USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 630 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 Single : A 5 SER OG : rot 180:sc=4.94e-05 USER MOD Single : A 6 SER OG : rot 89:sc= -0.47! USER MOD Single : A 8 MET CE :methyl 142:sc= -0.306 (180deg=-1.12) USER MOD Single : A 9 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.11) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot -100:sc= -1.42 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -15:sc= 1.13 USER MOD Single : A 29 ASN : amide:sc= -2.21! C(o=-2.2!,f=-6.7!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0964 K(o=-0.096,f=-0.85!) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 86 THR OG1 : rot 56:sc= 0.325 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 179:sc= 0 (180deg=-0.000171) USER MOD Single : A 91 GLN : amide:sc= -2.08! K(o=-2.1!,f=-1.4) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 94 GLN : amide:sc= -0.822 K(o=-0.82,f=-4.6!) USER MOD Single : A 97 GLN : amide:sc=-0.00034 X(o=-0.00034,f=-0.051) USER MOD Single : A 102 THR OG1 : rot 152:sc= -0.763! USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.724 X(o=-0.72,f=-0.9) USER MOD Single : A 105 ASN : amide:sc= 0.45 K(o=0.45,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -37.247 5.511 -9.292 1.00 5.46 N ATOM 16 CA ILE A 2 -36.787 4.963 -8.035 1.00 4.94 C ATOM 17 C ILE A 2 -35.345 5.392 -7.811 1.00 4.60 C ATOM 18 O ILE A 2 -34.470 5.062 -8.612 1.00 4.72 O ATOM 19 CB ILE A 2 -36.886 3.424 -8.036 1.00 4.98 C ATOM 20 CG1 ILE A 2 -38.336 2.996 -8.263 1.00 5.40 C ATOM 21 CG2 ILE A 2 -36.358 2.842 -6.733 1.00 4.52 C ATOM 22 CD1 ILE A 2 -38.507 1.507 -8.460 1.00 5.69 C ATOM 0 HA ILE A 2 -37.418 5.339 -7.229 1.00 4.94 H new ATOM 0 HB ILE A 2 -36.270 3.039 -8.849 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -38.936 3.312 -7.410 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -38.726 3.516 -9.138 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -36.440 1.755 -6.760 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -35.313 3.124 -6.605 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -36.943 3.229 -5.898 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -39.562 1.279 -8.615 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -37.935 1.187 -9.331 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -38.148 0.979 -7.576 1.00 5.69 H new ATOM 34 N ASP A 3 -35.116 6.167 -6.757 1.00 4.29 N ATOM 35 CA ASP A 3 -33.784 6.683 -6.447 1.00 4.07 C ATOM 36 C ASP A 3 -32.830 5.561 -6.070 1.00 3.76 C ATOM 37 O ASP A 3 -32.577 5.308 -4.888 1.00 3.50 O ATOM 38 CB ASP A 3 -33.845 7.706 -5.309 1.00 3.99 C ATOM 39 CG ASP A 3 -34.508 9.001 -5.721 1.00 4.25 C ATOM 40 OD1 ASP A 3 -35.757 9.068 -5.696 1.00 4.39 O ATOM 41 OD2 ASP A 3 -33.789 9.958 -6.068 1.00 4.60 O ATOM 0 H ASP A 3 -35.839 6.454 -6.098 1.00 4.29 H new ATOM 0 HA ASP A 3 -33.410 7.172 -7.347 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -34.389 7.276 -4.468 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -32.834 7.916 -4.960 1.00 3.99 H new ATOM 46 N GLU A 4 -32.291 4.892 -7.080 1.00 3.88 N ATOM 47 CA GLU A 4 -31.311 3.840 -6.864 1.00 3.72 C ATOM 48 C GLU A 4 -29.990 4.428 -6.396 1.00 3.64 C ATOM 49 O GLU A 4 -29.071 3.704 -6.018 1.00 3.58 O ATOM 50 CB GLU A 4 -31.120 3.000 -8.123 1.00 4.04 C ATOM 51 CG GLU A 4 -32.369 2.232 -8.513 1.00 4.23 C ATOM 52 CD GLU A 4 -32.097 1.176 -9.570 1.00 4.68 C ATOM 53 OE1 GLU A 4 -31.560 0.097 -9.225 1.00 4.67 O ATOM 54 OE2 GLU A 4 -32.418 1.416 -10.751 1.00 5.13 O ATOM 0 H GLU A 4 -32.518 5.061 -8.060 1.00 3.88 H new ATOM 0 HA GLU A 4 -31.688 3.182 -6.081 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -30.827 3.650 -8.947 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -30.302 2.298 -7.965 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -32.789 1.755 -7.628 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -33.119 2.930 -8.886 1.00 4.23 H new ATOM 61 N SER A 5 -29.897 5.746 -6.423 1.00 3.76 N ATOM 62 CA SER A 5 -28.775 6.434 -5.826 1.00 3.85 C ATOM 63 C SER A 5 -28.680 6.056 -4.347 1.00 3.61 C ATOM 64 O SER A 5 -27.590 5.903 -3.802 1.00 3.72 O ATOM 65 CB SER A 5 -28.950 7.946 -5.989 1.00 4.10 C ATOM 66 OG SER A 5 -29.257 8.273 -7.338 1.00 4.17 O ATOM 0 H SER A 5 -30.589 6.359 -6.854 1.00 3.76 H new ATOM 0 HA SER A 5 -27.852 6.139 -6.325 1.00 3.85 H new ATOM 0 HB2 SER A 5 -29.747 8.298 -5.334 1.00 4.10 H new ATOM 0 HB3 SER A 5 -28.037 8.458 -5.684 1.00 4.10 H new ATOM 0 HG SER A 5 -29.367 9.243 -7.423 1.00 4.17 H new ATOM 72 N SER A 6 -29.844 5.859 -3.731 1.00 3.37 N ATOM 73 CA SER A 6 -29.937 5.489 -2.324 1.00 3.21 C ATOM 74 C SER A 6 -29.357 4.094 -2.079 1.00 3.07 C ATOM 75 O SER A 6 -28.495 3.904 -1.213 1.00 3.14 O ATOM 76 CB SER A 6 -31.404 5.521 -1.894 1.00 3.12 C ATOM 77 OG SER A 6 -32.060 6.664 -2.422 1.00 3.42 O ATOM 0 H SER A 6 -30.748 5.952 -4.195 1.00 3.37 H new ATOM 0 HA SER A 6 -29.358 6.202 -1.737 1.00 3.21 H new ATOM 0 HB2 SER A 6 -31.908 4.617 -2.236 1.00 3.12 H new ATOM 0 HB3 SER A 6 -31.468 5.529 -0.806 1.00 3.12 H new ATOM 0 HG SER A 6 -32.423 6.453 -3.308 1.00 3.42 H new ATOM 83 N VAL A 7 -29.820 3.122 -2.859 1.00 2.98 N ATOM 84 CA VAL A 7 -29.378 1.746 -2.690 1.00 2.91 C ATOM 85 C VAL A 7 -27.893 1.614 -2.982 1.00 3.12 C ATOM 86 O VAL A 7 -27.176 0.920 -2.269 1.00 3.14 O ATOM 87 CB VAL A 7 -30.181 0.750 -3.561 1.00 2.96 C ATOM 88 CG1 VAL A 7 -30.208 1.150 -5.025 1.00 3.24 C ATOM 89 CG2 VAL A 7 -29.617 -0.646 -3.412 1.00 2.98 C ATOM 0 H VAL A 7 -30.497 3.262 -3.609 1.00 2.98 H new ATOM 0 HA VAL A 7 -29.563 1.488 -1.647 1.00 2.91 H new ATOM 0 HB VAL A 7 -31.211 0.768 -3.204 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -30.784 0.418 -5.592 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -30.670 2.132 -5.125 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -29.189 1.187 -5.411 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -30.190 -1.338 -4.029 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -28.575 -0.653 -3.731 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -29.679 -0.954 -2.368 1.00 2.98 H new ATOM 99 N MET A 8 -27.435 2.299 -4.018 1.00 3.37 N ATOM 100 CA MET A 8 -26.028 2.265 -4.381 1.00 3.71 C ATOM 101 C MET A 8 -25.163 2.847 -3.272 1.00 3.85 C ATOM 102 O MET A 8 -24.041 2.396 -3.064 1.00 4.12 O ATOM 103 CB MET A 8 -25.783 2.998 -5.696 1.00 4.00 C ATOM 104 CG MET A 8 -26.411 2.297 -6.890 1.00 4.07 C ATOM 105 SD MET A 8 -25.914 3.019 -8.468 1.00 4.46 S ATOM 106 CE MET A 8 -24.138 2.776 -8.407 1.00 5.17 C ATOM 0 H MET A 8 -28.015 2.883 -4.620 1.00 3.37 H new ATOM 0 HA MET A 8 -25.746 1.221 -4.518 1.00 3.71 H new ATOM 0 HB2 MET A 8 -26.184 4.009 -5.623 1.00 4.00 H new ATOM 0 HB3 MET A 8 -24.709 3.092 -5.859 1.00 4.00 H new ATOM 0 HG2 MET A 8 -26.133 1.243 -6.874 1.00 4.07 H new ATOM 0 HG3 MET A 8 -27.497 2.341 -6.802 1.00 4.07 H new ATOM 0 HE1 MET A 8 -23.772 2.514 -9.400 1.00 5.17 H new ATOM 0 HE2 MET A 8 -23.656 3.695 -8.074 1.00 5.17 H new ATOM 0 HE3 MET A 8 -23.905 1.971 -7.710 1.00 5.17 H new ATOM 116 N GLN A 9 -25.695 3.831 -2.550 1.00 3.77 N ATOM 117 CA GLN A 9 -25.000 4.372 -1.388 1.00 4.01 C ATOM 118 C GLN A 9 -24.754 3.276 -0.356 1.00 3.96 C ATOM 119 O GLN A 9 -23.637 3.115 0.128 1.00 4.33 O ATOM 120 CB GLN A 9 -25.792 5.521 -0.757 1.00 4.00 C ATOM 121 CG GLN A 9 -25.790 6.791 -1.591 1.00 4.36 C ATOM 122 CD GLN A 9 -24.422 7.441 -1.677 1.00 4.96 C ATOM 123 OE1 GLN A 9 -24.070 8.045 -2.691 1.00 5.38 O ATOM 124 NE2 GLN A 9 -23.657 7.367 -0.601 1.00 5.37 N ATOM 0 H GLN A 9 -26.596 4.265 -2.748 1.00 3.77 H new ATOM 0 HA GLN A 9 -24.040 4.763 -1.724 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -26.822 5.199 -0.602 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -25.376 5.741 0.226 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -26.140 6.559 -2.597 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -26.498 7.501 -1.163 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -23.981 6.858 0.221 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -22.743 7.819 -0.593 1.00 5.37 H new ATOM 133 N LEU A 10 -25.799 2.511 -0.036 1.00 3.56 N ATOM 134 CA LEU A 10 -25.665 1.394 0.904 1.00 3.52 C ATOM 135 C LEU A 10 -24.743 0.330 0.327 1.00 3.65 C ATOM 136 O LEU A 10 -23.861 -0.193 1.006 1.00 3.90 O ATOM 137 CB LEU A 10 -27.011 0.724 1.186 1.00 3.15 C ATOM 138 CG LEU A 10 -28.194 1.631 1.493 1.00 3.03 C ATOM 139 CD1 LEU A 10 -29.383 0.790 1.880 1.00 2.85 C ATOM 140 CD2 LEU A 10 -27.863 2.620 2.592 1.00 3.23 C ATOM 0 H LEU A 10 -26.739 2.641 -0.409 1.00 3.56 H new ATOM 0 HA LEU A 10 -25.261 1.809 1.828 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -27.271 0.113 0.322 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -26.879 0.045 2.029 1.00 3.15 H new ATOM 0 HG LEU A 10 -28.431 2.206 0.598 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -30.231 1.438 2.100 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -29.640 0.123 1.057 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -29.139 0.199 2.763 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -28.730 3.252 2.786 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -27.598 2.079 3.500 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -27.023 3.241 2.281 1.00 3.23 H new ATOM 152 N ALA A 11 -24.973 0.027 -0.941 1.00 3.56 N ATOM 153 CA ALA A 11 -24.293 -1.060 -1.631 1.00 3.74 C ATOM 154 C ALA A 