USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot -149:sc= 1.07 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -2.32 X(o=-9,f=-9.3) USER MOD Set 1.3: A 62 CYS SG : rot 149:sc= -0.698 USER MOD Set 1.4: A 65 CYS SG : rot -118:sc= -7.02! USER MOD Set 2.1: A 22 CYS SG : rot 90:sc= 1.08 USER MOD Set 2.2: A 25 CYS SG : rot -57:sc= 0.226 USER MOD Set 2.3: A 42 CYS SG : rot 84:sc= 0.925 USER MOD Set 2.4: A 45 CYS SG : rot 129:sc= -0.829 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 32:sc= 0.273 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 19:sc= 0.194 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0253) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 49 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.79) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.84) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.316 USER MOD Single : A 73 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.4) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 -28.495 -1.312 -35.181 1.00 0.00 N ATOM 31 CA GLY A 4 -27.991 -2.281 -34.226 1.00 0.00 C ATOM 32 C GLY A 4 -27.105 -3.327 -34.873 1.00 0.00 C ATOM 33 O GLY A 4 -27.569 -4.125 -35.687 1.00 0.00 O ATOM 0 HA2 GLY A 4 -27.428 -1.762 -33.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.831 -2.774 -33.736 1.00 0.00 H new ATOM 37 N SER A 5 -25.826 -3.321 -34.513 1.00 0.00 N ATOM 38 CA SER A 5 -24.871 -4.273 -35.068 1.00 0.00 C ATOM 39 C SER A 5 -23.510 -4.133 -34.393 1.00 0.00 C ATOM 40 O SER A 5 -23.064 -3.026 -34.092 1.00 0.00 O ATOM 41 CB SER A 5 -24.728 -4.062 -36.577 1.00 0.00 C ATOM 42 OG SER A 5 -24.071 -2.840 -36.862 1.00 0.00 O ATOM 0 H SER A 5 -25.427 -2.667 -33.839 1.00 0.00 H new ATOM 0 HA SER A 5 -25.248 -5.279 -34.882 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.167 -4.890 -37.011 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.714 -4.066 -37.043 1.00 0.00 H new ATOM 0 HG SER A 5 -23.991 -2.730 -37.833 1.00 0.00 H new ATOM 48 N SER A 6 -22.854 -5.265 -34.159 1.00 0.00 N ATOM 49 CA SER A 6 -21.545 -5.272 -33.517 1.00 0.00 C ATOM 50 C SER A 6 -20.925 -6.665 -33.559 1.00 0.00 C ATOM 51 O SER A 6 -21.630 -7.667 -33.675 1.00 0.00 O ATOM 52 CB SER A 6 -21.663 -4.798 -32.067 1.00 0.00 C ATOM 53 OG SER A 6 -20.412 -4.351 -31.573 1.00 0.00 O ATOM 0 H SER A 6 -23.208 -6.190 -34.405 1.00 0.00 H new ATOM 0 HA SER A 6 -20.896 -4.589 -34.065 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.392 -3.990 -32.003 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.034 -5.612 -31.444 1.00 0.00 H new ATOM 0 HG SER A 6 -20.515 -4.052 -30.645 1.00 0.00 H new ATOM 59 N GLY A 7 -19.600 -6.720 -33.465 1.00 0.00 N ATOM 60 CA GLY A 7 -18.906 -7.994 -33.495 1.00 0.00 C ATOM 61 C GLY A 7 -17.400 -7.836 -33.441 1.00 0.00 C ATOM 62 O GLY A 7 -16.791 -7.305 -34.370 1.00 0.00 O ATOM 0 H GLY A 7 -18.995 -5.905 -33.369 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.235 -8.603 -32.653 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.179 -8.532 -34.403 1.00 0.00 H new ATOM 66 N MET A 8 -16.797 -8.295 -32.349 1.00 0.00 N ATOM 67 CA MET A 8 -15.351 -8.201 -32.178 1.00 0.00 C ATOM 68 C MET A 8 -14.774 -9.526 -31.690 1.00 0.00 C ATOM 69 O MET A 8 -15.126 -10.008 -30.614 1.00 0.00 O ATOM 70 CB MET A 8 -15.005 -7.086 -31.190 1.00 0.00 C ATOM 71 CG MET A 8 -15.594 -7.297 -29.804 1.00 0.00 C ATOM 72 SD MET A 8 -15.812 -5.753 -28.900 1.00 0.00 S ATOM 73 CE MET A 8 -17.588 -5.745 -28.667 1.00 0.00 C ATOM 0 H MET A 8 -17.286 -8.735 -31.570 1.00 0.00 H new ATOM 0 HA MET A 8 -14.910 -7.968 -33.147 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.921 -7.009 -31.107 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.363 -6.136 -31.587 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.557 -7.799 -29.895 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.942 -7.959 -29.233 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.879 -4.848 -28.121 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.082 -5.755 -29.638 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.885 -6.627 -28.100 1.00 0.00 H new ATOM 83 N ALA A 9 -13.887 -10.110 -32.488 1.00 0.00 N ATOM 84 CA ALA A 9 -13.260 -11.378 -32.136 1.00 0.00 C ATOM 85 C ALA A 9 -11.756 -11.334 -32.383 1.00 0.00 C ATOM 86 O ALA A 9 -11.295 -10.750 -33.363 1.00 0.00 O ATOM 87 CB ALA A 9 -13.893 -12.516 -32.923 1.00 0.00 C ATOM 0 H ALA A 9 -13.586 -9.725 -33.383 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.422 -11.552 -31.072 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.415 -13.457 -32.650 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.957 -12.569 -32.693 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.761 -12.338 -33.990 1.00 0.00 H new ATOM 93 N SER A 10 -10.995 -11.955 -31.487 1.00 0.00 N ATOM 94 CA SER A 10 -9.542 -11.983 -31.605 1.00 0.00 C ATOM 95 C SER A 10 -8.964 -13.214 -30.915 1.00 0.00 C ATOM 96 O SER A 10 -9.371 -13.567 -29.808 1.00 0.00 O ATOM 97 CB SER A 10 -8.936 -10.714 -31.002 1.00 0.00 C ATOM 98 OG SER A 10 -8.840 -9.684 -31.970 1.00 0.00 O ATOM 0 H SER A 10 -11.361 -12.446 -30.671 1.00 0.00 H new ATOM 0 HA SER A 10 -9.289 -12.030 -32.664 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.549 -10.376 -30.167 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.946 -10.935 -30.602 1.00 0.00 H new ATOM 0 HG SER A 10 -9.578 -9.766 -32.610 1.00 0.00 H new ATOM 104 N SER A 11 -8.013 -13.865 -31.577 1.00 0.00 N ATOM 105 CA SER A 11 -7.381 -15.059 -31.030 1.00 0.00 C ATOM 106 C SER A 11 -6.021 -15.299 -31.678 1.00 0.00 C ATOM 107 O SER A 11 -5.886 -15.251 -32.901 1.00 0.00 O ATOM 108 CB SER A 11 -8.281 -16.279 -31.239 1.00 0.00 C ATOM 109 OG SER A 11 -8.196 -16.753 -32.571 1.00 0.00 O ATOM 0 H SER A 11 -7.663 -13.585 -32.493 1.00 0.00 H new ATOM 0 HA SER A 11 -7.232 -14.905 -29.961 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.991 -17.071 -30.549 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.314 -16.017 -31.008 1.00 0.00 H new ATOM 0 HG SER A 11 -8.779 -17.534 -32.678 1.00 0.00 H new ATOM 115 N VAL A 12 -5.015 -15.559 -30.849 1.00 0.00 N ATOM 116 CA VAL A 12 -3.664 -15.808 -31.340 1.00 0.00 C ATOM 117 C VAL A 12 -3.406 -17.301 -31.503 1.00 0.00 C ATOM 118 O VAL A 12 -4.274 -18.128 -31.218 1.00 0.00 O ATOM 119 CB VAL A 12 -2.605 -15.214 -30.393 1.00 0.00 C ATOM 120 CG1 VAL A 12 -2.753 -13.703 -30.305 1.00 0.00 C ATOM 121 CG2 VAL A 12 -2.708 -15.849 -29.014 1.00 0.00 C ATOM 0 H VAL A 12 -5.110 -15.603 -29.834 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.585 -15.321 -32.312 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.617 -15.435 -30.797 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.996 -13.302 -29.631 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.625 -13.267 -31.296 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.744 -13.456 -29.925 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.952 -15.418 -28.357 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.699 -15.661 -28.600 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.547 -16.924 -29.095 1.00 0.00 H new ATOM 131 N LEU A 13 -2.206 -17.642 -31.961 1.00 0.00 N ATOM 132 CA LEU A 13 -1.831 -19.037 -32.161 1.00 0.00 C ATOM 133 C LEU