USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 LYS NZ :NH3+ -176:sc= -3.72! (180deg=-3.92!) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= -0.75 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.0113 (180deg=-0.578) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.106 (180deg=-0.958) USER MOD Single : A 9 ASN : amide:sc= -0.363 K(o=-0.36,f=-1.5) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.993! C(o=-0.99!,f=-7.8!) USER MOD Single : A 16 GLN :FLIP amide:sc= -5.59! C(o=-13!,f=-5.6!) USER MOD Single : A 17 SER OG : rot -19:sc= 0.573 USER MOD Single : A 19 CYS SG : rot -162:sc= -0.328 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 17:sc= 0.0681 USER MOD Single : A 26 SER OG : rot 19:sc= 0.371 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.883! USER MOD Single : A 44 THR OG1 : rot -50:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= -0.0827 X(o=-0.083,f=-0.32) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= -3.6! (180deg=-6.49!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.33) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -4.2! C(o=-5.5!,f=-4.2!) USER MOD Single : A 61 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-3.3!) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -1.46! C(o=-2.3!,f=-1.5!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 64 HIS : no HE2:sc= 0.033 K(o=0.033,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.557 -39.191 -17.312 1.00 1.00 N ATOM 2 CA MET A 1 73.477 -38.464 -16.393 1.00 1.00 C ATOM 3 C MET A 1 74.874 -39.069 -16.491 1.00 1.00 C ATOM 4 O MET A 1 75.091 -40.219 -16.110 1.00 1.00 O ATOM 5 CB MET A 1 72.958 -38.582 -14.958 1.00 1.00 C ATOM 6 CG MET A 1 71.497 -38.132 -14.904 1.00 1.00 C ATOM 7 SD MET A 1 71.283 -36.934 -13.563 1.00 1.00 S ATOM 8 CE MET A 1 71.753 -38.032 -12.203 1.00 1.00 C ATOM 0 H1 MET A 1 71.854 -38.527 -17.696 1.00 1.00 H new ATOM 0 H2 MET A 1 73.104 -39.607 -18.093 1.00 1.00 H new ATOM 0 H3 MET A 1 72.070 -39.947 -16.789 1.00 1.00 H new ATOM 0 HA MET A 1 73.522 -37.412 -16.674 1.00 1.00 H new ATOM 0 HB2 MET A 1 73.045 -39.612 -14.612 1.00 1.00 H new ATOM 0 HB3 MET A 1 73.563 -37.969 -14.290 1.00 1.00 H new ATOM 0 HG2 MET A 1 71.208 -37.685 -15.855 1.00 1.00 H new ATOM 0 HG3 MET A 1 70.846 -38.992 -14.745 1.00 1.00 H new ATOM 0 HE1 MET A 1 71.278 -37.694 -11.282 1.00 1.00 H new ATOM 0 HE2 MET A 1 71.429 -39.048 -12.427 1.00 1.00 H new ATOM 0 HE3 MET A 1 72.836 -38.015 -12.080 1.00 1.00 H new ATOM 20 N GLU A 2 75.817 -38.287 -17.008 1.00 1.00 N ATOM 21 CA GLU A 2 77.189 -38.756 -17.152 1.00 1.00 C ATOM 22 C GLU A 2 77.701 -39.333 -15.836 1.00 1.00 C ATOM 23 O GLU A 2 77.898 -40.542 -15.712 1.00 1.00 O ATOM 24 CB GLU A 2 78.092 -37.601 -17.590 1.00 1.00 C ATOM 25 CG GLU A 2 77.832 -37.280 -19.063 1.00 1.00 C ATOM 26 CD GLU A 2 78.149 -35.815 -19.341 1.00 1.00 C ATOM 27 OE1 GLU A 2 79.015 -35.279 -18.669 1.00 1.00 O ATOM 28 OE2 GLU A 2 77.520 -35.249 -20.221 1.00 1.00 O ATOM 0 H GLU A 2 75.657 -37.333 -17.332 1.00 1.00 H new ATOM 0 HA GLU A 2 77.207 -39.540 -17.910 1.00 1.00 H new ATOM 0 HB2 GLU A 2 77.899 -36.722 -16.976 1.00 1.00 H new ATOM 0 HB3 GLU A 2 79.139 -37.868 -17.444 1.00 1.00 H new ATOM 0 HG2 GLU A 2 78.446 -37.920 -19.697 1.00 1.00 H new ATOM 0 HG3 GLU A 2 76.791 -37.489 -19.311 1.00 1.00 H new ATOM 35 N GLU A 3 77.913 -38.460 -14.856 1.00 1.00 N ATOM 36 CA GLU A 3 78.400 -38.895 -13.552 1.00 1.00 C ATOM 37 C GLU A 3 78.203 -37.796 -12.513 1.00 1.00 C ATOM 38 O GLU A 3 78.896 -37.758 -11.496 1.00 1.00 O ATOM 39 CB GLU A 3 79.885 -39.253 -13.643 1.00 1.00 C ATOM 40 CG GLU A 3 80.634 -38.146 -14.386 1.00 1.00 C ATOM 41 CD GLU A 3 82.096 -38.124 -13.955 1.00 1.00 C ATOM 42 OE1 GLU A 3 82.341 -37.983 -12.768 1.00 1.00 O ATOM 43 OE2 GLU A 3 82.950 -38.248 -14.817 1.00 1.00 O ATOM 0 H GLU A 3 77.757 -37.455 -14.939 1.00 1.00 H new ATOM 0 HA GLU A 3 77.832 -39.774 -13.247 1.00 1.00 H new ATOM 0 HB2 GLU A 3 80.301 -39.380 -12.643 1.00 1.00 H new ATOM 0 HB3 GLU A 3 80.009 -40.203 -14.163 1.00 1.00 H new ATOM 0 HG2 GLU A 3 80.566 -38.309 -15.462 1.00 1.00 H new ATOM 0 HG3 GLU A 3 80.171 -37.181 -14.180 1.00 1.00 H new ATOM 50 N GLY A 4 77.254 -36.903 -12.776 1.00 1.00 N ATOM 51 CA GLY A 4 76.975 -35.807 -11.855 1.00 1.00 C ATOM 52 C GLY A 4 75.625 -35.169 -12.162 1.00 1.00 C ATOM 53 O GLY A 4 75.426 -34.601 -13.237 1.00 1.00 O ATOM 0 H GLY A 4 76.670 -36.916 -13.612 1.00 1.00 H new ATOM 0 HA2 GLY A 4 76.982 -36.177 -10.830 1.00 1.00 H new ATOM 0 HA3 GLY A 4 77.762 -35.056 -11.928 1.00 1.00 H new ATOM 57 N GLY A 5 74.700 -35.266 -11.212 1.00 1.00 N ATOM 58 CA GLY A 5 73.371 -34.693 -11.393 1.00 1.00 C ATOM 59 C GLY A 5 73.379 -33.196 -11.103 1.00 1.00 C ATOM 60 O GLY A 5 72.934 -32.758 -10.041 1.00 1.00 O ATOM 0 H GLY A 5 74.844 -35.732 -10.316 1.00 1.00 H new ATOM 0 HA2 GLY A 5 73.031 -34.868 -12.414 1.00 1.00 H new ATOM 0 HA3 GLY A 5 72.663 -35.192 -10.732 1.00 1.00 H new ATOM 64 N ASP A 6 73.885 -32.417 -12.051 1.00 1.00 N ATOM 65 CA ASP A 6 73.946 -30.970 -11.886 1.00 1.00 C ATOM 66 C ASP A 6 72.784 -30.299 -12.612 1.00 1.00 C ATOM 67 O ASP A 6 72.791 -29.087 -12.828 1.00 1.00 O ATOM 68 CB ASP A 6 75.269 -30.436 -12.437 1.00 1.00 C ATOM 69 CG ASP A 6 75.214 -30.373 -13.959 1.00 1.00 C ATOM 70 OD1 ASP A 6 74.937 -31.395 -14.565 1.00 1.00 O ATOM 71 OD2 ASP A 6 75.449 -29.303 -14.498 1.00 1.00 O ATOM 0 H ASP A 6 74.257 -32.760 -12.937 1.00 1.00 H new ATOM 0 HA ASP A 6 73.877 -30.742 -10.822 1.00 1.00 H new ATOM 0 HB2 ASP A 6 75.467 -29.444 -12.031 1.00 1.00 H new ATOM 0 HB3 ASP A 6 76.090 -31.080 -12.121 1.00 1.00 H new ATOM 76 N PHE A 7 71.788 -31.095 -12.986 1.00 1.00 N ATOM 77 CA PHE A 7 70.622 -30.567 -13.686 1.00 1.00 C ATOM 78 C PHE A 7 69.403 -31.450 -13.440 1.00 1.00 C ATOM 79 O PHE A 7 68.696 -31.823 -14.376 1.00 1.00 O ATOM 80 CB PHE A 7 70.906 -30.492 -15.188 1.00 1.00 C ATOM 81 CG PHE A 7 70.036 -29.427 -15.812 1.00 1.00 C ATOM 82 CD1 PHE A 7 70.390 -28.078 -15.695 1.00 1.00 C ATOM 83 CD2 PHE A 7 68.877 -29.789 -16.508 1.00 1.00 C ATOM 84 CE1 PHE A 7 69.584 -27.090 -16.274 1.00 1.00 C ATOM 85 CE2 PHE A 7 68.071 -28.802 -17.086 1.00 1.00 C ATOM 86 CZ PHE A 7 68.424 -27.452 -16.969 1.00 1.00 C ATOM 0 H PHE A 7 71.764 -32.101 -12.818 1.00 1.00 H new ATOM 0 HA PHE A 7 70.414 -29.567 -13.305 1.00 1.00 H new ATOM 0 HB2 PHE A 7 71.958 -30.264 -15.359 1.00 1.00 H new ATOM 0 HB3 PHE A 7 70.709 -31.457 -15.655 1.00 1.00 H new ATOM 0 HD1 PHE A 7 71.285 -27.799 -15.158 1.00 1.00 H new ATOM 0 HD2 PHE A 7 68.605 -30.830 -16.599 1.00 1.00 H new ATOM 0 HE1 PHE A 7 69.857 -26.049 -16.184 1.00 1.00 H new ATOM 0 HE2 PHE A 7 67.176 -29.081 -17.623 1.00 1.00 H new ATOM 0 HZ PHE A 7 67.802 -26.690 -17.415 1.00 1.00 H new ATOM 96 N ASP A 8 69.163 -31.780 -12.175 1.00 1.00 N ATOM 97 CA ASP A 8 68.026 -32.619 -11.817 1.00 1.00 C ATOM 98 C ASP A 8 67.516 -32.267 -10.424 1.00 1.00 C ATOM 99 O ASP A 8 67.240 -33.150 -9.612 1.00 1.00 O ATOM 100 CB ASP A 8 68.434 -34.094 -11.857 1.00 1.00 C ATOM 101 CG ASP A 8 68.792 -34.499 -13.282 1.00 1.00 C ATOM 102 OD1 ASP A 8 69.943 -34.334 -13.651 1.00 1.00 O ATOM 103 OD2 ASP A 8 67.911 -34.968 -13.983 1.00 1.00 O ATOM 0 H ASP A 8 69.736 -31.482 -11.386 1.00 1.00 H new ATOM 0 HA ASP A 8 67.227 -32.443 -12.537 1.00 1.00 H new ATOM 0 HB2 ASP A 8 69.286 -34.262 -11.198 1.00 1.00 H new ATOM 0 HB3 ASP A 8 67.618 -34.715 -11.488 1.00 1.00 H new ATOM 108 N ASN A 9 67.395 -30.971 -10.155 1.00 1.00 N ATOM 109 CA ASN A 9 66.917 -30.512 -8.855 1.00 1.00 C ATOM 110 C ASN A 9 66.281 -29.132 -8.975 1.00 1.00 C ATOM 111 O ASN A 9 66.953 -28.155 -9.307 1.00 1.00 O ATOM 112 CB ASN A 9 68.079 -30.457 -7.862 1.00 1.00 C ATOM 113 CG ASN A 9 67.576 -30.004 -6.495 1.00 1.00 C ATOM 114 OD1 ASN A 9 67.245 -28.833 -6.311 1.00 1.00 O ATOM 115 ND2 ASN A 9 67.496 -30.869 -5.521 1.00 1.00 N ATOM 0 H ASN A 9 67.619 -30.225 -10.814 1.00 1.00 H new ATOM 0 HA ASN A 9 66.165 -31.215 -8.496 1.00 1.00 H new ATOM 0 HB2 ASN A 9 68.545 -31.439 -7.780 1.00 1.00 H new ATOM 0 HB3 ASN A 9 68.844 -29.770 -8.223 1.00 1.00 H new ATOM 0 HD21 ASN A 9 67.158 -30.575 -4.604 1.00 1.00 H new ATOM 0 HD22 ASN A 9 67.771 -31.839 -5.676 1.00 1.00 H new ATOM 122 N TYR A 10 64.982 -29.058 -8.702 1.00 1.00 N ATOM 123 CA TYR A 10 64.265 -27.792 -8.782 1.00 1.00 C ATOM 124 C TYR A 10 64.653 -27.035 -10.049 1.00 1.00 C ATOM 125 O TYR A 10 64.472 -25.821 -10.140 1.00 1.00 O ATOM 126 CB TYR A 10 64.582 -26.933 -7.557 1.00 1.00 C ATOM 127 CG TYR A 10 63.391 -26.067 -7.225 1.00 1.00 C ATOM 128 CD1 TYR A 10 62.260 -26.633 -6.623 1.00 1.00 C ATOM 129 CD2 TYR A 10 63.416 -24.699 -7.522 1.00 1.00 C ATOM 130 CE1 TYR A 10 61.156 -25.829 -6.315 1.00 1.00 C ATOM 131 CE2 TYR A 10 62.311 -23.895 -7.215 1.00 1.00 C ATOM 132 CZ TYR A 10 61.180 -24.461 -6.612 1.00 1.00 C ATOM 133 OH TYR A 10 60.091 -23.669 -6.309 1.00 1.00 O ATOM 0 H TYR A 10 64.408 -29.855 -8.425 1.00 1.00 H new ATOM 0 HA TYR A 10 63.196 -28.004 -8.811 1.00 1.00 H new ATOM 0 HB2 TYR A 10 64.830 -27.570 -6.708 1.00 1.00 H new ATOM 0 HB3 TYR A 10 65.454 -26.310 -7.753 1.00 1.00 H new ATOM 0 HD1 TYR A 10 62.240 -27.689 -6.397 1.00 1.00 H new ATOM 0 HD2 TYR A 10 64.288 -24.264 -7.988 1.00 1.00 H new ATOM 0 HE1 TYR A 10 60.285 -26.264 -5.848 1.00 1.00 H new ATOM 0 HE2 TYR A 10 62.331 -22.840 -7.443 1.00 1.00 H new ATOM 0 HH TYR A 10 60.273 -22.745 -6.580 1.00 1.00 H new ATOM 143 N TYR A 11 65.187 -27.763 -11.026 1.00 1.00 N ATOM 144 CA TYR A 11 65.597 -27.150 -12.284 1.00 1.00 C ATOM 145 C TYR A 11 65.335 -28.096 -13.451 1.00 1.00 C ATOM 146 O TYR A 11 65.983 -29.135 -13.579 1.00 1.00 O ATOM 147 CB TYR A 11 67.085 -26.799 -12.233 1.00 1.00 C ATOM 148 CG TYR A 11 67.247 -25.330 -11.924 1.00 1.00 C ATOM 149 CD1 TYR A 11 66.959 -24.373 -12.904 1.00 1.00 C ATOM 150 CD2 TYR A 11 67.682 -24.925 -10.657 1.00 1.00 C ATOM 151 CE1 TYR A 11 67.109 -23.010 -12.617 1.00 1.00 C ATOM 152 CE2 TYR A 11 67.832 -23.563 -10.370 1.00 1.00 C ATOM 153 CZ TYR A 11 67.545 -22.605 -11.351 1.00 1.00 C ATOM 154 OH TYR A 11 67.692 -21.263 -11.068 1.00 1.00 O ATOM 0 H TYR A 11 65.345 -28.769 -10.971 1.00 1.00 H new ATOM 0 HA TYR A 11 65.014 -26.241 -12.431 1.00 1.00 H new ATOM 0 HB2 TYR A 11 67.585 -27.399 -11.472 1.00 1.00 H new ATOM 0 HB3 TYR A 11 67.558 -27.035 -13.186 1.00 1.00 H new ATOM 0 HD1 TYR A 11 66.621 -24.685 -13.881 1.00 1.00 H new ATOM 0 HD2 TYR A 11 67.902 -25.663 -9.900 1.00 1.00 H new ATOM 0 HE1 TYR A 11 66.888 -22.272 -13.373 1.00 1.00 H new ATOM 0 HE2 TYR A 11 68.169 -23.251 -9.393 1.00 1.00 H new ATOM 0 HH TYR A 11 68.001 -21.155 -10.144 1.00 1.00 H new ATOM 164 N GLY A 12 64.380 -27.730 -14.300 1.00 1.00 N ATOM 165 CA GLY A 12 64.040 -28.554 -15.454 1.00 1.00 C ATOM 166 C GLY A 12 62.796 -29.391 -15.178 1.00 1.00 C ATOM 167 O GLY A 12 61.920 -29.519 -16.033 1.00 1.00 O ATOM 0 H GLY A 12 63.831 -26.875 -14.212 1.00 1.00 H new ATOM 0 HA2 GLY A 12 63.870 -27.918 -16.323 1.00 1.00 H new ATOM 0 HA3 GLY A 12 64.877 -29.209 -15.698 1.00 1.00 H new ATOM 171 N ALA A 13 62.724 -29.959 -13.979 1.00 1.00 N ATOM 172 CA ALA A 13 61.582 -30.782 -13.600 1.00 1.00 C ATOM 173 C ALA A 13 60.630 -29.997 -12.703 1.00 1.00 C ATOM 174 O ALA A 13 59.959 -30.569 -11.843 1.00 1.00 O ATOM 175 CB ALA A 13 62.060 -32.036 -12.866 1.00 1.00 C ATOM 0 H ALA A 13 63.438 -29.865 -13.257 1.00 1.00 H new ATOM 0 HA ALA A 13 61.052 -31.073 -14.507 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.200 -32.644 -12.587 1.00 1.00 H new ATOM 0 HB2 ALA A 13 62.715 -32.612 -13.519 1.00 1.00 H new ATOM 0 HB3 ALA A 13 62.606 -31.746 -11.968 1.00 1.00 H new ATOM 181 N ASP A 14 60.578 -28.686 -12.908 1.00 1.00 N ATOM 182 CA ASP A 14 59.705 -27.830 -12.110 1.00 1.00 C ATOM 183 C ASP A 14 59.010 -26.801 -12.995 1.00 1.00 C ATOM 184 O ASP A 14 58.287 -25.934 -12.505 1.00 1.00 O ATOM 185 CB ASP A 14 60.519 -27.114 -11.032 1.00 1.00 C ATOM 186 CG ASP A 14 59.615 -26.727 -9.867 1.00 1.00 C ATOM 187 OD1 ASP A 14 58.482 -26.350 -10.121 1.00 1.00 O ATOM 188 OD2 ASP A 14 60.067 -26.815 -8.737 1.00 1.00 O ATOM 0 H ASP A 14 61.125 -28.194 -13.614 1.00 1.00 H new ATOM 0 HA ASP A 14 58.948 -28.455 -11.637 1.00 1.00 H new ATOM 0 HB2 ASP A 14 61.322 -27.762 -10.680 1.00 1.00 H new ATOM 0 HB3 ASP A 14 60.988 -26.224 -11.450 1.00 1.00 H new ATOM 193 N ASN A 15 59.235 -26.903 -14.302 1.00 1.00 N ATOM 194 CA ASN A 15 58.625 -25.974 -15.246 1.00 1.00 C ATOM 195 C ASN A 15 58.391 -26.655 -16.591 1.00 1.00 C ATOM 196 O ASN A 15 58.866 -26.186 -17.625 1.00 1.00 O ATOM 197 CB ASN A 15 59.529 -24.756 -15.439 1.00 1.00 C ATOM 198 CG ASN A 15 60.982 -25.200 -15.567 1.00 1.00 C ATOM 199 OD1 ASN A 15 61.272 -26.396 -15.532 1.00 1.00 O ATOM 200 ND2 ASN A 15 61.919 -24.304 -15.714 1.00 1.00 N ATOM 0 H ASN A 15 59.830 -27.613 -14.728 1.00 1.00 H new ATOM 0 HA ASN A 15 57.665 -25.652 -14.842 1.00 1.00 H new ATOM 0 HB2 ASN A 15 59.228 -24.207 -16.331 1.00 1.00 H new ATOM 0 HB3 ASN A 15 59.421 -24.075 -14.595 1.00 1.00 H new ATOM 0 HD21 ASN A 15 62.893 -24.594 -15.800 1.00 1.00 H new ATOM 0 HD22 ASN A 15 61.677 -23.313 -15.743 1.00 1.00 H new ATOM 207 N GLN A 16 57.657 -27.763 -16.568 1.00 1.00 N ATOM 208 CA GLN A 16 57.367 -28.500 -17.792 1.00 1.00 C ATOM 209 C GLN A 16 56.405 -27.713 -18.677 1.00 1.00 C ATOM 210 O GLN A 16 56.652 -27.533 -19.871 1.00 1.00 O ATOM 211 CB GLN A 16 56.752 -29.859 -17.450 1.00 1.00 C ATOM 212 CG GLN A 16 57.725 -30.655 -16.580 1.00 1.00 C ATOM 213 CD GLN A 16 57.680 -30.142 -15.144 1.00 1.00 C ATOM 214 OE1 GLN A 16 58.595 -29.308 -14.730 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 56.788 -30.511 -14.380 1.00 1.00 N flip ATOM 0 H GLN A 16 57.255 -28.167 -15.722 1.00 1.00 H new ATOM 0 HA GLN A 16 58.301 -28.649 -18.333 1.00 1.00 H new ATOM 0 HB2 GLN A 16 55.807 -29.721 -16.924 1.00 1.00 H new ATOM 0 HB3 GLN A 16 56.530 -30.410 -18.364 1.00 1.00 H new ATOM 0 HG2 GLN A 16 57.466 -31.713 -16.605 1.00 1.00 H new ATOM 0 HG3 GLN A 16 58.737 -30.565 -16.976 1.00 1.00 H new ATOM 0 HE21 GLN A 16 56.074 -31.163 -14.706 1.00 1.00 H new ATOM 0 HE22 GLN A 16 56.763 -30.165 -13.421 1.00 1.00 H new ATOM 224 N SER A 17 55.312 -27.246 -18.085 1.00 1.00 N ATOM 225 CA SER A 17 54.320 -26.479 -18.830 1.00 