USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 503 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 1 GLY N :NH3+ 146:sc= 0.024 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.6!) USER MOD Single : A 15 ASN : amide:sc= -0.0512 X(o=-0.051,f=-0.039) USER MOD Single : A 21 GLN : amide:sc=-0.00647 X(o=-0.0065,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 29 SER OG : rot 67:sc= 0.163 USER MOD Single : A 32 GLN :FLIP amide:sc= -5.57! C(o=-8.2!,f=-5.6!) USER MOD Single : A 34 GLN : amide:sc= -0.0769 K(o=-0.077,f=-0.85) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -4.43 K(o=-4.4,f=-6.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 169:sc= 0 (180deg=-0.0307) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -7.47! C(o=-7.5!,f=-13!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.555 -55.940 24.034 1.00 0.00 N ATOM 2 CA GLY A 1 -4.914 -55.112 22.896 1.00 0.00 C ATOM 3 C GLY A 1 -3.669 -54.504 22.247 1.00 0.00 C ATOM 4 O GLY A 1 -2.712 -54.155 22.937 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.295 -55.870 24.761 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.462 -56.930 23.728 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.650 -55.614 24.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.456 -55.710 22.163 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.586 -54.317 23.218 1.00 0.00 H new ATOM 8 N SER A 2 -3.721 -54.395 20.927 1.00 0.00 N ATOM 9 CA SER A 2 -2.610 -53.834 20.178 1.00 0.00 C ATOM 10 C SER A 2 -3.103 -52.692 19.287 1.00 0.00 C ATOM 11 O SER A 2 -4.266 -52.669 18.887 1.00 0.00 O ATOM 12 CB SER A 2 -1.919 -54.906 19.333 1.00 0.00 C ATOM 13 OG SER A 2 -0.611 -54.510 18.932 1.00 0.00 O ATOM 0 H SER A 2 -4.516 -54.686 20.357 1.00 0.00 H new ATOM 0 HA SER A 2 -1.881 -53.443 20.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.858 -55.833 19.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.521 -55.114 18.449 1.00 0.00 H new ATOM 0 HG SER A 2 -0.203 -55.222 18.396 1.00 0.00 H new ATOM 19 N SER A 3 -2.193 -51.772 19.002 1.00 0.00 N ATOM 20 CA SER A 3 -2.520 -50.630 18.166 1.00 0.00 C ATOM 21 C SER A 3 -1.915 -50.811 16.772 1.00 0.00 C ATOM 22 O SER A 3 -2.393 -50.223 15.803 1.00 0.00 O ATOM 23 CB SER A 3 -2.023 -49.326 18.794 1.00 0.00 C ATOM 24 OG SER A 3 -2.598 -49.100 20.078 1.00 0.00 O ATOM 0 H SER A 3 -1.229 -51.794 19.335 1.00 0.00 H new ATOM 0 HA SER A 3 -3.605 -50.570 18.080 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.937 -49.357 18.883 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.265 -48.491 18.136 1.00 0.00 H new ATOM 0 HG SER A 3 -2.255 -48.259 20.447 1.00 0.00 H new ATOM 30 N GLY A 4 -0.873 -51.627 16.716 1.00 0.00 N ATOM 31 CA GLY A 4 -0.199 -51.893 15.456 1.00 0.00 C ATOM 32 C GLY A 4 0.017 -50.601 14.666 1.00 0.00 C ATOM 33 O GLY A 4 -0.756 -50.285 13.763 1.00 0.00 O ATOM 0 H GLY A 4 -0.479 -52.113 17.522 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.762 -52.371 15.647 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.790 -52.591 14.864 1.00 0.00 H new ATOM 37 N SER A 5 1.071 -49.889 15.035 1.00 0.00 N ATOM 38 CA SER A 5 1.399 -48.638 14.372 1.00 0.00 C ATOM 39 C SER A 5 2.579 -48.844 13.420 1.00 0.00 C ATOM 40 O SER A 5 3.702 -49.083 13.861 1.00 0.00 O ATOM 41 CB SER A 5 1.722 -47.543 15.390 1.00 0.00 C ATOM 42 OG SER A 5 0.559 -46.823 15.788 1.00 0.00 O ATOM 0 H SER A 5 1.709 -50.154 15.785 1.00 0.00 H new ATOM 0 HA SER A 5 0.530 -48.317 13.798 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.189 -47.990 16.267 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.447 -46.852 14.961 1.00 0.00 H new ATOM 0 HG SER A 5 0.808 -46.134 16.439 1.00 0.00 H new ATOM 48 N SER A 6 2.284 -48.743 12.132 1.00 0.00 N ATOM 49 CA SER A 6 3.306 -48.914 11.114 1.00 0.00 C ATOM 50 C SER A 6 2.879 -48.218 9.821 1.00 0.00 C ATOM 51 O SER A 6 2.280 -48.841 8.945 1.00 0.00 O ATOM 52 CB SER A 6 3.581 -50.397 10.854 1.00 0.00 C ATOM 53 OG SER A 6 4.436 -50.592 9.731 1.00 0.00 O ATOM 0 H SER A 6 1.351 -48.545 11.770 1.00 0.00 H new ATOM 0 HA SER A 6 4.228 -48.459 11.475 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.037 -50.842 11.739 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.638 -50.917 10.686 1.00 0.00 H new ATOM 0 HG SER A 6 4.589 -51.551 9.599 1.00 0.00 H new ATOM 59 N GLY A 7 3.203 -46.936 9.741 1.00 0.00 N ATOM 60 CA GLY A 7 2.860 -46.149 8.569 1.00 0.00 C ATOM 61 C GLY A 7 3.406 -44.724 8.687 1.00 0.00 C ATOM 62 O GLY A 7 3.341 -44.117 9.755 1.00 0.00 O ATOM 0 H GLY A 7 3.700 -46.422 10.469 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.265 -46.625 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.777 -46.119 8.451 1.00 0.00 H new ATOM 66 N SER A 8 3.930 -44.232 7.574 1.00 0.00 N ATOM 67 CA SER A 8 4.487 -42.890 7.539 1.00 0.00 C ATOM 68 C SER A 8 3.520 -41.941 6.828 1.00 0.00 C ATOM 69 O SER A 8 2.844 -42.335 5.878 1.00 0.00 O ATOM 70 CB SER A 8 5.850 -42.877 6.845 1.00 0.00 C ATOM 71 OG SER A 8 6.281 -41.553 6.539 1.00 0.00 O ATOM 0 H SER A 8 3.981 -44.738 6.690 1.00 0.00 H new ATOM 0 HA SER A 8 4.629 -42.552 8.565 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.588 -43.359 7.486 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.795 -43.462 5.927 1.00 0.00 H new ATOM 0 HG SER A 8 7.156 -41.587 6.098 1.00 0.00 H new ATOM 77 N ARG A 9 3.484 -40.709 7.314 1.00 0.00 N ATOM 78 CA ARG A 9 2.612 -39.701 6.737 1.00 0.00 C ATOM 79 C ARG A 9 2.901 -38.332 7.355 1.00 0.00 C ATOM 80 O ARG A 9 2.331 -37.980 8.386 1.00 0.00 O ATOM 81 CB ARG A 9 1.140 -40.054 6.960 1.00 0.00 C ATOM 82 CG ARG A 9 0.314 -39.784 5.701 1.00 0.00 C ATOM 83 CD ARG A 9 -1.137 -40.233 5.890 1.00 0.00 C ATOM 84 NE ARG A 9 -1.243 -41.696 5.694 1.00 0.00 N ATOM 85 CZ ARG A 9 -2.378 -42.393 5.838 1.00 0.00 C ATOM 86 NH1 ARG A 9 -3.511 -41.764 6.180 1.00 0.00 N ATOM 87 NH2 ARG A 9 -2.381 -43.718 5.640 1.00 0.00 N ATOM 0 H ARG A 9 4.046 -40.386 8.102 1.00 0.00 H new ATOM 0 HA ARG A 9 2.807 -39.667 5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.052 -41.104 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.744 -39.470 7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.341 -38.720 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.754 -40.310 4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.482 -39.966 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.782 -39.715 5.180 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.399 -42.206 5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.509 -40.755 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.375 -42.294 6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.519 -44.197 5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.245 -44.248 5.750 1.00 0.00 H new ATOM 101 N GLN A 10 3.786 -37.597 6.698 1.00 0.00 N ATOM 102 CA GLN A 10 4.157 -36.274 7.170 1.00 0.00 C ATOM 103 C GLN A 10 4.491 -35.362 5.987 1.00 0.00 C ATOM 104 O GLN A 10 4.928 -35.835 4.939 1.00 0.00 O ATOM 105 CB GLN A 10 5.329 -36.350 8.150 1.00 0.00 C ATOM 106 CG GLN A 10 4.943 -35.772 9.513 1.00 0.00 C ATOM 107 CD GLN A 10 5.879 -36.282 10.611 1.00 0.00 C ATOM 108 OE1 GLN A 10 6.761 -37.094 10.382 1.00 0.00 O ATOM 109 NE2 GLN A 10 5.639 -35.763 11.811 1.00 0.00 N ATOM 0 H GLN A 10 4.257 -37.893 5.843 1.00 0.00 H new ATOM 0 HA GLN A 10 3.307 -35.849 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.643 -37.387 8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.181 -35.802 7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.982 -34.683 9.474 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.915 -36.046 