1.00 C ATOM 603 C LEU A 41 32.684 7.546 31.999 1.00 1.00 C ATOM 604 O LEU A 41 32.221 7.333 33.119 1.00 1.00 O ATOM 605 CB LEU A 41 34.846 6.560 31.236 1.00 1.00 C ATOM 606 CG LEU A 41 35.432 5.473 32.139 1.00 1.00 C ATOM 607 CD1 LEU A 41 36.952 5.633 32.211 1.00 1.00 C ATOM 608 CD2 LEU A 41 34.841 5.605 33.545 1.00 1.00 C ATOM 0 H LEU A 41 33.583 6.682 29.124 1.00 1.00 H new ATOM 0 HA LEU A 41 33.032 5.465 31.625 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.260 6.475 30.231 1.00 1.00 H new ATOM 0 HB3 LEU A 41 35.120 7.546 31.611 1.00 1.00 H new ATOM 0 HG LEU A 41 35.188 4.492 31.731 1.00 1.00 H new ATOM 0 HD11 LEU A 41 37.369 4.858 32.854 1.00 1.00 H new ATOM 0 HD12 LEU A 41 37.375 5.541 31.211 1.00 1.00 H new ATOM 0 HD13 LEU A 41 37.196 6.614 32.619 1.00 1.00 H new ATOM 0 HD21 LEU A 41 35.258 4.831 34.189 1.00 1.00 H new ATOM 0 HD22 LEU A 41 35.086 6.586 33.952 1.00 1.00 H new ATOM 0 HD23 LEU A 41 33.758 5.492 33.497 1.00 1.00 H new ATOM 620 N GLY A 42 32.664 8.744 31.422 1.00 1.00 N ATOM 621 CA GLY A 42 32.078 9.895 32.099 1.00 1.00 C ATOM 622 C GLY A 42 31.752 11.005 31.106 1.00 1.00 C ATOM 623 O GLY A 42 32.040 12.176 31.351 1.00 1.00 O ATOM 0 H GLY A 42 33.043 8.942 30.496 1.00 1.00 H new ATOM 0 HA2 GLY A 42 31.171 9.591 32.621 1.00 1.00 H new ATOM 0 HA3 GLY A 42 32.770 10.269 32.854 1.00 1.00 H new ATOM 627 N THR A 43 31.150 10.628 29.982 1.00 1.00 N ATOM 628 CA THR A 43 30.789 11.601 28.957 1.00 1.00 C ATOM 629 C THR A 43 29.300 11.923 29.026 1.00 1.00 C ATOM 630 O THR A 43 28.880 13.035 28.704 1.00 1.00 O ATOM 631 CB THR A 43 31.130 11.050 27.571 1.00 1.00 C ATOM 632 OG1 THR A 43 30.830 12.030 26.587 1.00 1.00 O ATOM 633 CG2 THR A 43 30.308 9.788 27.304 1.00 1.00 C ATOM 0 H THR A 43 30.904 9.664 29.759 1.00 1.00 H new ATOM 0 HA THR A 43 31.356 12.515 29.134 1.00 1.00 H new ATOM 0 HB THR A 43 32.191 10.804 27.529 1.00 1.00 H new ATOM 0 HG1 THR A 43 31.194 11.747 25.722 1.00 1.00 H new ATOM 0 HG21 THR A 43 30.552 9.397 26.316 1.00 1.00 H new ATOM 0 HG22 THR A 43 30.539 9.037 28.059 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.246 10.030 27.346 1.00 1.00 H new ATOM 641 N THR A 44 28.506 10.945 29.448 1.00 1.00 N ATOM 642 CA THR A 44 27.064 11.136 29.556 1.00 1.00 C ATOM 643 C THR A 44 26.538 10.524 30.850 1.00 1.00 C ATOM 644 O THR A 44 26.443 11.200 31.874 1.00 1.00 O ATOM 645 CB THR A 44 26.360 10.488 28.360 1.00 1.00 C ATOM 646 OG1 THR A 44 26.947 9.221 28.098 1.00 1.00 O ATOM 647 CG2 THR A 44 26.509 11.385 27.131 1.00 1.00 C ATOM 0 H THR A 44 28.833 10.018 29.719 1.00 1.00 H new ATOM 0 HA THR A 44 26.858 12.206 29.563 1.00 1.00 H new ATOM 0 HB THR A 44 25.302 10.359 28.586 1.00 1.00 H new ATOM 