1.00 C ATOM 226 C SER A 17 53.501 -25.603 -17.888 1.00 1.00 C ATOM 227 O SER A 17 52.398 -25.173 -18.225 1.00 1.00 O ATOM 228 CB SER A 17 53.388 -27.425 -19.586 1.00 1.00 C ATOM 229 OG SER A 17 54.162 -28.269 -20.431 1.00 1.00 O ATOM 0 H SER A 17 55.091 -27.383 -17.099 1.00 1.00 H new ATOM 0 HA SER A 17 54.843 -25.839 -19.541 1.00 1.00 H new ATOM 0 HB2 SER A 17 52.811 -28.025 -18.883 1.00 1.00 H new ATOM 0 HB3 SER A 17 52.673 -26.854 -20.179 1.00 1.00 H new ATOM 0 HG SER A 17 55.043 -27.866 -20.577 1.00 1.00 H new ATOM 235 N GLU A 18 54.048 -25.342 -16.705 1.00 1.00 N ATOM 236 CA GLU A 18 53.359 -24.515 -15.721 1.00 1.00 C ATOM 237 C GLU A 18 54.364 -23.810 -14.815 1.00 1.00 C ATOM 238 O GLU A 18 55.574 -23.955 -14.984 1.00 1.00 O ATOM 239 CB GLU A 18 52.425 -25.381 -14.874 1.00 1.00 C ATOM 240 CG GLU A 18 50.978 -25.161 -15.320 1.00 1.00 C ATOM 241 CD GLU A 18 50.065 -26.181 -14.650 1.00 1.00 C ATOM 242 OE1 GLU A 18 50.055 -26.228 -13.432 1.00 1.00 O ATOM 243 OE2 GLU A 18 49.388 -26.901 -15.366 1.00 1.00 O ATOM 0 H GLU A 18 54.960 -25.688 -16.406 1.00 1.00 H new ATOM 0 HA GLU A 18 52.775 -23.762 -16.251 1.00 1.00 H new ATOM 0 HB2 GLU A 18 52.693 -26.432 -14.978 1.00 1.00 H new ATOM 0 HB3 GLU A 18 52.534 -25.128 -13.819 1.00 1.00 H new ATOM 0 HG2 GLU A 18 50.659 -24.151 -15.063 1.00 1.00 H new ATOM 0 HG3 GLU A 18 50.905 -25.252 -16.404 1.00 1.00 H new ATOM 250 N CYS A 19 53.853 -23.049 -13.853 1.00 1.00 N ATOM 251 CA CYS A 19 54.716 -22.326 -12.926 1.00 1.00 C ATOM 252 C CYS A 19 55.566 -21.302 -13.672 1.00 1.00 C ATOM 253 O CYS A 19 56.362 -20.583 -13.068 1.00 1.00 O ATOM 254 CB CYS A 19 55.626 -23.308 -12.187 1.00 1.00 C ATOM 255 SG CYS A 19 57.314 -23.166 -12.829 1.00 1.00 S ATOM 0 H CYS A 19 52.854 -22.917 -13.695 1.00 1.00 H new ATOM 0 HA CYS A 19 54.087 -21.802 -12.206 1.00 1.00 H new ATOM 0 HB2 CYS A 19 55.613 -23.098 -11.117 1.00 1.00 H new ATOM 0 HB3 CYS A 19 55.261 -24.327 -12.316 1.00 1.00 H new ATOM 0 HG CYS A 19 57.996 -24.221 -12.494 1.00 1.00 H new ATOM 261 N GLU A 20 55.390 -21.241 -14.988 1.00 1.00 N ATOM 262 CA GLU A 20 56.147 -20.301 -15.806 1.00 1.00 C ATOM 263 C GLU A 20 55.489 -18.925 -15.788 1.00 1.00 C ATOM 264 O GLU A 20 55.371 -18.268 -16.822 1.00 1.00 O ATOM 265 CB GLU A 20 56.228 -20.810 -17.247 1.00 1.00 C ATOM 266 CG GLU A 20 57.054 -19.834 -18.088 1.00 1.00 C ATOM 267 CD GLU A 20 58.148 -20.588 -18.836 1.00 1.00 C ATOM 268 OE1 GLU A 20 57.844 -21.623 -19.407 1.00 1.00 O ATOM 269 OE2 GLU A 20 59.275 -20.120 -18.827 1.00 1.00 O ATOM 0 H GLU A 20 54.735 -21.826 -15.507 1.00 1.00 H new ATOM 0 HA GLU A 20 57.152 -20.217 -15.393 1.00 1.00 H new ATOM 0 HB2 GLU A 20 56.683 -21.800 -17.269 1.00 1.00 H new ATOM 0 HB3 GLU A 20 55.226 -20.910 -17.665 1.00 1.00 H new ATOM 0 HG2 GLU A 20 56.409 -19.315 -18.797 1.00 1.00 H new ATOM 0 HG3 GLU A 20 57.499 -19.074 -17.446 1.00 1.00 H new ATOM 276 N TYR A 21 55.062 -18.495 -14.604 1.00 1.00 N ATOM 277 CA TYR A 21 54.418 -17.195 -14.462 1.00 1.00 C ATOM 278 C TYR A 21 54.695 -16.608 -13.083 1.00 1.00 C ATOM 279 O TYR A 21 53.997 -16.913 -12.116 1.00 1.00 O ATOM 280 CB TYR A 21 52.907 -17.335 -14.665 1.00 1.00 C ATOM 281 CG TYR A 21 52.612 -17.539 -16.132 1.00 1.00 C ATOM 282 CD1 TYR A 21 52.726 -16.466 -17.024 1.00 1.00 C ATOM 283 CD2 TYR A 21 52.226 -18.801 -16.600 1.00 1.00 C ATOM 284 CE1 TYR A 21 52.453 -16.655 -18.384 1.00 1.00 C ATOM 285 CE2 TYR A 21 51.952 -18.990 -17.960 1.00 1.00 C ATOM 286 CZ TYR A 21 52.066 -17.916 -18.851 1.00 1.00 C ATOM 287 OH TYR A 21 51.796 -18.103 -20.192 1.00 1.00 O ATOM 0 H TYR A 21 55.150 -19.024 -13.736 1.00 1.00 H new ATOM 0 HA TYR A 21 54.825 -16.524 -15.219 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.528 -18.178 -14.087 1.00 1.00 H new ATOM 0 HB3 TYR A 21 52.396 -16.443 -14.301 1.00 1.00 H new ATOM 0 HD1 TYR A 21 53.024 -15.493 -16.663 1.00 1.00 H new ATOM 0 HD2 TYR A 21 52.140 -19.629 -15.912 1.00 1.00 H new ATOM 0 HE1 TYR A 21 52.541 -15.828 -19.073 1.00 1.00 H new ATOM 0 HE2 TYR A 21 51.653 -19.963 -18.321 1.00 1.00 H new ATOM 0 HH TYR A 21 51.542 -19.037 -20.348 1.00 1.00 H new ATOM 297 N THR A 22 55.717 -15.764 -12.998 1.00 1.00 N ATOM 298 CA THR A 22 56.078 -15.140 -11.731 1.00 1.00 C ATOM 299 C THR A 22 56.142 -16.182 -10.619 1.00 1.00 C ATOM 300 O THR A 22 55.859 -15.883 -9.460 1.00 1.00 O ATOM 301 CB THR A 22 55.051 -14.065 -11.367 1.00 1.00 C ATOM 302 OG1 THR A 22 53.763 -14.658 -11.270 1.00 1.00 O ATOM 303 CG2 THR A 22 55.037 -12.983 -12.448 1.00 1.00 C ATOM 0 H THR A 22 56.307 -15.497 -13.786 1.00 1.00 H new ATOM 0 HA THR A 22 57.061 -14.682 -11.841 1.00 1.00 H new ATOM 0 HB THR A 22 55.318 -13.615 -10.411 1.00 1.00 H new ATOM 0 HG1 THR A 22 53.856 -15.631 -11.194 1.00 1.00 H new ATOM 0 HG21 THR A 22 54.305 -12.218 -12.188 1.00 1.00 H new ATOM 0 HG22 THR A 22 56.025 -12.530 -12.522 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.770 -13.429 -13.406 1.00 1.00 H new ATOM 311 N ASP A 23 56.516 -17.406 -10.986 1.00 1.00 N ATOM 312 CA ASP A 23 56.617 -18.494 -10.017 1.00 1.00 C ATOM 313 C ASP A 23 58.009 -19.116 -10.052 1.00 1.00 C ATOM 314 O ASP A 23 58.425 -19.781 -9.103 1.00 1.00 O ATOM 315 CB ASP A 23 55.569 -19.565 -10.325 1.00 1.00 C ATOM 316 CG ASP A 23 54.487 -19.560 -9.251 1.00 1.00 C ATOM 317 OD1 ASP A 23 53.560 -18.777 -9.375 1.00 1.00 O ATOM 318 OD2 ASP A 23 54.602 -20.338 -8.318 1.00 1.00 O ATOM 0 H ASP A 23 56.753 -17.668 -11.943 1.00 1.00 H new ATOM 0 HA ASP A 23 56.439 -18.087 -9.022 1.00 1.00 H new ATOM 0 HB2 ASP A 23 55.124 -19.379 -11.302 1.00 1.00 H new ATOM 0 HB3 ASP A 23 56.042 -20.546 -10.372 1.00 1.00 H new ATOM 323 N TRP A 24 58.724 -18.898 -11.151 1.00 1.00 N ATOM 324 CA TRP A 24 60.069 -19.445 -11.293 1.00 1.00 C ATOM 325 C TRP A 24 60.936 -19.043 -10.104 1.00 1.00 C ATOM 326 O TRP A 24 62.058 -19.527 -9.950 1.00 1.00 O ATOM 327 CB TRP A 24 60.707 -18.944 -12.591 1.00 1.00 C ATOM 328 CG TRP A 24 60.866 -17.457 -12.532 1.00 1.00 C ATOM 329 CD1 TRP A 24 59.853 -16.564 -12.593 1.00 1.00 C ATOM 330 CD2 TRP A 24 62.092 -16.679 -12.404 1.00 1.00 C ATOM 331 NE1 TRP A 24 60.378 -15.286 -12.510 1.00 1.00 N ATOM 332 CE2 TRP A 24 61.754 -15.306 -12.393 1.00 1.00 C ATOM 333 CE3 TRP A 24 63.450 -17.029 -12.297 1.00 1.00 C ATOM 334 CZ2 TRP A 24 62.728 -14.313 -12.279 1.00 1.00 C ATOM 335 CZ3 TRP A 24 64.434 -16.032 -12.182 1.00 1.00 C ATOM 336 CH2 TRP A 24 64.073 -14.677 -12.174 1.00 1.00 C ATOM 0 H TRP A 24 58.399 -18.352 -11.949 1.00 1.00 H new ATOM 0 HA TRP A 24 59.998 -20.532 -11.325 1.00 1.00 H new ATOM 0 HB2 TRP A 24 61.678 -19.418 -12.737 1.00 1.00 H new ATOM 0 HB3 TRP A 24 60.086 -19.220 -13.443 1.00 1.00 H new ATOM 0 HD1 TRP A 24 58.805 -16.808 -12.691 1.00 1.00 H new ATOM 0 HE1 TRP A 24 59.818 -14.434 -12.532 1.00 1.00 H new ATOM 0 HE3 TRP A 24 63.738 -18.070 -12.303 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 62.444 -13.271 -12.272 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 65.474 -16.311 -12.099 1.00 1.00 H new ATOM 0 HH2 TRP A 24 64.834 -13.915 -12.087 1.00 1.00 H new ATOM 347 N LYS A 25 60.405 -18.158 -9.266 1.00 1.00 N ATOM 