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.884 -35.088 11.933 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.209 -36.040 12.610 1.00 0.00 H new ATOM 118 N ALA A 11 4.272 -34.072 6.195 1.00 0.00 N ATOM 119 CA ALA A 11 4.543 -33.090 5.159 1.00 0.00 C ATOM 120 C ALA A 11 5.769 -32.264 5.554 1.00 0.00 C ATOM 121 O ALA A 11 5.992 -32.004 6.735 1.00 0.00 O ATOM 122 CB ALA A 11 3.302 -32.224 4.938 1.00 0.00 C ATOM 0 H ALA A 11 3.910 -33.684 7.066 1.00 0.00 H new ATOM 0 HA ALA A 11 4.768 -33.582 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.506 -31.488 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.468 -32.855 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.046 -31.711 5.865 1.00 0.00 H new ATOM 128 N PRO A 12 6.551 -31.863 4.516 1.00 0.00 N ATOM 129 CA PRO A 12 7.748 -31.072 4.743 1.00 0.00 C ATOM 130 C PRO A 12 7.391 -29.622 5.079 1.00 0.00 C ATOM 131 O PRO A 12 7.667 -28.714 4.296 1.00 0.00 O ATOM 132 CB PRO A 12 8.556 -31.203 3.463 1.00 0.00 C ATOM 133 CG PRO A 12 7.578 -31.676 2.400 1.00 0.00 C ATOM 134 CD PRO A 12 6.318 -32.153 3.104 1.00 0.00 C ATOM 0 HA PRO A 12 8.326 -31.420 5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.004 -30.249 3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.372 -31.915 3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.345 -30.866 1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.015 -32.483 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.435 -31.632 2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.152 -33.218 2.940 1.00 0.00 H new ATOM 142 N ILE A 13 6.783 -29.450 6.244 1.00 0.00 N ATOM 143 CA ILE A 13 6.386 -28.127 6.692 1.00 0.00 C ATOM 144 C ILE A 13 7.082 -27.811 8.017 1.00 0.00 C ATOM 145 O ILE A 13 6.913 -28.533 8.999 1.00 0.00 O ATOM 146 CB ILE A 13 4.861 -28.019 6.758 1.00 0.00 C ATOM 147 CG1 ILE A 13 4.285 -29.002 7.779 1.00 0.00 C ATOM 148 CG2 ILE A 13 4.238 -28.200 5.373 1.00 0.00 C ATOM 149 CD1 ILE A 13 3.792 -28.270 9.028 1.00 0.00 C ATOM 0 H ILE A 13 6.556 -30.205 6.891 1.00 0.00 H new ATOM 0 HA ILE A 13 6.706 -27.371 5.975 1.00 0.00 H new ATOM 0 HB ILE A 13 4.604 -27.016 7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.461 -29.557 7.330 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.046 -29.731 8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.154 -28.119 5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.614 -27.428 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.502 -29.182 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.388 -28.992 9.737 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.623 -27.736 9.488 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.013 -27.560 8.750 1.00 0.00 H new ATOM 161 N ALA A 14 7.852 -26.733 8.003 1.00 0.00 N ATOM 162 CA ALA A 14 8.575 -26.314 9.191 1.00 0.00 C ATOM 163 C ALA A 14 8.581 -24.785 9.267 1.00 0.00 C ATOM 164 O ALA A 14 8.509 -24.109 8.242 1.00 0.00 O ATOM 165 CB ALA A 14 9.988 -26.901 9.164 1.00 0.00 C ATOM 0 H ALA A 14 7.991 -26.137 7.187 1.00 0.00 H new ATOM 0 HA ALA A 14 8.084 -26.688 10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.530 -26.586 10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.930 -27.989 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.512 -26.546 8.277 1.00 0.00 H new ATOM 171 N ASN A 15 8.666 -24.286 10.491 1.00 0.00 N ATOM 172 CA ASN A 15 8.681 -22.850 10.714 1.00 0.00 C ATOM 173 C ASN A 15 10.117 -22.397 10.989 1.00 0.00 C ATOM 174 O ASN A 15 10.899 -23.131 11.591 1.00 0.00 O ATOM 175 CB ASN A 15 7.825 -22.471 11.924 1.00 0.00 C ATOM 176 CG ASN A 15 7.624 -20.956 12.000 1.00 0.00 C ATOM 177 OD1 ASN A 15 6.906 -20.359 11.216 1.00 0.00 O ATOM 178 ND2 ASN A 15 8.297 -20.370 12.987 1.00 0.00 N ATOM 0 H ASN A 15 8.725 -24.850 11.339 1.00 0.00 H new ATOM 0 HA ASN A 15 8.280 -22.366 9.824 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.857 -22.967 11.859 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.303 -22.824 12.837 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.229 -19.361 13.122 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.881 -20.930 13.608 1.00 0.00 H new ATOM 185 N ALA A 16 10.419 -21.189 10.535 1.00 0.00 N ATOM 186 CA ALA A 16 11.746 -20.629 10.726 1.00 0.00 C ATOM 187 C ALA A 16 11.682 -19.521 11.779 1.00 0.00 C ATOM 188 O ALA A 16 10.644 -18.882 11.950 1.00 0.00 O ATOM 189 CB ALA A 16 12.286 -20.128 9.385 1.00 0.00 C ATOM 0 H ALA A 16 9.768 -20.583 10.036 1.00 0.00 H new ATOM 0 HA ALA A 16 12.435 -21.391 11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.282 -19.708 9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.340 -20.959 8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.621 -19.360 8.989 1.00 0.00 H new ATOM 195 N ALA A 17 12.803 -19.327 12.457 1.00 0.00 N ATOM 196 CA ALA A 17 12.887 -18.307 13.488 1.00 0.00 C ATOM 197 C ALA A 17 13.535 -17.050 12.905 1.00 0.00 C ATOM 198 O ALA A 17 14.179 -17.108 11.859 1.00 0.00 O ATOM 199 CB ALA A 17 13.659 -18.857 14.689 1.00 0.00 C ATOM 0 H ALA A 17 13.661 -19.859 12.313 1.00 0.00 H new ATOM 0 HA ALA A 17 11.892 -18.033 13.838 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.722 -18.092 15.463 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.142 -19.731 15.085 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.664 -19.141 14.377 1.00 0.00 H new ATOM 205 N VAL A 18 13.343 -15.943 13.608 1.00 0.00 N ATOM 206 CA VAL A 18 13.901 -14.674 13.172 1.00 0.00 C ATOM 207 C VAL A 18 14.997 -14.242 14.149 1.00 0.00 C ATOM 208 O VAL A 18 14.924 -13.161 14.731 1.00 0.00 O ATOM 209 CB VAL A 18 12.787 -13.635 13.026 1.00 0.00 C ATOM 210 CG1 VAL A 18 13.363 -12.259 12.686 1.00 0.00 C ATOM 211 CG2 VAL A 18 11.761 -14.075 11.980 1.00 0.00 C ATOM 0 H VAL A 18 12.809 -15.899 14.476 1.00 0.00 H new ATOM 0 HA VAL A 18 14.362 -14.777 12.190 1.00 0.00 H new ATOM 0 HB VAL A 18 12.274 -13.556 13.984 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.551 -11.539 12.588 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.037 -11.940 13.481 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.913 -12.317 11.746 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.980 -13.319 11.896 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.254 -14.197 11.015 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.317 -15.023 12.282 1.00 0.00 H new ATOM 221 N LEU A 19 15.987 -15.110 14.299 1.00 0.00 N ATOM 222 CA LEU A 19 17.096 -14.832 15.195 1.00 0.00 C ATOM 223 C LEU A 19 18.195 -14.095 14.426 1.00 0.00 C ATOM 224 O LEU A 19 18.391 -14.334 13.235 1.00 0.00 O ATOM 225 CB LEU A 19 17.575 -16.118 15.871 1.00 0.00 C ATOM 226 CG LEU A 19 16.529 -16.871 16.696 1.00 0.00 C ATOM 227 CD1 LEU A 19 16.492 -18.352 16.313 1.00 0.00 C ATOM 228 CD2 LEU A 19 16.766 -16.672 18.194 1.00 0.00 C ATOM 0 H LEU A 19 16.044 -16.006 13.815 1.00 0.00 H new ATOM 0 HA LEU A 19 16.776 -14.175 16.004 1.00 0.00 H new ATOM 0 HB2 LEU A 19 17.955 -16.790 15.101 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.414 -15.872 16.522 1.00 0.00 H new ATOM 0 HG LEU A 19 15.548 -16.455 16.467 1.00 0.00 H new ATOM 0 HD11 LEU A 19 15.741 -18.865 16.914 1.00 0.00 H new ATOM 0 HD12 LEU A 19 16.240 -18.449 15.257 1.00 0.00 H new ATOM 0 HD13 LEU A 19 17.469 -18.799 16.495 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.009 -17.217 18.758 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.755 -17.046 18.459 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.703 -15.611 18.435 1.00 0.00 H new ATOM 240 N PRO A 20 18.903 -13.193 15.157 1.00 0.00 N ATOM 241 CA PRO A 20 19.977 -12.421 14.556 1.00 0.00 C ATOM 242 C PRO A 20 21.224 -13.283 14.351 1.00 0.00 C ATOM 243 O PRO A 20 22.279 -12.999 14.915 1.00 0.00 O ATOM 244 CB PRO A 20 20.208 -11.260 15.510 1.00 0.00 C ATOM 245 CG PRO A 20 19.582 -11.676 16.832 1.00 0.00 C ATOM 246 CD PRO A 20 18.699 -12.885 16.570 1.00 0.00 C ATOM 0 HA PRO A 20 19.727 -12.057 13.559 1.00 0.00 H new ATOM 0 HB2 PRO A 20 21.272 -11.058 15.628 1.00 0.00 H new ATOM 0 HB3 PRO A 20 19.750 -10.346 15.131 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.355 -11.919 17.561 1.00 0.00 H new ATOM 0 HG3 PRO A 20 18.995 -10.858 17.250 1.00 0.00 H new ATOM 0 HD2 PRO A 20 18.981 -13.726 17.203 1.00 0.00 H new ATOM 0 HD3 PRO A 20 17.653 -12.664 16.780 1.00 0.00 H new ATOM 254 N GLN A 21 21.061 -14.319 13.542 1.00 0.00 N ATOM 255 CA GLN A 21 22.160 -15.225 13.255 1.00 0.00 C ATOM 256 C GLN A 21 21.671 -16.401 12.406 1.00 0.00 C ATOM 257 O GLN A 21 21.525 -17.514 12.908 1.00 0.00 O ATOM 258 CB GLN A 21 22.817 -15.717 14.546 1.00 0.00 C ATOM 259 CG GLN A 21 24.205 -15.098 14.725 1.00 0.00 C ATOM 260 CD GLN A 21 25.303 -16.137 14.487 1.00 0.00 C ATOM 261 OE1 GLN A 21 25.529 -17.033 15.285 1.00 0.00 O ATOM 262 NE2 GLN A 21 25.970 -15.968 13.349 1.00 0.00 N ATOM 0 H GLN A 21 20.184 -14.551 13.076 1.00 0.00 H new ATOM 0 HA GLN A 21 22.914 -14.681 12.687 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.188 -15.461 15.399 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.899 -16.804 14.525 1.00 0.00 H new ATOM 0 HG2 GLN A 21 24.329 -14.267 14.031 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.298 -14.689 15.731 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.729 -15.197 12.726 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.722 -16.610 13.099 1.00 0.00 H new ATOM 271 N SER A 22 21.432 -16.113 11.135 1.00 0.00 N ATOM 272 CA SER A 22 20.963 -17.133 10.213 1.00 0.00 C ATOM 273 C SER A 22 20.768 -16.529 8.821 1.00 0.00 C ATOM 274 O SER A 22 20.605 -15.317 8.683 1.00 0.00 O ATOM 275 CB SER A 22 19.660 -17.764 10.705 1.00 0.00 C ATOM 276 OG SER A 22 19.517 -19.110 10.261 1.00 0.00 O ATOM 0 H SER A 22 21.554 -15.188 10.722 1.00 0.00 H new ATOM 0 HA SER A 22 21.717 -17.918 10.160 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.633 -17.737 11.794 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.815 -17.174 10.350 1.00 0.00 H new ATOM 0 HG SER A 22 18.673 -19.478 10.598 1.00 0.00 H new ATOM 282 N GLN A 23 20.790 -17.401 7.823 1.00 0.00 N ATOM 283 CA GLN A 23 20.617 -16.969 6.447 1.00 0.00 C ATOM 284 C GLN A 23 19.134 -16.756 6.140 1.00 0.00 C ATOM 285 O GLN A 23 18.513 -17.573 5.461 1.00 0.00 O ATOM 286 CB GLN A 23 21.240 -17.972 5.475 1.00 0.00 C ATOM 287 CG GLN A 23 22.708 -17.635 5.204 1.00 0.00 C ATOM 288 CD GLN A 23 23.631 -18.724 5.754 1.00 0.00 C ATOM 289 OE1 GLN A 23 23.521 -19.152 6.891 1.00 0.00 O ATOM 290 NE2 GLN A 23 24.545 -19.148 4.885 1.00 0.00 N ATOM 0 H GLN A 23 20.925 -18.405 7.941 1.00 0.00 H new ATOM 0 HA GLN A 23 21.135 -16.019 6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 23 21.164 -18.978 5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.684 -17.969 4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 23 22.868 -17.526 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 23 22.956 -16.678 5.662 1.00 0.00 H new ATOM 0 HE21 GLN A 23 24.582 -18.747 3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 23 25.208 -19.874 5.156 1.00 0.00 H new ATOM 299 N GLY A 24 18.608 -15.654 6.655 1.00 0.00 N ATOM 300 CA GLY A 24 17.208 -15.324 6.444 1.00 0.00 C ATOM 301 C GLY A 24 16.991 -13.810 6.481 1.00 0.00 C ATOM 302 O GLY A 24 17.656 -13.102 7.236 1.00 0.00 O ATOM 0 H GLY A 24 19.126 -14.979 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.878 -15.719 5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.598 -15.801 7.211 1.00 0.00 H new ATOM 306 N ARG A 25 16.058 -13.358 5.656 1.00 0.00 N ATOM 307 CA ARG A 25 15.744 -11.941 5.585 1.00 0.00 C ATOM 308 C ARG A 25 14.762 -11.558 6.694 1.00 0.00 C ATOM 309 O ARG A 25 13.959 -12.383 7.128 1.00 0.00 O ATOM 310 CB ARG A 25 15.138 -11.578 4.228 1.00 0.00 C ATOM 311 CG ARG A 25 16.120 -10.758 3.390 1.00 0.00 C ATOM 312 CD ARG A 25 15.417 -9.574 2.723 1.00 0.00 C ATOM 313 NE ARG A 25 16.017 -9.311 1.396 1.00 0.00 N ATOM 314 CZ ARG A 25 15.407 -8.628 0.418 1.00 0.00 C ATOM 315 NH1 ARG A 25 14.176 -8.135 0.612 1.00 0.00 N ATOM 316 NH2 ARG A 25 16.027 -8.437 -0.754 1.00 0.00 N ATOM 0 H ARG A 25 15.509 -13.948 5.031 1.00 0.00 H new ATOM 0 HA ARG A 25 16.675 -11.389 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.868 -12.488 3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.219 -11.011 4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.929 -10.395 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 25 16.572 -11.393 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 25 14.353 -9.786 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.503 -8.688 3.352 1.00 0.00 H new ATOM 0 HE ARG A 25 16.953 -9.672 1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.703 -8.280 1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.712 -7.615 -0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.964 -8.812 -0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.562 -7.917 -1.498 1.00 0.00 H new ATOM 330 N VAL A 26 14.857 -10.307 7.119 1.00 0.00 N ATOM 331 CA VAL A 26 13.986 -9.805 8.169 1.00 0.00 C ATOM 332 C VAL A 26 12.600 -9.524 7.585 1.00 0.00 C ATOM 333 O VAL A 26 12.464 -9.294 6.384 1.00 0.00 O ATOM 334 CB VAL A 26 14.617 -8.578 8.829 1.00 0.00 C ATOM 335 CG1 VAL A 26 15.115 -7.584 7.777 1.00 0.00 C ATOM 336 CG2 VAL A 26 13.635 -7.909 9.794 1.00 0.00 C ATOM 0 H VAL A 26 15.524 -9.626 6.756 1.00 0.00 H new ATOM 0 HA VAL A 26 13.863 -10.552 8.953 1.00 0.00 H new ATOM 0 HB VAL A 26 15.478 -8.914 9.406 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.559 -6.721 8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.863 -8.065 7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.278 -7.257 7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.108 -7.039 10.250 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.746 -7.594 9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.350 -8.617 10.572 1.00 0.00 H new ATOM 346 N ALA A 27 11.607 -9.553 8.461 1.00 0.00 N ATOM 347 CA ALA A 27 10.236 -9.305 8.047 1.00 0.00 C ATOM 348 C ALA A 27 9.809 -7.915 8.523 1.00 0.00 C ATOM 349 O ALA A 27 10.296 -7.427 9.542 1.00 0.00 O ATOM 350 CB ALA A 27 9.330 -10.411 8.591 1.00 0.00 C ATOM 0 H ALA A 27 11.724 -9.744 9.456 1.00 0.00 H new ATOM 0 HA ALA A 27 10.154 -9.322 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.302 -10.225 8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.658 -11.375 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.384 -10.423 9.680 1.00 0.00 H new ATOM 356 N ALA A 28 8.903 -7.317 7.763 1.00 0.00 N ATOM 357 CA ALA A 28 8.404 -5.993 8.095 1.00 0.00 C ATOM 358 C ALA A 28 9.586 -5.065 8.385 1.00 0.00 C ATOM 359 O ALA A 28 9.995 -4.916 9.535 1.00 0.00 O ATOM 360 CB ALA A 28 7.438 -6.092 9.277 1.00 0.00 C ATOM 0 H ALA A 28 8.502 -7.725 6.919 1.00 0.00 H new ATOM 0 HA ALA A 28 7.851 -5.571 7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.064 -5.099 9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.602 -6.738 9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.959 -6.510 10.139 1.00 0.00 H new ATOM 366 N SER A 29 10.101 -4.466 7.321 1.00 0.00 N ATOM 367 CA SER A 29 11.228 -3.557 7.447 1.00 0.00 C ATOM 368 C SER A 29 10.728 -2.114 7.535 1.00 0.00 C ATOM 369 O SER A 29 9.809 -1.726 6.815 1.00 0.00 O ATOM 370 CB SER A 29 12.195 -3.713 6.272 1.00 0.00 C ATOM 371 OG