11 -22.790 -0.841 -1.723 1.00 4.22 C ATOM 155 O ALA A 11 -22.006 -1.721 -1.371 1.00 4.46 O ATOM 156 CB ALA A 11 -24.878 -1.231 -3.027 1.00 3.71 C ATOM 0 H ALA A 11 -25.641 0.531 -1.525 1.00 3.56 H new ATOM 0 HA ALA A 11 -24.452 -1.966 -1.046 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -24.366 -2.046 -3.539 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -25.941 -1.462 -2.950 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -24.747 -0.308 -3.592 1.00 3.71 H new ATOM 162 N GLU A 12 -22.398 0.336 -2.184 1.00 4.41 N ATOM 163 CA GLU A 12 -20.997 0.623 -2.471 1.00 4.92 C ATOM 164 C GLU A 12 -20.146 0.566 -1.213 1.00 5.14 C ATOM 165 O GLU A 12 -18.994 0.139 -1.249 1.00 5.60 O ATOM 166 CB GLU A 12 -20.869 1.990 -3.140 1.00 5.13 C ATOM 167 CG GLU A 12 -20.860 3.176 -2.191 1.00 5.27 C ATOM 168 CD GLU A 12 -20.569 4.477 -2.906 1.00 5.79 C ATOM 169 OE1 GLU A 12 -19.465 4.607 -3.474 1.00 6.27 O ATOM 170 OE2 GLU A 12 -21.428 5.380 -2.895 1.00 5.95 O ATOM 0 H GLU A 12 -23.032 1.113 -2.369 1.00 4.41 H new ATOM 0 HA GLU A 12 -20.629 -0.144 -3.152 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -19.949 2.006 -3.725 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -21.695 2.112 -3.841 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -21.826 3.246 -1.691 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -20.111 3.014 -1.416 1.00 5.27 H new ATOM 177 N MET A 13 -20.719 0.998 -0.103 1.00 4.88 N ATOM 178 CA MET A 13 -19.996 1.016 1.170 1.00 5.14 C ATOM 179 C MET A 13 -20.452 -0.114 2.093 1.00 4.89 C ATOM 180 O MET A 13 -20.273 -0.037 3.308 1.00 5.03 O ATOM 181 CB MET A 13 -20.170 2.366 1.874 1.00 5.20 C ATOM 182 CG MET A 13 -21.598 2.658 2.288 1.00 4.86 C ATOM 183 SD MET A 13 -21.754 4.170 3.261 1.00 5.10 S ATOM 184 CE MET A 13 -23.534 4.263 3.456 1.00 5.16 C ATOM 0 H MET A 13 -21.678 1.341 -0.051 1.00 4.88 H new ATOM 0 HA MET A 13 -18.940 0.865 0.944 1.00 5.14 H new ATOM 0 HB2 MET A 13 -19.533 2.389 2.758 1.00 5.20 H new ATOM 0 HB3 MET A 13 -19.824 3.159 1.211 1.00 5.20 H new ATOM 0 HG2 MET A 13 -22.219 2.740 1.396 1.00 4.86 H new ATOM 0 HG3 MET A 13 -21.982 1.818 2.867 1.00 4.86 H new ATOM 0 HE1 MET A 13 -23.790 5.148 4.038 1.00 5.16 H new ATOM 0 HE2 MET A 13 -24.005 4.325 2.475 1.00 5.16 H new ATOM 0 HE3 MET A 13 -23.890 3.372 3.974 1.00 5.16 H new ATOM 194 N GLY A 14 -21.024 -1.164 1.525 1.00 4.62 N ATOM 195 CA GLY A 14 -21.487 -2.270 2.340 1.00 4.51 C ATOM 196 C GLY A 14 -21.739 -3.524 1.538 1.00 4.38 C ATOM 197 O GLY A 14 -20.831 -4.325 1.326 1.00 4.75 O ATOM 0 H GLY A 14 -21.176 -1.272 0.522 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -20.747 -2.481 3.112 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -22.406 -1.980 2.850 1.00 4.51 H new ATOM 201 N PHE A 15 -22.975 -3.688 1.094 1.00 4.09 N ATOM 202 CA PHE A 15 -23.382 -4.855 0.322 1.00 4.04 C ATOM 203 C PHE A 15 -24.655 -4.505 -0.465 1.00 3.73 C ATOM 204 O PHE A 15 -25.280 -3.486 -0.179 1.00 3.48 O ATOM 205 CB PHE A 15 -23.566 -6.076 1.250 1.00 4.10 C ATOM 206 CG PHE A 15 -24.624 -5.941 2.312 1.00 4.27 C ATOM 207 CD1 PHE A 15 -24.389 -5.203 3.463 1.00 4.36 C ATOM 208 CD2 PHE A 15 -25.844 -6.580 2.170 1.00 4.60 C ATOM 209 CE1 PHE A 15 -25.351 -5.105 4.450 1.00 4.78 C ATOM 210 CE2 PHE A 15 -26.811 -6.485 3.152 1.00 5.01 C ATOM 211 CZ PHE A 15 -26.564 -5.746 4.293 1.00 5.09 C ATOM 0 H PHE A 15 -23.725 -3.017 1.258 1.00 4.09 H new ATOM 0 HA PHE A 15 -22.608 -5.131 -0.394 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -23.805 -6.943 0.634 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -22.614 -6.284 1.738 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -23.442 -4.699 3.589 1.00 4.36 H new ATOM 0 HD2 PHE A 15 -26.042 -7.160 1.281 1.00 4.60 H new ATOM 0 HE1 PHE A 15 -25.155 -4.529 5.342 1.00 4.78 H new ATOM 0 HE2 PHE A 15 -27.759 -6.988 3.028 1.00 5.01 H new ATOM 0 HZ PHE A 15 -27.319 -5.670 5.061 1.00 5.09 H new ATOM 221 N PRO A 16 -25.045 -5.310 -1.477 1.00 3.83 N ATOM 222 CA PRO A 16 -26.111 -4.934 -2.425 1.00 3.69 C ATOM 223 C PRO A 16 -27.508 -4.953 -1.811 1.00 3.43 C ATOM 224 O PRO A 16 -28.239 -5.933 -1.947 1.00 3.52 O ATOM 225 CB PRO A 16 -26.001 -6.013 -3.504 1.00 4.05 C ATOM 226 CG PRO A 16 -25.526 -7.198 -2.753 1.00 4.25 C ATOM 227 CD PRO A 16 -24.518 -6.656 -1.782 1.00 4.22 C ATOM 0 HA PRO A 16 -25.984 -3.912 -2.782 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -26.961 -6.200 -3.985 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -25.301 -5.727 -4.289 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -26.347 -7.694 -2.236 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -25.077 -7.935 -3.419 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -24.446 -7.274 -0.887 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -23.520 -6.610 -2.219 1.00 4.22 H new ATOM 235 N LEU A 17 -27.887 -3.867 -1.149 1.00 3.19 N ATOM 236 CA LEU A 17 -29.219 -3.768 -0.566 1.00 3.02 C ATOM 237 C LEU A 17 -30.283 -3.515 -1.632 1.00 3.04 C ATOM 238 O LEU A 17 -30.913 -2.464 -1.634 1.00 2.93 O ATOM 239 CB LEU A 17 -29.304 -2.655 0.505 1.00 2.86 C ATOM 240 CG LEU A 17 -28.809 -3.019 1.908 1.00 2.99 C ATOM 241 CD1 LEU A 17 -29.414 -4.336 2.367 1.00 3.21 C ATOM 242 CD2 LEU A 17 -27.294 -3.068 1.959 1.00 3.29 C ATOM 0 H LEU A 17 -27.296 -3.048 -1.003 1.00 3.19 H new ATOM 0 HA LEU A 17 -29.410 -4.729 -0.089 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -28.731 -1.798 0.153 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -30.343 -2.334 0.582 1.00 2.86 H new ATOM 0 HG LEU A 17 -29.137 -2.238 2.594 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -29.049 -4.576 3.366 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -30.500 -4.249 2.389 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -29.127 -5.129 1.676 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -26.972 -3.329 2.967 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -26.930 -3.818 1.257 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -26.889 -2.092 1.690 1.00 3.29 H new ATOM 254 N GLU A 18 -30.504 -4.457 -2.545 1.00 3.30 N ATOM 255 CA GLU A 18 -31.630 -4.334 -3.463 1.00 3.51 C ATOM 256 C GLU A 18 -32.932 -4.223 -2.669 1.00 3.51 C ATOM 257 O GLU A 18 -33.951 -3.755 -3.175 1.00 3.70 O ATOM 258 CB GLU A 18 -31.698 -5.489 -4.458 1.00 3.90 C ATOM 259 CG GLU A 18 -32.239 -5.037 -5.803 1.00 4.24 C ATOM 260 CD GLU A 18 -32.207 -6.123 -6.856 1.00 4.90 C ATOM 261 OE1 GLU A 18 -31.117 -6.384 -7.407 1.00 5.48 O ATOM 262 OE2 GLU A 18 -33.274 -6.699 -7.157 1.00 5.09 O ATOM 0 H GLU A 18 -29.934 -5.294 -2.667 1.00 3.30 H new ATOM 0 HA GLU A 18 -31.484 -3.427 -4.049 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -30.704 -5.915 -4.590 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -32.333 -6.279 -4.057 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -33.266 -4.693 -5.677 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -31.657 -4.184 -6.153 1.00 4.24 H new ATOM 269 N ALA A 19 -32.875 -4.651 -1.406 1.00 3.41 N ATOM 270 CA ALA A 19 -33.957 -4.429 -0.457 1.00 3.49 C ATOM 271 C ALA A 19 -34.235 -2.943 -0.324 1.00 3.32 C ATOM 272 O ALA A 19 -35.366 -2.523 -0.124 1.00 3.54 O ATOM 273 CB ALA A 19 -33.583 -5.006 0.893 1.00 3.45 C ATOM 0 H ALA A 19 -32.080 -5.158 -1.018 1.00 3.41 H new ATOM 0 HA ALA A 19 -34.856 -4.926 -0.821 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -34.396 -4.837 1.599 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -33.405 -6.077 0.794 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -32.678 -4.520 1.258 1.00 3.45 H new ATOM 279 N CYS A 20 -33.173 -2.166 -0.461 1.00 3.03 N ATOM 280 CA CYS A 20 -33.252 -0.711 -0.441 1.00 2.94 C ATOM 281 C CYS A 20 -33.894 -0.218 -1.722 1.00 3.13 C ATOM 282 O CYS A 20 -34.720 0.675 -1.693 1.00 3.27 O ATOM 283 CB CYS A 20 -31.866 -0.078 -0.312 1.00 2.73 C ATOM 284 SG CYS A 20 -31.899 1.707 -0.026 1.00 2.75 S ATOM 0 H CYS A 20 -32.227 -2.526 -0.590 1.00 3.03 H new ATOM 0 HA CYS A 20 -33.851 -0.422 0.423 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -31.333 -0.558 0.509 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -31.299 -0.280 -1.221 1.00 2.73 H new ATOM 0 HG CYS A 20 -31.669 2.330 -1.144 1.00 2.75 H new ATOM 290 N ARG A 21 -33.496 -0.802 -2.847 1.00 3.24 N ATOM 291 CA ARG A 21 -34.129 -0.480 -4.131 1.00 3.55 C ATOM 292 C ARG A 21 -35.644 -0.674 -4.036 1.00 3.89 C ATOM 293 O ARG A 21 -36.426 0.202 -4.420 1.00 4.07 O ATOM 294 CB ARG A 21 -33.520 -1.335 -5.258 1.00 3.75 C ATOM 295 CG ARG A 21 -34.437 -1.546 -6.456 1.00 4.17 C ATOM 296 CD ARG A 21 -33.676 -2.051 -7.673 1.00 4.74 C ATOM 297 NE ARG A 21 -34.580 -2.506 -8.731 1.00 5.08 N ATOM 298 CZ ARG A 21 -34.337 -2.371 -10.035 1.00 5.56 C ATOM 299 NH1 ARG A 21 -33.288 -1.676 -10.454 1.00 5.80 N ATOM 300 NH2 ARG A 21 -35.172 -2.892 -10.925 1.00 6.10 N ATOM 0 H ARG A 21 -32.748 -1.493 -2.902 1.00 3.24 H new ATOM 0 HA ARG A 21 -33.940 0.567 -4.369 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -32.600 -0.861 -5.600 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -33.245 -2.308 -4.851 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -35.217 -2.260 -6.194 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -34.934 -0.608 -6.702 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -33.038 -1.256 -8.058 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -33.021 -2.871 -7.377 1.00 4.74 H new ATOM 0 HE ARG A 21 -35.452 -2.955 -8.452 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -32.661 -1.241 -9.777 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -33.108 -1.577 -11.453 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -36.001 -3.397 -10.612 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -34.985 -2.788 -11.922 1.00 6.10 H new ATOM 314 N LYS A 22 -36.042 -1.804 -3.469 1.00 4.03 N ATOM 315 CA LYS A 22 -37.449 -2.107 -3.247 1.00 4.43 C ATOM 316 C LYS A 22 -38.030 -1.213 -2.143 1.00 4.38 C ATOM 317 O LYS A 22 -39.232 -0.937 -2.117 1.00 4.73 O ATOM 318 CB LYS A 22 -37.598 -3.592 -2.896 1.00 4.63 C ATOM 319 CG LYS A 22 -37.326 -4.514 -4.081 1.00 4.60 C ATOM 320 CD LYS A 22 -37.146 -5.972 -3.668 1.00 4.73 C ATOM 321 CE LYS A 22 -35.753 -6.231 -3.102 1.00 4.49 C ATOM 322 NZ LYS A 22 -35.498 -7.682 -2.885 1.00 4.77 N ATOM 0 H LYS A 22 -35.403 -2.533 -3.151 1.00 4.03 H new ATOM 0 HA LYS A 22 -38.011 -1.903 -4.159 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -36.912 -3.839 -2.086 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -38.607 -3.773 -2.526 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -38.152 -4.441 -4.789 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -36.430 -4.175 -4.601 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -37.896 -6.234 -2.922 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -37.314 -6.618 -4.530 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -35.004 -5.830 -3.785 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -35.641 -5.698 -2.158 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -34.541 -7.812 -2.500 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -36.196 -8.060 -2.213 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -35.579 -8.188 -3.790 1.00 4.77 H new ATOM 336 N ALA A 23 -37.164 -0.755 -1.248 1.00 4.00 N ATOM 337 CA ALA A 23 -37.560 0.138 -0.164 1.00 4.00 C ATOM 338 C ALA A 23 -37.821 1.545 -0.686 1.00 4.05 C ATOM 339 O ALA A 23 -38.806 2.178 -0.319 1.00 4.34 O ATOM 340 CB ALA A 23 -36.484 0.174 0.908 1.00 3.66 C ATOM 0 H ALA A 23 -36.171 -0.990 -1.252 1.00 4.00 H new ATOM 0 HA ALA A 23 -38.483 -0.245 0.270 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -36.792 0.844 1.711 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -36.336 -0.829 1.309 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -35.550 0.533 0.475 1.00 3.66 H new ATOM 346 N VAL A 24 -36.923 2.028 -1.538 1.00 3.82 N ATOM 347 CA VAL A 24 -37.075 3.327 -2.183 1.00 3.90 C ATOM 348 C VAL A 24 -38.426 3.406 -2.880 1.00 4.37 C ATOM 349 O VAL A 24 -39.172 4.373 -2.712 1.00 4.58 O ATOM 350 CB VAL A 24 -35.944 3.571 -3.213 1.00 3.69 C ATOM 351 CG1 VAL A 24 -36.154 4.870 -3.968 1.00 3.86 C ATOM 352 CG2 VAL A 24 -34.587 3.579 -2.533 1.00 3.33 C ATOM 0 H VAL A 24 -36.071 1.531 -1.800 1.00 3.82 H new ATOM 0 HA VAL A 24 -37.015 4.097 -1.414 1.00 3.90 H new ATOM 0 HB VAL A 24 -35.974 2.751 -3.930 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -35.343 5.011 -4.682 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -37.104 4.832 -4.501 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -36.166 5.702 -3.264 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -33.809 3.752 -3.276 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -34.559 4.373 -1.786 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -34.418 2.618 -2.047 1.00 3.33 H new ATOM 362 N TYR A 25 -38.741 2.360 -3.637 1.00 4.58 N ATOM 363 CA TYR A 25 -40.041 2.239 -4.283 1.00 5.10 C ATOM 364 C TYR A 25 -41.172 2.329 -3.251 1.00 5.36 C ATOM 365 O TYR A 25 -42.145 3.056 -3.449 1.00 5.71 O ATOM 366 CB TYR A 25 -40.112 0.912 -5.045 1.00 5.32 C ATOM 367 CG TYR A 25 -41.434 0.659 -5.731 1.00 5.87 C ATOM 368 CD1 TYR A 25 -41.803 1.387 -6.854 1.00 6.18 C ATOM 369 CD2 TYR A 25 -42.317 -0.299 -5.250 1.00 6.12 C ATOM 370 CE1 TYR A 25 -43.015 1.166 -7.478 1.00 6.71 C ATOM 371 CE2 TYR A 25 -43.530 -0.523 -5.869 1.00 6.65 C ATOM 372 CZ TYR A 25 -43.856 0.172 -7.002 1.00 6.94 C ATOM 373 OH TYR A 25 -45.082 -0.003 -7.603 1.00 7.48 O ATOM 0 H TYR A 25 -38.109 1.580 -3.818 1.00 4.58 H new ATOM 0 HA TYR A 25 -40.164 3.062 -4.986 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -39.319 0.893 -5.792 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -39.915 0.096 -4.350 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -41.132 2.137 -7.246 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -42.050 -0.878 -4.378 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -43.305 1.763 -8.330 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -44.221 -1.245 -5.460 1.00 6.65 H new ATOM 0 HH TYR A 25 -45.560 -0.737 -7.163 1.00 7.48 H new ATOM 383 N PHE A 26 -41.020 1.608 -2.141 1.00 5.24 N ATOM 384 CA PHE A 26 -42.037 1.588 -1.086 1.00 5.55 C ATOM 385 C PHE A 26 -42.176 2.956 -0.411 1.00 5.56 C ATOM 386 O PHE A 26 -43.287 3.398 -0.115 1.00 5.98 O ATOM 387 CB PHE A 26 -41.699 0.519 -0.041 1.00 5.42 C ATOM 388 CG PHE A 26 -42.680 0.455 1.097 1.00 5.81 C ATOM 389 CD1 PHE A 26 -43.898 -0.187 0.941 1.00 6.32 C ATOM 390 CD2 PHE A 26 -42.383 1.035 2.320 1.00 5.81 C ATOM 391 CE1 PHE A 26 -44.803 -0.248 1.984 1.00 6.79 C ATOM 392 CE2 PHE A 26 -43.285 0.974 3.365 1.00 6.37 C ATOM 393 CZ PHE A 26 -44.491 0.342 3.202 1.00 6.84 C ATOM 0 H PHE A 26 -40.203 1.029 -1.947 1.00 5.24 H new ATOM 0 HA PHE A 26 -42.992 1.345 -1.553 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -41.659 -0.454 -0.530 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -40.704 0.716 0.359 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -44.143 -0.645 -0.006 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -41.438 1.539 2.458 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -45.749 -0.752 1.852 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -43.039 1.426 4.314 1.00 6.37 H new ATOM 0 HZ PHE A 26 -45.197 0.303 4.019 1.00 6.84 H new ATOM 403 N THR A 27 -41.053 3.630 -0.175 1.00 5.14 N ATOM 404 CA THR A 27 -41.072 4.938 0.478 1.00 5.20 C ATOM 405 C THR A 27 -41.726 5.997 -0.408 1.00 5.47 C ATOM 406 O THR A 27 -42.028 7.101 0.046 1.00 5.71 O ATOM 407 CB THR A 27 -39.658 5.417 0.869 1.00 4.75 C ATOM 408 OG1 THR A 27 -38.810 5.488 -0.285 1.00 4.44 O ATOM 409 CG2 THR A 27 -39.037 4.495 1.908 1.00 4.59 C ATOM 0 H THR A 27 -40.122 3.295 -0.424 1.00 5.14 H new ATOM 0 HA THR A 27 -41.661 4.810 1.386 1.00 5.20 H new ATOM 0 HB THR A 27 -39.754 6.413 1.300 1.00 4.75 H new ATOM 0 HG1 THR A 27 -39.220 4.991 -1.023 1.00 4.44 H new ATOM 0 HG21 THR A 27 -38.041 4.856 2.166 1.00 4.59 H new ATOM 0 HG22 THR A 27 -39.661 4.482 2.802 1.00 4.59 H new ATOM 0 HG23 THR A 27 -38.964 3.486 1.502 1.00 4.59 H new ATOM 417 N GLY A 28 -41.942 5.653 -1.673 1.00 5.48 N ATOM 418 CA GLY A 28 -42.508 6.595 -2.613 1.00 5.75 C ATOM 419 C GLY A 28 -41.457 7.516 -3.182 1.00 5.44 C ATOM 420 O GLY A 28 -41.765 8.637 -3.593 1.00 5.64 O ATOM 0 H GLY A 28 -41.733 4.734 -2.063 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -42.994 6.052 -3.424 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -43.279 7.185 -2.117 1.00 5.75 H new ATOM 424 N ASN A 29 -40.213 7.030 -3.202 1.00 5.01 N ATOM 425 CA ASN A 29 -39.071 7.801 -3.689 1.00 4.73 C ATOM 426 C ASN A 29 -38.886 9.065 -2.849 1.00 4.74 C ATOM 427 O ASN A 29 -38.968 10.182 -3.354 1.00 4.97 O ATOM 428 CB ASN A 29 -39.252 8.160 -5.170 1.00 4.95 C ATOM 429 CG ASN A 29 -39.406 6.936 -6.055 1.00 4.86 C ATOM 430 OD1 ASN A 29 -38.831 5.881 -5.789 1.00 4.99 O ATOM 431 ND2 ASN A 29 -40.199 7.066 -7.109 1.00 5.06 N ATOM 0 H ASN A 29 -39.972 6.092 -2.881 1.00 5.01 H new ATOM 0 HA ASN A 29 -38.175 7.187 -3.594 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -40.130 8.796 -5.281 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -38.393 8.741 -5.506 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -40.351 6.274 -7.734 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -40.658 7.958 -7.295 1.00 5.06 H new ATOM 438 N MET A 30 -38.651 8.874 -1.554 1.00 4.58 N ATOM 439 CA MET A 30 -38.506 9.995 -0.629 1.00 4.71 C ATOM 440 C MET A 30 -37.076 10.520 -0.582 1.00 4.46 C ATOM 441 O MET A 30 -36.858 11.716 -0.402 1.00 4.65 O ATOM 442 CB MET A 30 -38.957 9.594 0.775 1.00 4.89 C ATOM 443 CG MET A 30 -40.464 9.610 0.958 1.00 5.35 C ATOM 444 SD MET A 30 -41.169 11.261 0.765 1.00 5.80 S ATOM 445 CE MET A 30 -42.913 10.901 0.970 1.00 6.28 C ATOM 0 H MET A 30 -38.557 7.955 -1.121 1.00 4.58 H new ATOM 0 HA MET A 30 -39.143 10.798 -1.000 1.00 4.71 H new ATOM 0 HB2 MET A 30 -38.583 8.594 0.996 1.00 4.89 H new ATOM 0 HB3 MET A 30 -38.504 10.271 1.500 1.00 4.89 H new ATOM 0 HG2 MET A 30 -40.922 8.937 0.233 1.00 5.35 H new ATOM 0 HG3 MET A 30 -40.710 9.227 1.948 1.00 5.35 H new ATOM 0 HE1 MET A 30 -43.488 11.822 0.878 1.00 6.28 H new ATOM 0 HE2 MET A 30 -43.232 10.196 0.202 1.00 6.28 H new ATOM 0 HE3 MET A 30 -43.081 10.465 1.955 1.00 6.28 H new ATOM 455 N GLY A 31 -36.102 9.634 -0.726 1.00 4.17 N ATOM 456 CA GLY A 31 -34.722 10.068 -0.702 1.00 4.03 C ATOM 457 C GLY A 31 -33.782 9.004 -0.180 1.00 3.77 C ATOM 458 O GLY A 31 -34.223 7.978 0.345 1.00 3.68 O ATOM 0 H GLY A 31 -36.240 8.632 -0.858 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -34.418 10.353 -1.709 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -34.637 10.959 -0.080 1.00 4.03 H new ATOM 462 N ALA A 32 -32.485 9.263 -0.317 1.00 3.73 N ATOM 463 CA ALA A 32 -31.455 8.318 0.067 1.00 3.58 C