A 13 -0.603 -19.396 -31.331 1.00 0.00 C ATOM 134 O LEU A 13 0.239 -20.184 -31.760 1.00 0.00 O ATOM 135 CB LEU A 13 -1.556 -19.304 -33.642 1.00 0.00 C ATOM 136 CG LEU A 13 -0.675 -18.280 -34.357 1.00 0.00 C ATOM 137 CD1 LEU A 13 0.790 -18.680 -34.266 1.00 0.00 C ATOM 138 CD2 LEU A 13 -1.100 -18.131 -35.810 1.00 0.00 C ATOM 0 H LEU A 13 -1.476 -16.971 -32.201 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.662 -19.661 -31.834 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.086 -20.284 -33.733 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.511 -19.359 -34.164 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.799 -17.316 -33.863 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.402 -17.939 -34.781 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.088 -18.733 -33.219 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.931 -19.655 -34.733 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.461 -17.398 -36.303 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.007 -19.092 -36.317 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.137 -17.797 -35.853 1.00 0.00 H new ATOM 150 N GLU A 14 -0.508 -18.812 -30.141 1.00 0.00 N ATOM 151 CA GLU A 14 0.617 -19.072 -29.251 1.00 0.00 C ATOM 152 C GLU A 14 0.175 -19.037 -27.790 1.00 0.00 C ATOM 153 O GLU A 14 -0.700 -18.257 -27.414 1.00 0.00 O ATOM 154 CB GLU A 14 1.728 -18.045 -29.484 1.00 0.00 C ATOM 155 CG GLU A 14 2.637 -18.387 -30.652 1.00 0.00 C ATOM 156 CD GLU A 14 3.949 -17.628 -30.612 1.00 0.00 C ATOM 157 OE1 GLU A 14 4.890 -18.103 -29.944 1.00 0.00 O ATOM 158 OE2 GLU A 14 4.033 -16.557 -31.250 1.00 0.00 O ATOM 0 H GLU A 14 -1.196 -18.156 -29.771 1.00 0.00 H new ATOM 0 HA GLU A 14 1.000 -20.068 -29.473 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.277 -17.068 -29.659 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.329 -17.961 -28.579 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.841 -19.458 -30.647 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.121 -18.165 -31.586 1.00 0.00 H new ATOM 165 N MET A 15 0.786 -19.888 -26.973 1.00 0.00 N ATOM 166 CA MET A 15 0.457 -19.954 -25.554 1.00 0.00 C ATOM 167 C MET A 15 1.381 -19.056 -24.738 1.00 0.00 C ATOM 168 O MET A 15 2.315 -19.534 -24.093 1.00 0.00 O ATOM 169 CB MET A 15 0.554 -21.396 -25.052 1.00 0.00 C ATOM 170 CG MET A 15 1.822 -22.109 -25.495 1.00 0.00 C ATOM 171 SD MET A 15 1.971 -23.762 -24.791 1.00 0.00 S ATOM 172 CE MET A 15 3.304 -24.433 -25.782 1.00 0.00 C ATOM 0 H MET A 15 1.511 -20.541 -27.269 1.00 0.00 H new ATOM 0 HA MET A 15 -0.567 -19.601 -25.428 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.508 -21.397 -23.963 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.311 -21.955 -25.408 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.834 -22.179 -26.583 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.689 -21.515 -25.205 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.514 -25.455 -25.465 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.013 -24.431 -26.832 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.197 -23.822 -25.652 1.00 0.00 H new ATOM 182 N ILE A 16 1.116 -17.754 -24.773 1.00 0.00 N ATOM 183 CA ILE A 16 1.925 -16.791 -24.036 1.00 0.00 C ATOM 184 C ILE A 16 1.141 -16.189 -22.875 1.00 0.00 C ATOM 185 O ILE A 16 0.075 -15.603 -23.069 1.00 0.00 O ATOM 186 CB ILE A 16 2.420 -15.655 -24.951 1.00 0.00 C ATOM 187 CG1 ILE A 16 3.188 -16.229 -26.143 1.00 0.00 C ATOM 188 CG2 ILE A 16 3.294 -14.687 -24.168 1.00 0.00 C ATOM 189 CD1 ILE A 16 3.405 -15.231 -27.259 1.00 0.00 C ATOM 0 H ILE A 16 0.348 -17.342 -25.303 1.00 0.00 H new ATOM 0 HA ILE A 16 2.786 -17.334 -23.647 1.00 0.00 H new ATOM 0 HB ILE A 16 1.555 -15.109 -25.328 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.156 -16.594 -25.800 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.644 -17.088 -26.536 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.636 -13.890 -24.828 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.717 -14.257 -23.349 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.156 -15.219 -23.765 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.956 -15.707 -28.071 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.440 -14.884 -27.629 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.976 -14.382 -26.882 1.00 0.00 H new ATOM 201 N LYS A 17 1.676 -16.334 -21.668 1.00 0.00 N ATOM 202 CA LYS A 17 1.029 -15.802 -20.474 1.00 0.00 C ATOM 203 C LYS A 17 1.530 -14.395 -20.165 1.00 0.00 C ATOM 204 O LYS A 17 1.846 -14.078 -19.019 1.00 0.00 O ATOM 205 CB LYS A 17 1.285 -16.721 -19.278 1.00 0.00 C ATOM 206 CG LYS A 17 0.634 -18.087 -19.409 1.00 0.00 C ATOM 207 CD LYS A 17 -0.876 -18.001 -19.263 1.00 0.00 C ATOM 208 CE LYS A 17 -1.537 -19.350 -19.500 1.00 0.00 C ATOM 209 NZ LYS A 17 -1.597 -19.691 -20.948 1.00 0.00 N ATOM 0 H LYS A 17 2.557 -16.816 -21.490 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.043 -15.753 -20.663 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.360 -16.851 -19.154 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.916 -16.237 -18.374 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.883 -18.518 -20.379 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.036 -18.757 -18.649 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.126 -17.643 -18.264 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.270 -17.272 -19.971 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.984 -20.124 -18.967 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.546 -19.338 -19.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.054 -20.617 -21.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.146 -18.966 -21.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.633 -19.728 -21.336 1.00 0.00 H new ATOM 269 N THR A 21 1.116 -11.533 -15.897 1.00 0.00 N ATOM 270 CA THR A 21 2.413 -11.059 -15.429 1.00 0.00 C ATOM 271 C THR A 21 2.534 -9.547 -15.584 1.00 0.00 C ATOM 272 O THR A 21 2.065 -8.974 -16.568 1.00 0.00 O ATOM 273 CB THR A 21 3.567 -11.736 -16.193 1.00 0.00 C ATOM 274 OG1 THR A 21 3.366 -13.153 -16.230 1.00 0.00 O ATOM 275 CG2 THR A 21 4.905 -11.425 -15.539 1.00 0.00 C ATOM 0 HA THR A 21 2.483 -11.320 -14.373 1.00 0.00 H new ATOM 0 HB THR A 21 3.578 -11.345 -17.210 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.425 -13.355 -16.046 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.704 -11.914 -16.096 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.069 -10.347 -15.540 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.902 -11.791 -14.512 1.00 0.00 H new ATOM 283 N CYS A 22 3.166 -8.906 -14.606 1.00 0.00 N ATOM 284 CA CYS A 22 3.349 -7.460 -14.633 1.00 0.00 C ATOM 285 C CYS A 22 3.766 -6.990 -16.024 1.00 0.00 C ATOM 286 O CYS A 22 4.815 -7.369 -16.546 1.00 0.00 O ATOM 287 CB CYS A 22 4.401 -7.039 -13.604 1.00 0.00 C ATOM 288 SG CYS A 22 4.609 -5.236 -13.449 1.00 0.00 S ATOM 0 H CYS A 22 3.560 -9.366 -13.785 1.00 0.00 H new ATOM 0 HA CYS A 22 2.397 -6.994 -14.381 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.126 -7.447 -12.631 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.359 -7.482 -13.877 1.00 0.00 H new ATOM 0 HG CYS A 22 3.795 -4.782 -12.542 1.00 0.00 H new ATOM 293 