0 HG1 THR A 44 26.518 8.818 27.314 1.00 1.00 H new ATOM 0 HG21 THR A 44 26.008 10.923 26.280 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.059 12.357 27.333 1.00 1.00 H new ATOM 0 HG23 THR A 44 27.567 11.515 26.902 1.00 1.00 H new ATOM 655 N GLY A 45 26.198 9.240 30.797 1.00 1.00 N ATOM 656 CA GLY A 45 25.682 8.547 31.971 1.00 1.00 C ATOM 657 C GLY A 45 26.157 7.099 32.002 1.00 1.00 C ATOM 658 O GLY A 45 27.002 6.729 32.818 1.00 1.00 O ATOM 0 H GLY A 45 26.270 8.662 29.960 1.00 1.00 H new ATOM 0 HA2 GLY A 45 26.010 9.061 32.875 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.592 8.576 31.966 1.00 1.00 H new ATOM 662 N ASN A 46 25.609 6.282 31.108 1.00 1.00 N ATOM 663 CA ASN A 46 25.985 4.875 31.042 1.00 1.00 C ATOM 664 C ASN A 46 26.066 4.276 32.442 1.00 1.00 C ATOM 665 O ASN A 46 26.982 3.512 32.748 1.00 1.00 O ATOM 666 CB ASN A 46 27.337 4.728 30.342 1.00 1.00 C ATOM 667 CG ASN A 46 27.316 5.462 29.006 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.259 4.829 27.951 1.00 1.00 O ATOM 669 ND2 ASN A 46 27.356 6.765 28.987 1.00 1.00 N ATOM 0 H ASN A 46 24.908 6.568 30.424 1.00 1.00 H new ATOM 0 HA ASN A 46 25.223 4.341 30.475 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.129 5.130 30.974 1.00 1.00 H new ATOM 0 HB3 ASN A 46 27.561 3.673 30.183 1.00 1.00 H new ATOM 0 HD21 ASN A 46 27.340 7.263 28.097 1.00 1.00 H new ATOM 0 HD22 ASN A 46 27.403 7.287 29.862 1.00 1.00 H new ATOM 676 N GLY A 47 25.104 4.627 33.288 1.00 1.00 N ATOM 677 CA GLY A 47 25.077 4.119 34.655 1.00 1.00 C ATOM 678 C GLY A 47 23.660 3.739 35.066 1.00 1.00 C ATOM 679 O GLY A 47 23.424 2.645 35.579 1.00 1.00 O ATOM 0 H GLY A 47 24.337 5.257 33.054 1.00 1.00 H new ATOM 0 HA2 GLY A 47 25.729 3.250 34.737 1.00 1.00 H new ATOM 0 HA3 GLY A 47 25.467 4.875 35.336 1.00 1.00 H new ATOM 683 N LEU A 48 22.718 4.651 34.838 1.00 1.00 N ATOM 684 CA LEU A 48 21.324 4.404 35.189 1.00 1.00 C ATOM 685 C LEU A 48 20.404 4.812 34.044 1.00 1.00 C ATOM 686 O LEU A 48 19.183 4.687 34.139 1.00 1.00 O ATOM 687 CB LEU A 48 20.954 5.193 36.448 1.00 1.00 C ATOM 688 CG LEU A 48 20.283 4.261 37.459 1.00 1.00 C ATOM 689 CD1 LEU A 48 21.316 3.285 38.025 1.00 1.00 C ATOM 690 CD2 LEU A 48 19.689 5.092 38.599 1.00 1.00 C ATOM 0 H LEU A 48 22.894 5.562 34.414 1.00 1.00 H new ATOM 0 HA LEU A 48 21.200 3.338 35.379 1.00 1.00 H new ATOM 0 HB2 LEU A 48 21.847 5.638 36.886 1.00 1.00 H new ATOM 0 HB3 LEU A 48 20.282 6.012 36.192 1.00 1.00 H new ATOM 0 HG LEU A 48 19.491 3.700 36.963 1.00 1.00 H new ATOM 0 HD11 LEU A 48 20.835 2.623 38.745 1.00 1.00 H new ATOM 0 HD12 LEU A 48 21.740 2.693 37.214 1.00 1.00 H new ATOM 0 HD13 LEU A 48 22.111 3.843 38.520 1.00 1.00 H new ATOM 