ATOM 464 C ALA A 32 -31.479 8.015 1.561 1.00 3.72 C ATOM 465 O ALA A 32 -31.629 6.862 1.964 1.00 3.56 O ATOM 466 CB ALA A 32 -30.101 8.864 -0.341 1.00 3.73 C ATOM 0 H ALA A 32 -32.123 10.137 -0.699 1.00 3.73 H new ATOM 0 HA ALA A 32 -31.648 7.377 -0.449 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -29.322 8.157 -0.055 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -30.078 9.011 -1.421 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -29.927 9.817 0.159 1.00 3.73 H new ATOM 472 N GLU A 33 -31.330 9.052 2.375 1.00 4.10 N ATOM 473 CA GLU A 33 -31.309 8.897 3.826 1.00 4.38 C ATOM 474 C GLU A 33 -32.597 8.254 4.327 1.00 4.28 C ATOM 475 O GLU A 33 -32.594 7.522 5.317 1.00 4.30 O ATOM 476 CB GLU A 33 -31.108 10.250 4.514 1.00 4.91 C ATOM 477 CG GLU A 33 -29.869 11.008 4.054 1.00 5.11 C ATOM 478 CD GLU A 33 -30.132 11.904 2.857 1.00 5.12 C ATOM 479 OE1 GLU A 33 -30.274 11.388 1.730 1.00 5.09 O ATOM 480 OE2 GLU A 33 -30.209 13.135 3.040 1.00 5.46 O ATOM 0 H GLU A 33 -31.221 10.014 2.054 1.00 4.10 H new ATOM 0 HA GLU A 33 -30.472 8.244 4.074 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -31.986 10.870 4.335 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -31.044 10.091 5.590 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -29.493 11.614 4.879 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -29.086 10.293 3.801 1.00 5.11 H new ATOM 487 N VAL A 34 -33.690 8.516 3.625 1.00 4.27 N ATOM 488 CA VAL A 34 -34.982 7.945 3.980 1.00 4.34 C ATOM 489 C VAL A 34 -34.968 6.427 3.802 1.00 4.01 C ATOM 490 O VAL A 34 -35.425 5.685 4.671 1.00 4.11 O ATOM 491 CB VAL A 34 -36.118 8.558 3.134 1.00 4.54 C ATOM 492 CG1 VAL A 34 -37.466 7.948 3.502 1.00 4.83 C ATOM 493 CG2 VAL A 34 -36.148 10.071 3.303 1.00 4.88 C ATOM 0 H VAL A 34 -33.708 9.122 2.804 1.00 4.27 H new ATOM 0 HA VAL A 34 -35.167 8.180 5.028 1.00 4.34 H new ATOM 0 HB VAL A 34 -35.923 8.330 2.086 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -38.248 8.398 2.891 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -37.440 6.873 3.324 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -37.675 8.136 4.555 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -36.954 10.489 2.700 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -36.314 10.317 4.352 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -35.197 10.492 2.978 1.00 4.88 H new ATOM 503 N ALA A 35 -34.427 5.965 2.681 1.00 3.68 N ATOM 504 CA ALA A 35 -34.354 4.536 2.420 1.00 3.42 C ATOM 505 C ALA A 35 -33.217 3.887 3.206 1.00 3.28 C ATOM 506 O ALA A 35 -33.268 2.695 3.511 1.00 3.21 O ATOM 507 CB ALA A 35 -34.219 4.257 0.938 1.00 3.22 C ATOM 0 H ALA A 35 -34.036 6.554 1.946 1.00 3.68 H new ATOM 0 HA ALA A 35 -35.289 4.091 2.760 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -34.167 3.181 0.774 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -35.083 4.663 0.411 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -33.310 4.726 0.561 1.00 3.22 H new ATOM 513 N PHE A 36 -32.184 4.672 3.517 1.00 3.36 N ATOM 514 CA PHE A 36 -31.145 4.236 4.447 1.00 3.45 C ATOM 515 C PHE A 36 -31.797 3.857 5.773 1.00 3.68 C ATOM 516 O PHE A 36 -31.488 2.827 6.371 1.00 3.69 O ATOM 517 CB PHE A 36 -30.115 5.354 4.662 1.00 3.70 C ATOM 518 CG PHE A 36 -29.144 5.082 5.783 1.00 3.98 C ATOM 519 CD1 PHE A 36 -28.112 4.172 5.615 1.00 3.93 C ATOM 520 CD2 PHE A 36 -29.265 5.735 6.999 1.00 4.38 C ATOM 521 CE1 PHE A 36 -27.218 3.920 6.640 1.00 4.29 C ATOM 522 CE2 PHE A 36 -28.374 5.486 8.027 1.00 4.71 C ATOM 523 CZ PHE A 36 -27.356 4.586 7.852 1.00 4.66 C ATOM 0 H PHE A 36 -32.046 5.609 3.139 1.00 3.36 H new ATOM 0 HA PHE A 36 -30.626 3.372 4.033 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -29.556 5.502 3.738 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -30.642 6.285 4.869 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -28.005 3.654 4.673 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -30.064 6.446 7.146 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -26.417 3.209 6.499 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -28.481 6.002 8.970 1.00 4.71 H new ATOM 0 HZ PHE A 36 -26.661 4.394 8.656 1.00 4.66 H new ATOM 533 N ASN A 37 -32.726 4.702 6.205 1.00 3.94 N ATOM 534 CA ASN A 37 -33.494 4.465 7.417 1.00 4.25 C ATOM 535 C ASN A 37 -34.336 3.200 7.271 1.00 4.16 C ATOM 536 O ASN A 37 -34.389 2.369 8.172 1.00 4.35 O ATOM 537 CB ASN A 37 -34.400 5.670 7.695 1.00 4.57 C ATOM 538 CG ASN A 37 -34.964 5.695 9.107 1.00 5.25 C ATOM 539 OD1 ASN A 37 -35.129 4.665 9.759 1.00 5.69 O ATOM 540 ND2 ASN A 37 -35.277 6.884 9.591 1.00 5.66 N ATOM 0 H ASN A 37 -32.966 5.569 5.724 1.00 3.94 H new ATOM 0 HA ASN A 37 -32.807 4.330 8.253 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -33.835 6.586 7.522 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -35.225 5.665 6.983 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -35.667 6.966 10.530 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -35.128 7.720 9.026 1.00 5.66 H new ATOM 547 N TRP A 38 -34.972 3.042 6.119 1.00 3.97 N ATOM 548 CA TRP A 38 -35.840 1.895 5.898 1.00 4.01 C ATOM 549 C TRP A 38 -35.040 0.595 5.896 1.00 3.81 C ATOM 550 O TRP A 38 -35.549 -0.458 6.286 1.00 4.02 O ATOM 551 CB TRP A 38 -36.620 2.028 4.583 1.00 3.96 C ATOM 552 CG TRP A 38 -37.863 1.186 4.562 1.00 4.29 C ATOM 553 CD1 TRP A 38 -38.202 0.237 3.641 1.00 4.58 C ATOM 554 CD2 TRP A 38 -38.920 1.198 5.530 1.00 4.67 C ATOM 555 NE1 TRP A 38 -39.408 -0.330 3.967 1.00 4.88 N ATOM 556 CE2 TRP A 38 -39.870 0.242 5.120 1.00 4.93 C ATOM 557 CE3 TRP A 38 -39.162 1.928 6.696 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -41.036 -0.004 5.840 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -40.320 1.684 7.409 1.00 5.81 C ATOM 560 CH2 TRP A 38 -41.244 0.725 6.978 1.00 5.87 C ATOM 0 H TRP A 38 -34.905 3.686 5.331 1.00 3.97 H new ATOM 0 HA TRP A 38 -36.554 1.868 6.721 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -36.890 3.073 4.429 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -35.976 1.740 3.752 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -37.607 -0.029 2.780 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -39.883 -1.060 3.436 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -38.455 2.671 7.035 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -41.751 -0.744 5.511 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -40.515 2.242 8.313 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -42.140 0.557 7.557 1.00 5.87 H new ATOM 571 N ILE A 39 -33.782 0.665 5.472 1.00 3.49 N ATOM 572 CA ILE A 39 -32.953 -0.526 5.388 1.00 3.34 C ATOM 573 C ILE A 39 -32.474 -0.955 6.772 1.00 3.60 C ATOM 574 O ILE A 39 -32.409 -2.145 7.067 1.00 3.69 O ATOM 575 CB ILE A 39 -31.750 -0.333 4.424 1.00 3.04 C ATOM 576 CG1 ILE A 39 -31.442 -1.649 3.713 1.00 2.98 C ATOM 577 CG2 ILE A 39 -30.503 0.171 5.146 1.00 3.21 C ATOM 578 CD1 ILE A 39 -32.616 -2.199 2.937 1.00 3.10 C ATOM 0 H ILE A 39 -33.320 1.528 5.184 1.00 3.49 H new ATOM 0 HA ILE A 39 -33.574 -1.321 4.975 1.00 3.34 H new ATOM 0 HB ILE A 39 -32.033 0.427 3.696 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -30.604 -1.499 3.032 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -31.125 -2.387 4.450 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -29.691 0.290 4.429 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -30.717 1.132 5.614 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -30.210 -0.548 5.911 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -32.329 -3.134 2.457 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -33.448 -2.381 3.617 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -32.919 -1.479 2.177 1.00 3.10 H new ATOM 590 N ILE A 40 -32.156 0.009 7.629 1.00 3.82 N ATOM 591 CA ILE A 40 -31.737 -0.312 8.986 1.00 4.18 C ATOM 592 C ILE A 40 -32.925 -0.813 9.805 1.00 4.46 C ATOM 593 O ILE A 40 -32.766 -1.504 10.808 1.00 4.72 O ATOM 594 CB ILE A 40 -31.021 0.879 9.668 1.00 4.46 C ATOM 595 CG1 ILE A 40 -31.914 2.117 9.792 1.00 4.61 C ATOM 596 CG2 ILE A 40 -29.755 1.220 8.893 1.00 4.32 C ATOM 597 CD1 ILE A 40 -32.781 2.125 11.032 1.00 5.04 C ATOM 0 H ILE A 40 -32.180 1.005 7.412 1.00 3.82 H new ATOM 0 HA ILE A 40 -31.004 -1.117 8.932 1.00 4.18 H new ATOM 0 HB ILE A 40 -30.770 0.572 10.683 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -31.286 3.008 9.794 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -32.554 2.181 8.912 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -29.250 2.059 9.372 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -29.092 0.355 8.881 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -30.016 1.491 7.870 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -33.384 3.033 11.048 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -33.436 1.254 11.023 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -32.148 2.094 11.919 1.00 5.04 H new ATOM 609 N VAL A 41 -34.118 -0.457 9.358 1.00 4.47 N ATOM 610 CA VAL A 41 -35.339 -1.032 9.899 1.00 4.80 C ATOM 611 C VAL A 41 -35.512 -2.463 9.392 1.00 4.72 C ATOM 612 O VAL A 41 -35.689 -3.396 10.174 1.00 5.04 O ATOM 613 CB VAL A 41 -36.583 -0.197 9.519 1.00 4.99 C ATOM 614 CG1 VAL A 41 -37.862 -0.893 9.963 1.00 5.34 C ATOM 615 CG2 VAL A 41 -36.499 1.193 10.132 1.00 5.37 C ATOM 0 H VAL A 41 -34.267 0.230 8.619 1.00 4.47 H new ATOM 0 HA VAL A 41 -35.249 -1.031 10.985 1.00 4.80 H new ATOM 0 