348 CA LYS A 25 61.135 -17.699 -8.089 1.00 1.00 C ATOM 349 C LYS A 25 60.221 -17.666 -6.868 1.00 1.00 C ATOM 350 O LYS A 25 60.639 -17.274 -5.779 1.00 1.00 O ATOM 351 CB LYS A 25 61.717 -16.303 -8.336 1.00 1.00 C ATOM 352 CG LYS A 25 60.749 -15.470 -9.184 1.00 1.00 C ATOM 353 CD LYS A 25 59.403 -15.350 -8.467 1.00 1.00 C ATOM 354 CE LYS A 25 58.629 -14.158 -9.032 1.00 1.00 C ATOM 355 NZ LYS A 25 57.248 -14.153 -8.472 1.00 1.00 N ATOM 0 H LYS A 25 59.478 -17.747 -9.378 1.00 1.00 H new ATOM 0 HA LYS A 25 61.949 -18.398 -7.899 1.00 1.00 H new ATOM 0 HB2 LYS A 25 61.901 -15.804 -7.385 1.00 1.00 H new ATOM 0 HB3 LYS A 25 62.678 -16.386 -8.843 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.167 -14.479 -9.361 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.611 -15.937 -10.159 1.00 1.00 H new ATOM 0 HD2 LYS A 25 58.827 -16.266 -8.597 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.560 -15.221 -7.396 1.00 1.00 H new ATOM 0 HE2 LYS A 25 59.138 -13.228 -8.781 1.00 1.00 H new ATOM 0 HE3 LYS A 25 58.592 -14.217 -10.120 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 56.700 -13.383 -8.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 56.788 -15.063 -8.675 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 57.291 -14.009 -7.443 1.00 1.00 H new ATOM 369 N SER A 26 58.971 -18.081 -7.060 1.00 1.00 N ATOM 370 CA SER A 26 58.002 -18.096 -5.971 1.00 1.00 C ATOM 371 C SER A 26 58.149 -16.853 -5.099 1.00 1.00 C ATOM 372 O SER A 26 58.534 -16.942 -3.933 1.00 1.00 O ATOM 373 CB SER A 26 58.197 -19.348 -5.116 1.00 1.00 C ATOM 374 OG SER A 26 59.526 -19.369 -4.611 1.00 1.00 O ATOM 0 H SER A 26 58.608 -18.409 -7.955 1.00 1.00 H new ATOM 0 HA SER A 26 57.001 -18.103 -6.403 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.483 -19.355 -4.293 1.00 1.00 H new ATOM 0 HB3 SER A 26 58.007 -20.242 -5.710 1.00 1.00 H new ATOM 0 HG SER A 26 59.909 -18.468 -4.660 1.00 1.00 H new ATOM 380 N SER A 27 57.840 -15.694 -5.672 1.00 1.00 N ATOM 381 CA SER A 27 57.942 -14.439 -4.939 1.00 1.00 C ATOM 382 C SER A 27 56.864 -13.461 -5.396 1.00 1.00 C ATOM 383 O SER A 27 56.997 -12.250 -5.222 1.00 1.00 O ATOM 384 CB SER A 27 59.322 -13.818 -5.156 1.00 1.00 C ATOM 385 OG SER A 27 59.321 -13.087 -6.375 1.00 1.00 O ATOM 0 H SER A 27 57.519 -15.599 -6.635 1.00 1.00 H new ATOM 0 HA SER A 27 57.800 -14.648 -3.879 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.572 -13.160 -4.324 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.084 -14.597 -5.186 1.00 1.00 H new ATOM 0 HG SER A 27 60.204 -12.686 -6.517 1.00 1.00 H new ATOM 391 N GLY A 28 55.798 -13.997 -5.982 1.00 1.00 N ATOM 392 CA GLY A 28 54.703 -13.162 -6.461 1.00 1.00 C ATOM 393 C GLY A 28 53.392 -13.940 -6.476 1.00 1.00 C ATOM 394 O GLY A 28 52.542 -13.727 -7.341 1.00 1.00 O ATOM 0 H GLY A 28 55.670 -14.997 -6.136 1.00 1.00 H new ATOM 0 HA2 GLY A 28 54.603 -12.285 -5.822 1.00 1.00 H new ATOM 0 HA3 GLY A 28 54.928 -12.801 -7.465 1.00 1.00 H new ATOM 398 N ALA A 29 53.234 -14.842 -5.513 1.00 1.00 N ATOM 399 CA ALA A 29 52.020 -15.647 -5.425 1.00 1.00 C ATOM 400 C ALA A 29 51.652 -15.905 -3.968 1.00 1.00 C ATOM 401 O ALA A 29 50.557 -16.382 -3.670 1.00 1.00 O ATOM 402 CB ALA A 29 52.227 -16.981 -6.145 1.00 1.00 C ATOM 0 H ALA A 29 53.925 -15.034 -4.788 1.00 1.00 H new ATOM 0 HA ALA A 29 51.207 -15.099 -5.901 1.00 1.00 H new ATOM 0 HB1 ALA A 29 51.317 -17.577 -6.075 1.00 1.00 H new ATOM 0 HB2 ALA A 29 52.460 -16.796 -7.194 1.00 1.00 H new ATOM 0 HB3 ALA A 29 53.051 -17.522 -5.680 1.00 1.00 H new ATOM 408 N LEU A 30 52.572 -15.587 -3.064 1.00 1.00 N ATOM 409 CA LEU A 30 52.332 -15.791 -1.639 1.00 1.00 C ATOM 410 C LEU A 30 52.837 -14.598 -0.833 1.00 1.00 C ATOM 411 O LEU A 30 52.706 -14.563 0.390 1.00 1.00 O ATOM 412 CB LEU A 30 53.036 -17.064 -1.166 1.00 1.00 C ATOM 413 CG LEU A 30 54.439 -17.130 -1.772 1.00 1.00 C ATOM 414 CD1 LEU A 30 55.436 -17.587 -0.706 1.00 1.00 C ATOM 415 CD2 LEU A 30 54.445 -18.126 -2.934 1.00 1.00 C ATOM 0 H LEU A 30 53.484 -15.190 -3.289 1.00 1.00 H new ATOM 0 HA LEU A 30 51.258 -15.892 -1.483 1.00 1.00 H new ATOM 0 HB2 LEU A 30 53.098 -17.074 -0.078 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.460 -17.941 -1.461 1.00 1.00 H new ATOM 0 HG LEU A 30 54.724 -16.143 -2.136 1.00 1.00 H new ATOM 0 HD11 LEU A 30 56.435 -17.634 -1.139 1.00 1.00 H new ATOM 0 HD12 LEU A 30 55.432 -16.879 0.123 1.00 1.00 H new ATOM 0 HD13 LEU A 30 55.152 -18.574 -0.341 1.00 1.00 H new ATOM 0 HD21 LEU A 30 55.444 -18.174 -3.367 1.00 1.00 H new ATOM 0 HD22 LEU A 30 54.160 -19.113 -2.569 1.00 1.00 H new ATOM 0 HD23 LEU A 30 53.735 -17.802 -3.695 1.00 1.00 H new ATOM 427 N ILE A 31 53.416 -13.622 -1.527 1.00 1.00 N ATOM 428 CA ILE A 31 53.935 -12.434 -0.863 1.00 1.00 C ATOM 429 C ILE A 31 52.803 -11.467 -0.495 1.00 1.00 C ATOM 430 O ILE A 31 52.835 -10.854 0.572 1.00 1.00 O ATOM 431 CB ILE A 31 54.979 -11.745 -1.764 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.382 -12.143 -1.297 1.00 1.00 C ATOM 433 CG2 ILE A 31 54.847 -10.218 -1.695 1.00 1.00 C ATOM 434 CD1 ILE A 31 56.521 -13.666 -1.331 1.00 1.00 C ATOM 0 H ILE A 31 53.536 -13.631 -2.540 1.00 1.00 H new ATOM 0 HA ILE A 31 54.419 -12.738 0.065 1.00 1.00 H new ATOM 0 HB ILE A 31 54.811 -12.063 -2.793 1.00 1.00 H new ATOM 0 HG12 ILE A 31 57.134 -11.685 -1.939 1.00 1.00 H new ATOM 0 HG13 ILE A 31 56.558 -11.774 -0.287 1.00 1.00 H new ATOM 0 HG21 ILE A 31 55.596 -9.759 -2.340 1.00 1.00 H new ATOM 0 HG22 ILE A 31 53.852 -9.923 -2.027 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.000 -9.886 -0.668 1.00 1.00 H new ATOM 0 HD11 ILE A 31 57.520 -13.948 -0.998 1.00 1.00 H new ATOM 0 HD12 ILE A 31 55.779 -14.114 -0.670 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.363 -14.023 -2.349 1.00 1.00 H new ATOM 446 N PRO A 32 51.812 -11.311 -1.343 1.00 1.00 N ATOM 447 CA PRO A 32 50.673 -10.394 -1.076 1.00 1.00 C ATOM 448 C PRO A 32 49.555 -11.076 -0.292 1.00 1.00 C ATOM 449 O PRO A 32 48.500 -10.486 -0.057 1.00 1.00 O ATOM 450 CB PRO A 32 50.206 -10.012 -2.479 1.00 1.00 C ATOM 451 CG PRO A 32 50.556 -11.175 -3.354 1.00 1.00 C ATOM 452 CD PRO A 32 51.656 -11.979 -2.644 1.00 1.00 C ATOM 0 HA PRO A 32 50.959 -9.540 -0.462 1.00 1.00 H new ATOM 0 HB2 PRO A 32 49.133 -9.819 -2.495 1.00 1.00 H new ATOM 0 HB3 PRO A 32 50.699 -9.102 -2.821 1.00 1.00 H new ATOM 0 HG2 PRO A 32 49.680 -11.799 -3.530 1.00 1.00 H new ATOM 0 HG3 PRO A 32 50.903 -10.830 -4.328 1.00 1.00 H new ATOM 0 HD2 PRO A 32 51.370 -13.024 -2.523 1.00 1.00 H new ATOM 0 HD3 PRO A 32 52.587 -11.967 -3.211 1.00 1.00 H new ATOM 460 N ALA A 33 49.794 -12.319 0.110 1.00 1.00 N ATOM 461 CA ALA A 33 48.799 -13.072 0.866 1.00 1.00 C ATOM 462 C ALA A 33 49.128 -13.049 2.355 1.00 1.00 C ATOM 463 O ALA A 33 48.450 -13.690 3.160 1.00 1.00 O ATOM 464 CB ALA A 33 48.753 -14.519 0.373 1.00 1.00 C ATOM 0 H ALA A 33 50.661 -12.824 -0.073 1.00 1.00 H new ATOM 0 HA ALA A 33 47.825 -12.606 0.714 1.00 1.00 H new ATOM 0 HB1 ALA A 33 48.008 -15.074 0.943 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.488 -14.535 -0.684 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.731 -14.981 0.508 1.00 1.00 H new ATOM 470 N ILE A 34 50.172 -12.310 2.715 1.00 1.00 N ATOM 471 CA ILE A 34 50.581 -12.214 4.112 1.00 1.00 C ATOM 472 C ILE A 34 51.001 -10.787 4.449 1.00 1.00 C ATOM 473 O ILE A 34 50.671 -10.268 5.515 1.00 1.00 O ATOM 474 CB ILE A 34 51.746 -13.167 4.382 1.00 1.00 C ATOM 475 CG1 ILE A 34 51.575 -14.431 3.535 1.00 1.00 C ATOM 476 CG2 ILE A 34 51.764 -13.546 5.863 1.00 1.00 C ATOM 477 CD1 ILE A 34 52.637 -15.458 3.930 1.00 1.00 C ATOM 0 H ILE A 34 50.746 -11.773 2.065 1.00 1.00 H new ATOM 0 HA ILE A 34 49.733 -12.490 4.739 1.00 1.00 H new ATOM 0 HB ILE A 34 52.684 -12.677 4.122 1.00 1.00 H new ATOM 0 HG12 ILE A 34 50.579 -14.848 3.682 1.00 1.00 H new ATOM 0 HG13 ILE A 34 51.666 -14.187 2.476 1.00 1.00 H new ATOM 0 HG21 ILE A 34 52.595 -14.225 6.055 1.00 1.00 H new ATOM 0 HG22 ILE A 34 51.884 -12.647 6.467 1.00 1.00 H new ATOM 0 HG23 ILE A 34 50.826 -14.037 6.124 1.00 1.00 H new ATOM 0 HD11 ILE A 34 52.515 -16.358 3.327 1.00 1.00 H new ATOM 0 HD12 ILE A 34 53.629 -15.039 3.761 1.00 1.00 H new ATOM 0 HD13 ILE A 34 52.525 -15.710 4.985 1.00 1.00 H new ATOM 489 N TYR A 35 51.730 -10.158 3.534 1.00 1.00 N ATOM 490 CA TYR A 35 52.189 -8.790 3.745 1.00 1.00 C ATOM 491 C TYR A 35 51.045 -7.803 3.539 1.00 1.00 C ATOM 492 O TYR A 35 51.268 -6.643 3.194 1.00 1.00 O ATOM 493 CB TYR A 35 53.328 -8.465 2.776 1.00 1.00 C ATOM 494 CG TYR A 35 54.607 -9.096 3.272 1.00 1.00 C ATOM 495 CD1 TYR A 35 54.789 -10.480 3.171 1.00 1.00 C ATOM 496 CD2 TYR A 35 55.609 -8.297 3.836 1.00 1.00 C ATOM 497 CE1 TYR A 35 55.975 -11.066 3.632 1.00 1.00 C ATOM 498 CE2 TYR A 35 56.794 -8.882 4.297 1.00 1.00 C ATOM 499 CZ TYR A 35 56.977 -10.266 4.195 1.00 1.00 C ATOM 500 OH TYR A 35 58.146 -10.843 4.650 1.00 1.00 O ATOM 0 H TYR A 35 52.014 -10.570 2.645 1.00 1.00 H new ATOM 0 HA TYR A 35 52.549 -8.702 4.770 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.089 -8.837 1.780 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.451 -7.385 2.692 1.00 1.00 H new ATOM 0 HD1 TYR A 35 54.015 -11.096 2.738 1.00 1.00 H new ATOM 0 HD2 TYR A 35 55.467 -7.229 3.915 1.00 1.00 H new ATOM 0 HE1 TYR A 35 56.116 -12.134 3.553 1.00 1.00 H new ATOM 0 HE2 TYR A 35 57.567 -8.266 4.731 1.00 1.00 H new ATOM 0 HH TYR A 35 58.735 -10.148 5.010 1.00 1.00 H new ATOM 510 N MET A 36 49.820 -8.273 3.752 1.00 1.00 N ATOM 511 CA MET A 36 48.646 -7.423 3.588 1.00 1.00 C ATOM 512 C MET A 36 47.660 -7.645 4.732 1.00 1.00 C ATOM 513 O MET A 36 47.212 -6.694 5.371 1.00 1.00 O ATOM 514 CB MET A 36 47.962 -7.731 2.255 1.00 1.00 C ATOM 515 CG MET A 36 48.996 -7.695 1.129 1.00 1.00 C ATOM 516 SD MET A 36 49.711 -6.036 1.019 1.00 1.00 S ATOM 517 CE MET A 36 51.201 -6.491 0.099 1.00 1.00 C ATOM 0 H MET A 36 49.615 -9.231 4.037 1.00 1.00 H new ATOM 0 HA MET A 36 48.969 -6.382 3.599 1.00 1.00 H new ATOM 0 HB2 MET A 36 47.488 -8.712 2.296 1.00 1.00 H new ATOM 0 HB3 MET A 36 47.174 -7.003 2.062 1.00 1.00 H new ATOM 0 HG2 MET A 36 49.780 -8.429 1.317 1.00 1.00 H new ATOM 0 HG3 MET A 36 48.528 -7.964 0.182 1.00 1.00 H new ATOM 0 HE1 MET A 36 51.803 -5.600 -0.083 1.00 1.00 H new ATOM 0 HE2 MET A 36 51.781 -7.209 0.679 1.00 1.00 H new ATOM 0 HE3 MET A 36 50.918 -6.938 -0.854 1.00 1.00 H new ATOM 527 N LEU A 37 47.328 -8.907 4.982 1.00 1.00 N ATOM 528 CA LEU A 37 46.395 -9.243 6.051 1.00 1.00 C ATOM 529 C LEU A 37 47.085 -9.162 7.409 1.00 1.00 C ATOM 530 O LEU A 37 46.585 -9.687 8.404 1.00 1.00 O ATOM 531 CB LEU A 37 45.843 -10.653 5.840 1.00 1.00 C ATOM 532 CG LEU A 37 45.093 -10.715 4.508 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.297 -12.091 3.871 1.00 1.00 C ATOM 534 CD2 LEU A 37 43.600 -10.484 4.755 1.00 1.00 C ATOM 0 H LEU A 37 47.688 -9.708 4.464 1.00 1.00 H new ATOM 0 HA LEU A 37 45.574 -8.526 6.030 1.00 1.00 H new ATOM 0 HB2 LEU A 37 46.657 -11.378 5.845 1.00 1.00 H new ATOM 0 HB3 LEU A 37 45.174 -10.919 6.659 1.00 1.00 H new ATOM 0 HG LEU A 37 45.476 -9.945 3.838 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.763 -12.135 2.922 1.00 1.00 H new ATOM 0 HD12 LEU A 37 46.360 -12.257 3.697 1.00 1.00 H new ATOM 0 HD13 LEU A 37 44.914 -12.862 4.540 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.063 -10.528 3.807 1.00 1.00 H new ATOM 0 HD22 LEU A 37 43.218 -11.255 5.424 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.454 -9.504 5.210 1.00 1.00 H new ATOM 546 N VAL A 38 48.239 -8.501 7.441 1.00 1.00 N ATOM 547 CA VAL A 38 48.992 -8.357 8.682 1.00 1.00 C ATOM 548 C VAL A 38 49.523 -6.934 8.824 1.00 1.00 C ATOM 549 O VAL A 38 49.250 -6.255 9.813 1.00 1.00 O ATOM 550 CB VAL A 38 50.160 -9.345 8.702 1.00 1.00 C ATOM 551 CG1 VAL A 38 50.827 -9.319 10.077 1.00 1.00 C ATOM 552 CG2 VAL A 38 49.638 -10.755 8.415 1.00 1.00 C ATOM 0 H VAL A 38 48.670 -8.060 6.628 1.00 1.00 H new ATOM 0 HA VAL A 38 48.324 -8.568 9.517 1.00 1.00 H new ATOM 0 HB VAL A 38 50.888 -9.064 7.941 1.00 1.00 H new ATOM 0 HG11 VAL A 38 51.659 -10.023 10.091 1.00 1.00 H new ATOM 0 HG12 VAL A 38 51.198 -8.315 10.283 1.00 1.00 H new ATOM 0 HG13 VAL A 38 50.100 -9.601 10.839 1.00 1.00 H new ATOM 0 HG21 VAL A 38 50.469 -11.460 8.429 1.00 1.00 H new ATOM 0 HG22 VAL A 38 48.911 -11.036 9.177 1.00 1.00 H new ATOM 0 HG23 VAL A 38 49.162 -10.774 7.435 1.00 1.00 H new ATOM 562 N PHE A 39 50.284 -6.490 7.828 1.00 1.00 N ATOM 563 CA PHE A 39 50.847 -5.146 7.852 1.00 1.00 C ATOM 564 C PHE A 39 49.814 -4.140 8.350 1.00 1.00 C ATOM 565 O PHE A 39 50.071 -3.384 9.287 1.00 1.00 O ATOM 566 CB PHE A 39 51.313 -4.750 6.450 1.00 1.00 C ATOM 567 CG PHE A 39 52.465 -3.779 6.557 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.740 -4.240 6.906 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.257 -2.417 6.307 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.807 -3.339 7.006 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.324 -1.516 6.406 1.00 1.00 C ATOM 572 CZ PHE A 39 54.599 -1.977 6.756 1.00 1.00 C ATOM 0 H PHE A 39 50.523 -7.037 7.001 1.00 1.00 H new ATOM 0 HA PHE A 39 51.698 -5.142 8.533 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.621 -5.636 5.894 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.491 -4.296 5.897 1.00 1.00 H new ATOM 0 HD1 PHE A 39 53.901 -5.291 7.098 1.00 1.00 H new ATOM 0 HD2 PHE A 39 51.273 -2.062 6.038 1.00 1.00 H new ATOM 0 HE1 PHE A 39 55.790 -3.694 7.276 1.00 1.00 H new ATOM 0 HE2 PHE A 39 53.164 -0.466 6.212 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.422 -1.282 6.833 1.00 1.00 H new ATOM 582 N LEU A 40 48.645 -4.138 7.717 1.00 1.00 N ATOM 583 CA LEU A 40 47.579 -3.221 8.105 1.00 1.00 C ATOM 584 C LEU A 40 46.611 -3.901 9.067 1.00 1.00 C ATOM 585 O LEU A 40 45.421 -4.028 8.779 1.00 1.00 O ATOM 586 CB LEU A 40 46.820 -2.748 6.864 1.00 1.00 C ATOM 587 CG LEU A 40 47.765 -1.959 5.956 1.00 1.00 C ATOM 588 CD1 LEU A 40 47.501 -2.332 4.497 1.00 1.00 C ATOM 589 CD2 LEU A 40 47.524 -0.460 6.151 1.00 1.00 C ATOM 0 H LEU A 40 48.413 -4.756 6.939 1.00 1.00 H new ATOM 0 HA LEU A 40 48.028 -2.363 8.605 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.412 -3.604 6.326 1.00 1.00 H new ATOM 0 