0 HD21 LEU A 48 19.210 4.430 39.321 1.00 1.00 H new ATOM 0 HD22 LEU A 48 20.483 5.653 39.092 1.00 1.00 H new ATOM 0 HD23 LEU A 48 18.950 5.785 38.197 1.00 1.00 H new ATOM 702 N VAL A 49 20.998 5.302 32.960 1.00 1.00 N ATOM 703 CA VAL A 49 20.221 5.727 31.801 1.00 1.00 C ATOM 704 C VAL A 49 19.729 4.516 31.013 1.00 1.00 C ATOM 705 O VAL A 49 18.731 4.593 30.297 1.00 1.00 O ATOM 706 CB VAL A 49 21.077 6.614 30.895 1.00 1.00 C ATOM 707 CG1 VAL A 49 20.203 7.208 29.789 1.00 1.00 C ATOM 708 CG2 VAL A 49 21.689 7.745 31.723 1.00 1.00 C ATOM 0 H VAL A 49 22.007 5.414 32.860 1.00 1.00 H new ATOM 0 HA VAL A 49 19.358 6.293 32.153 1.00 1.00 H new ATOM 0 HB VAL A 49 21.872 6.018 30.448 1.00 1.00 H new ATOM 0 HG11 VAL A 49 20.813 7.840 29.143 1.00 1.00 H new ATOM 0 HG12 VAL A 49 19.765 6.403 29.199 1.00 1.00 H new ATOM 0 HG13 VAL A 49 19.408 7.805 30.235 1.00 1.00 H new ATOM 0 HG21 VAL A 49 22.299 8.378 31.079 1.00 1.00 H new ATOM 0 HG22 VAL A 49 20.893 8.341 32.169 1.00 1.00 H new ATOM 0 HG23 VAL A 49 22.311 7.323 32.512 1.00 1.00 H new ATOM 718 N LEU A 50 20.437 3.399 31.152 1.00 1.00 N ATOM 719 CA LEU A 50 20.062 2.177 30.449 1.00 1.00 C ATOM 720 C LEU A 50 19.122 1.335 31.305 1.00 1.00 C ATOM 721 O LEU A 50 18.489 0.401 30.813 1.00 1.00 O ATOM 722 CB LEU A 50 21.316 1.364 30.112 1.00 1.00 C ATOM 723 CG LEU A 50 22.000 1.946 28.868 1.00 1.00 C ATOM 724 CD1 LEU A 50 21.146 1.698 27.618 1.00 1.00 C ATOM 725 CD2 LEU A 50 22.194 3.452 29.057 1.00 1.00 C ATOM 0 H LEU A 50 21.266 3.315 31.740 1.00 1.00 H new ATOM 0 HA LEU A 50 19.548 2.451 29.528 1.00 1.00 H new ATOM 0 HB2 LEU A 50 22.006 1.377 30.956 1.00 1.00 H new ATOM 0 HB3 LEU A 50 21.048 0.322 29.936 1.00 1.00 H new ATOM 0 HG LEU A 50 22.965 1.457 28.736 1.00 1.00 H new ATOM 0 HD11 LEU A 50 21.647 2.118 26.746 1.00 1.00 H new ATOM 0 HD12 LEU A 50 21.010 0.626 27.477 1.00 1.00 H new ATOM 0 HD13 LEU A 50 20.173 2.174 27.742 1.00 1.00 H new ATOM 0 HD21 LEU A 50 22.680 3.870 28.175 1.00 1.00 H new ATOM 0 HD22 LEU A 50 21.224 3.929 29.197 1.00 1.00 H new ATOM 0 HD23 LEU A 50 22.817 3.631 29.934 1.00 1.00 H new ATOM 737 N TRP A 51 19.036 1.672 32.587 1.00 1.00 N ATOM 738 CA TRP A 51 18.170 0.938 33.504 1.00 1.00 C ATOM 739 C TRP A 51 16.706 1.278 33.243 1.00 1.00 C ATOM 740 O TRP A 51 15.823 0.436 33.411 1.00 1.00 O ATOM 741 CB TRP A 51 18.527 1.285 34.950 1.00 1.00 C ATOM 742 CG TRP A 51 17.300 1.750 35.669 1.00 1.00 C ATOM 743 CD1 TRP A 51 16.760 2.986 35.561 1.00 1.00 C ATOM 744 CD2 TRP A 51 16.456 1.012 36.599 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.637 3.052 36.368 1.00 1.00 N ATOM 746 CE2 TRP A 51 15.409 1.862 37.027 1.00 1.00 C ATOM 747 CE3 TRP A 51 16.498 -0.298 