N PRO A 23 2.926 -6.145 -16.639 1.00 0.00 N ATOM 294 CA PRO A 23 3.185 -5.604 -17.977 1.00 0.00 C ATOM 295 C PRO A 23 4.345 -4.614 -17.987 1.00 0.00 C ATOM 296 O PRO A 23 4.647 -4.008 -19.015 1.00 0.00 O ATOM 297 CB PRO A 23 1.875 -4.897 -18.334 1.00 0.00 C ATOM 298 CG PRO A 23 1.261 -4.551 -17.022 1.00 0.00 C ATOM 299 CD PRO A 23 1.658 -5.651 -16.076 1.00 0.00 C ATOM 0 HA PRO A 23 3.470 -6.383 -18.684 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.057 -4.005 -18.933 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.222 -5.545 -18.918 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.617 -3.584 -16.667 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.176 -4.480 -17.105 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.788 -5.279 -15.060 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.904 -6.437 -16.034 1.00 0.00 H new ATOM 307 N ILE A 24 4.991 -4.455 -16.837 1.00 0.00 N ATOM 308 CA ILE A 24 6.118 -3.539 -16.714 1.00 0.00 C ATOM 309 C ILE A 24 7.434 -4.300 -16.591 1.00 0.00 C ATOM 310 O ILE A 24 8.313 -4.186 -17.446 1.00 0.00 O ATOM 311 CB ILE A 24 5.960 -2.610 -15.496 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.682 -1.778 -15.625 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.175 -1.706 -15.358 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.243 -1.140 -14.326 1.00 0.00 C ATOM 0 H ILE A 24 4.753 -4.949 -15.977 1.00 0.00 H new ATOM 0 HA ILE A 24 6.133 -2.935 -17.621 1.00 0.00 H new ATOM 0 HB ILE A 24 5.884 -3.223 -14.598 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.840 -0.997 -16.369 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.879 -2.415 -15.997 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.048 -1.055 -14.493 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.069 -2.316 -15.226 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.280 -1.098 -16.257 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.331 -0.566 -14.492 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.053 -1.917 -13.585 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.028 -0.477 -13.963 1.00 0.00 H new ATOM 326 N CYS A 25 7.563 -5.079 -15.522 1.00 0.00 N ATOM 327 CA CYS A 25 8.770 -5.861 -15.286 1.00 0.00 C ATOM 328 C CYS A 25 8.627 -7.268 -15.859 1.00 0.00 C ATOM 329 O CYS A 25 9.616 -7.904 -16.227 1.00 0.00 O ATOM 330 CB CYS A 25 9.069 -5.938 -13.787 1.00 0.00 C ATOM 331 SG CYS A 25 7.765 -6.752 -12.810 1.00 0.00 S ATOM 0 H CYS A 25 6.845 -5.185 -14.805 1.00 0.00 H new ATOM 0 HA CYS A 25 9.599 -5.364 -15.790 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.006 -6.475 -13.641 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.218 -4.928 -13.405 1.00 0.00 H new ATOM 0 HG CYS A 25 6.637 -6.131 -12.990 1.00 0.00 H new ATOM 336 N LEU A 26 7.391 -7.749 -15.933 1.00 0.00 N ATOM 337 CA LEU A 26 7.118 -9.080 -16.462 1.00 0.00 C ATOM 338 C LEU A 26 7.593 -10.159 -15.494 1.00 0.00 C ATOM 339 O LEU A 26 8.209 -11.143 -15.901 1.00 0.00 O ATOM 340 CB LEU A 26 7.799 -9.261 -17.820 1.00 0.00 C ATOM 341 CG LEU A 26 7.639 -8.107 -18.810 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.700 -8.185 -19.897 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.245 -8.118 -19.421 1.00 0.00 C ATOM 0 H LEU A 26 6.562 -7.237 -15.633 1.00 0.00 H new ATOM 0 HA LEU A 26 6.040 -9.180 -16.587 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.864 -9.424 -17.651 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.407 -10.167 -18.282 1.00 0.00 H new ATOM 0 HG LEU A 26 7.770 -7.169 -18.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.570 -7.356 -20.592 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.690 -8.127 -19.444 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.601 -9.128 -20.435 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.149 -7.290 -20.123 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.085 -9.060 -19.946 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.501 -8.013 -18.632 1.00 0.00 H new ATOM 355 N GLU A 27 7.302 -9.967 -14.212 1.00 0.00 N ATOM 356 CA GLU A 27 7.699 -10.924 -13.186 1.00 0.00 C ATOM 357 C GLU A 27 6.579 -11.129 -12.170 1.00 0.00 C ATOM 358 O GLU A 27 5.647 -10.328 -12.086 1.00 0.00 O ATOM 359 CB GLU A 27 8.967 -10.447 -12.475 1.00 0.00 C ATOM 360 CG GLU A 27 10.241 -10.718 -13.256 1.00 0.00 C ATOM 361 CD GLU A 27 11.486 -10.264 -12.518 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.716 -9.039 -12.441 1.00 0.00 O ATOM 363 OE2 GLU A 27 12.229 -11.134 -12.018 1.00 0.00 O ATOM 0 H GLU A 27 6.792 -9.157 -13.859 1.00 0.00 H new ATOM 0 HA GLU A 27 7.902 -11.877 -13.674 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.887 -9.376 -12.287 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.035 -10.937 -11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.315 -11.785 -13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.188 -10.209 -14.218 1.00 0.00 H new ATOM 370 N LEU A 28 6.677 -12.208 -11.400 1.00 0.00 N ATOM 371 CA LEU A 28 5.672 -12.520 -10.389 1.00 0.00 C ATOM 372 C LEU A 28 5.265 -11.267 -9.622 1.00 0.00 C ATOM 373 O LEU A 28 6.082 -10.655 -8.931 1.00 0.00 O ATOM 374 CB LEU A 28 6.207 -13.575 -9.420 1.00 0.00 C ATOM 375 CG LEU A 28 5.961 -15.032 -9.810 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.664 -15.971 -8.842 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.469 -15.328 -9.853 1.00 0.00 C ATOM 0 H LEU A 28 7.442 -12.881 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 28 4.791 -12.915 -10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.281 -13.426 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.759 -13.401 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 28 6.373 -15.195 -10.806 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.477 -17.004 -9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.736 -15.777 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.283 -15.806 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.313 -16.370 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.034 -15.147 -8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.990 -14.680 -10.587 1.00 0.00 H new ATOM 389 N LEU A 29 3.997 -10.890 -9.744 1.00 0.00 N ATOM 390 CA LEU A 29 3.480 -9.710 -9.059 1.00 0.00 C ATOM 391 C LEU A 29 3.557 -9.882 -7.546 1.00 0.00 C ATOM 392 O LEU A 29 2.895 -10.747 -6.973 1.00 0.00 O ATOM 393 CB LEU A 29 2.033 -9.445 -9.481 1.00 0.00 C ATOM 394 CG LEU A 29 1.811 -9.140 -10.963 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.444 -9.634 -11.411 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.954 -7.648 -11.227 1.00 0.00 C ATOM 0 H LEU A 29 3.308 -11.384 -10.311 1.00 0.00 H new ATOM 0 HA LEU A 29 4.097 -8.856 -9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.433 -10.316 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.653 -8.607 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 29 2.571 -9.666 -11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.304 -9.408 -12.468 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.378 -10.711 -11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.331 -9.137 -10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.793 -7.449 -12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.216 -7.102 -10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.955 -7.323 -10.945 1.00 0.00 H new ATOM 408 N LYS A 30 4.368 -9.049 -6.902 1.00 0.00 N ATOM 409 CA LYS A 30 4.530 -9.105 -5.454 1.00 0.00 C ATOM 410 C LYS A 30 3.630 -8.084 -4.766 1.00 0.00 C ATOM 411 O LYS A 30 3.814 -6.877 -4.922 1.00 0.00 O ATOM 412 CB LYS A 30 5.991 -8.851 -5.074 1.00 0.00 C ATOM 413 CG LYS A 30 6.843 -10.108 -5.059 1.00 0.00 C ATOM 414 CD LYS A 30 8.145 -9.890 -4.307 1.00 0.00 C ATOM 415 CE LYS A 30 9.186 -9.206 -5.179 1.00 0.00 C ATOM 416 NZ LYS A 30 9.796 -10.148 -6.158 1.00 0.00 N ATOM 0 H LYS A 30 4.923 -8.327 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 30 4.241 -10.101 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.422 -8.138 -5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.026 -8.387 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.285 -10.921 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.060 -10.414 -6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.957 -9.284 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.532 -10.849 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.723 -8.376 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.967 -8.783 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.581 -9.676 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.155 -10.985 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.078 -10.441 -6.851 1.00 0.00 H new ATOM 430 N GLU A 31 2.658 -8.577 -4.005 1.00 0.00 N ATOM 431 CA GLU A 31 1.730 -7.706 -3.293 1.00 0.00 C ATOM 432 C GLU A 31 1.245 -6.574 -4.195 1.00 0.00 C ATOM 433 O GLU A 31 1.322 -5.395 -3.850 1.00 0.00 O ATOM 434 CB GLU A 31 2.396 -7.126 -2.043 1.00 0.00 C ATOM 435 CG GLU A 31 2.353 -8.057 -0.843 1.00 0.00 C ATOM 436 CD GLU A 31 2.319 -7.309 0.475 1.00 0.00 C ATOM 437 OE1 GLU A 31 1.398 -6.488 0.668 1.00 0.00 O ATOM 438 OE2 GLU A 31 3.214 -7.544 1.314 1.00 0.00 O ATOM 0 H GLU A 31 2.493 -9.574 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 31 0.869 -8.304 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.435 -6.890 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.906 -6.188 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.474 -8.697 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.225 -8.710 -0.863 1.00 0.00 H new ATOM 445 N PRO A 32 0.734 -6.940 -5.380 1.00 0.00 N ATOM 446 CA PRO A 32 0.227 -5.972 -6.356 1.00 0.00 C ATOM 447 C PRO A 32 -1.065 -5.306 -5.895 1.00 0.00 C ATOM 448 O PRO A 32 -1.671 -5.722 -4.907 1.00 0.00 O ATOM 449 CB PRO A 32 -0.027 -6.824 -7.602 1.00 0.00 C ATOM 450 CG PRO A 32 -0.254 -8.201 -7.080 1.00 0.00 C ATOM 451 CD PRO A 32 0.612 -8.328 -5.857 1.00 0.00 C ATOM 0 HA PRO A 32 0.927 -5.153 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.893 -6.464 -8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.824 -6.794 -8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.304 -8.356 -6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.012 -8.950 -7.826 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.155 -8.972 -5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.585 -8.758 -6.096 1.00 0.00 H new ATOM 459 N VAL A 33 -1.482 -4.270 -6.616 1.00 0.00 N ATOM 460 CA VAL A 33 -2.703 -3.547 -6.281 1.00 0.00 C ATOM 461 C VAL A 33 -3.535 -3.268 -7.527 1.00 0.00 C ATOM 462 O VAL A 33 -3.101 -2.550 -8.428 1.00 0.00 O ATOM 463 CB VAL A 33 -2.390 -2.214 -5.576 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.954 -2.459 -4.140 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.326 -1.443 -6.342 1.00 0.00 C ATOM 0 H VAL A 33 -0.992 -3.913 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.272 -4.183 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.298 -1.611 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.737 -1.506 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.753 -2.966 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.059 -3.081 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.117 -0.504 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.414 -2.037 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.683 -1.234 -7.350 1.00 0.00 H new ATOM 475 N SER A 34 -4.735 -3.839 -7.571 1.00 0.00 N ATOM 476 CA SER A 34 -5.628 -3.654 -8.709 1.00 0.00 C ATOM 477 C SER A 34 -6.198 -2.239 -8.728 1.00 0.00 C ATOM 478 O SER A 34 -6.132 -1.518 -7.733 1.00 0.00 O ATOM 479 CB SER A 34 -6.767 -4.674 -8.661 1.00 0.00 C ATOM 480 OG SER A 34 -7.193 -5.025 -9.967 1.00 0.00 O ATOM 0 H SER A 34 -5.111 -4.433 -6.832 1.00 0.00 H new ATOM 0 HA SER A 34 -5.051 -3.807 -9.621 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.437 -5.567 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.606 -4.261 -8.100 1.00 0.00 H new ATOM 0 HG SER A 34 -7.920 -5.679 -9.909 1.00 0.00 H new ATOM 486 N ALA A 35 -6.757 -1.848 -9.869 1.00 0.00 N ATOM 487 CA ALA A 35 -7.340 -0.521 -10.018 1.00 0.00 C ATOM 488 C ALA A 35 -8.734 -0.600 -10.632 1.00 0.00 C ATOM 489 O ALA A 35 -9.180 -1.669 -11.048 1.00 0.00 O ATOM 490 CB ALA A 35 -6.436 0.361 -10.867 1.00 0.00 C ATOM 0 H ALA A 35 -6.818 -2.432 -10.703 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.433 -0.078 -9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.884 1.349 -10.970 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.462 0.453 -10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.314 -0.086 -11.853 1.00 0.00 H new ATOM 496 N ASP A 36 -9.417 0.538 -10.685 1.00 0.00 N ATOM 497 CA ASP A 36 -10.760 0.598 -11.249 1.00 0.00 C ATOM 498 C ASP A 36 -10.820 -0.126 -12.591 1.00 0.00 C ATOM 499 O ASP A 36 -11.817 -0.771 -12.917 1.00 0.00 O ATOM 500 CB ASP A 36 -11.200 2.053 -11.421 1.00 0.00 C ATOM 501 CG ASP A 36 -11.521 2.721 -10.098 1.00 0.00 C ATOM 502 OD1 ASP A 36 -10.574 3.150 -9.406 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.718 2.814 -9.755 1.00 0.00 O ATOM 0 H ASP A 36 -9.063 1.432 -10.344 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.439 0.100 -10.557 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.411 2.611 -11.924 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.078 2.090 -12.066 1.00 0.00 H new ATOM 508 N CYS A 37 -9.746 -0.015 -13.365 1.00 0.00 N ATOM 509 CA CYS A 37 -9.675 -0.657 -14.672 1.00 0.00 C ATOM 510 C CYS A 37 -9.205 -2.103 -14.543 1.00 0.00 C ATOM 511 O CYS A 37 -8.571 -2.644 -15.447 1.00 0.00 O ATOM 512 CB CYS A 37 -8.729 0.117 -15.593 1.00 0.00 C ATOM 513 SG CYS A 37 -7.173 0.631 -14.799 1.00 0.00 S ATOM 0 H CYS A 37 -8.912 0.514 -13.110 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.676 -0.655 -15.104 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.495 -0.502 -16.459 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.245 1.003 -15.964 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.761 1.744 -15.331 1.00 0.00 H new ATOM 518 N ASN A 38 -9.523 -2.723 -13.411 1.00 0.00 N ATOM 519 CA ASN A 38 -9.134 -4.107 -13.162 1.00 0.00 C ATOM 520 C ASN A 38 -7.701 -4.360 -13.622 1.00 0.00 C ATOM 521 O ASN A 38 -7.418 -5.355 -14.290 1.00 0.00 O ATOM 522 CB ASN A 38 -10.088 -5.063 -13.880 1.00 0.00 C ATOM 523 CG ASN A 38 -11.448 -5.131 -13.213 1.00 0.00 C ATOM 524 OD1 ASN A 38 -11.596 -5.709 -12.136 1.00 0.00 O ATOM 525 ND2 ASN A 38 -12.450 -4.539 -13.853 