HB3 LEU A 40 45.976 -2.124 7.157 1.00 1.00 H new ATOM 0 HG LEU A 40 48.798 -2.198 6.210 1.00 1.00 H new ATOM 0 HD11 LEU A 40 48.174 -1.770 3.850 1.00 1.00 H new ATOM 0 HD12 LEU A 40 47.671 -3.400 4.358 1.00 1.00 H new ATOM 0 HD13 LEU A 40 46.469 -2.093 4.241 1.00 1.00 H new ATOM 0 HD21 LEU A 40 48.197 0.104 5.505 1.00 1.00 H new ATOM 0 HD22 LEU A 40 46.491 -0.221 5.896 1.00 1.00 H new ATOM 0 HD23 LEU A 40 47.712 -0.194 7.191 1.00 1.00 H new ATOM 601 N LEU A 41 47.130 -4.339 10.209 1.00 1.00 N ATOM 602 CA LEU A 41 46.300 -5.005 11.208 1.00 1.00 C ATOM 603 C LEU A 41 47.084 -5.207 12.500 1.00 1.00 C ATOM 604 O LEU A 41 46.727 -4.663 13.545 1.00 1.00 O ATOM 605 CB LEU A 41 45.824 -6.360 10.665 1.00 1.00 C ATOM 606 CG LEU A 41 45.159 -7.180 11.778 1.00 1.00 C ATOM 607 CD1 LEU A 41 44.115 -6.327 12.503 1.00 1.00 C ATOM 608 CD2 LEU A 41 44.471 -8.400 11.161 1.00 1.00 C ATOM 0 H LEU A 41 48.113 -4.246 10.465 1.00 1.00 H new ATOM 0 HA LEU A 41 45.434 -4.379 11.422 1.00 1.00 H new ATOM 0 HB2 LEU A 41 45.119 -6.204 9.849 1.00 1.00 H new ATOM 0 HB3 LEU A 41 46.670 -6.912 10.254 1.00 1.00 H new ATOM 0 HG LEU A 41 45.919 -7.501 12.491 1.00 1.00 H new ATOM 0 HD11 LEU A 41 43.648 -6.917 13.292 1.00 1.00 H new ATOM 0 HD12 LEU A 41 44.599 -5.454 12.941 1.00 1.00 H new ATOM 0 HD13 LEU A 41 43.354 -6.002 11.793 1.00 1.00 H new ATOM 0 HD21 LEU A 41 43.997 -8.987 11.948 1.00 1.00 H new ATOM 0 HD22 LEU A 41 43.715 -8.070 10.448 1.00 1.00 H new ATOM 0 HD23 LEU A 41 45.211 -9.014 10.647 1.00 1.00 H new ATOM 620 N GLY A 42 48.153 -5.991 12.422 1.00 1.00 N ATOM 621 CA GLY A 42 48.981 -6.258 13.593 1.00 1.00 C ATOM 622 C GLY A 42 49.473 -4.957 14.219 1.00 1.00 C ATOM 623 O GLY A 42 50.091 -4.965 15.284 1.00 1.00 O ATOM 0 H GLY A 42 48.466 -6.450 11.567 1.00 1.00 H new ATOM 0 HA2 GLY A 42 48.408 -6.826 14.327 1.00 1.00 H new ATOM 0 HA3 GLY A 42 49.834 -6.874 13.308 1.00 1.00 H new ATOM 627 N THR A 43 49.196 -3.843 13.551 1.00 1.00 N ATOM 628 CA THR A 43 49.616 -2.539 14.052 1.00 1.00 C ATOM 629 C THR A 43 48.559 -1.482 13.749 1.00 1.00 C ATOM 630 O THR A 43 47.631 -1.276 14.532 1.00 1.00 O ATOM 631 CB THR A 43 50.943 -2.135 13.408 1.00 1.00 C ATOM 632 OG1 THR A 43 51.029 -0.717 13.352 1.00 1.00 O ATOM 633 CG2 THR A 43 51.022 -2.708 11.992 1.00 1.00 C ATOM 0 H THR A 43 48.686 -3.816 12.668 1.00 1.00 H new ATOM 0 HA THR A 43 49.743 -2.610 15.132 1.00 1.00 H new ATOM 0 HB THR A 43 51.768 -2.527 14.002 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.880 -0.457 12.941 1.00 1.00 H new ATOM 0 HG21 THR A 43 51.968 -2.419 11.535 1.00 1.00 H new ATOM 0 HG22 THR A 43 50.957 -3.795 12.035 1.00 1.00 H new ATOM 0 HG23 THR A 43 50.197 -2.319 11.395 1.00 1.00 H new ATOM 641 N THR A 44 48.704 -0.816 12.608 1.00 1.00 N ATOM 642 CA THR A 44 47.756 0.217 12.212 1.00 1.00 C ATOM 643 C THR A 44 47.610 1.261 13.314 1.00 1.00 C ATOM 644 O THR A 44 46.753 2.143 13.238 1.00 1.00 O ATOM 645 CB THR A 44 46.392 -0.409 11.915 1.00 1.00 C ATOM 646 OG1 THR A 44 45.606 -0.411 13.099 1.00 1.00 O ATOM 647 CG2 THR A 44 46.582 -1.845 11.425 1.00 1.00 C ATOM 0 H THR A 44 49.464 -0.972 11.946 1.00 1.00 H new ATOM 0 HA THR A 44 48.134 0.704 11.313 1.00 1.00 H new ATOM 0 HB THR A 44 45.887 0.171 11.143 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.127 -0.792 13.837 1.00 1.00 H new ATOM 0 HG21 THR A 44 45.609 -2.289 11.214 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.185 -1.843 10.517 1.00 1.00 H new ATOM 0 HG23 THR A 44 47.088 -2.428 12.195 1.00 1.00 H new ATOM 655 N GLY A 45 48.450 1.155 14.337 1.00 1.00 N ATOM 656 CA GLY A 45 48.406 2.095 15.450 1.00 1.00 C ATOM 657 C GLY A 45 47.377 1.661 16.488 1.00 1.00 C ATOM 658 O GLY A 45 46.826 2.489 17.214 1.00 1.00 O ATOM 0 H GLY A 45 49.165 0.432 14.419 1.00 1.00 H new ATOM 0 HA2 GLY A 45 49.390 2.162 15.914 1.00 1.00 H new ATOM 0 HA3 GLY A 45 48.159 3.090 15.081 1.00 1.00 H new ATOM 662 N ASN A 46 47.124 0.358 16.554 1.00 1.00 N ATOM 663 CA ASN A 46 46.158 -0.177 17.507 1.00 1.00 C ATOM 664 C ASN A 46 46.699 -1.442 18.166 1.00 1.00 C ATOM 665 O ASN A 46 46.010 -2.082 18.962 1.00 1.00 O ATOM 666 CB ASN A 46 44.842 -0.494 16.796 1.00 1.00 C ATOM 667 CG ASN A 46 44.678 -2.003 16.652 1.00 1.00 C ATOM 668 OD1 ASN A 46 43.765 -2.587 17.236 1.00 1.00 O ATOM 669 ND2 ASN A 46 45.513 -2.672 15.906 1.00 1.00 N ATOM 0 H ASN A 46 47.571 -0.343 15.963 1.00 1.00 H new ATOM 0 HA ASN A 46 45.983 0.574 18.277 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.006 -0.081 17.360 1.00 1.00 H new ATOM 0 HB3 ASN A 46 44.827 -0.023 15.813 1.00 1.00 H new ATOM 0 HD21 ASN A 46 45.411 -3.682 15.805 1.00 1.00 H new ATOM 0 HD22 ASN A 46 46.268 -2.185 15.423 1.00 1.00 H new ATOM 676 N GLY A 47 47.936 -1.796 17.830 1.00 1.00 N ATOM 677 CA GLY A 47 48.560 -2.987 18.395 1.00 1.00 C ATOM 678 C GLY A 47 49.589 -2.612 19.455 1.00 1.00 C ATOM 679 O GLY A 47 49.915 -3.418 20.327 1.00 1.00 O ATOM 0 H GLY A 47 48.522 -1.279 17.174 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.796 -3.628 18.835 1.00 1.00 H new ATOM 0 HA3 GLY A 47 49.041 -3.561 17.603 1.00 1.00 H new ATOM 683 N LEU A 48 50.097 -1.385 19.370 1.00 1.00 N ATOM 684 CA LEU A 48 51.091 -0.903 20.324 1.00 1.00 C ATOM 685 C LEU A 48 50.530 0.255 21.143 1.00 1.00 C ATOM 686 O LEU A 48 51.275 0.975 21.809 1.00 1.00 O ATOM 687 CB LEU A 48 52.354 -0.443 19.586 1.00 1.00 C ATOM 688 CG LEU A 48 52.085 -0.370 18.080 1.00 1.00 C ATOM 689 CD1 LEU A 48 53.244 0.355 17.392 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.966 -1.786 17.506 1.00 1.00 C ATOM 0 H LEU A 48 49.837 -0.708 18.652 1.00 1.00 H new ATOM 0 HA LEU A 48 51.344 -1.723 20.996 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.665 0.534 19.956 1.00 1.00 H new ATOM 0 HB3 LEU A 48 53.173 -1.135 19.784 1.00 1.00 H new ATOM 0 HG LEU A 48 51.155 0.171 17.907 1.00 1.00 H new ATOM 0 HD11 LEU A 48 53.055 0.408 16.320 1.00 1.00 H new ATOM 0 HD12 LEU A 48 53.333 1.364 17.795 1.00 1.00 H new ATOM 0 HD13 LEU A 48 54.171 -0.190 17.570 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.775 -1.729 16.434 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.895 -2.329 17.680 1.00 1.00 H new ATOM 0 HD23 LEU A 48 51.143 -2.309 17.994 1.00 1.00 H new ATOM 702 N VAL A 49 49.212 0.428 21.089 1.00 1.00 N ATOM 703 CA VAL A 49 48.557 1.502 21.829 1.00 1.00 C ATOM 704 C VAL A 49 47.349 0.969 22.592 1.00 1.00 C ATOM 705 O VAL A 49 47.044 1.429 23.692 1.00 1.00 O ATOM 706 CB VAL A 49 48.110 2.601 20.865 1.00 1.00 C ATOM 707 CG1 VAL A 49 47.441 3.730 21.652 1.00 1.00 C ATOM 708 CG2 VAL A 49 49.328 3.152 20.121 1.00 1.00 C ATOM 0 H VAL A 49 48.580 -0.158 20.544 1.00 1.00 H new ATOM 0 HA VAL A 49 49.270 1.913 22.544 1.00 1.00 H new ATOM 0 HB VAL A 49 47.401 2.188 20.148 1.00 1.00 H new ATOM 0 HG11 VAL A 49 47.122 4.514 20.965 1.00 1.00 H new ATOM 0 HG12 VAL A 49 46.574 3.339 22.183 1.00 1.00 H new ATOM 0 HG13 VAL A 49 48.150 4.143 22.369 1.00 1.00 H new ATOM 0 HG21 VAL A 49 49.010 3.936 19.433 1.00 1.00 H new ATOM 0 HG22 VAL A 49 50.037 3.565 20.839 1.00 1.00 H new ATOM 0 HG23 VAL A 49 49.806 2.349 19.560 1.00 1.00 H new