HB VAL A 41 -36.606 -0.100 8.434 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -38.723 -0.285 9.684 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -37.933 -1.867 9.479 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -37.847 -1.026 11.045 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -37.383 1.767 9.854 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -36.447 1.109 11.218 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -35.607 1.700 9.764 1.00 5.37 H new ATOM 625 N HIS A 42 -35.412 -2.638 8.076 1.00 4.36 N ATOM 626 CA HIS A 42 -35.609 -3.947 7.459 1.00 4.38 C ATOM 627 C HIS A 42 -34.333 -4.781 7.458 1.00 4.19 C ATOM 628 O HIS A 42 -34.251 -5.785 6.758 1.00 4.21 O ATOM 629 CB HIS A 42 -36.157 -3.810 6.035 1.00 4.29 C ATOM 630 CG HIS A 42 -37.654 -3.871 5.969 1.00 4.59 C ATOM 631 ND1 HIS A 42 -38.337 -4.853 5.284 1.00 4.88 N ATOM 632 CD2 HIS A 42 -38.603 -3.075 6.520 1.00 5.00 C ATOM 633 CE1 HIS A 42 -39.636 -4.659 5.415 1.00 5.32 C ATOM 634 NE2 HIS A 42 -39.829 -3.586 6.163 1.00 5.35 N ATOM 0 H HIS A 42 -35.196 -1.890 7.417 1.00 4.36 H new ATOM 0 HA HIS A 42 -36.345 -4.473 8.067 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -35.820 -2.864 5.612 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -35.740 -4.603 5.414 1.00 4.29 H new ATOM 0 HD2 HIS A 42 -38.428 -2.200 7.128 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -40.412 -5.274 4.983 1.00 5.32 H new ATOM 0 HE2 HIS A 42 -40.735 -3.202 6.430 1.00 5.35 H new ATOM 643 N MET A 43 -33.340 -4.370 8.243 1.00 4.14 N ATOM 644 CA MET A 43 -32.165 -5.209 8.482 1.00 4.14 C ATOM 645 C MET A 43 -32.594 -6.490 9.188 1.00 4.46 C ATOM 646 O MET A 43 -31.864 -7.485 9.200 1.00 4.53 O ATOM 647 CB MET A 43 -31.095 -4.480 9.306 1.00 4.26 C ATOM 648 CG MET A 43 -31.469 -4.256 10.761 1.00 4.64 C ATOM 649 SD MET A 43 -30.098 -3.589 11.726 1.00 4.92 S ATOM 650 CE MET A 43 -30.891 -3.360 13.316 1.00 5.73 C ATOM 0 H MET A 43 -33.323 -3.469 8.721 1.00 4.14 H new ATOM 0 HA MET A 43 -31.719 -5.449 7.517 1.00 4.14 H new ATOM 0 HB2 MET A 43 -30.169 -5.054 9.266 1.00 4.26 H new ATOM 0 HB3 MET A 43 -30.892 -3.514 8.843 1.00 4.26 H new ATOM 0 HG2 MET A 43 -32.315 -3.571 10.815 1.00 4.64 H new ATOM 0 HG3 MET A 43 -31.794 -5.199 11.200 1.00 4.64 H new ATOM 0 HE1 MET A 43 -30.172 -2.952 14.026 1.00 5.73 H new ATOM 0 HE2 MET A 43 -31.727 -2.669 13.209 1.00 5.73 H new ATOM 0 HE3 MET A 43 -31.257 -4.319 13.682 1.00 5.73 H new ATOM 1066 N GLN A 76 17.056 -0.417 3.914 1.00 5.05 N ATOM 1067 CA GLN A 76 18.230 -1.004 3.283 1.00 4.93 C ATOM 1068 C GLN A 76 18.804 -0.060 2.222 1.00 4.67 C ATOM 1069 O GLN A 76 18.055 0.650 1.543 1.00 4.88 O ATOM 1070 CB GLN A 76 17.847 -2.349 2.654 1.00 5.47 C ATOM 1071 CG GLN A 76 19.022 -3.140 2.105 1.00 5.74 C ATOM 1072 CD GLN A 76 18.604 -4.444 1.457 1.00 6.61 C ATOM 1073 OE1 GLN A 76 19.354 -5.417 1.454 1.00 7.14 O ATOM 1074 NE2 GLN A 76 17.400 -4.473 0.909 1.00 7.04 N ATOM 0 HA GLN A 76 18.999 -1.165 4.039 1.00 4.93 H new ATOM 0 HB2 GLN A 76 17.335 -2.954 3.402 1.00 5.47 H new ATOM 0 HB3 GLN A 76 17.136 -2.170 1.847 1.00 5.47 H new ATOM 0 HG2 GLN A 76 19.554 -2.531 1.374 1.00 5.74 H new ATOM 0 HG3 GLN A 76 19.722 -3.350 2.914 1.00 5.74 H new ATOM 0 HE21 GLN A 76 16.808 -3.642 0.933 1.00 7.04 H new ATOM 0 HE22 GLN A 76 17.063 -5.326 0.462 1.00 7.04 H new ATOM 1083 N PRO A 77 20.148 -0.019 2.094 1.00 4.45 N ATOM 1084 CA PRO A 77 20.840 0.768 1.069 1.00 4.52 C ATOM 1085 C PRO A 77 20.301 0.514 -0.337 1.00 5.11 C ATOM 1086 O PRO A 77 19.609 -0.472 -0.579 1.00 5.41 O ATOM 1087 CB PRO A 77 22.279 0.268 1.166 1.00 4.27 C ATOM 1088 CG PRO A 77 22.431 -0.155 2.569 1.00 4.17 C ATOM 1089 CD PRO A 77 21.104 -0.729 2.964 1.00 4.44 C ATOM 0 HA PRO A 77 20.718 1.839 1.233 1.00 4.52 H new ATOM 0 HB2 PRO A 77 22.458 -0.560 0.480 1.00 4.27 H new ATOM 0 HB3 PRO A 77 22.990 1.053 0.909 1.00 4.27 H new ATOM 0 HG2 PRO A 77 23.224 -0.896 2.671 1.00 4.17 H new ATOM 0 HG3 PRO A 77 22.698 0.688 3.206 1.00 4.17 H new ATOM 0 HD2 PRO A 77 21.069 -1.806 2.803 1.00 4.44 H new ATOM 0 HD3 PRO A 77 20.891 -0.557 4.019 1.00 4.44 H new ATOM 1097 N PRO A 78 20.645 1.395 -1.289 1.00 5.63 N ATOM 1098 CA PRO A 78 20.180 1.280 -2.669 1.00 6.52 C ATOM 1099 C PRO A 78 20.704 0.009 -3.316 1.00 6.80 C ATOM 1100 O PRO A 78 21.910 -0.137 -3.526 1.00 6.74 O ATOM 1101 CB PRO A 78 20.767 2.527 -3.347 1.00 7.14 C ATOM 1102 CG PRO A 78 21.941 2.882 -2.508 1.00 6.55 C ATOM 1103 CD PRO A 78 21.544 2.548 -1.110 1.00 5.69 C ATOM 0 HA PRO A 78 19.094 1.224 -2.749 1.00 6.52 H new ATOM 0 HB2 PRO A 78 21.061 2.319 -4.376 1.00 7.14 H new ATOM 0 HB3 PRO A 78 20.042 3.340 -3.381 1.00 7.14 H new ATOM 0 HG2 PRO A 78 22.824 2.320 -2.810 1.00 6.55 H new ATOM 0 HG3 PRO A 78 22.188 3.939 -2.604 1.00 6.55 H new ATOM 0 HD2 PRO A 78 22.407 2.295 -0.494 1.00 5.69 H new ATOM 0 HD3 PRO A 78 21.039 3.382 -0.623 1.00 5.69 H new ATOM 1111 N GLU A 79 19.792 -0.914 -3.605 1.00 7.24 N ATOM 1112 CA GLU A 79 20.142 -2.184 -4.215 1.00 7.85 C ATOM 1113 C GLU A 79 20.897 -1.955 -5.511 1.00 8.62 C ATOM 1114 O GLU A 79 21.742 -2.756 -5.894 1.00 8.98 O ATOM 1115 CB GLU A 79 18.892 -3.009 -4.488 1.00 8.51 C ATOM 1116 CG GLU A 79 18.012 -2.413 -5.564 1.00 9.18 C ATOM 1117 CD GLU A 79 16.764 -3.230 -5.819 1.00 9.68 C ATOM 1118 OE1 GLU A 79 16.833 -4.214 -6.585 1.00 10.13 O ATOM 1119 OE2 GLU A 79 15.705 -2.885 -5.251 1.00 9.76 O ATOM 0 H GLU A 79 18.795 -0.800 -3.422 1.00 7.24 H new ATOM 0 HA GLU A 79 20.780 -2.731 -3.521 1.00 7.85 H new ATOM 0 HB2 GLU A 79 19.186 -4.016 -4.784 1.00 8.51 H new ATOM 0 HB3 GLU A 79 18.317 -3.102 -3.567 1.00 8.51 H new ATOM 0 HG2 GLU A 79 17.726 -1.402 -5.275 1.00 9.18 H new ATOM 0 HG3 GLU A 79 18.582 -2.330 -6.489 1.00 9.18 H new ATOM 1126 N GLU A 80 20.579 -0.852 -6.170 1.00 9.00 N ATOM 1127 CA GLU A 80 21.289 -0.440 -7.359 1.00 9.80 C ATOM 1128 C GLU A 80 22.777 -0.322 -7.066 1.00 9.30 C ATOM 1129 O GLU A 80 23.607 -0.911 -7.756 1.00 9.74 O ATOM 1130 CB GLU A 80 20.727 0.895 -7.855 1.00 10.33 C ATOM 1131 CG GLU A 80 21.748 1.784 -8.540 1.00 10.80 C ATOM 1132 CD GLU A 80 21.178 3.133 -8.922 1.00 11.40 C ATOM 1133 OE1 GLU A 80 21.260 4.071 -8.105 1.00 11.78 O ATOM 1134 OE2 GLU A 80 20.661 3.264 -10.051 1.00 11.61 O ATOM 0 H GLU A 80 19.825 -0.224 -5.893 1.00 9.00 H new ATOM 0 HA GLU A 80 21.154 -1.189 -8.139 1.00 9.80 H new ATOM 0 HB2 GLU A 80 19.910 0.697 -8.549 1.00 10.33 H new ATOM 0 HB3 GLU A 80 20.302 1.434 -7.009 1.00 10.33 H new ATOM 0 HG2 GLU A 80 22.602 1.928 -7.878 1.00 10.80 H new ATOM 0 HG3 GLU A 80 22.119 1.283 -9.434 1.00 10.80 H new ATOM 1141 N ILE A 81 23.103 0.411 -6.014 1.00 8.42 N ATOM 1142 CA ILE A 81 24.487 0.671 -5.673 1.00 7.96 C ATOM 1143 C ILE A 81 25.146 -0.528 -5.028 1.00 7.34 C ATOM 1144 O ILE A 81 26.285 -0.852 -5.358 1.00 7.45 O ATOM 1145 CB ILE A 81 24.626 1.885 -4.748 1.00 7.44 C ATOM 1146 CG1 ILE A 81 24.230 3.160 -5.487 1.00 8.39 C ATOM 1147 CG2 ILE A 81 26.049 1.979 -4.233 1.00 6.94 C ATOM 1148 CD1 ILE A 81 24.268 4.399 -4.616 1.00 8.28 C ATOM 0 H ILE A 81 22.425 0.836 -5.382 1.00 8.42 H new ATOM 0 HA ILE A 81 24.995 0.884 -6.614 1.00 7.96 H new ATOM 0 HB ILE A 81 23.956 1.765 -3.896 1.00 7.44 H new ATOM 0 HG12 ILE A 81 24.899 3.301 -6.336 1.00 8.39 H new ATOM 0 HG13 ILE A 81 23.225 3.040 -5.890 1.00 8.39 H new ATOM 0 HG21 ILE A 81 26.142 2.844 -3.576 1.00 6.94 H new ATOM 0 HG22 ILE A 81 26.296 1.074 -3.678 1.00 6.94 H new ATOM 0 HG23 ILE A 81 26.734 2.087 -5.074 1.00 6.94 H new ATOM 0 HD11 ILE A 81 23.975 5.268 -5.206 1.00 8.28 H new ATOM 0 HD12 ILE A 81 23.578 4.278 -3.781 1.00 8.28 H new ATOM 0 HD13 ILE A 81 25.278 4.544 -4.234 1.00 8.28 H new ATOM 1160 N VAL A 82 24.443 -1.193 -4.118 1.00 6.83 N ATOM 1161 CA VAL A 82 24.993 -2.372 -3.477 1.00 6.55 C ATOM 1162 C VAL A 82 25.393 -3.369 -4.559 1.00 7.54 C ATOM 1163 O VAL A 82 26.426 -4.024 -4.465 1.00 7.57 O ATOM 1164 CB VAL A 82 24.009 -3.031 -2.479 1.00 6.32 C ATOM 1165 CG1 VAL A 82 23.490 -2.022 -1.469 1.00 5.50 C ATOM 1166 CG2 VAL A 82 22.859 -3.709 -3.194 1.00 7.25 C ATOM 0 H VAL A 82 23.504 -0.937 -3.813 1.00 6.83 H new ATOM 0 HA VAL A 82 25.860 -2.065 -2.892 1.00 6.55 H new ATOM 0 HB VAL A 82 24.565 -3.798 -1.940 1.00 6.32 H new ATOM 0 HG11 VAL A 82 22.802 -2.515 -0.783 1.00 5.50 H new ATOM 0 HG12 VAL A 82 24.327 -1.606 -0.908 1.00 5.50 H new ATOM 0 HG13 VAL A 82 22.969 -1.220 -1.991 1.00 5.50 H new ATOM 0 HG21 VAL A 82 22.190 -4.160 -2.461 1.00 7.25 H new ATOM 0 HG22 VAL A 82 22.311 -2.972 -3.781 1.00 7.25 H new ATOM 0 HG23 VAL A 82 23.248 -4.484 -3.855 1.00 7.25 H new ATOM 1176 N ALA A 83 24.560 -3.425 -5.601 1.00 8.43 N ATOM 1177 CA ALA A 83 24.799 -4.241 -6.781 1.00 9.53 C ATOM 1178 C ALA A 83 26.065 -3.802 -7.497 1.00 9.70 C ATOM 1179 O ALA A 83 26.898 -4.630 -7.864 1.00 10.09 O ATOM 1180 CB ALA A 83 23.610 -4.117 -7.710 1.00 10.39 C ATOM 0 H ALA A 83 23.690 -2.895 -5.644 1.00 8.43 H new ATOM 0 HA ALA A 83 24.929 -5.279 -6.476 1.00 9.53 H new ATOM 0 HB1 ALA A 83 23.778 -4.725 -8.599 1.00 10.39 H new ATOM 0 HB2 ALA A 83 22.711 -4.462 -7.199 1.00 10.39 H new ATOM 0 HB3 ALA A 83 23.484 -3.074 -8.002 1.00 10.39 H new ATOM 1186 N ILE A 84 26.203 -2.497 -7.694 1.00 9.53 N ATOM 1187 CA ILE A 84 27.378 -1.932 -8.341 1.00 9.80 C ATOM 1188 C ILE A 84 28.635 -2.260 -7.545 1.00 9.04 C ATOM 1189 O ILE A 84 29.666 -2.631 -8.105 1.00 9.43 O ATOM 1190 CB ILE A 84 27.238 -0.400 -8.482 1.00 9.84 C ATOM 1191 CG1 ILE A 