37.108 1.00 1.00 C ATOM 748 CZ2 TRP A 51 14.436 1.426 37.928 1.00 1.00 C ATOM 749 CZ3 TRP A 51 15.520 -0.740 38.015 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.493 0.121 38.424 1.00 1.00 C ATOM 0 H TRP A 51 19.551 2.443 33.013 1.00 1.00 H new ATOM 0 HA TRP A 51 18.319 -0.129 33.340 1.00 1.00 H new ATOM 0 HB2 TRP A 51 18.947 0.413 35.451 1.00 1.00 H new ATOM 0 HB3 TRP A 51 19.290 2.063 34.971 1.00 1.00 H new ATOM 0 HD1 TRP A 51 17.142 3.788 34.947 1.00 1.00 H new ATOM 0 HE1 TRP A 51 15.049 3.880 36.464 1.00 1.00 H new ATOM 0 HE3 TRP A 51 17.287 -0.969 36.800 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 13.645 2.092 38.239 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 15.560 -1.749 38.399 1.00 1.00 H new ATOM 0 HH2 TRP A 51 13.745 -0.224 39.123 1.00 1.00 H new ATOM 761 N THR A 52 16.454 2.517 32.833 1.00 1.00 N ATOM 762 CA THR A 52 15.092 2.956 32.553 1.00 1.00 C ATOM 763 C THR A 52 14.584 2.332 31.257 1.00 1.00 C ATOM 764 O THR A 52 13.378 2.169 31.068 1.00 1.00 O ATOM 765 CB THR A 52 15.049 4.482 32.437 1.00 1.00 C ATOM 766 OG1 THR A 52 13.737 4.940 32.733 1.00 1.00 O ATOM 767 CG2 THR A 52 15.430 4.900 31.017 1.00 1.00 C ATOM 0 H THR A 52 17.169 3.230 32.688 1.00 1.00 H new ATOM 0 HA THR A 52 14.451 2.635 33.374 1.00 1.00 H new ATOM 0 HB THR A 52 15.755 4.920 33.142 1.00 1.00 H new ATOM 0 HG1 THR A 52 13.707 5.917 32.661 1.00 1.00 H new ATOM 0 HG21 THR A 52 15.399 5.987 30.937 1.00 1.00 H new ATOM 0 HG22 THR A 52 16.437 4.548 30.792 1.00 1.00 H new ATOM 0 HG23 THR A 52 14.726 4.463 30.308 1.00 1.00 H new ATOM 775 N VAL A 53 15.509 1.985 30.369 1.00 1.00 N ATOM 776 CA VAL A 53 15.143 1.379 29.095 1.00 1.00 C ATOM 777 C VAL A 53 14.488 0.019 29.316 1.00 1.00 C ATOM 778 O VAL A 53 13.276 -0.130 29.160 1.00 1.00 O ATOM 779 CB VAL A 53 16.385 1.214 28.218 1.00 1.00 C ATOM 780 CG1 VAL A 53 16.028 0.394 26.977 1.00 1.00 C ATOM 781 CG2 VAL A 53 16.893 2.591 27.790 1.00 1.00 C ATOM 0 H VAL A 53 16.512 2.112 30.507 1.00 1.00 H new ATOM 0 HA VAL A 53 14.431 2.035 28.594 1.00 1.00 H new ATOM 0 HB VAL A 53 17.162 0.699 28.782 1.00 1.00 H new ATOM 0 HG11 VAL A 53 16.913 0.276 26.352 1.00 1.00 H new ATOM 0 HG12 VAL A 53 15.666 -0.588 27.282 1.00 1.00 H new ATOM 0 HG13 VAL A 53 15.251 0.909 26.412 1.00 1.00 H new ATOM 0 HG21 VAL A 53 17.778 2.474 27.165 1.00 1.00 H new ATOM 0 HG22 VAL A 53 16.116 3.106 27.226 1.00 1.00 H new ATOM 0 HG23 VAL A 53 17.148 3.176 28.674 1.00 1.00 H new ATOM 791 N PHE A 54 15.297 -0.969 29.682 1.00 1.00 N ATOM 792 CA PHE A 54 14.786 -2.313 29.923 1.00 1.00 C ATOM 793 C PHE A 54 13.489 -2.257 30.723 1.00 1.00 C ATOM 794 O PHE A 54 12.580 -3.058 30.506 1.00 1.00 O ATOM 795 CB PHE A 54 