SER A 29 12.512 -5.079 6.019 1.00 0.00 O ATOM 0 H SER A 29 9.759 -4.592 6.368 1.00 0.00 H new ATOM 0 HA SER A 29 11.767 -3.805 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.754 -3.272 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.111 -3.161 6.481 1.00 0.00 H new ATOM 0 HG SER A 29 11.712 -5.547 5.701 1.00 0.00 H new ATOM 377 N GLU A 30 11.356 -1.357 8.424 1.00 0.00 N ATOM 378 CA GLU A 30 10.986 0.035 8.615 1.00 0.00 C ATOM 379 C GLU A 30 10.797 0.725 7.263 1.00 0.00 C ATOM 380 O GLU A 30 9.813 1.434 7.056 1.00 0.00 O ATOM 381 CB GLU A 30 12.028 0.767 9.463 1.00 0.00 C ATOM 382 CG GLU A 30 11.495 1.040 10.871 1.00 0.00 C ATOM 383 CD GLU A 30 11.787 -0.135 11.806 1.00 0.00 C ATOM 384 OE1 GLU A 30 11.481 -1.276 11.396 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.310 0.133 12.909 1.00 0.00 O ATOM 0 H GLU A 30 12.118 -1.682 9.019 1.00 0.00 H new ATOM 0 HA GLU A 30 10.039 0.068 9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.937 0.169 9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.297 1.708 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.952 1.947 11.267 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.420 1.217 10.829 1.00 0.00 H new ATOM 392 N GLU A 31 11.755 0.493 6.377 1.00 0.00 N ATOM 393 CA GLU A 31 11.706 1.084 5.051 1.00 0.00 C ATOM 394 C GLU A 31 10.325 0.873 4.426 1.00 0.00 C ATOM 395 O GLU A 31 9.924 1.617 3.533 1.00 0.00 O ATOM 396 CB GLU A 31 12.806 0.510 4.155 1.00 0.00 C ATOM 397 CG GLU A 31 13.990 1.474 4.055 1.00 0.00 C ATOM 398 CD GLU A 31 14.587 1.465 2.646 1.00 0.00 C ATOM 399 OE1 GLU A 31 15.213 0.438 2.302 1.00 0.00 O ATOM 400 OE2 GLU A 31 14.406 2.484 1.946 1.00 0.00 O ATOM 0 H GLU A 31 12.569 -0.096 6.552 1.00 0.00 H new ATOM 0 HA GLU A 31 11.881 2.156 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.144 -0.446 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.405 0.316 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.665 2.483 4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.754 1.193 4.780 1.00 0.00 H new ATOM 407 N GLN A 32 9.635 -0.144 4.922 1.00 0.00 N ATOM 408 CA GLN A 32 8.308 -0.461 4.424 1.00 0.00 C ATOM 409 C GLN A 32 7.242 0.224 5.282 1.00 0.00 C ATOM 410 O GLN A 32 6.297 0.809 4.754 1.00 0.00 O ATOM 411 CB GLN A 32 8.087 -1.974 4.379 1.00 0.00 C ATOM 412 CG GLN A 32 9.345 -2.698 3.898 1.00 0.00 C ATOM 413 CD GLN A 32 9.511 -2.562 2.383 1.00 0.00 C ATOM 414 OE1 GLN A 32 9.857 -1.341 1.985 1.00 0.00 O flip ATOM 415 NE2 GLN A 32 9.337 -3.502 1.626 1.00 0.00 N flip ATOM 0 H GLN A 32 9.970 -0.759 5.664 1.00 0.00 H new ATOM 0 HA GLN A 32 8.223 -0.084 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.812 -2.335 5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.254 -2.204 3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.220 -2.287 4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.288 -3.753 4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.072 -4.414 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.456 -3.376 0.621 1.00 0.00 H new ATOM 424 N ILE A 33 7.428 0.127 6.590 1.00 0.00 N ATOM 425 CA ILE A 33 6.494 0.729 7.526 1.00 0.00 C ATOM 426 C ILE A 33 6.350 2.219 7.208 1.00 0.00 C ATOM 427 O ILE A 33 5.240 2.749 7.192 1.00 0.00 O ATOM 428 CB ILE A 33 6.922 0.447 8.967 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.660 -1.013 9.342 1.00 0.00 C ATOM 430 CG2 ILE A 33 6.249 1.418 9.939 1.00 0.00 C ATOM 431 CD1 ILE A 33 6.845 -1.931 8.132 1.00 0.00 C ATOM 0 H ILE A 33 8.212 -0.360 7.024 1.00 0.00 H new ATOM 0 HA ILE A 33 5.506 0.282 7.418 1.00 0.00 H new ATOM 0 HB ILE A 33 7.997 0.610 9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.339 -1.315 10.139 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.647 -1.116 9.730 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.570 1.196 10.956 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.530 2.440 9.685 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.167 1.311 9.869 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.653 -2.963 8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.148 -1.642 7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.866 -1.843 7.762 1.00 0.00 H new ATOM 443 N GLN A 34 7.487 2.852 6.962 1.00 0.00 N ATOM 444 CA GLN A 34 7.501 4.270 6.645 1.00 0.00 C ATOM 445 C GLN A 34 6.899 4.510 5.259 1.00 0.00 C ATOM 446 O GLN A 34 5.973 5.306 5.110 1.00 0.00 O ATOM 447 CB GLN A 34 8.920 4.837 6.732 1.00 0.00 C ATOM 448 CG GLN A 34 9.462 4.740 8.159 1.00 0.00 C ATOM 449 CD GLN A 34 8.786 5.764 9.074 1.00 0.00 C ATOM 450 OE1 GLN A 34 8.454 6.868 8.674 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.602 5.338 10.320 1.00 0.00 N ATOM 0 H GLN A 34 8.406 2.409 6.976 1.00 0.00 H new ATOM 0 HA GLN A 34 6.890 4.793 7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.575 4.292 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.920 5.878 6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.296 3.735 8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.539 4.906 8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.904 4.401 10.589 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.159 5.948 11.007 1.00 0.00 H new ATOM 460 N LYS A 35 7.450 3.808 4.280 1.00 0.00 N ATOM 461 CA LYS A 35 6.978 3.935 2.911 1.00 0.00 C ATOM 462 C LYS A 35 5.452 3.835 2.891 1.00 0.00 C ATOM 463 O LYS A 35 4.804 4.360 1.986 1.00 0.00 O ATOM 464 CB LYS A 35 7.673 2.913 2.009 1.00 0.00 C ATOM 465 CG LYS A 35 8.873 3.539 1.295 1.00 0.00 C ATOM 466 CD LYS A 35 9.842 2.461 0.805 1.00 0.00 C ATOM 467 CE LYS A 35 9.676 2.215 -0.696 1.00 0.00 C ATOM 468 NZ LYS A 35 10.697 2.965 -1.460 1.00 0.00 N ATOM 0 H LYS A 35 8.219 3.150 4.407 1.00 0.00 H new ATOM 0 HA LYS A 35 7.239 4.913 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.003 2.062 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.965 2.532 1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.528 4.134 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.391 4.218 1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.867 2.766 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.666 1.534 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.765 1.149 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.679 2.521 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.570 2.787 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.594 3.983 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.646 2.654 -1.170 1.00 0.00 H new ATOM 482 N LEU A 36 4.921 3.160 3.900 1.00 0.00 N ATOM 483 CA LEU A 36 3.483 2.985 4.009 1.00 0.00 C ATOM 484 C LEU A 36 2.916 4.039 4.962 1.00 0.00 C ATOM 485 O LEU A 36 1.979 4.756 4.614 1.00 0.00 O ATOM 486 CB LEU A 36 3.146 1.548 4.412 1.00 0.00 C ATOM 487 CG LEU A 36 3.597 0.456 3.440 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.329 -0.936 4.016 1.00 0.00 C ATOM 489 CD2 LEU A 36 2.948 0.642 2.067 1.00 0.00 C ATOM 0 H LEU A 36 5.461 2.728 4.649 1.00 0.00 H new ATOM 0 HA LEU A 36 3.007 3.140 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.596 1.349 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.066 1.471 4.539 1.00 0.00 H new ATOM 0 HG LEU A 36 4.675 0.546 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.659 -1.694 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.875 -1.054 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.261 -1.053 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.285 -0.147 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.864 0.594 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.232 1.612 1.659 1.00 0.00 H new ATOM 501 N VAL A 37 3.509 4.101 6.145 