84 26.093 -0.064 -9.439 1.00 10.78 C ATOM 1192 CG2 ILE A 84 28.541 0.215 -8.969 1.00 10.13 C ATOM 1193 CD1 ILE A 84 25.400 1.238 -9.126 1.00 10.71 C ATOM 0 H ILE A 84 25.508 -1.805 -7.412 1.00 9.53 H new ATOM 0 HA ILE A 84 27.461 -2.372 -9.335 1.00 9.80 H new ATOM 0 HB ILE A 84 27.010 0.021 -7.503 1.00 9.84 H new ATOM 0 HG12 ILE A 84 26.483 -0.022 -10.456 1.00 10.78 H new ATOM 0 HG13 ILE A 84 25.360 -0.871 -9.411 1.00 10.78 H new ATOM 0 HG21 ILE A 84 28.422 1.294 -9.062 1.00 10.13 H new ATOM 0 HG22 ILE A 84 29.335 -0.002 -8.255 1.00 10.13 H new ATOM 0 HG23 ILE A 84 28.801 -0.206 -9.940 1.00 10.13 H new ATOM 0 HD11 ILE A 84 24.601 1.407 -9.847 1.00 10.71 H new ATOM 0 HD12 ILE A 84 24.979 1.194 -8.122 1.00 10.71 H new ATOM 0 HD13 ILE A 84 26.119 2.056 -9.183 1.00 10.71 H new ATOM 1205 N ILE A 85 28.527 -2.151 -6.233 1.00 8.01 N ATOM 1206 CA ILE A 85 29.647 -2.394 -5.348 1.00 7.27 C ATOM 1207 C ILE A 85 30.090 -3.851 -5.394 1.00 7.66 C ATOM 1208 O ILE A 85 31.280 -4.142 -5.518 1.00 7.73 O ATOM 1209 CB ILE A 85 29.291 -2.008 -3.911 1.00 6.22 C ATOM 1210 CG1 ILE A 85 28.936 -0.526 -3.852 1.00 6.07 C ATOM 1211 CG2 ILE A 85 30.438 -2.332 -2.973 1.00 5.61 C ATOM 1212 CD1 ILE A 85 28.391 -0.075 -2.516 1.00 5.25 C ATOM 0 H ILE A 85 27.664 -1.893 -5.755 1.00 8.01 H new ATOM 0 HA ILE A 85 30.474 -1.774 -5.693 1.00 7.27 H new ATOM 0 HB ILE A 85 28.426 -2.587 -3.588 1.00 6.22 H new ATOM 0 HG12 ILE A 85 29.825 0.059 -4.086 1.00 6.07 H new ATOM 0 HG13 ILE A 85 28.199 -0.309 -4.625 1.00 6.07 H new ATOM 0 HG21 ILE A 85 30.167 -2.051 -1.956 1.00 5.61 H new ATOM 0 HG22 ILE A 85 30.648 -3.401 -3.010 1.00 5.61 H new ATOM 0 HG23 ILE A 85 31.325 -1.778 -3.278 1.00 5.61 H new ATOM 0 HD11 ILE A 85 28.163 0.990 -2.557 1.00 5.25 H new ATOM 0 HD12 ILE A 85 27.482 -0.632 -2.287 1.00 5.25 H new ATOM 0 HD13 ILE A 85 29.134 -0.258 -1.740 1.00 5.25 H new ATOM 1224 N THR A 86 29.139 -4.771 -5.301 1.00 8.07 N ATOM 1225 CA THR A 86 29.477 -6.185 -5.391 1.00 8.77 C ATOM 1226 C THR A 86 29.897 -6.547 -6.818 1.00 9.82 C ATOM 1227 O THR A 86 30.628 -7.512 -7.033 1.00 10.38 O ATOM 1228 CB THR A 86 28.345 -7.118 -4.872 1.00 9.14 C ATOM 1229 OG1 THR A 86 28.590 -8.476 -5.247 1.00 10.16 O ATOM 1230 CG2 THR A 86 26.975 -6.699 -5.362 1.00 9.36 C ATOM 0 H THR A 86 28.148 -4.570 -5.166 1.00 8.07 H new ATOM 0 HA THR A 86 30.325 -6.352 -4.727 1.00 8.77 H new ATOM 0 HB THR A 86 28.352 -7.031 -3.785 1.00 9.14 H new ATOM 0 HG1 THR A 86 29.471 -8.752 -4.919 1.00 10.16 H new ATOM 0 HG21 THR A 86 26.223 -7.384 -4.970 1.00 9.36 H new ATOM 0 HG22 THR A 86 26.759 -5.688 -5.018 1.00 9.36 H new ATOM 0 HG23 THR A 86 26.955 -6.723 -6.452 1.00 9.36 H new ATOM 1238 N SER A 87 29.475 -5.734 -7.785 1.00 10.16 N ATOM 1239 CA SER A 87 29.905 -5.894 -9.166 1.00 11.17 C ATOM 1240 C SER A 87 31.344 -5.391 -9.330 1.00 10.93 C ATOM 1241 O SER A 87 32.033 -5.744 -10.286 1.00 11.68 O ATOM 1242 CB SER A 87 28.957 -5.135 -10.105 1.00 11.77 C ATOM 1243 OG SER A 87 29.188 -5.468 -11.464 1.00 12.35 O ATOM 0 H SER A 87 28.833 -4.956 -7.633 1.00 10.16 H new ATOM 0 HA SER A 87 29.876 -6.952 -9.427 1.00 11.17 H new ATOM 0 HB2 SER A 87 27.924 -5.366 -9.844 1.00 11.77 H new ATOM 0 HB3 SER A 87 29.089 -4.062 -9.966 1.00 11.77 H new ATOM 0 HG SER A 87 28.566 -4.968 -12.033 1.00 12.35 H new ATOM 1249 N MET A 88 31.788 -4.559 -8.389 1.00 9.91 N ATOM 1250 CA MET A 88 33.165 -4.071 -8.373 1.00 9.62 C ATOM 1251 C MET A 88 34.106 -5.157 -7.879 1.00 9.52 C ATOM 1252 O MET A 88 35.300 -5.155 -8.180 1.00 9.66 O ATOM 1253 CB MET A 88 33.293 -2.853 -7.462 1.00 8.63 C ATOM 1254 CG MET A 88 32.608 -1.605 -7.990 1.00 8.93 C ATOM 1255 SD MET A 88 33.293 -1.045 -9.560 1.00 10.15 S ATOM 1256 CE MET A 88 32.272 0.392 -9.868 1.00 10.33 C ATOM 0 H MET A 88 31.211 -4.208 -7.625 1.00 9.91 H new ATOM 0 HA MET A 88 33.433 -3.791 -9.392 1.00 9.62 H new ATOM 0 HB2 MET A 88 32.874 -3.098 -6.486 1.00 8.63 H new ATOM 0 HB3 MET A 88 34.350 -2.637 -7.310 1.00 8.63 H new ATOM 0 HG2 MET A 88 31.544 -1.805 -8.114 1.00 8.93 H new ATOM 0 HG3 MET A 88 32.699 -0.807 -7.253 1.00 8.93 H new ATOM 0 HE1 MET A 88 32.582 0.866 -10.799 1.00 10.33 H new ATOM 0 HE2 MET A 88 31.228 0.087 -9.946 1.00 10.33 H new ATOM 0 HE3 MET A 88 32.383 1.100 -9.046 1.00 10.33 H new ATOM 1266 N GLY A 89 33.554 -6.078 -7.111 1.00 9.41 N ATOM 1267 CA GLY A 89 34.340 -7.151 -6.547 1.00 9.53 C ATOM 1268 C GLY A 89 34.151 -7.259 -5.050 1.00 8.82 C ATOM 1269 O GLY A 89 34.879 -7.980 -4.370 1.00 9.04 O ATOM 0 H GLY A 89 32.564 -6.102 -6.866 1.00 9.41 H new ATOM 0 HA2 GLY A 89 34.059 -8.093 -7.018 1.00 9.53 H new ATOM 0 HA3 GLY A 89 35.394 -6.985 -6.769 1.00 9.53 H new ATOM 1273 N PHE A 90 33.188 -6.511 -4.532 1.00 8.10 N ATOM 1274 CA PHE A 90 32.856 -6.563 -3.120 1.00 7.50 C ATOM 1275 C PHE A 90 31.614 -7.412 -2.913 1.00 8.05 C ATOM 1276 O PHE A 90 31.109 -8.023 -3.853 1.00 8.89 O ATOM 1277 CB PHE A 90 32.651 -5.142 -2.588 1.00 6.45 C ATOM 1278 CG PHE A 90 33.878 -4.286 -2.764 1.00 6.07 C ATOM 1279 CD1 PHE A 90 35.122 -4.728 -2.335 1.00 6.07 C ATOM 1280 CD2 PHE A 90 33.785 -3.032 -3.347 1.00 5.98 C ATOM 1281 CE1 PHE A 90 36.247 -3.938 -2.489 1.00 5.89 C ATOM 1282 CE2 PHE A 90 34.906 -2.236 -3.502 1.00 5.84 C ATOM 1283 CZ PHE A 90 36.155 -2.720 -3.101 1.00 5.76 C ATOM 0 H PHE A 90 32.621 -5.858 -5.074 1.00 8.10 H new ATOM 0 HA PHE A 90 33.675 -7.022 -2.566 1.00 7.50 H new ATOM 0 HB2 PHE A 90 31.810 -4.680 -3.106 1.00 6.45 H new ATOM 0 HB3 PHE A 90 32.389 -5.186 -1.531 1.00 6.45 H new ATOM 0 HD1 PHE A 90 35.213 -5.701 -1.875 1.00 6.07 H new ATOM 0 HD2 PHE A 90 32.825 -2.671 -3.685 1.00 5.98 H new ATOM 0 HE1 PHE A 90 37.202 -4.286 -2.124 1.00 5.89 H new ATOM 0 HE2 PHE A 90 34.817 -1.248 -3.930 1.00 5.84 H new ATOM 0 HZ PHE A 90 37.045 -2.133 -3.275 1.00 5.76 H new ATOM 1293 N GLN A 91 31.139 -7.472 -1.689 1.00 7.71 N ATOM 1294 CA GLN A 91 29.946 -8.221 -1.382 1.00 8.28 C ATOM 1295 C GLN A 91 28.759 -7.273 -1.276 1.00 7.66 C ATOM 1296 O GLN A 91 28.924 -6.140 -0.831 1.00 6.72 O ATOM 1297 CB GLN A 91 30.142 -8.975 -0.072 1.00 8.59 C ATOM 1298 CG GLN A 91 28.934 -9.788 0.337 1.00 9.30 C ATOM 1299 CD GLN A 91 29.088 -10.443 1.696 1.00 9.79 C ATOM 1300 OE1 GLN A 91 30.202 -10.723 2.140 1.00 10.05 O ATOM 1301 NE2 GLN A 91 27.973 -10.712 2.355 1.00 10.16 N ATOM 0 H GLN A 91 31.565 -7.007 -0.887 1.00 7.71 H new ATOM 0 HA GLN A 91 29.750 -8.940 -2.177 1.00 8.28 H new ATOM 0 HB2 GLN A 91 31.002 -9.638 -0.168 1.00 8.59 H new ATOM 0 HB3 GLN A 91 30.376 -8.262 0.718 1.00 8.59 H new ATOM 0 HG2 GLN A 91 28.056 -9.142 0.350 1.00 9.30 H new ATOM 0 HG3 GLN A 91 28.752 -10.559 -0.412 1.00 9.30 H new ATOM 0 HE21 GLN A 91 27.070 -10.463 1.952 1.00 10.16 H new ATOM 0 HE22 GLN A 91 28.017 -11.168 3.266 1.00 10.16 H new ATOM 1310 N ARG A 92 27.577 -7.713 -1.692 1.00 8.25 N ATOM 1311 CA ARG A 92 26.385 -6.871 -1.620 1.00 7.79 C ATOM 1312 C ARG A 92 26.145 -6.394 -0.195 1.00 7.08 C ATOM 1313 O ARG A 92 25.982 -5.205 0.053 1.00 6.21 O ATOM 1314 CB ARG A 92 25.157 -7.629 -2.094 1.00 8.69 C ATOM 1315 CG ARG A 92 23.905 -6.780 -2.057 1.00 8.30 C ATOM 1316 CD ARG A 92 22.670 -7.619 -1.823 1.00 8.98 C ATOM 1317 NE ARG A 92 22.446 -8.571 -2.911 1.00 10.14 N ATOM 1318 CZ ARG A 92 21.442 -9.445 -2.949 1.00 10.93 C ATOM 1319 NH1 ARG A 92 20.548 -9.490 -1.970 1.00 10.74 N ATOM 1320 NH2 ARG A 92 21.338 -10.276 -3.978 1.00 11.98 N ATOM 0 H ARG A 92 27.417 -8.642 -2.081 1.00 8.25 H new ATOM 0 HA ARG A 92 26.555 -6.012 -2.269 1.00 7.79 H new ATOM 0 HB2 ARG A 92 25.322 -7.983 -3.111 1.00 8.69 H new ATOM 0 HB3 ARG A 92 25.014 -8.510 -1.469 1.00 8.69 H new ATOM 0 HG2 ARG A 92 23.994 -6.034 -1.267 1.00 8.30 H new ATOM 0 HG3 ARG A 92 23.804 -6.238 -2.997 1.00 8.30 H new ATOM 0 HD2 ARG A 92 22.771 -8.160 -0.882 1.00 8.98 H new ATOM 0 HD3 ARG A 92 21.801 -6.968 -1.725 1.00 8.98 H new ATOM 0 HE ARG A 92 23.102 -8.565 -3.692 1.00 10.14 H new ATOM 0 HH11 ARG A 92 20.626 -8.851 -1.179 1.00 10.74 H new ATOM 0 HH12 ARG A 92 19.783 -10.163 -2.009 1.00 10.74 H new ATOM 0 HH21 ARG A 92 22.024 -10.242 -4.732 1.00 11.98 H new ATOM 0 HH22 ARG A 92 20.572 -10.949 -4.015 1.00 11.98 H new ATOM 1334 N ASN A 93 26.118 -7.337 0.730 1.00 7.66 N ATOM 1335 CA ASN A 93 25.918 -7.030 2.146 1.00 7.40 C ATOM 1336 C ASN A 93 27.009 -6.102 2.665 1.00 6.66 C ATOM 1337 O ASN A 93 26.758 -5.228 3.496 1.00 6.20 O ATOM 1338 CB ASN A 93 25.896 -8.319 2.956 1.00 8.50 C ATOM 1339 CG ASN A 93 25.636 -8.089 4.435 1.00 8.62 C ATOM 1340 OD1 ASN A 93 26.565 -7.942 5.231 1.00 8.59 O ATOM 1341 ND2 ASN A 93 24.368 -8.052 4.808 1.00 9.02 N ATOM 0 H ASN A 93 26.232 -8.331 0.530 1.00 7.66 H new ATOM 0 HA ASN A 93 24.961 -6.519 2.255 1.00 7.40 H new ATOM 0 HB2 ASN A 93 25.126 -8.979 2.556 1.00 8.50 H new ATOM 0 HB3 ASN A 93 26.850 -8.833 2.836 1.00 8.50 H new ATOM 0 HD21 ASN A 93 24.129 -7.897 5.787 1.00 9.02 H new ATOM 0 HD22 ASN A 93 23.629 -8.178 4.116 1.00 9.02 H new ATOM 1348 N GLN A 94 28.218 -6.299 2.160 1.00 6.68 N ATOM 1349 CA GLN A 94 29.344 -5.439 2.489 1.00 6.08 C ATOM 1350 C GLN A 94 29.101 -4.043 1.935 1.00 5.11 C ATOM 1351 O GLN A 94 29.403 -3.040 2.579 1.00 4.70 O ATOM 1352 CB GLN A 94 30.635 -6.056 1.937 1.00 6.39 C ATOM 1353 CG GLN A 94 31.771 -5.072 1.707 1.00 5.72 C ATOM 1354 CD GLN A 94 33.099 -5.776 1.526 1.00 6.13 C ATOM 1355 OE1 GLN A 94 33.469 -6.151 0.415 1.00 6.28 O ATOM 1356 NE2 GLN A 94 33.821 -5.955 2.617 1.00 6.56 N ATOM 0 H GLN A 94 28.445 -7.055 