15.823 -3.138 30.687 1.00 1.00 C ATOM 796 CG PHE A 54 15.299 -3.453 32.067 1.00 1.00 C ATOM 797 CD1 PHE A 54 14.408 -4.517 32.252 1.00 1.00 C ATOM 798 CD2 PHE A 54 15.703 -2.681 33.163 1.00 1.00 C ATOM 799 CE1 PHE A 54 13.922 -4.810 33.532 1.00 1.00 C ATOM 800 CE2 PHE A 54 15.216 -2.972 34.443 1.00 1.00 C ATOM 801 CZ PHE A 54 14.326 -4.038 34.627 1.00 1.00 C ATOM 0 H PHE A 54 16.303 -0.866 29.818 1.00 1.00 H new ATOM 0 HA PHE A 54 14.587 -2.783 28.960 1.00 1.00 H new ATOM 0 HB2 PHE A 54 16.037 -4.061 30.148 1.00 1.00 H new ATOM 0 HB3 PHE A 54 16.760 -2.586 30.760 1.00 1.00 H new ATOM 0 HD1 PHE A 54 14.095 -5.112 31.407 1.00 1.00 H new ATOM 0 HD2 PHE A 54 16.391 -1.860 33.021 1.00 1.00 H new ATOM 0 HE1 PHE A 54 13.236 -5.632 33.674 1.00 1.00 H new ATOM 0 HE2 PHE A 54 15.526 -2.375 35.288 1.00 1.00 H new ATOM 0 HZ PHE A 54 13.951 -4.264 35.614 1.00 1.00 H new ATOM 811 N ARG A 55 13.410 -1.306 31.647 1.00 1.00 N ATOM 812 CA ARG A 55 12.218 -1.154 32.474 1.00 1.00 C ATOM 813 C ARG A 55 11.035 -0.694 31.629 1.00 1.00 C ATOM 814 O ARG A 55 9.995 -1.353 31.587 1.00 1.00 O ATOM 815 CB ARG A 55 12.479 -0.138 33.586 1.00 1.00 C ATOM 816 CG ARG A 55 11.222 0.022 34.439 1.00 1.00 C ATOM 817 CD ARG A 55 10.547 1.354 34.110 1.00 1.00 C ATOM 818 NE ARG A 55 9.189 1.368 34.632 1.00 1.00 N ATOM 819 CZ ARG A 55 8.933 1.724 35.886 1.00 1.00 C ATOM 820 NH1 ARG A 55 9.911 2.069 36.679 1.00 1.00 N ATOM 821 NH2 ARG A 55 7.704 1.729 36.325 1.00 1.00 N ATOM 0 H ARG A 55 14.151 -0.633 31.842 1.00 1.00 H new ATOM 0 HA ARG A 55 11.980 -2.122 32.916 1.00 1.00 H new ATOM 0 HB2 ARG A 55 13.312 -0.469 34.206 1.00 1.00 H new ATOM 0 HB3 ARG A 55 12.763 0.822 33.156 1.00 1.00 H new ATOM 0 HG2 ARG A 55 10.534 -0.802 34.250 1.00 1.00 H new ATOM 0 HG3 ARG A 55 11.481 -0.015 35.497 1.00 1.00 H new ATOM 0 HD2 ARG A 55 11.119 2.176 34.540 1.00 1.00 H new ATOM 0 HD3 ARG A 55 10.532 1.506 33.031 1.00 1.00 H new ATOM 0 HE ARG A 55 8.417 1.099 34.022 1.00 1.00 H new ATOM 0 HH11 ARG A 55 10.871 2.065 36.336 1.00 1.00 H new ATOM 0 HH12 ARG A 55 9.715 2.342 37.642 1.00 1.00 H new ATOM 0 HH21 ARG A 55 6.940 1.460 35.705 1.00 1.00 H new ATOM 0 HH22 ARG A 55 7.507 2.002 37.288 1.00 1.00 H new ATOM 835 N LYS A 56 11.199 0.442 30.958 1.00 1.00 N ATOM 836 CA LYS A 56 10.137 0.981 30.117 1.00 1.00 C ATOM 837 C LYS A 56 9.508 -0.124 29.274 1.00 1.00 C ATOM 838 O LYS A 56 8.292 -0.156 29.082 1.00 1.00 O ATOM 839 CB LYS A 56 10.698 2.069 29.199 1.00 1.00 C ATOM 840 CG LYS A 56 10.982 3.331 30.017 1.00 1.00 C ATOM 841 CD LYS A 56 9.761 4.251 29.975 1.00 1.00 C ATOM 842 CE LYS A 56 9.802 5.097 28.701 1.00 1.00 C ATOM 843 NZ LYS A 56 8.412 5.366 28.238 1.00 1.00 N ATOM 0 H LYS A 