1.00 0.00 N ATOM 502 CA VAL A 37 3.075 5.056 7.151 1.00 0.00 C ATOM 503 C VAL A 37 3.045 6.457 6.538 1.00 0.00 C ATOM 504 O VAL A 37 2.194 7.274 6.888 1.00 0.00 O ATOM 505 CB VAL A 37 3.976 4.962 8.384 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.770 6.166 9.306 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.741 3.650 9.135 1.00 0.00 C ATOM 0 H VAL A 37 4.287 3.505 6.430 1.00 0.00 H new ATOM 0 HA VAL A 37 2.063 4.826 7.486 1.00 0.00 H new ATOM 0 HB VAL A 37 5.012 4.973 8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.422 6.075 10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.010 7.082 8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.731 6.199 9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.394 3.608 10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.701 3.596 9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.961 2.810 8.477 1.00 0.00 H new ATOM 517 N ALA A 38 3.985 6.693 5.634 1.00 0.00 N ATOM 518 CA ALA A 38 4.077 7.982 4.969 1.00 0.00 C ATOM 519 C ALA A 38 2.872 8.160 4.042 1.00 0.00 C ATOM 520 O ALA A 38 2.350 9.265 3.902 1.00 0.00 O ATOM 521 CB ALA A 38 5.407 8.076 4.220 1.00 0.00 C ATOM 0 H ALA A 38 4.689 6.014 5.347 1.00 0.00 H new ATOM 0 HA ALA A 38 4.055 8.792 5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.476 9.043 3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.231 7.973 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.464 7.280 3.478 1.00 0.00 H new ATOM 527 N MET A 39 2.467 7.055 3.432 1.00 0.00 N ATOM 528 CA MET A 39 1.334 7.076 2.523 1.00 0.00 C ATOM 529 C MET A 39 0.041 7.419 3.266 1.00 0.00 C ATOM 530 O MET A 39 -0.993 7.657 2.643 1.00 0.00 O ATOM 531 CB MET A 39 1.191 5.707 1.854 1.00 0.00 C ATOM 532 CG MET A 39 2.408 5.394 0.981 1.00 0.00 C ATOM 533 SD MET A 39 1.986 5.582 -0.743 1.00 0.00 S ATOM 534 CE MET A 39 2.385 3.947 -1.340 1.00 0.00 C ATOM 0 H MET A 39 2.903 6.140 3.550 1.00 0.00 H new ATOM 0 HA MET A 39 1.511 7.842 1.769 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.078 4.936 2.616 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.287 5.689 1.245 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.231 6.061 1.237 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.751 4.377 1.171 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.179 3.890 -2.409 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.441 3.742 -1.162 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.779 3.210 -0.814 1.00 0.00 H new ATOM 544 N GLY A 40 0.140 7.432 4.587 1.00 0.00 N ATOM 545 CA GLY A 40 -1.008 7.741 5.421 1.00 0.00 C ATOM 546 C GLY A 40 -1.668 6.463 5.942 1.00 0.00 C ATOM 547 O GLY A 40 -2.893 6.382 6.026 1.00 0.00 O ATOM 0 H GLY A 40 0.999 7.233 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.695 8.361 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.732 8.321 4.849 1.00 0.00 H new ATOM 551 N PHE A 41 -0.827 5.496 6.280 1.00 0.00 N ATOM 552 CA PHE A 41 -1.313 4.226 6.791 1.00 0.00 C ATOM 553 C PHE A 41 -0.975 4.066 8.274 1.00 0.00 C ATOM 554 O PHE A 41 -0.152 4.807 8.810 1.00 0.00 O ATOM 555 CB PHE A 41 -0.606 3.125 5.997 1.00 0.00 C ATOM 556 CG PHE A 41 -1.287 2.779 4.671 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.641 2.670 4.610 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.538 2.580 3.554 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.273 2.348 3.380 1.00 0.00 C ATOM 560 CE2 PHE A 41 -1.169 2.259 2.323 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.524 2.150 2.262 1.00 0.00 C ATOM 0 H PHE A 41 0.188 5.567 6.210 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.397 4.172 6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.419 3.437 5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.552 2.226 6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.236 2.828 5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.537 2.666 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.348 2.260 3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.574 2.101 1.436 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.005 1.906 1.326 1.00 0.00 H new ATOM 571 N ASP A 42 -1.628 3.095 8.896 1.00 0.00 N ATOM 572 CA ASP A 42 -1.407 2.829 10.307 1.00 0.00 C ATOM 573 C ASP A 42 -0.291 1.793 10.457 1.00 0.00 C ATOM 574 O ASP A 42 -0.342 0.727 9.845 1.00 0.00 O ATOM 575 CB ASP A 42 -2.667 2.265 10.965 1.00 0.00 C ATOM 576 CG ASP A 42 -2.890 2.699 12.415 1.00 0.00 C ATOM 577 OD1 ASP A 42 -2.145 3.601 12.857 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.799 2.120 13.048 1.00 0.00 O ATOM 0 H ASP A 42 -2.310 2.483 8.448 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.138 3.769 10.789 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.532 2.566 10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.620 1.177 10.931 1.00 0.00 H new ATOM 583 N ARG A 43 0.691 2.142 11.275 1.00 0.00 N ATOM 584 CA ARG A 43 1.817 1.255 11.514 1.00 0.00 C ATOM 585 C ARG A 43 1.331 -0.184 11.697 1.00 0.00 C ATOM 586 O ARG A 43 1.863 -1.106 11.081 1.00 0.00 O ATOM 587 CB ARG A 43 2.602 1.683 12.756 1.00 0.00 C ATOM 588 CG ARG A 43 3.872 0.846 12.917 1.00 0.00 C ATOM 589 CD ARG A 43 4.948 1.624 13.677 1.00 0.00 C ATOM 590 NE ARG A 43 6.267 0.978 13.491 1.00 0.00 N ATOM 591 CZ ARG A 43 7.392 1.379 14.098 1.00 0.00 C ATOM 592 NH1 ARG A 43 7.366 2.427 14.933 1.00 0.00 N ATOM 593 NH2 ARG A 43 8.544 0.733 13.869 1.00 0.00 N ATOM 0 H ARG A 43 0.730 3.027 11.781 1.00 0.00 H new ATOM 0 HA ARG A 43 2.473 1.312 10.646 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.865 2.738 12.679 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.976 1.574 13.642 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.639 -0.076 13.450 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.250 0.560 11.936 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.984 2.653 13.320 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.699 1.663 14.738 1.00 0.00 H new ATOM 0 HE ARG A 43 6.323 0.178 12.861 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.490 2.919 15.106 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.223 2.732 15.395 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.564 -0.064 13.233 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.401 1.038 14.331 1.00 0.00 H new ATOM 607 N THR A 44 0.325 -0.331 12.546 1.00 0.00 N ATOM 608 CA THR A 44 -0.239 -1.642 12.818 1.00 0.00 C ATOM 609 C THR A 44 -0.604 -2.347 11.510 1.00 0.00 C ATOM 610 O THR A 44 -0.057 -3.404 11.197 1.00 0.00 O ATOM 611 CB THR A 44 -1.430 -1.458 13.761 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.866 -0.842 14.916 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.977 -2.790 14.279 1.00 0.00 C ATOM 0 H THR A 44 -0.114 0.436 13.055 1.00 0.00 H new ATOM 0 HA THR A 44 0.486 -2.290 13.309 1.00 0.00 H new ATOM 0 HB THR A 44 -2.222 -0.916 13.244 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.570 -0.685 15.579 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.821 -2.603 14.944 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.306 -3.400 13.438 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.195 -3.317 14.825 1.00 0.00 H new ATOM 621 N GLN A 45 -1.526 -1.734 10.781 1.00 0.00 N ATOM 622 CA GLN A 45 -1.970 -2.290 9.514 1.00 0.00 C ATOM 623 C GLN A 45 -0.769 -2.764 8.692 1.00 0.00 C ATOM 624 O GLN A 45 -0.734 -3.906 8.239 1.00 0.00 O ATOM 625 CB GLN A 45 -2.803 -1.274 8.732 1.00 0.00 C ATOM 626 CG GLN A 45 -4.067 -0.889 9.505 1.00 0.00 C ATOM 627 CD GLN A 45 -5.167 -1.935 9.312 1.00 0.00 C ATOM 628 OE1 GLN A 45 -4.937 -3.132 9.366 1.00 0.00 O ATOM 629 NE2 GLN A 45 -6.371 -1.418 