1.00 0.00 N ATOM 0 H ASN A 38 -10.049 -2.289 -12.652 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.189 -4.287 -12.088 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.209 -4.742 -14.915 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.648 -6.060 -13.905 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.389 -4.552 -13.454 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.281 -4.072 -14.744 1.00 0.00 H new ATOM 532 N HIS A 39 -6.800 -3.453 -13.258 1.00 0.00 N ATOM 533 CA HIS A 39 -5.395 -3.578 -13.632 1.00 0.00 C ATOM 534 C HIS A 39 -4.494 -3.448 -12.408 1.00 0.00 C ATOM 535 O HIS A 39 -4.380 -2.372 -11.820 1.00 0.00 O ATOM 536 CB HIS A 39 -5.025 -2.517 -14.668 1.00 0.00 C ATOM 537 CG HIS A 39 -5.742 -2.678 -15.973 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.930 -1.640 -16.861 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.317 -3.764 -16.539 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.591 -2.081 -17.916 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.838 -3.367 -17.746 1.00 0.00 N ATOM 0 H HIS A 39 -7.017 -2.624 -12.705 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.246 -4.566 -14.067 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.246 -1.531 -14.261 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.950 -2.554 -14.846 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.359 -4.758 -16.120 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.880 -1.490 -18.772 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.335 -3.968 -18.404 1.00 0.00 H new ATOM 549 N SER A 40 -3.855 -4.551 -12.029 1.00 0.00 N ATOM 550 CA SER A 40 -2.968 -4.560 -10.872 1.00 0.00 C ATOM 551 C SER A 40 -1.506 -4.587 -11.309 1.00 0.00 C ATOM 552 O SER A 40 -1.179 -5.067 -12.395 1.00 0.00 O ATOM 553 CB SER A 40 -3.268 -5.769 -9.982 1.00 0.00 C ATOM 554 OG SER A 40 -3.414 -6.947 -10.756 1.00 0.00 O ATOM 0 H SER A 40 -3.935 -5.449 -12.506 1.00 0.00 H new ATOM 0 HA SER A 40 -3.143 -3.647 -10.304 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.463 -5.902 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.180 -5.588 -9.413 1.00 0.00 H new ATOM 0 HG SER A 40 -3.603 -7.705 -10.165 1.00 0.00 H new ATOM 560 N PHE A 41 -0.630 -4.067 -10.455 1.00 0.00 N ATOM 561 CA PHE A 41 0.797 -4.030 -10.752 1.00 0.00 C ATOM 562 C PHE A 41 1.622 -4.147 -9.474 1.00 0.00 C ATOM 563 O PHE A 41 1.110 -3.952 -8.371 1.00 0.00 O ATOM 564 CB PHE A 41 1.153 -2.734 -11.485 1.00 0.00 C ATOM 565 CG PHE A 41 0.101 -2.288 -12.459 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.057 -1.671 -12.015 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.270 -2.487 -13.820 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.027 -1.259 -12.909 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.697 -2.077 -14.719 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.847 -1.463 -14.263 1.00 0.00 C ATOM 0 H PHE A 41 -0.884 -3.666 -9.552 1.00 0.00 H new ATOM 0 HA PHE A 41 1.031 -4.879 -11.394 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.316 -1.944 -10.752 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.094 -2.874 -12.017 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.204 -1.510 -10.957 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.167 -2.968 -14.182 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.925 -0.778 -12.549 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.553 -2.237 -15.777 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.604 -1.143 -14.964 1.00 0.00 H new ATOM 580 N CYS A 42 2.901 -4.469 -9.630 1.00 0.00 N ATOM 581 CA CYS A 42 3.799 -4.615 -8.490 1.00 0.00 C ATOM 582 C CYS A 42 3.757 -3.373 -7.604 1.00 0.00 C ATOM 583 O CYS A 42 4.056 -2.267 -8.053 1.00 0.00 O ATOM 584 CB CYS A 42 5.230 -4.865 -8.970 1.00 0.00 C ATOM 585 SG CYS A 42 5.393 -6.264 -10.125 1.00 0.00 S ATOM 0 H CYS A 42 3.340 -4.634 -10.536 1.00 0.00 H new ATOM 0 HA CYS A 42 3.466 -5.471 -7.903 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.602 -3.962 -9.455 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.866 -5.047 -8.104 1.00 0.00 H new ATOM 0 HG CYS A 42 5.122 -5.864 -11.332 1.00 0.00 H new ATOM 590 N ARG A 43 3.386 -3.566 -6.342 1.00 0.00 N ATOM 591 CA ARG A 43 3.305 -2.463 -5.393 1.00 0.00 C ATOM 592 C ARG A 43 4.352 -1.398 -5.705 1.00 0.00 C ATOM 593 O ARG A 43 4.100 -0.203 -5.558 1.00 0.00 O ATOM 594 CB ARG A 43 3.494 -2.976 -3.964 1.00 0.00 C ATOM 595 CG ARG A 43 3.086 -1.974 -2.897 1.00 0.00 C ATOM 596 CD ARG A 43 1.609 -2.095 -2.554 1.00 0.00 C ATOM 597 NE ARG A 43 1.246 -1.276 -1.401 1.00 0.00 N ATOM 598 CZ ARG A 43 1.072 0.040 -1.460 1.00 0.00 C ATOM 599 NH1 ARG A 43 1.228 0.682 -2.610 1.00 0.00 N ATOM 600 NH2 ARG A 43 0.742 0.716 -0.367 1.00 0.00 N ATOM 0 H ARG A 43 3.137 -4.476 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 43 2.316 -2.013 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.912 -3.888 -3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.541 -3.243 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.683 -2.133 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.298 -0.963 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.011 -1.795 -3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.369 -3.138 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 43 1.119 -1.739 -0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.482 0.165 -3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.094 1.692 -2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.622 0.225 0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.609 1.726 -0.413 1.00 0.00 H new ATOM 614 N ALA A 44 5.529 -1.842 -6.136 1.00 0.00 N ATOM 615 CA ALA A 44 6.614 -0.928 -6.471 1.00 0.00 C ATOM 616 C ALA A 44 6.420 -0.331 -7.861 1.00 0.00 C ATOM 617 O ALA A 44 6.411 0.889 -8.028 1.00 0.00 O ATOM 618 CB ALA A 44 7.953 -1.644 -6.384 1.00 0.00 C ATOM 0 H ALA A 44 5.755 -2.829 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 44 6.604 -0.111 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.754 -0.949 -6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.102 -2.016 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.964 -2.481 -7.083 1.00 0.00 H new ATOM 624 N CYS A 45 6.268 -1.199 -8.856 1.00 0.00 N ATOM 625 CA CYS A 45 6.076 -0.758 -10.232 1.00 0.00 C ATOM 626 C CYS A 45 5.018 0.339 -10.310 1.00 0.00 C ATOM 627 O CYS A 45 5.251 1.400 -10.889 1.00 0.00 O ATOM 628 CB CYS A 45 5.667 -1.939 -11.115 1.00 0.00 C ATOM 629 SG CYS A 45 7.026 -3.094 -11.487 1.00 0.00 S ATOM 0 H CYS A 45 6.274 -2.212 -8.735 1.00 0.00 H new ATOM 0 HA CYS A 45 7.021 -0.353 -10.592 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.864 -2.486 -10.622 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.263 -1.556 -12.052 1.00 0.00 H new ATOM 0 HG CYS A 45 6.650 -4.308 -11.216 1.00 0.00 H new ATOM 634 N ILE A 46 3.855 0.074 -9.723 1.00 0.00 N ATOM 635 CA ILE A 46 2.763 1.039 -9.724 1.00 0.00 C ATOM 636 C ILE A 46 3.187 2.352 -9.074 1.00 0.00 C ATOM 637 O ILE A 46 2.678 3.420 -9.416 1.00 0.00 O ATOM 638 CB ILE A 46 1.527 0.491 -8.987 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.364 1.481 -9.088 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.862 0.206 -7.530 