1.514 1.00 6.68 H new ATOM 0 HA GLN A 94 29.449 -5.352 3.570 1.00 6.08 H new ATOM 0 HB2 GLN A 94 30.976 -6.826 2.629 1.00 6.39 H new ATOM 0 HB3 GLN A 94 30.408 -6.553 0.994 1.00 6.39 H new ATOM 0 HG2 GLN A 94 31.556 -4.469 0.825 1.00 5.72 H new ATOM 0 HG3 GLN A 94 31.835 -4.387 2.553 1.00 5.72 H new ATOM 0 HE21 GLN A 94 33.473 -5.627 3.518 1.00 6.56 H new ATOM 0 HE22 GLN A 94 34.726 -6.421 2.559 1.00 6.56 H new ATOM 1365 N ALA A 95 28.525 -4.001 0.745 1.00 5.10 N ATOM 1366 CA ALA A 95 28.125 -2.760 0.122 1.00 4.58 C ATOM 1367 C ALA A 95 27.032 -2.081 0.942 1.00 4.24 C ATOM 1368 O ALA A 95 27.031 -0.862 1.098 1.00 3.93 O ATOM 1369 CB ALA A 95 27.642 -3.047 -1.286 1.00 5.22 C ATOM 0 H ALA A 95 28.323 -4.830 0.187 1.00 5.10 H new ATOM 0 HA ALA A 95 28.977 -2.082 0.077 1.00 4.58 H new ATOM 0 HB1 ALA A 95 27.338 -2.115 -1.763 1.00 5.22 H new ATOM 0 HB2 ALA A 95 28.448 -3.503 -1.861 1.00 5.22 H new ATOM 0 HB3 ALA A 95 26.792 -3.729 -1.247 1.00 5.22 H new ATOM 1375 N ILE A 96 26.106 -2.884 1.468 1.00 4.61 N ATOM 1376 CA ILE A 96 25.051 -2.370 2.328 1.00 4.48 C ATOM 1377 C ILE A 96 25.641 -1.685 3.555 1.00 4.45 C ATOM 1378 O ILE A 96 25.322 -0.532 3.845 1.00 4.33 O ATOM 1379 CB ILE A 96 24.070 -3.482 2.784 1.00 5.19 C ATOM 1380 CG1 ILE A 96 23.014 -3.727 1.712 1.00 5.44 C ATOM 1381 CG2 ILE A 96 23.401 -3.115 4.099 1.00 5.34 C ATOM 1382 CD1 ILE A 96 23.004 -5.137 1.182 1.00 6.39 C ATOM 0 H ILE A 96 26.069 -3.891 1.311 1.00 4.61 H new ATOM 0 HA ILE A 96 24.491 -1.646 1.736 1.00 4.48 H new ATOM 0 HB ILE A 96 24.644 -4.396 2.936 1.00 5.19 H new ATOM 0 HG12 ILE A 96 22.031 -3.496 2.123 1.00 5.44 H new ATOM 0 HG13 ILE A 96 23.183 -3.038 0.884 1.00 5.44 H new ATOM 0 HG21 ILE A 96 22.719 -3.912 4.395 1.00 5.34 H new ATOM 0 HG22 ILE A 96 24.161 -2.983 4.869 1.00 5.34 H new ATOM 0 HG23 ILE A 96 22.843 -2.187 3.977 1.00 5.34 H new ATOM 0 HD11 ILE A 96 22.227 -5.235 0.424 1.00 6.39 H new ATOM 0 HD12 ILE A 96 23.974 -5.366 0.740 1.00 6.39 H new ATOM 0 HD13 ILE A 96 22.804 -5.831 1.998 1.00 6.39 H new ATOM 1394 N GLN A 97 26.510 -2.401 4.256 1.00 4.95 N ATOM 1395 CA GLN A 97 27.170 -1.872 5.446 1.00 5.42 C ATOM 1396 C GLN A 97 27.916 -0.588 5.128 1.00 5.09 C ATOM 1397 O GLN A 97 27.859 0.388 5.883 1.00 5.57 O ATOM 1398 CB GLN A 97 28.139 -2.897 6.009 1.00 6.13 C ATOM 1399 CG GLN A 97 28.859 -2.430 7.262 1.00 6.88 C ATOM 1400 CD GLN A 97 29.600 -3.557 7.963 1.00 7.78 C ATOM 1401 OE1 GLN A 97 30.763 -3.837 7.662 1.00 8.13 O ATOM 1402 NE2 GLN A 97 28.942 -4.199 8.916 1.00 8.36 N ATOM 0 H GLN A 97 26.777 -3.357 4.020 1.00 4.95 H new ATOM 0 HA GLN A 97 26.402 -1.654 6.188 1.00 5.42 H new ATOM 0 HB2 GLN A 97 27.595 -3.814 6.234 1.00 6.13 H new ATOM 0 HB3 GLN A 97 28.878 -3.143 5.246 1.00 6.13 H new ATOM 0 HG2 GLN A 97 29.566 -1.643 6.999 1.00 6.88 H new ATOM 0 HG3 GLN A 97 28.136 -1.992 7.950 1.00 6.88 H new ATOM 0 HE21 GLN A 97 27.981 -3.939 9.136 1.00 8.36 H new ATOM 0 HE22 GLN A 97 29.396 -4.954 9.430 1.00 8.36 H new ATOM 1411 N ALA A 98 28.620 -0.603 4.008 1.00 4.57 N ATOM 1412 CA ALA A 98 29.359 0.559 3.562 1.00 4.55 C ATOM 1413 C ALA A 98 28.426 1.739 3.333 1.00 4.70 C ATOM 1414 O ALA A 98 28.615 2.799 3.920 1.00 5.41 O ATOM 1415 CB ALA A 98 30.139 0.233 2.300 1.00 4.17 C ATOM 0 H ALA A 98 28.693 -1.412 3.391 1.00 4.57 H new ATOM 0 HA ALA A 98 30.066 0.839 4.342 1.00 4.55 H new ATOM 0 HB1 ALA A 98 30.690 1.115 1.975 1.00 4.17 H new ATOM 0 HB2 ALA A 98 30.839 -0.578 2.504 1.00 4.17 H new ATOM 0 HB3 ALA A 98 29.448 -0.073 1.514 1.00 4.17 H new ATOM 1421 N LEU A 99 27.391 1.538 2.522 1.00 4.31 N ATOM 1422 CA LEU A 99 26.433 2.594 2.228 1.00 4.67 C ATOM 1423 C LEU A 99 25.743 3.090 3.494 1.00 5.10 C ATOM 1424 O LEU A 99 25.407 4.260 3.594 1.00 5.77 O ATOM 1425 CB LEU A 99 25.384 2.108 1.242 1.00 4.44 C ATOM 1426 CG LEU A 99 25.910 1.739 -0.142 1.00 4.61 C ATOM 1427 CD1 LEU A 99 24.838 1.045 -0.947 1.00 4.82 C ATOM 1428 CD2 LEU A 99 26.381 2.973 -0.868 1.00 5.40 C ATOM 0 H LEU A 99 27.196 0.651 2.057 1.00 4.31 H new ATOM 0 HA LEU A 99 26.990 3.421 1.788 1.00 4.67 H new ATOM 0 HB2 LEU A 99 24.886 1.237 1.667 1.00 4.44 H new ATOM 0 HB3 LEU A 99 24.627 2.885 1.130 1.00 4.44 H new ATOM 0 HG LEU A 99 26.752 1.058 -0.020 1.00 4.61 H new ATOM 0 HD11 LEU A 99 25.230 0.789 -1.931 1.00 4.82 H new ATOM 0 HD12 LEU A 99 24.528 0.136 -0.432 1.00 4.82 H new ATOM 0 HD13 LEU A 99 23.981 1.709 -1.060 1.00 4.82 H new ATOM 0 HD21 LEU A 99 26.754 2.695 -1.854 1.00 5.40 H new ATOM 0 HD22 LEU A 99 25.550 3.670 -0.977 1.00 5.40 H new ATOM 0 HD23 LEU A 99 27.180 3.447 -0.299 1.00 5.40 H new ATOM 1440 N ARG A 100 25.510 2.195 4.445 1.00 5.01 N ATOM 1441 CA ARG A 100 24.940 2.582 5.736 1.00 5.73 C ATOM 1442 C ARG A 100 25.787 3.663 6.383 1.00 6.63 C ATOM 1443 O ARG A 100 25.278 4.674 6.874 1.00 7.33 O ATOM 1444 CB ARG A 100 24.857 1.371 6.664 1.00 5.96 C ATOM 1445 CG ARG A 100 23.702 0.446 6.346 1.00 5.58 C ATOM 1446 CD ARG A 100 23.796 -0.847 7.129 1.00 6.19 C ATOM 1447 NE ARG A 100 22.567 -1.631 7.015 1.00 6.32 N ATOM 1448 CZ ARG A 100 22.302 -2.728 7.720 1.00 7.08 C ATOM 1449 NH1 ARG A 100 23.151 -3.157 8.649 1.00 7.71 N ATOM 1450 NH2 ARG A 100 21.168 -3.386 7.514 1.00 7.36 N ATOM 0 H ARG A 100 25.705 1.198 4.351 1.00 5.01 H new ATOM 0 HA ARG A 100 23.936 2.970 5.566 1.00 5.73 H new ATOM 0 HB2 ARG A 100 25.790 0.810 6.601 1.00 5.96 H new ATOM 0 HB3 ARG A 100 24.762 1.717 7.693 1.00 5.96 H new ATOM 0 HG2 ARG A 100 22.761 0.945 6.577 1.00 5.58 H new ATOM 0 HG3 ARG A 100 23.693 0.226 5.278 1.00 5.58 H new ATOM 0 HD2 ARG A 100 24.639 -1.434 6.765 1.00 6.19 H new ATOM 0 HD3 ARG A 100 23.992 -0.625 8.178 1.00 6.19 H new ATOM 0 HE ARG A 100 21.863 -1.315 6.348 1.00 6.32 H new ATOM 0 HH11 ARG A 100 24.015 -2.644 8.827 1.00 7.71 H new ATOM 0 HH12 ARG A 100 22.939 -3.999 9.184 1.00 7.71 H new ATOM 0 HH21 ARG A 100 20.503 -3.050 6.817 1.00 7.36 H new ATOM 0 HH22 ARG A 100 20.961 -4.227 8.052 1.00 7.36 H new ATOM 1464 N ALA A 101 27.086 3.439 6.370 1.00 6.70 N ATOM 1465 CA ALA A 101 28.039 4.380 6.925 1.00 7.62 C ATOM 1466 C ALA A 101 28.150 5.640 6.060 1.00 7.91 C ATOM 1467 O ALA A 101 28.183 6.758 6.577 1.00 8.88 O ATOM 1468 CB ALA A 101 29.386 3.695 7.051 1.00 7.61 C ATOM 0 H ALA A 101 27.511 2.600 5.975 1.00 6.70 H new ATOM 0 HA ALA A 101 27.694 4.697 7.909 1.00 7.62 H new ATOM 0 HB1 ALA A 101 30.112 4.393 7.468 1.00 7.61 H new ATOM 0 HB2 ALA A 101 29.295 2.831 7.709 1.00 7.61 H new ATOM 0 HB3 ALA A 101 29.721 3.368 6.067 1.00 7.61 H new ATOM 1474 N THR A 102 28.186 5.451 4.745 1.00 7.24 N ATOM 1475 CA THR A 102 28.413 6.541 3.804 1.00 7.76 C ATOM 1476 C THR A 102 27.134 7.319 3.487 1.00 8.12 C ATOM 1477 O THR A 102 27.164 8.293 2.735 1.00 8.79 O ATOM 1478 CB THR A 102 29.011 5.986 2.504 1.00 7.19 C ATOM 1479 OG1 THR A 102 28.017 5.248 1.772 1.00 6.44 O ATOM 1480 CG2 THR A 102 30.166 5.068 2.852 1.00 6.79 C ATOM 0 H THR A 102 28.059 4.541 4.303 1.00 7.24 H new ATOM 0 HA THR A 102 29.108 7.235 4.276 1.00 7.76 H new ATOM 0 HB THR A 102 29.359 6.812 1.884 1.00 7.19 H new ATOM 0 HG1 THR A 102 28.219 5.289 0.814 1.00 6.44 H new ATOM 0 HG21 THR A 102 30.600 4.666 1.936 1.00 6.79 H new ATOM 0 HG22 THR A 102 30.925 5.629 3.398 1.00 6.79 H new ATOM 0 HG23 THR A 102 29.805 4.248 3.472 1.00 6.79 H new ATOM 1488 N ASN A 103 26.020 6.882 4.079 1.00 7.78 N ATOM 1489 CA ASN A 103 24.702 7.456 3.817 1.00 8.03 C ATOM 1490 C ASN A 103 24.305 7.231 2.362 1.00 7.69 C ATOM 1491 O ASN A 103 24.084 8.182 1.617 1.00 8.43 O ATOM 1492 CB ASN A 103 24.663 8.950 4.155 1.00 9.26 C ATOM 1493 CG ASN A 103 25.057 9.244 5.590 1.00 9.66 C ATOM 1494 OD1 ASN A 103 26.225 9.500 5.886 1.00 10.09 O ATOM 1495 ND2 ASN A 103 24.091 9.211 6.492 1.00 9.74 N ATOM 0 H ASN A 103 26.009 6.118 4.755 1.00 7.78 H new ATOM 0 HA ASN A 103 23.984 6.950 4.463 1.00 8.03 H new ATOM 0 HB2 ASN A 103 25.333 9.486 3.483 1.00 9.26 H new ATOM 0 HB3 ASN A 103 23.658 9.331 3.975 1.00 9.26 H new ATOM 0 HD21 ASN A 103 24.301 9.402 7.472 1.00 9.74 H new ATOM 0 HD22 ASN A 103 23.135 8.995 6.208 1.00 9.74 H new ATOM 1502 N ASN A 104 24.232 5.949 1.986 1.00 6.74 N ATOM 1503 CA ASN A 104 23.908 5.501 0.623 1.00 6.57 C ATOM 1504 C ASN A 104 24.737 6.234 -0.431 1.00 7.31 C ATOM 1505 O ASN A 104 24.278 6.484 -1.546 1.00 7.80 O ATOM 1506 CB ASN A 104 22.392 5.582 0.315 1.00 6.81 C ATOM 1507 CG ASN A 104 21.804 6.984 0.322 1.00 7.28 C ATOM 1508 OD1 ASN A 104 21.337 7.466 1.358 1.00 7.71 O ATOM 1509 ND2 ASN A 104 21.782 7.629 -0.833 1.00 7.45 N ATOM 0 H ASN A 104 24.399 5.177 2.632 1.00 6.74 H new ATOM 0 HA ASN A 104 24.180 4.447 0.575 1.00 6.57 H new ATOM 0 HB2 ASN A 104 22.212 5.135 -0.662 1.00 6.81 H new ATOM 0 HB3 ASN A 104 21.856 4.977 1.046 1.00 6.81 H new ATOM 0 HD21 ASN A 104 21.368 8.560 -0.890 1.00 7.45 H new ATOM 0 HD22 ASN A 104 22.179 7.196 -1.667 1.00 7.45 H new ATOM 1516 N ASN A 105 25.975 6.548 -0.075 1.00 7.54 N ATOM 1517 CA ASN A 105 26.921 7.141 -1.010 1.00 8.24 C ATOM 1518 C ASN A 105 27.739 6.030 -1.650 1.00 7.62 C ATOM 1519 O ASN A 105 28.550 5.384 -0.987 1.00 6.99 O ATOM 1520 CB ASN A 105 27.850 8.124 -0.294 1.00 8.91 C ATOM 1521 CG ASN A 105 28.619 8.999 -1.267 1.00 9.80 C ATOM 1522 OD1 ASN A 105 29.662 8.603 -1.790 1.00 10.00 O ATOM 1523 ND2 ASN A 105 28.128 10.208 -1.490 1.00 10.49 N ATOM 0 H ASN A 105 26.350 6.400 0.862 1.00 7.54 H new ATOM 0 HA ASN A 105 26.372 7.690 -1.774 1.00 8.24 H new ATOM 0 HB2 ASN A 105 27.263 8.755 0.374 1.00 