9.086 1.00 0.00 N ATOM 0 H GLN A 45 -1.977 -0.858 11.044 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.606 -3.151 9.720 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.206 -0.383 8.537 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.078 -1.692 7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.834 -0.792 10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.422 0.084 9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.494 -0.406 9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.172 -2.033 8.945 1.00 0.00 H new ATOM 638 N VAL A 46 0.186 -1.861 8.525 1.00 0.00 N ATOM 639 CA VAL A 46 1.385 -2.171 7.766 1.00 0.00 C ATOM 640 C VAL A 46 2.028 -3.440 8.332 1.00 0.00 C ATOM 641 O VAL A 46 2.132 -4.450 7.638 1.00 0.00 O ATOM 642 CB VAL A 46 2.332 -0.970 7.768 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.570 -1.245 6.912 1.00 0.00 C ATOM 644 CG2 VAL A 46 1.612 0.297 7.301 1.00 0.00 C ATOM 0 H VAL A 46 0.153 -0.914 8.903 1.00 0.00 H new ATOM 0 HA VAL A 46 1.136 -2.369 6.724 1.00 0.00 H new ATOM 0 HB VAL A 46 2.664 -0.808 8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.226 -0.375 6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.102 -2.109 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.265 -1.447 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.308 1.136 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.237 0.150 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.778 0.509 7.970 1.00 0.00 H new ATOM 654 N GLU A 47 2.442 -3.346 9.587 1.00 0.00 N ATOM 655 CA GLU A 47 3.071 -4.473 10.254 1.00 0.00 C ATOM 656 C GLU A 47 2.289 -5.758 9.976 1.00 0.00 C ATOM 657 O GLU A 47 2.853 -6.742 9.498 1.00 0.00 O ATOM 658 CB GLU A 47 3.195 -4.221 11.758 1.00 0.00 C ATOM 659 CG GLU A 47 4.147 -3.058 12.042 1.00 0.00 C ATOM 660 CD GLU A 47 4.418 -2.925 13.542 1.00 0.00 C ATOM 661 OE1 GLU A 47 3.485 -3.231 14.317 1.00 0.00 O ATOM 662 OE2 GLU A 47 5.551 -2.521 13.880 1.00 0.00 O ATOM 0 H GLU A 47 2.354 -2.506 10.160 1.00 0.00 H new ATOM 0 HA GLU A 47 4.078 -4.590 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.212 -4.002 12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.558 -5.122 12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.086 -3.214 11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.717 -2.131 11.663 1.00 0.00 H new ATOM 669 N VAL A 48 1.001 -5.709 10.286 1.00 0.00 N ATOM 670 CA VAL A 48 0.136 -6.857 10.076 1.00 0.00 C ATOM 671 C VAL A 48 0.199 -7.275 8.606 1.00 0.00 C ATOM 672 O VAL A 48 0.206 -8.465 8.295 1.00 0.00 O ATOM 673 CB VAL A 48 -1.284 -6.535 10.545 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.233 -7.701 10.262 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.300 -6.162 12.029 1.00 0.00 C ATOM 0 H VAL A 48 0.536 -4.892 10.681 1.00 0.00 H new ATOM 0 HA VAL A 48 0.476 -7.705 10.670 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.636 -5.672 9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.236 -7.446 10.605 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.256 -7.900 9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.885 -8.590 10.788 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.321 -5.938 12.337 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.918 -6.996 12.618 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.672 -5.286 12.191 1.00 0.00 H new ATOM 685 N ALA A 49 0.245 -6.273 7.740 1.00 0.00 N ATOM 686 CA ALA A 49 0.308 -6.522 6.310 1.00 0.00 C ATOM 687 C ALA A 49 1.642 -7.190 5.971 1.00 0.00 C ATOM 688 O ALA A 49 1.669 -8.328 5.505 1.00 0.00 O ATOM 689 CB ALA A 49 0.105 -5.208 5.553 1.00 0.00 C ATOM 0 H ALA A 49 0.240 -5.287 8.001 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.488 -7.201 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.152 -5.395 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.869 -4.789 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.887 -4.502 5.833 1.00 0.00 H new ATOM 695 N LEU A 50 2.715 -6.454 6.217 1.00 0.00 N ATOM 696 CA LEU A 50 4.049 -6.961 5.944 1.00 0.00 C ATOM 697 C LEU A 50 4.111 -8.445 6.309 1.00 0.00 C ATOM 698 O LEU A 50 4.726 -9.238 5.598 1.00 0.00 O ATOM 699 CB LEU A 50 5.102 -6.109 6.655 1.00 0.00 C ATOM 700 CG LEU A 50 5.498 -4.808 5.953 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.620 -5.051 4.941 1.00 0.00 C ATOM 702 CD2 LEU A 50 4.281 -4.140 5.310 1.00 0.00 C ATOM 0 H LEU A 50 2.688 -5.510 6.603 1.00 0.00 H new ATOM 0 HA LEU A 50 4.275 -6.884 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.731 -5.863 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.999 -6.713 6.790 1.00 0.00 H new ATOM 0 HG LEU A 50 5.885 -4.119 6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.883 -4.111 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.494 -5.450 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.284 -5.765 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.590 -3.218 4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.842 -4.814 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.543 -3.911 6.079 1.00 0.00 H new ATOM 714 N ALA A 51 3.465 -8.777 7.418 1.00 0.00 N ATOM 715 CA ALA A 51 3.439 -10.152 7.886 1.00 0.00 C ATOM 716 C ALA A 51 2.858 -11.048 6.790 1.00 0.00 C ATOM 717 O ALA A 51 3.484 -12.027 6.388 1.00 0.00 O ATOM 718 CB ALA A 51 2.641 -10.232 9.189 1.00 0.00 C ATOM 0 H ALA A 51 2.956 -8.117 8.006 1.00 0.00 H new ATOM 0 HA ALA A 51 4.448 -10.505 8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.621 -11.264 9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.111 -9.601 9.943 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.621 -9.889 9.013 1.00 0.00 H new ATOM 724 N ALA A 52 1.668 -10.681 6.339 1.00 0.00 N ATOM 725 CA ALA A 52 0.996 -11.439 5.298 1.00 0.00 C ATOM 726 C ALA A 52 1.636 -11.120 3.945 1.00 0.00 C ATOM 727 O ALA A 52 1.370 -11.795 2.953 1.00 0.00 O ATOM 728 CB ALA A 52 -0.502 -11.125 5.322 1.00 0.00 C ATOM 0 H ALA A 52 1.152 -9.868 6.676 1.00 0.00 H new ATOM 0 HA ALA A 52 1.108 -12.509 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.006 -11.694 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.915 -11.398 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.653 -10.059 5.149 1.00 0.00 H new ATOM 734 N ALA A 53 2.469 -10.089 3.950 1.00 0.00 N ATOM 735 CA ALA A 53 3.150 -9.672 2.736 1.00 0.00 C ATOM 736 C ALA A 53 4.432 -10.489 2.569 1.00 0.00 C ATOM 737 O ALA A 53 4.846 -10.779 1.447 1.00 0.00 O ATOM 738 CB ALA A 53 3.421 -8.167 2.794 1.00 0.00 C ATOM 0 H ALA A 53 2.687 -9.531 4.775 1.00 0.00 H new ATOM 0 HA ALA A 53 2.525 -9.858 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.932 -7.854 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.476 -7.630 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.048 -7.943 3.657 1.00 0.00 H new ATOM 744 N ASP A 54 5.025 -10.838 3.701 1.00 0.00 N ATOM 745 CA ASP A 54 6.252 -11.617 3.694 1.00 0.00 C ATOM 746 C ASP A 54 7.443 -10.682 3.474 1.00 0.00 C ATOM 747 O ASP A 54 8.450 -11.080 2.891 1.00 0.00 O ATOM 748 CB ASP A 54 6.244 -12.647 2.563 1.00 0.00 C ATOM 749 CG ASP A 54 7.041 -13.922 2.844 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.203 -14.238 4.043 1.00 0.00 O ATOM 751 OD2 ASP A 54 7.471 -14.553 1.854 1.00 0.00 O ATOM 0 H ASP A 54 4.679 -10.596 4.629 1.00 0.00 H new ATOM 0 HA ASP A 54 6.329 -12.133 4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.211 -12.922 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.642 -12.179 1.663 1.00 0.00 H new ATOM 756 N ASP A 55 7.288 -9.456 3.952 1.00 0.00 N ATOM 757 CA ASP A 55 8.338 -8.461 3.814 1.00 0.00 C ATOM 758 C ASP