56 12.051 1.003 30.980 1.00 1.00 H new ATOM 0 HA LYS A 56 9.371 1.411 30.763 1.00 1.00 H new ATOM 0 HB2 LYS A 56 11.613 1.720 28.720 1.00 1.00 H new ATOM 0 HB3 LYS A 56 9.987 2.291 28.403 1.00 1.00 H new ATOM 0 HG2 LYS A 56 11.215 3.064 31.048 1.00 1.00 H new ATOM 0 HG3 LYS A 56 11.854 3.848 29.617 1.00 1.00 H new ATOM 0 HD2 LYS A 56 8.846 3.660 30.002 1.00 1.00 H new ATOM 0 HD3 LYS A 56 9.749 4.897 30.853 1.00 1.00 H new ATOM 0 HE2 LYS A 56 10.321 6.036 28.892 1.00 1.00 H new ATOM 0 HE3 LYS A 56 10.361 4.576 27.924 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 8.440 5.941 27.372 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 7.932 4.465 28.040 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 7.893 5.880 28.978 1.00 1.00 H new ATOM 857 N LYS A 57 10.343 -1.028 28.773 1.00 1.00 N ATOM 858 CA LYS A 57 9.858 -2.130 27.951 1.00 1.00 C ATOM 859 C LYS A 57 9.132 -3.160 28.811 1.00 1.00 C ATOM 860 O LYS A 57 9.304 -4.366 28.630 1.00 1.00 O ATOM 861 CB LYS A 57 11.029 -2.799 27.230 1.00 1.00 C ATOM 862 CG LYS A 57 11.559 -1.864 26.141 1.00 1.00 C ATOM 863 CD LYS A 57 13.068 -2.065 25.984 1.00 1.00 C ATOM 864 CE LYS A 57 13.508 -1.581 24.603 1.00 1.00 C ATOM 865 NZ LYS A 57 14.995 -1.603 24.519 1.00 1.00 N ATOM 0 H LYS A 57 11.352 -1.020 28.920 1.00 1.00 H new ATOM 0 HA LYS A 57 9.160 -1.730 27.215 1.00 1.00 H new ATOM 0 HB2 LYS A 57 11.822 -3.033 27.941 1.00 1.00 H new ATOM 0 HB3 LYS A 57 10.707 -3.743 26.789 1.00 1.00 H new ATOM 0 HG2 LYS A 57 11.054 -2.066 25.196 1.00 1.00 H new ATOM 0 HG3 LYS A 57 11.345 -0.827 26.401 1.00 1.00 H new ATOM 0 HD2 LYS A 57 13.601 -1.516 26.760 1.00 1.00 H new ATOM 0 HD3 LYS A 57 13.320 -3.118 26.109 1.00 1.00 H new ATOM 0 HE2 LYS A 57 13.080 -2.218 23.829 1.00 1.00 H new ATOM 0 HE3 LYS A 57 13.138 -0.571 24.425 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 15.335 -0.693 24.147 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 15.394 -1.761 25.466 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 15.296 -2.370 23.885 1.00 1.00 H new ATOM 879 N GLY A 58 8.321 -2.677 29.747 1.00 1.00 N ATOM 880 CA GLY A 58 7.575 -3.565 30.629 1.00 1.00 C ATOM 881 C GLY A 58 6.648 -4.475 29.830 1.00 1.00 C ATOM 882 O GLY A 58 7.102 -5.380 29.132 1.00 1.00 O ATOM 0 H GLY A 58 8.165 -1.683 29.913 1.00 1.00 H new ATOM 0 HA2 GLY A 58 8.268 -4.169 31.214 1.00 1.00 H new ATOM 0 HA3 GLY A 58 6.991 -2.975 31.336 1.00 1.00 H new ATOM 886 N HIS A 59 5.347 -4.226 29.937 1.00 1.00 N ATOM 887 CA HIS A 59 4.364 -5.029 29.219 1.00 1.00 C ATOM 888 C HIS A 59 3.226 -4.151 28.706 1.00 1.00 C ATOM 889 O HIS A 59 3.196 -3.778 27.533 1.00 1.00 O ATOM 890 CB HIS A 59 3.800 -6.111 30.141 1.00 1.00 C ATOM 