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.385 1.401 -10.400 1.00 0.00 C ATOM 0 H ILE A 46 3.645 -0.800 -9.241 1.00 0.00 H new ATOM 0 HA ILE A 46 2.504 1.220 -10.767 1.00 0.00 H new ATOM 0 HB ILE A 46 1.226 -0.444 -9.460 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.332 1.296 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.747 2.493 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.978 -0.181 -7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.662 -0.532 -7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.186 1.127 -7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.195 2.130 -10.402 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.298 1.615 -11.222 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.798 0.400 -10.523 1.00 0.00 H new ATOM 653 N THR A 47 4.125 2.265 -8.136 1.00 0.00 N ATOM 654 CA THR A 47 4.620 3.445 -7.439 1.00 0.00 C ATOM 655 C THR A 47 5.497 4.296 -8.350 1.00 0.00 C ATOM 656 O THR A 47 5.220 5.476 -8.571 1.00 0.00 O ATOM 657 CB THR A 47 5.426 3.060 -6.184 1.00 0.00 C ATOM 658 OG1 THR A 47 4.634 2.227 -5.330 1.00 0.00 O ATOM 659 CG2 THR A 47 5.868 4.300 -5.423 1.00 0.00 C ATOM 0 H THR A 47 4.557 1.389 -7.842 1.00 0.00 H new ATOM 0 HA THR A 47 3.746 4.023 -7.138 1.00 0.00 H new ATOM 0 HB THR A 47 6.314 2.514 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.612 1.316 -5.691 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.435 4.003 -4.541 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.495 4.918 -6.066 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.991 4.870 -5.115 1.00 0.00 H new ATOM 667 N LEU A 48 6.554 3.690 -8.879 1.00 0.00 N ATOM 668 CA LEU A 48 7.472 4.393 -9.769 1.00 0.00 C ATOM 669 C LEU A 48 6.725 5.008 -10.948 1.00 0.00 C ATOM 670 O LEU A 48 6.812 6.211 -11.191 1.00 0.00 O ATOM 671 CB LEU A 48 8.551 3.436 -10.279 1.00 0.00 C ATOM 672 CG LEU A 48 9.823 3.346 -9.434 1.00 0.00 C ATOM 673 CD1 LEU A 48 9.574 2.520 -8.182 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.964 2.755 -10.248 1.00 0.00 C ATOM 0 H LEU A 48 6.797 2.714 -8.708 1.00 0.00 H new ATOM 0 HA LEU A 48 7.944 5.196 -9.203 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.118 2.439 -10.354 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.830 3.739 -11.288 1.00 0.00 H new ATOM 0 HG LEU A 48 10.106 4.354 -9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.490 2.467 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.788 2.987 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.266 1.514 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.860 2.699 -9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.691 1.755 -10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.159 3.388 -11.114 1.00 0.00 H new ATOM 686 N ASN A 49 5.988 4.174 -11.675 1.00 0.00 N ATOM 687 CA ASN A 49 5.223 4.637 -12.828 1.00 0.00 C ATOM 688 C ASN A 49 4.500 5.942 -12.512 1.00 0.00 C ATOM 689 O ASN A 49 4.669 6.943 -13.209 1.00 0.00 O ATOM 690 CB ASN A 49 4.213 3.571 -13.256 1.00 0.00 C ATOM 691 CG ASN A 49 3.272 4.068 -14.337 1.00 0.00 C ATOM 692 OD1 ASN A 49 2.243 4.679 -14.048 1.00 0.00 O ATOM 693 ND2 ASN A 49 3.622 3.807 -15.591 1.00 0.00 N ATOM 0 H ASN A 49 5.904 3.175 -11.487 1.00 0.00 H new ATOM 0 HA ASN A 49 5.919 4.818 -13.647 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.747 2.693 -13.619 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.632 3.256 -12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.029 4.116 -16.361 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.484 3.297 -15.784 1.00 0.00 H new ATOM 700 N TYR A 50 3.693 5.924 -11.456 1.00 0.00 N ATOM 701 CA TYR A 50 2.942 7.106 -11.048 1.00 0.00 C ATOM 702 C TYR A 50 3.841 8.338 -11.013 1.00 0.00 C ATOM 703 O TYR A 50 3.492 9.389 -11.549 1.00 0.00 O ATOM 704 CB TYR A 50 2.308 6.883 -9.674 1.00 0.00 C ATOM 705 CG TYR A 50 2.055 8.163 -8.910 1.00 0.00 C ATOM 706 CD1 TYR A 50 1.319 9.198 -9.473 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.550 8.336 -7.623 1.00 0.00 C ATOM 708 CE1 TYR A 50 1.086 10.369 -8.779 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.321 9.504 -6.921 1.00 0.00 C ATOM 710 CZ TYR A 50 1.589 10.517 -7.503 1.00 0.00 C ATOM 711 OH TYR A 50 1.357 11.682 -6.808 1.00 0.00 O ATOM 0 H TYR A 50 3.542 5.105 -10.868 1.00 0.00 H new ATOM 0 HA TYR A 50 2.154 7.276 -11.781 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.364 6.352 -9.800 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.959 6.239 -9.083 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.922 9.085 -10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.123 7.544 -7.164 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.513 11.164 -9.233 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.713 9.623 -5.922 1.00 0.00 H new ATOM 0 HH TYR A 50 1.778 11.625 -5.925 1.00 0.00 H new ATOM 721 N GLU A 51 5.000 8.198 -10.377 1.00 0.00 N ATOM 722 CA GLU A 51 5.949 9.300 -10.271 1.00 0.00 C ATOM 723 C GLU A 51 6.504 9.674 -11.642 1.00 0.00 C ATOM 724 O GLU A 51 6.643 10.853 -11.967 1.00 0.00 O ATOM 725 CB GLU A 51 7.096 8.925 -9.330 1.00 0.00 C ATOM 726 CG GLU A 51 6.636 8.529 -7.937 1.00 0.00 C ATOM 727 CD GLU A 51 7.692 8.782 -6.879 1.00 0.00 C ATOM 728 OE1 GLU A 51 8.894 8.718 -7.212 1.00 0.00 O ATOM 729 OE2 GLU A 51 7.317 9.046 -5.717 1.00 0.00 O ATOM 0 H GLU A 51 5.304 7.334 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 51 5.421 10.163 -9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.658 8.099 -9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.781 9.769 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.734 9.086 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.370 7.472 -7.933 1.00 0.00 H new ATOM 861 N ASN A 61 -1.478 7.835 -14.376 1.00 0.00 N ATOM 862 CA ASN A 61 -1.996 7.139 -15.548 1.00 0.00 C ATOM 863 C ASN A 61 -1.669 5.650 -15.484 1.00 0.00 C ATOM 864 O ASN A 61 -0.728 5.238 -14.805 1.00 0.00 O ATOM 865 CB ASN A 61 -1.414 7.746 -16.826 1.00 0.00 C ATOM 866 CG ASN A 61 0.046 8.128 -16.672 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.792 7.489 -15.931 1.00 0.00 O ATOM 868 ND2 ASN A 61 0.459 9.177 -17.375 1.00 0.00 N ATOM 0 HA ASN A 61 -3.080 7.255 -15.560 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.516 7.032 -17.643 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.991 8.629 -17.101 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.430 9.482 -17.313 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.195 9.677 -17.977 1.00 0.00 H new ATOM 875 N CYS A 62 -2.452 4.847 -16.197 1.00 0.00 N ATOM 876 CA CYS A 62 -2.247 3.404 -16.223 1.00 0.00 C ATOM 877 C CYS A 62 -1.249 3.015 -17.310 1.00 0.00 C ATOM 878 O CYS A 62 -1.402 3.363 -18.481 1.00 0.00 O ATOM 879 CB CYS A 62 -3.576 2.683 -16.455 1.00 0.00 C ATOM 880 SG CYS A 62 -3.731 1.103 -15.562 1.00 0.00 S ATOM 0 H CYS A 62 -3.235 5.172 -16.765 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.841 3.103 -15.257 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.391 3.340 -16.153 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.695 2.498 -17.523 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.979 0.894 -15.263 1.00 0.00 H new ATOM 885 N PRO A 63 -0.201 2.276 -16.915 1.00 0.00 N ATOM 886 