A 55 8.273 -7.847 2.414 1.00 0.00 C ATOM 759 O ASP A 55 9.269 -7.326 1.914 1.00 0.00 O ATOM 760 CB ASP A 55 9.721 -9.092 3.990 1.00 0.00 C ATOM 761 CG ASP A 55 10.806 -8.141 4.499 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.467 -7.307 5.366 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.949 -8.270 4.010 1.00 0.00 O ATOM 0 H ASP A 55 6.451 -9.129 4.435 1.00 0.00 H new ATOM 0 HA ASP A 55 8.187 -7.703 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.637 -9.928 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.040 -9.504 3.033 1.00 0.00 H new ATOM 768 N ASP A 56 7.091 -7.928 1.822 1.00 0.00 N ATOM 769 CA ASP A 56 6.883 -7.387 0.489 1.00 0.00 C ATOM 770 C ASP A 56 6.058 -6.102 0.589 1.00 0.00 C ATOM 771 O ASP A 56 5.026 -6.072 1.258 1.00 0.00 O ATOM 772 CB ASP A 56 6.116 -8.374 -0.392 1.00 0.00 C ATOM 773 CG ASP A 56 6.915 -8.953 -1.561 1.00 0.00 C ATOM 774 OD1 ASP A 56 6.911 -8.303 -2.629 1.00 0.00 O ATOM 775 OD2 ASP A 56 7.512 -10.033 -1.361 1.00 0.00 O ATOM 0 H ASP A 56 6.267 -8.360 2.240 1.00 0.00 H new ATOM 0 HA ASP A 56 7.860 -7.193 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.764 -9.196 0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.232 -7.874 -0.788 1.00 0.00 H new ATOM 780 N LEU A 57 6.544 -5.071 -0.087 1.00 0.00 N ATOM 781 CA LEU A 57 5.865 -3.786 -0.083 1.00 0.00 C ATOM 782 C LEU A 57 4.719 -3.817 -1.096 1.00 0.00 C ATOM 783 O LEU A 57 3.553 -3.700 -0.723 1.00 0.00 O ATOM 784 CB LEU A 57 6.864 -2.652 -0.318 1.00 0.00 C ATOM 785 CG LEU A 57 6.383 -1.247 0.052 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.277 -1.307 1.107 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.552 -0.366 0.497 1.00 0.00 C ATOM 0 H LEU A 57 7.400 -5.099 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 57 5.422 -3.592 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.768 -2.867 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.144 -2.653 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 57 5.955 -0.787 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.953 -0.296 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.432 -1.874 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.657 -1.794 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.182 0.627 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.032 -0.811 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.276 -0.285 -0.314 1.00 0.00 H new ATOM 799 N THR A 58 5.092 -3.976 -2.358 1.00 0.00 N ATOM 800 CA THR A 58 4.110 -4.024 -3.427 1.00 0.00 C ATOM 801 C THR A 58 2.900 -4.860 -3.004 1.00 0.00 C ATOM 802 O THR A 58 1.777 -4.594 -3.430 1.00 0.00 O ATOM 803 CB THR A 58 4.804 -4.552 -4.684 1.00 0.00 C ATOM 804 OG1 THR A 58 5.560 -3.440 -5.157 1.00 0.00 O ATOM 805 CG2 THR A 58 3.820 -4.844 -5.818 1.00 0.00 C ATOM 0 H THR A 58 6.060 -4.073 -2.663 1.00 0.00 H new ATOM 0 HA THR A 58 3.718 -3.031 -3.648 1.00 0.00 H new ATOM 0 HB THR A 58 5.355 -5.460 -4.439 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.044 -3.695 -5.970 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.365 -5.216 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.101 -5.595 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.292 -3.929 -6.086 1.00 0.00 H new ATOM 813 N VAL A 59 3.171 -5.854 -2.171 1.00 0.00 N ATOM 814 CA VAL A 59 2.119 -6.731 -1.685 1.00 0.00 C ATOM 815 C VAL A 59 1.414 -6.067 -0.501 1.00 0.00 C ATOM 816 O VAL A 59 0.190 -5.942 -0.493 1.00 0.00 O ATOM 817 CB VAL A 59 2.700 -8.104 -1.342 1.00 0.00 C ATOM 818 CG1 VAL A 59 1.586 -9.122 -1.090 1.00 0.00 C ATOM 819 CG2 VAL A 59 3.647 -8.589 -2.441 1.00 0.00 C ATOM 0 H VAL A 59 4.104 -6.072 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 59 1.369 -6.894 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 59 3.277 -8.004 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.025 -10.090 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.968 -8.786 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.970 -9.216 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.046 -9.567 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.103 -8.665 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.468 -7.881 -2.553 1.00 0.00 H new ATOM 829 N ALA A 60 2.216 -5.658 0.471 1.00 0.00 N ATOM 830 CA ALA A 60 1.684 -5.010 1.658 1.00 0.00 C ATOM 831 C ALA A 60 0.628 -3.984 1.243 1.00 0.00 C ATOM 832 O ALA A 60 -0.527 -4.074 1.659 1.00 0.00 O ATOM 833 CB ALA A 60 2.830 -4.379 2.452 1.00 0.00 C ATOM 0 H ALA A 60 3.231 -5.763 0.461 1.00 0.00 H new ATOM 0 HA ALA A 60 1.199 -5.738 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.431 -3.893 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.538 -5.154 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.339 -3.640 1.832 1.00 0.00 H new ATOM 839 N VAL A 61 1.060 -3.033 0.429 1.00 0.00 N ATOM 840 CA VAL A 61 0.166 -1.991 -0.047 1.00 0.00 C ATOM 841 C VAL A 61 -1.199 -2.604 -0.366 1.00 0.00 C ATOM 842 O VAL A 61 -2.213 -2.199 0.201 1.00 0.00 O ATOM 843 CB VAL A 61 0.792 -1.269 -1.242 1.00 0.00 C ATOM 844 CG1 VAL A 61 -0.204 -0.297 -1.878 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.078 -0.548 -0.834 1.00 0.00 C ATOM 0 H VAL A 61 2.018 -2.962 0.086 1.00 0.00 H new ATOM 0 HA VAL A 61 0.012 -1.237 0.725 1.00 0.00 H new ATOM 0 HB VAL A 61 1.051 -2.019 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.266 0.203 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.080 -0.847 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.508 0.446 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.503 -0.043 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.854 0.186 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.795 -1.273 -0.449 1.00 0.00 H new ATOM 855 N GLU A 62 -1.181 -3.569 -1.274 1.00 0.00 N ATOM 856 CA GLU A 62 -2.405 -4.241 -1.676 1.00 0.00 C ATOM 857 C GLU A 62 -3.263 -4.559 -0.450 1.00 0.00 C ATOM 858 O GLU A 62 -4.487 -4.442 -0.496 1.00 0.00 O ATOM 859 CB GLU A 62 -2.097 -5.510 -2.474 1.00 0.00 C ATOM 860 CG GLU A 62 -1.372 -5.174 -3.778 1.00 0.00 C ATOM 861 CD GLU A 62 -2.362 -4.731 -4.858 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.170 -3.828 -4.550 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.289 -5.306 -5.965 1.00 0.00 O ATOM 0 H GLU A 62 -0.338 -3.901 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.968 -3.571 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.482 -6.181 -1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.024 -6.039 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.644 -4.382 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.817 -6.046 -4.124 1.00 0.00 H new ATOM 870 N ILE A 63 -2.588 -4.956 0.619 1.00 0.00 N ATOM 871 CA ILE A 63 -3.273 -5.292 1.855 1.00 0.00 C ATOM 872 C ILE A 63 -3.804 -4.012 2.503 1.00 0.00 C ATOM 873 O ILE A 63 -4.990 -3.917 2.818 1.00 0.00 O ATOM 874 CB ILE A 63 -2.359 -6.110 2.770 1.00 0.00 C ATOM 875 CG1 ILE A 63 -1.903 -7.397 2.079 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.035 -6.389 4.114 1.00 0.00 C ATOM 877 CD1 ILE A 63 -0.702 -8.011 2.802 1.00 0.00 C ATOM 0 H ILE A 63 -1.573 -5.052 0.654 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.134 -5.929 1.651 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.466 -5.521 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.724 -8.113 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.639 -7.184 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.364 -6.972 4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.268 -5.445 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.955 -6.949 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.398 -8.924 2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.125 -7.301 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.977 -8.245 3.830 1.00 0.00 H new ATOM 889 N LEU A 64 -2.902 -3.059 2.683 1.00 0.00 N ATOM 890 CA LEU A 64 -3.264 -1.788 3.287 1.00 0.00 C ATOM 891 C LEU A 64 -4.478 -1.210 2.558 1.00 0.00 C ATOM 892 O LEU A 64 -5.412 -0.719 3.191 1.00 0.00 O ATOM 893 CB LEU A 64 -2.059 -0.846 3.319 1.00 0.00 C ATOM 894 CG LEU A 64 -0.974 -1.179 4.345 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.268 -0.512 5.690 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.796 -2.693 4.483 1.00 0.00 C ATOM 0 H LEU A 64 -1.920 -3.142 2.421 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.554 -1.930 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.604 -0.837 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.418 0.164 3.514 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.028 -0.775 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.482 -0.765 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.305 0.570 5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.227 -0.865 6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.019 -2.902 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.734 -3.141 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.508 -3.115 3.520 1.00 0.00 H new ATOM 908 N MET A 65 -4.426 -1.286 1.236 1.00 0.00 N ATOM 909 CA MET A 65 -5.510 -0.776 0.413 1.00 0.00 C ATOM 910 C MET A 65 -6.818 -1.511 0.713 1.00 0.00 C ATOM 911 O MET A 65 -7.899 -0.935 0.594 1.00 0.00 O ATOM 912 CB MET A 65 -5.154 -0.949 -1.065 1.00 0.00 C ATOM 913 CG MET A 65 -4.099 0.071 -1.497 1.00 0.00 C ATOM 914 SD MET A 65 -4.720 1.054 -2.852 1.00 0.00 S ATOM 915 CE MET A 65 -5.950 2.022 -1.994 1.00 0.00 C ATOM 0 H MET A 65 -3.650 -1.693 0.714 1.00 0.00 H new ATOM 0 HA MET A 65 -5.648 0.281 0.641 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.781 -1.959 -1.237 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.050 -0.832 -1.675 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.840 0.716 -0.658 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.186 -0.443 -1.798 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.300 2.824 -2.644 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.790 1.383 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.512 2.450 -1.092 1.00 0.00 H new ATOM 925 N SER A 66 -6.678 -2.772 1.095 1.00 0.00 N ATOM 926 CA SER A 66 -7.835 -3.591 1.413 1.00 0.00 C ATOM 927 C SER A 66 -8.419 -3.171 2.763 1.00 0.00 C ATOM 928 O SER A 66 -9.307 -2.322 2.822 1.00 0.00 O ATOM 929 CB SER A 66 -7.469 -5.077 1.431 1.00 0.00 C ATOM 930 OG SER A 66 -7.767 -5.715 0.193 1.00 0.00 O ATOM 0 H SER A 66 -5.780 -3.247 1.191 1.00 0.00 H new ATOM 0 HA SER A 66 -8.586 -3.439 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.406 -5.186 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.012 -5.574 2.235 1.00 0.00 H new ATOM 0 HG SER A 66 -7.517 -6.661 0.244 1.00 0.00 H new ATOM 936 N GLN A 67 -7.896 -3.785 3.814 1.00 0.00 N ATOM 937 CA GLN A 67 -8.355 -3.485 5.160 1.00 0.00 C ATOM 938 C GLN A 67 -9.859 -3.204 5.158 1.00 0.00 C ATOM 939 O GLN A 67 -10.325 -2.297 5.845 1.00 0.00 O ATOM 940 CB GLN A 67 -7.578 -2.309 5.755 1.00 0.00 C ATOM 941 CG GLN A 67 -6.390 -2.799 6.584 1.00 0.00 C ATOM 942 CD GLN A 67 -5.548 -3.804 5.795 1.00 0.00 C ATOM 943 OE1 GLN A 67 -6.052 -4.737 5.191 1.00 0.00 O ATOM 944 NE2 GLN A 67 -4.241 -3.563 5.834 1.00 0.00 N ATOM 0 H GLN A 67 -7.159 -4.488 3.761 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.169 -4.356 5.789 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.224 -1.660 4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.240 -1.711 6.381 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.771 -1.951 6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.750 -3.262 7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.885 -2.764 6.359 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.594 -4.177 5.339 1.00 0.00 H new ATOM 953 N SER A 68 -10.576 -4.000 4.379 1.00 0.00 N ATOM 954 CA SER A 68 -12.018 -3.849 4.278 1.00 0.00 C ATOM 955 C SER A 68 -12.690 -5.223 4.291 1.00 0.00 C ATOM 956 O SER A 68 -13.398 -5.563 5.238 1.00 0.00 O ATOM 957 CB SER A 68 -12.404 -3.080 3.013 1.00 0.00 C ATOM 958 OG SER A 68 -13.587 -2.308 3.198 1.00 0.00 O ATOM 0 H SER A 68 -10.185 -4.752 3.811 1.00 0.00 H new ATOM 0 HA SER A 68 -12.363 -3.275 5.138 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.584 -2.423 2.724 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.554 -3.783 2.193 1.00 0.00 H new ATOM 0 HG SER A 68 -13.799 -1.831 2.369 1.00 0.00 H new ATOM 964 N GLY A 69 -12.446 -5.976 3.228 1.00 0.00 N ATOM 965 CA GLY A 69 -13.020 -7.305 3.106 1.00 0.00 C ATOM 966 C GLY A 69 -14.208 -7.303 2.142 1.00 0.00 C ATOM 967 O GLY A 69 -14.219 -6.555 1.165 1.00 0.00 O ATOM 0 H GLY A 69 -11.859 -5.691 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.261 -8.002 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.343 -7.657 4.086 1.00 0.00 H new ATOM 971 N PRO A 70 -15.207 -8.170 2.459 1.00 0.00 N ATOM 972 CA PRO A 70 -16.398 -8.274 1.633 1.00 0.00 C ATOM 973 C PRO A 70 -17.323 -7.075 1.850 1.00 0.00 C ATOM 974 O PRO A 70 -17.370 -6.513 2.943 1.00 0.00 O ATOM 975 CB PRO A 70 -17.036 -9.596 2.028 1.00 0.00 C ATOM 976 CG PRO A 70 -16.440 -9.959 3.379 1.00 0.00 C ATOM 977 CD PRO A 70 -15.229 -9.070 3.608 1.00 0.00 C ATOM 0 HA PRO A 70 -16.173 -8.258 0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.120 -9.503 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.825 -10.368 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -17.175 -9.815 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -16.151 -11.010 3.399 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -15.315 -8.516 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.313 -9.657 3.669 1.00 0.00 H new ATOM 985 N SER A 71 -18.036 -6.719 0.791 1.00 0.00 N ATOM 986 CA SER A 71 -18.957 -5.597 0.852 1.00 0.00 C ATOM 987 C SER A 71 -18.186 -4.301 1.111 1.00 0.00 C ATOM 988 O SER A 71 -17.932 -3.945 2.260 1.00 0.00 O ATOM 989 CB SER A 71 -20.015 -5.811 1.937 1.00 0.00 C ATOM 990 OG SER A 71 -21.117 -6.580 1.463 1.00 0.00 O ATOM 0 H SER A 71 -17.994 -7.188 -0.114 1.00 0.00 H new ATOM 0 HA SER A 71 -19.469 -5.522 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.562 -6.315 2.791 1.00 0.00 H new ATOM 0 HB3 SER A 71 -20.373 -4.844 2.290 1.00 0.00 H new ATOM 0 HG SER A 71 -21.769 -6.696 2.185 1.00 0.00 H new ATOM 996 N SER A 72 -17.837 -3.631 0.022 1.00 0.00 N ATOM 997 CA SER A 72 -17.100 -2.382 0.117 1.00 0.00 C ATOM 998 C SER A 72 -17.988 -1.297 0.730 1.00 0.00 C ATOM 999 O SER A 72 -19.021 -0.942 0.164 1.00 0.00 O ATOM 1000 CB SER A 72 -16.590 -1.938 -1.256 1.00 0.00 C ATOM 1001 OG SER A 72 -15.684 -0.843 -1.159 1.00 0.00 O ATOM 0 H SER A 72 -18.051 -3.929 -0.930 1.00 0.00 H new ATOM 0 HA SER A 72 -16.235 -2.542 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.095 -2.776 -1.747 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.436 -1.655 -1.883 1.00 0.00 H new ATOM 0 HG SER A 72 -15.380 -0.590 -2.055 1.00 0.00 H new ATOM 1007 N GLY A 73 -17.552 -0.800 1.878 1.00 0.00 N ATOM 1008 CA GLY A 73 -18.294 0.238 2.574 1.00 0.00 C ATOM 1009 C GLY A 73 -19.464 -0.357 3.359 1.00 0.00 C ATOM 1010 O GLY A 73 -19.557 -0.179 4.572 1.00 0.00 O ATOM 0 H GLY A 73 -16.694 -1.097 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.629 0.772 3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.667 0.967 1.855 1.00 0.00 H new TER 1014 GLY A 73