891 CG HIS A 59 4.768 -7.261 30.215 1.00 1.00 C ATOM 892 ND1 HIS A 59 4.568 -8.441 29.518 1.00 1.00 N ATOM 893 CD2 HIS A 59 5.946 -7.424 30.900 1.00 1.00 C ATOM 894 CE1 HIS A 59 5.601 -9.256 29.795 1.00 1.00 C ATOM 895 NE2 HIS A 59 6.471 -8.686 30.634 1.00 1.00 N ATOM 0 H HIS A 59 4.951 -3.480 30.509 1.00 1.00 H new ATOM 0 HA HIS A 59 4.858 -5.498 28.368 1.00 1.00 H new ATOM 0 HB2 HIS A 59 3.628 -5.702 31.137 1.00 1.00 H new ATOM 0 HB3 HIS A 59 2.836 -6.456 29.767 1.00 1.00 H new ATOM 0 HD2 HIS A 59 6.397 -6.686 31.547 1.00 1.00 H new ATOM 0 HE1 HIS A 59 5.714 -10.250 29.389 1.00 1.00 H new ATOM 0 HE2 HIS A 59 7.334 -9.089 31.001 1.00 1.00 H new ATOM 903 N HIS A 60 2.291 -3.825 29.594 1.00 1.00 N ATOM 904 CA HIS A 60 1.156 -2.990 29.219 1.00 1.00 C ATOM 905 C HIS A 60 1.634 -1.662 28.641 1.00 1.00 C ATOM 906 O HIS A 60 2.747 -1.218 28.920 1.00 1.00 O ATOM 907 CB HIS A 60 0.274 -2.730 30.441 1.00 1.00 C ATOM 908 CG HIS A 60 1.136 -2.627 31.669 1.00 1.00 C ATOM 909 ND1 HIS A 60 1.104 -3.579 32.676 1.00 1.00 N ATOM 910 CD2 HIS A 60 2.060 -1.693 32.067 1.00 1.00 C ATOM 911 CE1 HIS A 60 1.983 -3.200 33.622 1.00 1.00 C ATOM 912 NE2 HIS A 60 2.593 -2.056 33.300 1.00 1.00 N ATOM 0 H HIS A 60 2.297 -4.123 30.569 1.00 1.00 H new ATOM 0 HA HIS A 60 0.578 -3.515 28.459 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -0.294 -1.810 30.304 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -0.450 -3.536 30.558 1.00 1.00 H new ATOM 0 HD2 HIS A 60 2.332 -0.810 31.508 1.00 1.00 H new ATOM 0 HE1 HIS A 60 2.172 -3.753 34.530 1.00 1.00 H new ATOM 0 HE2 HIS A 60 3.298 -1.556 33.842 1.00 1.00 H new ATOM 920 N HIS A 61 0.784 -1.033 27.836 1.00 1.00 N ATOM 921 CA HIS A 61 1.131 0.245 27.225 1.00 1.00 C ATOM 922 C HIS A 61 1.728 1.191 28.262 1.00 1.00 C ATOM 923 O HIS A 61 1.287 1.225 29.411 1.00 1.00 O ATOM 924 CB HIS A 61 -0.114 0.883 26.606 1.00 1.00 C ATOM 925 CG HIS A 61 -1.235 0.868 27.608 1.00 1.00 C ATOM 926 ND1 HIS A 61 -1.092 1.384 28.886 1.00 1.00 N ATOM 927 CD2 HIS A 61 -2.526 0.403 27.534 1.00 1.00 C ATOM 928 CE1 HIS A 61 -2.264 1.219 29.525 1.00 1.00 C ATOM 929 NE2 HIS A 61 -3.174 0.625 28.746 1.00 1.00 N ATOM 0 H HIS A 61 -0.142 -1.384 27.593 1.00 1.00 H new ATOM 0 HA HIS A 61 1.872 0.064 26.446 1.00 1.00 H new ATOM 0 HB2 HIS A 61 0.102 1.907 26.301 1.00 1.00 H new ATOM 0 HB3 HIS A 61 -0.407 0.338 25.708 1.00 1.00 H new ATOM 0 HD1 HIS A 61 -0.250 1.812 29.272 1.00 1.00 H new ATOM 0 HD2 HIS A 61 -2.970 -0.064 26.667 1.00 1.00 H new ATOM 0 HE1 HIS A 61 -2.448 1.529 30.543 1.00 1.00 H new ATOM 937 N HIS A 62 2.733 1.956 27.848 1.00 1.00 N ATOM 938 CA HIS A 62 3.383 2.899 28.751 1.00 1.00 C ATOM 939 C HIS A 62 2.344 3.734 29.493 