CA PRO A 63 0.842 1.824 -17.839 1.00 0.00 C ATOM 887 C PRO A 63 0.335 0.763 -18.811 1.00 0.00 C ATOM 888 O PRO A 63 1.121 0.108 -19.495 1.00 0.00 O ATOM 889 CB PRO A 63 1.907 1.234 -16.912 1.00 0.00 C ATOM 890 CG PRO A 63 1.161 0.829 -15.687 1.00 0.00 C ATOM 891 CD PRO A 63 0.045 1.826 -15.534 1.00 0.00 C ATOM 0 HA PRO A 63 1.208 2.635 -18.468 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.404 0.381 -17.373 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.680 1.967 -16.681 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.769 -0.183 -15.785 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.813 0.835 -14.813 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.843 1.371 -15.095 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.332 2.654 -14.886 1.00 0.00 H new ATOM 899 N VAL A 64 -0.983 0.599 -18.866 1.00 0.00 N ATOM 900 CA VAL A 64 -1.594 -0.381 -19.755 1.00 0.00 C ATOM 901 C VAL A 64 -2.742 0.236 -20.547 1.00 0.00 C ATOM 902 O VAL A 64 -2.830 0.071 -21.764 1.00 0.00 O ATOM 903 CB VAL A 64 -2.121 -1.598 -18.971 1.00 0.00 C ATOM 904 CG1 VAL A 64 -0.978 -2.528 -18.597 1.00 0.00 C ATOM 905 CG2 VAL A 64 -2.879 -1.145 -17.732 1.00 0.00 C ATOM 0 H VAL A 64 -1.648 1.132 -18.305 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.817 -0.711 -20.445 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.811 -2.149 -19.610 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.370 -3.382 -18.044 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.483 -2.879 -19.503 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.261 -1.991 -17.976 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.244 -2.017 -17.190 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.213 -0.570 -17.088 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.723 -0.523 -18.029 1.00 0.00 H new ATOM 915 N CYS A 65 -3.620 0.947 -19.848 1.00 0.00 N ATOM 916 CA CYS A 65 -4.764 1.589 -20.485 1.00 0.00 C ATOM 917 C CYS A 65 -4.629 3.109 -20.438 1.00 0.00 C ATOM 918 O CYS A 65 -5.407 3.831 -21.063 1.00 0.00 O ATOM 919 CB CYS A 65 -6.063 1.160 -19.800 1.00 0.00 C ATOM 920 SG CYS A 65 -6.189 1.673 -18.057 1.00 0.00 S ATOM 0 H CYS A 65 -3.561 1.093 -18.840 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.791 1.276 -21.529 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.906 1.575 -20.352 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.149 0.075 -19.855 1.00 0.00 H new ATOM 0 HG CYS A 65 -6.269 0.620 -17.299 1.00 0.00 H new ATOM 925 N ARG A 66 -3.638 3.587 -19.693 1.00 0.00 N ATOM 926 CA ARG A 66 -3.402 5.020 -19.563 1.00 0.00 C ATOM 927 C ARG A 66 -4.673 5.743 -19.128 1.00 0.00 C ATOM 928 O ARG A 66 -5.034 6.778 -19.688 1.00 0.00 O ATOM 929 CB ARG A 66 -2.902 5.598 -20.889 1.00 0.00 C ATOM 930 CG ARG A 66 -1.550 5.053 -21.319 1.00 0.00 C ATOM 931 CD ARG A 66 -0.422 5.640 -20.485 1.00 0.00 C ATOM 932 NE ARG A 66 -0.086 7.000 -20.898 1.00 0.00 N ATOM 933 CZ ARG A 66 0.534 7.290 -22.036 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.883 6.321 -22.871 1.00 0.00 N ATOM 935 NH2 ARG A 66 0.805 8.553 -22.342 1.00 0.00 N ATOM 0 H ARG A 66 -2.985 3.003 -19.170 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.640 5.170 -18.798 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.634 5.385 -21.668 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.836 6.682 -20.801 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.547 3.967 -21.224 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.383 5.281 -22.372 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.711 5.641 -19.434 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.461 5.006 -20.572 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.341 7.769 -20.279 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.675 5.349 -22.640 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.359 6.547 -23.744 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.537 9.301 -21.703 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.281 8.775 -23.216 1.00 0.00 H new ATOM 949 N VAL A 67 -5.349 5.190 -18.126 1.00 0.00 N ATOM 950 CA VAL A 67 -6.580 5.782 -17.615 1.00 0.00 C ATOM 951 C VAL A 67 -6.329 6.530 -16.311 1.00 0.00 C ATOM 952 O VAL A 67 -5.598 6.071 -15.433 1.00 0.00 O ATOM 953 CB VAL A 67 -7.662 4.712 -17.380 1.00 0.00 C ATOM 954 CG1 VAL A 67 -8.919 5.342 -16.801 1.00 0.00 C ATOM 955 CG2 VAL A 67 -7.973 3.975 -18.675 1.00 0.00 C ATOM 0 H VAL A 67 -5.065 4.333 -17.652 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.932 6.483 -18.371 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.282 3.988 -16.659 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.672 4.571 -16.642 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.682 5.819 -15.850 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.305 6.088 -17.495 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.740 3.223 -18.490 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.333 4.685 -19.420 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.069 3.489 -19.043 1.00 0.00 H new ATOM 965 N PRO A 68 -6.950 7.712 -16.178 1.00 0.00 N ATOM 966 CA PRO A 68 -6.810 8.550 -14.983 1.00 0.00 C ATOM 967 C PRO A 68 -7.498 7.941 -13.766 1.00 0.00 C ATOM 968 O PRO A 68 -8.725 7.945 -13.667 1.00 0.00 O ATOM 969 CB PRO A 68 -7.495 9.858 -15.386 1.00 0.00 C ATOM 970 CG PRO A 68 -8.468 9.467 -16.444 1.00 0.00 C ATOM 971 CD PRO A 68 -7.836 8.321 -17.184 1.00 0.00 C ATOM 0 HA PRO A 68 -5.767 8.672 -14.689 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.998 10.319 -14.536 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.773 10.584 -15.761 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.422 9.171 -16.007 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.670 10.301 -17.116 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.583 7.613 -17.542 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.278 8.664 -18.055 1.00 0.00 H new ATOM 979 N TYR A 69 -6.699 7.420 -12.841 1.00 0.00 N ATOM 980 CA TYR A 69 -7.231 6.806 -11.630 1.00 0.00 C ATOM 981 C TYR A 69 -6.664 7.479 -10.384 1.00 0.00 C ATOM 982 O TYR A 69 -5.520 7.934 -10.358 1.00 0.00 O ATOM 983 CB TYR A 69 -6.909 5.311 -11.607 1.00 0.00 C ATOM 984 CG TYR A 69 -5.427 5.011 -11.605 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.685 5.083 -10.432 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.768 4.656 -12.776 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.331 4.810 -10.426 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.415 4.380 -12.778 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.700 4.459 -11.601 1.00 0.00 C ATOM 990 OH TYR A 69 -1.352 4.187 -11.600 1.00 0.00 O ATOM 0 H TYR A 69 -5.681 7.411 -12.907 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.313 6.938 -11.632 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.363 4.864 -10.723 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.366 4.836 -12.475 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.175 5.357 -9.510 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.324 4.595 -13.700 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.769 4.871 -9.506 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.919 4.104 -13.697 