ATOM 718 N LEU A 50 46.663 -0.004 21.999 1.00 1.00 N ATOM 719 CA LEU A 50 45.487 -0.591 22.633 1.00 1.00 C ATOM 720 C LEU A 50 45.832 -1.939 23.259 1.00 1.00 C ATOM 721 O LEU A 50 45.822 -2.087 24.480 1.00 1.00 O ATOM 722 CB LEU A 50 44.374 -0.777 21.600 1.00 1.00 C ATOM 723 CG LEU A 50 43.140 -1.370 22.280 1.00 1.00 C ATOM 724 CD1 LEU A 50 41.910 -0.531 21.926 1.00 1.00 C ATOM 725 CD2 LEU A 50 42.932 -2.806 21.796 1.00 1.00 C ATOM 0 H LEU A 50 46.898 -0.400 21.089 1.00 1.00 H new ATOM 0 HA LEU A 50 45.146 0.085 23.417 1.00 1.00 H new ATOM 0 HB2 LEU A 50 44.125 0.180 21.142 1.00 1.00 H new ATOM 0 HB3 LEU A 50 44.713 -1.435 20.800 1.00 1.00 H new ATOM 0 HG LEU A 50 43.284 -1.367 23.360 1.00 1.00 H new ATOM 0 HD11 LEU A 50 41.030 -0.953 22.411 1.00 1.00 H new ATOM 0 HD12 LEU A 50 42.057 0.493 22.269 1.00 1.00 H new ATOM 0 HD13 LEU A 50 41.766 -0.534 20.846 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.052 -3.229 22.281 1.00 1.00 H new ATOM 0 HD22 LEU A 50 42.788 -2.809 20.716 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.808 -3.405 22.046 1.00 1.00 H new ATOM 737 N TRP A 51 46.136 -2.918 22.413 1.00 1.00 N ATOM 738 CA TRP A 51 46.482 -4.250 22.895 1.00 1.00 C ATOM 739 C TRP A 51 47.567 -4.170 23.963 1.00 1.00 C ATOM 740 O TRP A 51 47.593 -4.973 24.896 1.00 1.00 O ATOM 741 CB TRP A 51 46.971 -5.116 21.731 1.00 1.00 C ATOM 742 CG TRP A 51 47.955 -6.120 22.237 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.224 -6.258 21.788 1.00 1.00 C ATOM 744 CD2 TRP A 51 47.777 -7.128 23.275 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.836 -7.285 22.484 1.00 1.00 N ATOM 746 CE2 TRP A 51 48.984 -7.853 23.412 1.00 1.00 C ATOM 747 CE3 TRP A 51 46.696 -7.480 24.102 1.00 1.00 C ATOM 748 CZ2 TRP A 51 49.114 -8.889 24.336 1.00 1.00 C ATOM 749 CZ3 TRP A 51 46.822 -8.523 25.034 1.00 1.00 C ATOM 750 CH2 TRP A 51 48.030 -9.226 25.151 1.00 1.00 C ATOM 0 H TRP A 51 46.150 -2.816 21.398 1.00 1.00 H new ATOM 0 HA TRP A 51 45.591 -4.699 23.333 1.00 1.00 H new ATOM 0 HB2 TRP A 51 46.128 -5.622 21.261 1.00 1.00 H new ATOM 0 HB3 TRP A 51 47.433 -4.491 20.967 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.684 -5.663 21.013 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.798 -7.586 22.331 1.00 1.00 H new ATOM 0 HE3 TRP A 51 45.762 -6.944 24.020 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 50.046 -9.427 24.421 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 45.985 -8.785 25.664 1.00 1.00 H new ATOM 0 HH2 TRP A 51 48.122 -10.027 25.870 1.00 1.00 H new ATOM 761 N THR A 52 48.461 -3.197 23.821 1.00 1.00 N ATOM 762 CA THR A 52 49.544 -3.022 24.782 1.00 1.00 C ATOM 763 C THR A 52 48.987 -2.754 26.176 1.00 1.00 C ATOM 764 O THR A 52 49.675 -2.948 27.178 1.00 1.00 O ATOM 765 CB THR A 52 50.438 -1.855 24.355 1.00 1.00 C ATOM 766 OG1 THR A 52 51.589 -1.815 25.188 1.00 1.00 O ATOM 767 CG2 THR A 52 49.664 -0.542 24.486 1.00 1.00 C ATOM 0 H THR A 52 48.458 -2.522 23.056 1.00 1.00 H new ATOM 0 HA THR A 52 50.132 -3.940 24.809 1.00 1.00 H new ATOM 0 HB THR A 52 50.744 -1.990 23.318 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.164 -1.070 24.916 1.00 1.00 H new ATOM 0 HG21 THR A 52 50.302 0.288 24.182 1.00 1.00 H new ATOM 0 HG22 THR A 52 48.781 -0.575 23.847 1.00 1.00 H new ATOM 0 HG23 THR A 52 49.357 -0.403 25.522 1.00 1.00 H new ATOM 775 N VAL A 53 47.736 -2.309 26.233 1.00 1.00 N ATOM 776 CA VAL A 53 47.097 -2.019 27.511 1.00 1.00 C ATOM 777 C VAL A 53 47.044 -3.271 28.379 1.00 1.00 C ATOM 778 O VAL A 53 47.071 -3.189 29.607 1.00 1.00 O ATOM 779 CB VAL A 53 45.679 -1.495 27.279 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.003 -1.235 28.627 1.00 1.00 C ATOM 781 CG2 VAL A 53 45.742 -0.190 26.482 1.00 1.00 C ATOM 0 H VAL A 53 47.149 -2.142 25.416 1.00 1.00 H new ATOM 0 HA VAL A 53 47.684 -1.259 28.026 1.00 1.00 H new ATOM 0 HB VAL A 53 45.106 -2.236 26.722 1.00 1.00 H new ATOM 0 HG11 VAL A 53 43.992 -0.862 28.461 1.00 1.00 H new ATOM 0 HG12 VAL A 53 44.958 -2.163 29.196 1.00 1.00 H new ATOM 0 HG13 VAL A 53 45.576 -0.495 29.185 1.00 1.00 H new ATOM 0 HG21 VAL A 53 44.732 0.184 26.316 1.00 1.00 H new ATOM 0 HG22 VAL A 53 46.316 0.550 27.040 1.00 1.00 H new ATOM 0 HG23 VAL A 53 46.223 -0.373 25.521 1.00 1.00 H new ATOM 791 N PHE A 54 46.970 -4.430 27.733 1.00 1.00 N ATOM 792 CA PHE A 54 46.915 -5.695 28.456 1.00 1.00 C ATOM 793 C PHE A 54 48.282 -6.372 28.448 1.00 1.00 C ATOM 794 O PHE A 54 48.400 -7.557 28.763 1.00 1.00 O ATOM 795 CB PHE A 54 45.880 -6.620 27.813 1.00 1.00 C ATOM 796 CG PHE A 54 44.677 -6.735 28.719 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.710 -5.723 28.731 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.529 -7.855 29.546 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.595 -5.830 29.570 1.00 1.00 C ATOM 800 CE2 PHE A 54 43.413 -7.962 30.385 1.00 1.00 C ATOM 801 CZ PHE A 54 42.446 -6.950 30.397 1.00 1.00 C ATOM 0 H PHE A 54 46.947 -4.520 26.717 1.00 1.00 H new ATOM 0 HA PHE A 54 46.627 -5.493 29.488 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.581 -6.228 26.841 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.314 -7.605 27.640 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.824 -4.859 28.093 1.00 1.00 H new ATOM 0 HD2 PHE A 54 45.275 -8.636 29.537 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.849 -5.049 29.580 1.00 1.00 H new ATOM 0 HE2 PHE A 54 43.298 -8.826 31.023 1.00 1.00 H new ATOM 0 HZ PHE A 54 41.585 -7.033 31.044 1.00 1.00 H new ATOM 811 N ARG A 55 49.311 -5.613 28.084 1.00 1.00 N ATOM 812 CA ARG A 55 50.665 -6.151 28.038 1.00 1.00 C ATOM 813 C ARG A 55 51.431 -5.787 29.305 1.00 1.00 C ATOM 814 O ARG A 55 51.968 -6.659 29.989 1.00 1.00 O ATOM 815 CB ARG A 55 51.404 -5.600 26.816 1.00 1.00 C ATOM 816 CG ARG A 55 52.847 -6.106 26.822 1.00 1.00 C ATOM 817 CD ARG A 55 53.252 -6.513 25.405 1.00 1.00 C ATOM 818 NE ARG A 55 52.652 -7.796 25.058 1.00 1.00 N ATOM 819 CZ ARG A 55 53.015 -8.448 23.957 1.00 1.00 C ATOM 820 NH1 ARG A 55 53.921 -7.942 23.167 1.00 1.00 N ATOM 821 NH2 ARG A 55 52.463 -9.595 23.667 1.00 1.00 N ATOM 0 H ARG A 55 49.234 -4.631 27.819 1.00 1.00 H new ATOM 0 HA ARG A 55 50.602 -7.237 27.966 1.00 1.00 H new ATOM 0 HB2 ARG A 55 50.901 -5.914 25.901 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.389 -4.510 26.830 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.515 -5.328 27.193 1.00 1.00 H new ATOM 0 HG3 ARG A 55 52.942 -6.956 27.497 1.00 1.00 H new ATOM 0 HD2 ARG A 55 52.933 -5.750 24.695 1.00 1.00 H new ATOM 0 HD3 ARG A 55 54.338 -6.580 25.334 1.00 1.00 H new ATOM 0 HE ARG A 55 51.943 -8.200 25.669 1.00 1.00 H new ATOM 0 HH11 ARG A 55 54.352 -7.046 23.393 1.00 1.00 H new ATOM 0 HH12 ARG A 55 54.199 -8.443 22.323 1.00 1.00 H new ATOM 0 HH21 ARG A 55 51.754 -9.990 24.285 1.00 1.00 H new ATOM 0 HH22 ARG A 55 52.741 -10.096 22.823 1.00 1.00 H new ATOM 835 N LYS A 56 51.480 -4.494 29.613 1.00 1.00 N ATOM 836 CA LYS A 56 52.187 -4.031 30.801 1.00 1.00 C ATOM 837 C LYS A 56 51.546 -4.599 32.063 1.00 1.00 C ATOM 838 O LYS A 56 52.232 -4.891 33.042 1.00 1.00 O ATOM 839 CB LYS A 56 52.172 -2.503 30.861 1.00 1.00 C ATOM 840 CG LYS A 56 50.726 -2.003 30.865 1.00 1.00 C ATOM 841 CD LYS A 56 50.578 -0.876 29.843 1.00 1.00 C ATOM 842 CE LYS A 56 49.235 -0.172 30.047 1.00 1.00 C ATOM 843 NZ LYS A 56 48.190 -1.182 30.379 1.00 1.00 N ATOM 0 H LYS A 56 51.043 -3.755 29.062 1.00 1.00 H new ATOM 0 HA LYS A 56 53.218 -4.379 30.743 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.689 -2.159 31.757 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.708 -2.090 30.006 1.00 1.00 H new ATOM 0 HG2 LYS A 56 50.046 -2.820 30.624 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.455 -1.646 31.859 1.00 1.00 H new ATOM 0 HD2 LYS A 56 51.395 -0.162 29.953 1.00 1.00 H new ATOM 0 HD3 LYS A 56 50.640 -1.278 28.832 1.00 1.00 H new ATOM 0 HE2 LYS A 56 49.315 0.562 30.849 1.00 1.00 H new ATOM 0 HE3 LYS A 56 48.957 0.372 29.144 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 47.255 -0.816 30.109 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 48.380 -2.062 29.