1.00 1.00 C ATOM 940 O HIS A 62 1.404 4.250 28.890 1.00 1.00 O ATOM 941 CB HIS A 62 4.314 3.822 27.962 1.00 1.00 C ATOM 942 CG HIS A 62 3.495 4.845 27.222 1.00 1.00 C ATOM 943 ND1 HIS A 62 3.796 6.198 27.258 1.00 1.00 N ATOM 944 CD2 HIS A 62 2.385 4.729 26.423 1.00 1.00 C ATOM 945 CE1 HIS A 62 2.884 6.836 26.502 1.00 1.00 C ATOM 946 NE2 HIS A 62 2.001 5.987 25.970 1.00 1.00 N ATOM 0 H HIS A 62 3.112 1.942 26.901 1.00 1.00 H new ATOM 0 HA HIS A 62 3.965 2.333 29.479 1.00 1.00 H new ATOM 0 HB2 HIS A 62 5.011 4.318 28.638 1.00 1.00 H new ATOM 0 HB3 HIS A 62 4.911 3.240 27.259 1.00 1.00 H new ATOM 0 HD2 HIS A 62 1.886 3.802 26.183 1.00 1.00 H new ATOM 0 HE1 HIS A 62 2.868 7.904 26.345 1.00 1.00 H new ATOM 0 HE2 HIS A 62 1.214 6.213 25.362 1.00 1.00 H new ATOM 954 N HIS A 63 2.522 3.862 30.804 1.00 1.00 N ATOM 955 CA HIS A 63 1.593 4.638 31.618 1.00 1.00 C ATOM 956 C HIS A 63 1.468 6.060 31.081 1.00 1.00 C ATOM 957 O HIS A 63 2.244 6.480 30.223 1.00 1.00 O ATOM 958 CB HIS A 63 2.079 4.679 33.068 1.00 1.00 C ATOM 959 CG HIS A 63 1.764 3.370 33.740 1.00 1.00 C ATOM 960 ND1 HIS A 63 1.235 3.304 35.019 1.00 1.00 N ATOM 961 CD2 HIS A 63 1.897 2.069 33.322 1.00 1.00 C ATOM 962 CE1 HIS A 63 1.071 2.004 35.325 1.00 1.00 C ATOM 963 NE2 HIS A 63 1.460 1.208 34.325 1.00 1.00 N ATOM 0 H HIS A 63 3.294 3.442 31.322 1.00 1.00 H new ATOM 0 HA HIS A 63 0.615 4.159 31.576 1.00 1.00 H new ATOM 0 HB2 HIS A 63 3.152 4.866 33.098 1.00 1.00 H new ATOM 0 HB3 HIS A 63 1.598 5.499 33.601 1.00 1.00 H new ATOM 0 HD2 HIS A 63 2.282 1.760 32.361 1.00 1.00 H new ATOM 0 HE1 HIS A 63 0.674 1.648 36.264 1.00 1.00 H new ATOM 0 HE2 HIS A 63 1.441 0.188 34.301 1.00 1.00 H new ATOM 971 N HIS A 64 0.486 6.796 31.592 1.00 1.00 N ATOM 972 CA HIS A 64 0.269 8.171 31.156 1.00 1.00 C ATOM 973 C HIS A 64 0.081 8.230 29.644 1.00 1.00 C ATOM 974 O HIS A 64 -1.056 8.318 29.211 1.00 1.00 O ATOM 975 CB HIS A 64 1.461 9.040 31.558 1.00 1.00 C ATOM 976 CG HIS A 64 1.076 10.491 31.468 1.00 1.00 C ATOM 977 ND1 HIS A 64 1.828 11.494 32.061 1.00 1.00 N ATOM 978 CD2 HIS A 64 0.022 11.125 30.857 1.00 1.00 C ATOM 979 CE1 HIS A 64 1.221 12.665 31.797 1.00 1.00 C ATOM 980 NE2 HIS A 64 0.116 12.497 31.067 1.00 1.00 N ATOM 981 OXT HIS A 64 1.077 8.184 28.940 1.00 1.00 O ATOM 0 H HIS A 64 -0.167 6.467 32.303 1.00 1.00 H new ATOM 0 HA HIS A 64 -0.633 8.547 31.638 1.00 1.00 H new ATOM 0 HB2 HIS A 64 1.775 8.798 32.573 1.00 1.00 H new ATOM 0 HB3 HIS A 64 2.310 8.837 30.905 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -0.761 10.633 30.298 1.00 1.00 H new ATOM 0 HE1 HIS A 64 1.584 13.625 32.135 1.00 1.00 H new ATOM 0 HE2 HIS A 64 -0.522 13.220 30.735 1.00 1.00 H new TER 989 HIS A 64