8.91 H new ATOM 0 HB3 ASN A 105 28.553 7.570 0.327 1.00 8.91 H new ATOM 0 HD21 ASN A 105 28.617 10.850 -2.115 1.00 10.49 H new ATOM 0 HD22 ASN A 105 27.261 10.498 -1.037 1.00 10.49 H new ATOM 1530 N LEU A 106 27.509 5.823 -2.944 1.00 7.99 N ATOM 1531 CA LEU A 106 28.123 4.739 -3.707 1.00 7.70 C ATOM 1532 C LEU A 106 29.641 4.790 -3.626 1.00 7.69 C ATOM 1533 O LEU A 106 30.290 3.843 -3.191 1.00 6.94 O ATOM 1534 CB LEU A 106 27.678 4.859 -5.172 1.00 8.64 C ATOM 1535 CG LEU A 106 28.296 3.871 -6.169 1.00 8.79 C ATOM 1536 CD1 LEU A 106 27.309 3.586 -7.278 1.00 9.54 C ATOM 1537 CD2 LEU A 106 29.579 4.419 -6.769 1.00 9.40 C ATOM 0 H LEU A 106 26.885 6.409 -3.498 1.00 7.99 H new ATOM 0 HA LEU A 106 27.802 3.787 -3.285 1.00 7.70 H new ATOM 0 HB2 LEU A 106 26.595 4.744 -5.208 1.00 8.64 H new ATOM 0 HB3 LEU A 106 27.903 5.870 -5.513 1.00 8.64 H new ATOM 0 HG LEU A 106 28.533 2.953 -5.631 1.00 8.79 H new ATOM 0 HD11 LEU A 106 27.750 2.884 -7.986 1.00 9.54 H new ATOM 0 HD12 LEU A 106 26.402 3.154 -6.856 1.00 9.54 H new ATOM 0 HD13 LEU A 106 27.063 4.514 -7.794 1.00 9.54 H new ATOM 0 HD21 LEU A 106 29.991 3.694 -7.471 1.00 9.40 H new ATOM 0 HD22 LEU A 106 29.367 5.351 -7.293 1.00 9.40 H new ATOM 0 HD23 LEU A 106 30.302 4.606 -5.974 1.00 9.40 H new ATOM 1549 N GLU A 107 30.180 5.906 -4.077 1.00 8.63 N ATOM 1550 CA GLU A 107 31.623 6.126 -4.123 1.00 8.84 C ATOM 1551 C GLU A 107 32.253 5.943 -2.756 1.00 8.19 C ATOM 1552 O GLU A 107 33.229 5.208 -2.601 1.00 7.74 O ATOM 1553 CB GLU A 107 31.903 7.531 -4.642 1.00 10.06 C ATOM 1554 CG GLU A 107 31.110 7.840 -5.892 1.00 10.88 C ATOM 1555 CD GLU A 107 31.873 8.685 -6.881 1.00 11.25 C ATOM 1556 OE1 GLU A 107 32.684 8.126 -7.644 1.00 11.82 O ATOM 1557 OE2 GLU A 107 31.661 9.916 -6.898 1.00 11.09 O ATOM 0 H GLU A 107 29.632 6.693 -4.425 1.00 8.63 H new ATOM 0 HA GLU A 107 32.064 5.389 -4.794 1.00 8.84 H new ATOM 0 HB2 GLU A 107 31.659 8.259 -3.868 1.00 10.06 H new ATOM 0 HB3 GLU A 107 32.967 7.635 -4.853 1.00 10.06 H new ATOM 0 HG2 GLU A 107 30.818 6.905 -6.371 1.00 10.88 H new ATOM 0 HG3 GLU A 107 30.191 8.356 -5.614 1.00 10.88 H new ATOM 1564 N ARG A 108 31.673 6.601 -1.769 1.00 8.29 N ATOM 1565 CA ARG A 108 32.170 6.524 -0.405 1.00 8.02 C ATOM 1566 C ARG A 108 32.006 5.126 0.163 1.00 6.88 C ATOM 1567 O ARG A 108 32.759 4.725 1.034 1.00 6.69 O ATOM 1568 CB ARG A 108 31.438 7.506 0.485 1.00 8.62 C ATOM 1569 CG ARG A 108 32.165 7.844 1.760 1.00 8.99 C ATOM 1570 CD ARG A 108 31.330 8.804 2.559 1.00 9.70 C ATOM 1571 NE ARG A 108 31.199 10.092 1.883 1.00 10.72 N ATOM 1572 CZ ARG A 108 30.274 10.999 2.180 1.00 11.45 C ATOM 1573 NH1 ARG A 108 29.456 10.812 3.210 1.00 11.31 N ATOM 1574 NH2 ARG A 108 30.189 12.109 1.460 1.00 12.41 N ATOM 0 H ARG A 108 30.854 7.197 -1.886 1.00 8.29 H new ATOM 0 HA ARG A 108 33.231 6.773 -0.432 1.00 8.02 H new ATOM 0 HB2 ARG A 108 31.262 8.425 -0.074 1.00 8.62 H new ATOM 0 HB3 ARG A 108 30.461 7.093 0.736 1.00 8.62 H new ATOM 0 HG2 ARG A 108 32.354 6.939 2.337 1.00 8.99 H new ATOM 0 HG3 ARG A 108 33.135 8.286 1.534 1.00 8.99 H new ATOM 0 HD2 ARG A 108 30.341 8.377 2.724 1.00 9.70 H new ATOM 0 HD3 ARG A 108 31.782 8.951 3.540 1.00 9.70 H new ATOM 0 HE ARG A 108 31.859 10.309 1.136 1.00 10.72 H new ATOM 0 HH11 ARG A 108 29.536 9.969 3.778 1.00 11.31 H new ATOM 0 HH12 ARG A 108 28.748 11.512 3.433 1.00 11.31 H new ATOM 0 HH21 ARG A 108 30.831 12.263 0.683 1.00 12.41 H new ATOM 0 HH22 ARG A 108 29.481 12.809 1.683 1.00 12.41 H new ATOM 1588 N ALA A 109 31.000 4.396 -0.299 1.00 6.30 N ATOM 1589 CA ALA A 109 30.815 3.029 0.143 1.00 5.34 C ATOM 1590 C ALA A 109 32.017 2.205 -0.263 1.00 5.09 C ATOM 1591 O ALA A 109 32.615 1.515 0.549 1.00 4.76 O ATOM 1592 CB ALA A 109 29.556 2.428 -0.453 1.00 5.03 C ATOM 0 H ALA A 109 30.309 4.727 -0.972 1.00 6.30 H new ATOM 0 HA ALA A 109 30.711 3.026 1.228 1.00 5.34 H new ATOM 0 HB1 ALA A 109 29.442 1.402 -0.104 1.00 5.03 H new ATOM 0 HB2 ALA A 109 28.691 3.014 -0.143 1.00 5.03 H new ATOM 0 HB3 ALA A 109 29.629 2.436 -1.541 1.00 5.03 H new ATOM 1598 N LEU A 110 32.373 2.317 -1.532 1.00 5.51 N ATOM 1599 CA LEU A 110 33.557 1.667 -2.066 1.00 5.52 C ATOM 1600 C LEU A 110 34.795 2.185 -1.357 1.00 5.67 C ATOM 1601 O LEU A 110 35.740 1.445 -1.114 1.00 5.40 O ATOM 1602 CB LEU A 110 33.656 1.959 -3.555 1.00 6.35 C ATOM 1603 CG LEU A 110 32.426 1.579 -4.366 1.00 6.65 C ATOM 1604 CD1 LEU A 110 32.432 2.299 -5.700 1.00 7.78 C ATOM 1605 CD2 LEU A 110 32.382 0.078 -4.572 1.00 6.44 C ATOM 0 H LEU A 110 31.850 2.860 -2.219 1.00 5.51 H new ATOM 0 HA LEU A 110 33.485 0.591 -1.908 1.00 5.52 H new ATOM 0 HB2 LEU A 110 33.847 3.024 -3.690 1.00 6.35 H new ATOM 0 HB3 LEU A 110 34.518 1.427 -3.958 1.00 6.35 H new ATOM 0 HG LEU A 110 31.535 1.881 -3.816 1.00 6.65 H new ATOM 0 HD11 LEU A 110 31.546 2.017 -6.269 1.00 7.78 H new ATOM 0 HD12 LEU A 110 32.428 3.376 -5.532 1.00 7.78 H new ATOM 0 HD13 LEU A 110 33.326 2.022 -6.259 1.00 7.78 H new ATOM 0 HD21 LEU A 110 31.498 -0.184 -5.153 1.00 6.44 H new ATOM 0 HD22 LEU A 110 33.276 -0.242 -5.107 1.00 6.44 H new ATOM 0 HD23 LEU A 110 32.340 -0.421 -3.604 1.00 6.44 H new ATOM 1617 N ASP A 111 34.771 3.474 -1.045 1.00 6.32 N ATOM 1618 CA ASP A 111 35.816 4.110 -0.243 1.00 6.81 C ATOM 1619 C ASP A 111 35.938 3.396 1.098 1.00 6.41 C ATOM 1620 O ASP A 111 37.013 2.953 1.502 1.00 6.49 O ATOM 1621 CB ASP A 111 35.460 5.574 0.027 1.00 7.75 C ATOM 1622 CG ASP A 111 36.662 6.402 0.440 1.00 8.59 C ATOM 1623 OD1 ASP A 111 37.051 6.340 1.622 1.00 9.04 O ATOM 1624 OD2 ASP A 111 37.218 7.129 -0.410 1.00 8.94 O ATOM 0 H ASP A 111 34.029 4.110 -1.339 1.00 6.32 H new ATOM 0 HA ASP A 111 36.755 4.052 -0.793 1.00 6.81 H new ATOM 0 HB2 ASP A 111 35.016 6.007 -0.869 1.00 7.75 H new ATOM 0 HB3 ASP A 111 34.705 5.621 0.811 1.00 7.75 H new ATOM 1629 N TRP A 112 34.794 3.282 1.757 1.00 6.15 N ATOM 1630 CA TRP A 112 34.674 2.659 3.061 1.00 6.12 C ATOM 1631 C TRP A 112 35.113 1.208 2.999 1.00 5.57 C ATOM 1632 O TRP A 112 35.860 0.726 3.850 1.00 5.97 O ATOM 1633 CB TRP A 112 33.222 2.751 3.526 1.00 6.03 C ATOM 1634 CG TRP A 112 33.036 2.415 4.973 1.00 6.48 C ATOM 1635 CD1 TRP A 112 33.078 3.281 6.023 1.00 6.79 C ATOM 1636 CD2 TRP A 112 32.789 1.118 5.532 1.00 7.05 C ATOM 1637 NE1 TRP A 112 32.880 2.606 7.202 1.00 7.45 N ATOM 1638 CE2 TRP A 112 32.695 1.276 6.924 1.00 7.60 C ATOM 1639 CE3 TRP A 112 32.642 -0.160 4.987 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 32.458 0.207 7.782 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 32.404 -1.221 5.839 1.00 8.25 C ATOM 1642 CH2 TRP A 112 32.315 -1.031 7.222 1.00 8.69 C ATOM 0 H TRP A 112 33.907 3.628 1.390 1.00 6.15 H new ATOM 0 HA TRP A 112 35.319 3.179 3.769 1.00 6.12 H new ATOM 0 HB2 TRP A 112 32.854 3.761 3.346 1.00 6.03 H new ATOM 0 HB3 TRP A 112 32.612 2.078 2.924 1.00 6.03 H new ATOM 0 HD1 TRP A 112 33.243 4.345 5.940 1.00 6.79 H new ATOM 0 HE1 TRP A 112 32.872 3.025 8.132 1.00 7.45 H new ATOM 0 HE3 TRP A 112 32.713 -0.315 3.921 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 32.390 0.350 8.850 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 32.285 -2.214 5.431 1.00 8.25 H new ATOM 0 HH2 TRP A 112 32.129 -1.882 7.861 1.00 8.69 H new ATOM 1653 N ILE A 113 34.645 0.526 1.971 1.00 4.92 N ATOM 1654 CA ILE A 113 34.959 -0.873 1.768 1.00 4.71 C ATOM 1655 C ILE A 113 36.442 -1.057 1.432 1.00 4.95 C ATOM 1656 O ILE A 113 37.064 -2.042 1.827 1.00 5.25 O ATOM 1657 CB ILE A 113 34.080 -1.473 0.652 1.00 4.41 C ATOM 1658 CG1 ILE A 113 32.600 -1.403 1.048 1.00 4.22 C ATOM 1659 CG2 ILE A 113 34.485 -2.908 0.380 1.00 4.75 C ATOM 1660 CD1 ILE A 113 31.661 -2.023 0.048 1.00 4.30 C ATOM 0 H ILE A 113 34.038 0.926 1.255 1.00 4.92 H new ATOM 0 HA ILE A 113 34.749 -1.402 2.698 1.00 4.71 H new ATOM 0 HB ILE A 113 34.225 -0.892 -0.259 1.00 4.41 H new ATOM 0 HG12 ILE A 113 32.469 -1.901 2.009 1.00 4.22 H new ATOM 0 HG13 ILE A 113 32.323 -0.358 1.190 1.00 4.22 H new ATOM 0 HG21 ILE A 113 33.857 -3.320 -0.410 1.00 4.75 H new ATOM 0 HG22 ILE A 113 35.529 -2.938 0.067 1.00 4.75 H new ATOM 0 HG23 ILE A 113 34.361 -3.499 1.287 1.00 4.75 H new ATOM 0 HD11 ILE A 113 30.636 -1.930 0.406 1.00 4.30 H new ATOM 0 HD12 ILE A 113 31.759 -1.511 -0.909 1.00 4.30 H new ATOM 0 HD13 ILE A 113 31.908 -3.077 -0.078 1.00 4.30 H new ATOM 1672 N PHE A 114 37.006 -0.088 0.714 1.00 5.07 N ATOM 1673 CA PHE A 114 38.426 -0.102 0.363 1.00 5.37 C ATOM 1674 C PHE A 114 39.279 0.088 1.614 1.00 5.85 C ATOM 1675 O PHE A 114 40.396 -0.419 1.711 1.00 6.10 O ATOM 1676 CB PHE A 114 38.729 1.001 -0.655 1.00 5.75 C ATOM 1677 CG PHE A 114 40.132 0.967 -1.193 1.00 6.09 C ATOM 1678 CD1 PHE A 114 40.527 -0.025 -2.076 1.00 6.17 C ATOM 1679 CD2 PHE A 114 41.055 1.926 -0.811 1.00 6.53 C ATOM 1680 CE1 PHE A 114 41.818 -0.058 -2.568 1.00 6.62 C ATOM 1681 CE2 PHE A 114 42.346 1.898 -1.300 1.00 6.91 C ATOM 1682 CZ PHE A 114 42.722 0.906 -2.197 1.00 6.92 C ATOM 0 H PHE A 114 36.497 0.723 0.361 1.00 5.07 H new ATOM 0 HA PHE A 114 38.668 -1.067 -0.083 1.00 5.37 H new ATOM 0 HB2 PHE A 114 38.030 0.916 -1.487 1.00 5.75 H new ATOM 0 HB3 PHE A 114 38.553 1.970 -0.188 1.00 5.75 H new ATOM 0 HD1 PHE A 114 39.819 -0.780 -2.383 1.00 6.17 H new ATOM 0 HD2 PHE A 114 40.762 2.705 -0.123 1.00 6.53 H new ATOM 0 HE1 PHE A 114 42.116 -0.844 -3.246 1.00 6.62 H new ATOM 0 HE2 PHE A 114 43.061 2.644 -0.986 1.00 6.91 H new ATOM 0 HZ PHE A 114 43.723 0.893 -2.602 1.00 6.92 H new