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.064 3.955 -12.508 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.483 7.544 -9.323 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.085 8.158 -8.053 1.00 0.00 C ATOM 1002 C PRO A 70 -6.035 7.335 -7.315 1.00 0.00 C ATOM 1003 O PRO A 70 -6.135 6.111 -7.236 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.391 8.199 -7.255 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.217 7.097 -7.824 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.859 7.023 -9.283 1.00 0.00 C ATOM 0 HA PRO A 70 -6.627 9.136 -8.199 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.210 8.049 -6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.889 9.163 -7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.007 6.153 -7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.280 7.298 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.913 6.001 -9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.534 7.623 -9.893 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.029 8.015 -6.775 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.960 7.347 -6.043 1.00 0.00 C ATOM 1016 C PHE A 71 -4.390 7.039 -4.612 1.00 0.00 C ATOM 1017 O PHE A 71 -3.612 7.193 -3.671 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.700 8.214 -6.033 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.452 7.456 -5.681 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.912 6.536 -6.565 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -0.820 7.662 -4.465 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.236 5.836 -6.244 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.329 6.966 -4.139 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.857 6.051 -5.029 1.00 0.00 C ATOM 0 H PHE A 71 -4.932 9.029 -6.831 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.741 6.406 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.574 8.669 -7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.834 9.028 -5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.394 6.364 -7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.230 8.374 -3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.647 5.122 -6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.814 7.137 -3.189 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.754 5.505 -4.775 1.00 0.00 H new ATOM 1034 N GLY A 72 -5.637 6.604 -4.455 1.00 0.00 N ATOM 1035 CA GLY A 72 -6.150 6.282 -3.137 1.00 0.00 C ATOM 1036 C GLY A 72 -7.288 5.281 -3.186 1.00 0.00 C ATOM 1037 O GLY A 72 -8.002 5.095 -2.201 1.00 0.00 O ATOM 0 H GLY A 72 -6.301 6.469 -5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.343 5.880 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.494 7.195 -2.651 1.00 0.00 H new ATOM 1041 N ASN A 73 -7.458 4.637 -4.336 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.519 3.652 -4.510 1.00 0.00 C ATOM 1043 C ASN A 73 -7.938 2.250 -4.671 1.00 0.00 C ATOM 1044 O ASN A 73 -8.542 1.264 -4.247 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.376 4.004 -5.728 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.397 5.082 -5.424 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.375 5.690 -4.353 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -11.300 5.325 -6.367 1.00 0.00 N ATOM 0 H ASN A 73 -6.875 4.779 -5.161 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.145 3.667 -3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.729 4.338 -6.539 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.890 3.109 -6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.013 6.040 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.281 4.797 -7.240 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.764 2.169 -5.285 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.100 0.888 -5.502 1.00 0.00 C ATOM 1057 C LEU A 74 -6.369 -0.067 -4.344 1.00 0.00 C ATOM 1058 O LEU A 74 -6.265 0.309 -3.177 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.593 1.094 -5.669 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.167 2.084 -6.753 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.699 2.451 -6.594 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.427 1.505 -8.136 1.00 0.00 C ATOM 0 H LEU A 74 -6.251 2.975 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.503 0.447 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.185 1.431 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.137 0.129 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.761 2.991 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.414 3.157 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.542 2.908 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.088 1.552 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.118 2.223 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.859 0.582 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.490 1.294 -8.248 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.714 -1.307 -4.675 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.995 -2.319 -3.664 1.00 0.00 C ATOM 1076 C LYS A 75 -5.869 -3.346 -3.594 1.00 0.00 C ATOM 1077 O LYS A 75 -5.319 -3.769 -4.611 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.321 -3.020 -3.969 1.00 0.00 C ATOM 1079 CG LYS A 75 -8.247 -3.973 -5.149 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.631 -4.318 -5.675 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.091 -3.323 -6.729 1.00 0.00 C ATOM 1082 NZ LYS A 75 -11.533 -3.491 -7.059 1.00 0.00 N ATOM 0 H LYS A 75 -6.806 -1.635 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.069 -1.820 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.642 -3.573 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.083 -2.267 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.656 -3.522 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.733 -4.886 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.620 -5.321 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.343 -4.330 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.916 -2.308 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.495 -3.450 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.807 -2.794 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.696 -4.451 -7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.104 -3.345 -6.202 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.518 -3.759 -2.367 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.456 -4.743 -2.137 1.00 0.00 C ATOM 1098 C PRO A 76 -4.851 -6.141 -2.601 1.00 0.00 C ATOM 1099 O PRO A 76 -5.817 -6.720 -2.106 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.272 -4.716 -0.617 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.583 -4.250 -0.085 1.00 0.00 C ATOM 1102 CD PRO A 76 -6.131 -3.297 -1.111 1.00 0.00 C ATOM 0 HA PRO A 76 -3.550 -4.504 -2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.017 -5.703 -0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.465 -4.042 -0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.262 -5.089 0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.460 -3.757 0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.219 -3.337 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.859 -2.265 -0.887 1.00 0.00 H new