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 48.205 -1.374 31.401 1.00 1.00 H new ATOM 857 N LYS A 57 50.226 -4.754 32.033 1.00 1.00 N ATOM 858 CA LYS A 57 49.503 -5.289 33.180 1.00 1.00 C ATOM 859 C LYS A 57 49.692 -6.799 33.275 1.00 1.00 C ATOM 860 O LYS A 57 49.519 -7.390 34.341 1.00 1.00 O ATOM 861 CB LYS A 57 48.014 -4.965 33.054 1.00 1.00 C ATOM 862 CG LYS A 57 47.839 -3.461 32.842 1.00 1.00 C ATOM 863 CD LYS A 57 46.443 -3.039 33.302 1.00 1.00 C ATOM 864 CE LYS A 57 46.500 -2.590 34.763 1.00 1.00 C ATOM 865 NZ LYS A 57 45.115 -2.396 35.276 1.00 1.00 N ATOM 0 H LYS A 57 49.639 -4.518 31.233 1.00 1.00 H new ATOM 0 HA LYS A 57 49.900 -4.828 34.085 1.00 1.00 H new ATOM 0 HB2 LYS A 57 47.580 -5.514 32.218 1.00 1.00 H new ATOM 0 HB3 LYS A 57 47.484 -5.281 33.953 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.598 -2.914 33.401 1.00 1.00 H new ATOM 0 HG3 LYS A 57 47.977 -3.213 31.790 1.00 1.00 H new ATOM 0 HD2 LYS A 57 46.072 -2.228 32.676 1.00 1.00 H new ATOM 0 HD3 LYS A 57 45.746 -3.870 33.193 1.00 1.00 H new ATOM 0 HE2 LYS A 57 47.021 -3.335 35.364 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.064 -1.661 34.848 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.152 -2.091 36.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 44.633 -1.670 34.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 44.591 -3.292 35.209 1.00 1.00 H new ATOM 879 N GLY A 58 50.046 -7.418 32.154 1.00 1.00 N ATOM 880 CA GLY A 58 50.255 -8.861 32.121 1.00 1.00 C ATOM 881 C GLY A 58 50.646 -9.323 30.723 1.00 1.00 C ATOM 882 O GLY A 58 49.785 -9.620 29.893 1.00 1.00 O ATOM 0 H GLY A 58 50.193 -6.947 31.261 1.00 1.00 H new ATOM 0 HA2 GLY A 58 51.036 -9.136 32.830 1.00 1.00 H new ATOM 0 HA3 GLY A 58 49.345 -9.371 32.435 1.00 1.00 H new ATOM 886 N HIS A 59 51.949 -9.384 30.466 1.00 1.00 N ATOM 887 CA HIS A 59 52.442 -9.812 29.164 1.00 1.00 C ATOM 888 C HIS A 59 52.013 -11.246 28.872 1.00 1.00 C ATOM 889 O HIS A 59 52.008 -11.681 27.720 1.00 1.00 O ATOM 890 CB HIS A 59 53.968 -9.715 29.126 1.00 1.00 C ATOM 891 CG HIS A 59 54.547 -11.054 28.758 1.00 1.00 C ATOM 892 ND1 HIS A 59 54.886 -11.380 27.455 1.00 1.00 N ATOM 893 CD2 HIS A 59 54.854 -12.159 29.514 1.00 1.00 C ATOM 894 CE1 HIS A 59 55.371 -12.635 27.464 1.00 1.00 C ATOM 895 NE2 HIS A 59 55.374 -13.157 28.693 1.00 1.00 N ATOM 0 H HIS A 59 52.678 -9.144 31.138 1.00 1.00 H new ATOM 0 HA HIS A 59 52.018 -9.157 28.403 1.00 1.00 H new ATOM 0 HB2 HIS A 59 54.277 -8.962 28.401 1.00 1.00 H new ATOM 0 HB3 HIS A 59 54.347 -9.398 30.097 1.00 1.00 H new ATOM 0 HD2 HIS A 59 54.714 -12.241 30.582 1.00 1.00 H new ATOM 0 HE1 HIS A 59 55.716 -13.157 26.584 1.00 1.00 H new ATOM 0 HE2 HIS A 59 55.689 -14.086 28.971 1.00 1.00 H new ATOM 903 N HIS A 60 51.654 -11.976 29.924 1.00 1.00 N ATOM 904 CA HIS A 60 51.225 -13.362 29.768 1.00 1.00 C ATOM 905 C HIS A 60 49.823 -13.425 29.170 1.00 1.00 C ATOM 906 O HIS A 60 49.602 -13.001 28.036 1.00 1.00 O ATOM 907 CB HIS A 60 51.235 -14.067 31.125 1.00 1.00 C ATOM 908 CG HIS A 60 50.483 -13.237 32.128 1.00 1.00 C ATOM 909 ND1 HIS A 60 49.681 -12.131 31.987 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 50.506 -13.517 33.485 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 49.213 -11.730 33.235 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 49.740 -12.598 34.102 1.00 1.00 N flip ATOM 0 H HIS A 60 51.651 -11.635 30.885 1.00 1.00 H new ATOM 0 HA HIS A 60 51.918 -13.864 29.093 1.00 1.00 H new ATOM 0 HB2 HIS A 60 50.778 -15.053 31.038 1.00 1.00 H new ATOM 0 HB3 HIS A 60 52.261 -14.220 31.460 1.00 1.00 H new ATOM 0 HD2 HIS A 60 51.041 -14.325 33.961 1.00 1.00 H new ATOM 0 HE1 HIS A 60 48.563 -10.896 33.455 1.00 1.00 H new ATOM 0 HE2 HIS A 60 49.581 -12.568 35.109 1.00 1.00 H new ATOM 920 N HIS A 61 48.880 -13.955 29.941 1.00 1.00 N ATOM 921 CA HIS A 61 47.502 -14.068 29.477 1.00 1.00 C ATOM 922 C HIS A 61 46.630 -14.724 30.543 1.00 1.00 C ATOM 923 O HIS A 61 46.390 -15.931 30.507 1.00 1.00 O ATOM 924 CB HIS A 61 47.450 -14.896 28.193 1.00 1.00 C ATOM 925 CG HIS A 61 48.414 -16.046 28.297 1.00 1.00 C ATOM 926 ND1 HIS A 61 49.715 -15.964 27.828 1.00 1.00 N ATOM 927 CD2 HIS A 61 48.280 -17.310 28.815 1.00 1.00 C ATOM 928 CE1 HIS A 61 50.309 -17.147 28.070 1.00 1.00 C ATOM 929 NE2 HIS A 61 49.478 -18.003 28.670 1.00 1.00 N ATOM 0 H HIS A 61 49.042 -14.311 30.883 1.00 1.00 H new ATOM 0 HA HIS A 61 47.122 -13.066 29.279 1.00 1.00 H new ATOM 0 HB2 HIS A 61 46.439 -15.269 28.029 1.00 1.00 H new ATOM 0 HB3 HIS A 61 47.703 -14.273 27.335 1.00 1.00 H new ATOM 0 HD2 HIS A 61 47.382 -17.706 29.266 1.00 1.00 H new ATOM 0 HE1 HIS A 61 51.332 -17.376 27.811 1.00 1.00 H new ATOM 0 HE2 HIS A 61 49.679 -18.960 28.960 1.00 1.00 H new ATOM 937 N HIS A 62 46.159 -13.921 31.492 1.00 1.00 N ATOM 938 CA HIS A 62 45.314 -14.434 32.564 1.00 1.00 C ATOM 939 C HIS A 62 43.839 -14.215 32.235 1.00 1.00 C ATOM 940 O HIS A 62 42.970 -14.397 33.087 1.00 1.00 O ATOM 941 CB HIS A 62 45.655 -13.732 33.879 1.00 1.00 C ATOM 942 CG HIS A 62 44.785 -14.274 34.979 1.00 1.00 C ATOM 943 ND1 HIS A 62 43.633 -13.800 35.554 1.00 1.00 N flip ATOM 944 CD2 HIS A 62 45.070 -15.465 35.629 1.00 1.00 C flip ATOM 945 CE1 HIS A 62 43.209 -14.679 36.546 1.00 1.00 C flip ATOM 946 NE2 HIS A 62 44.110 -15.665 36.550 1.00 1.00 N flip ATOM 0 H HIS A 62 46.346 -12.920 31.541 1.00 1.00 H new ATOM 0 HA HIS A 62 45.497 -15.504 32.666 1.00 1.00 H new ATOM 0 HB2 HIS A 62 46.706 -13.886 34.123 1.00 1.00 H new ATOM 0 HB3 HIS A 62 45.505 -12.657 33.779 1.00 1.00 H new ATOM 0 HD2 HIS A 62 45.910 -16.114 35.432 1.00 1.00 H new ATOM 0 HE1 HIS A 62 42.338 -14.584 37.177 1.00 1.00 H new ATOM 0 HE2 HIS A 62 44.075 -16.471 37.175 1.00 1.00 H new ATOM 954 N HIS A 63 43.567 -13.826 30.993 1.00 1.00 N ATOM 955 CA HIS A 63 42.195 -13.585 30.562 1.00 1.00 C ATOM 956 C HIS A 63 41.444 -12.756 31.599 1.00 1.00 C ATOM 957 O HIS A 63 40.934 -13.291 32.585 1.00 1.00 O ATOM 958 CB HIS A 63 41.475 -14.918 30.350 1.00 1.00 C ATOM 959 CG HIS A 63 40.361 -14.734 29.357 1.00 1.00 C ATOM 960 ND1 HIS A 63 39.116 -14.244 29.724 1.00 1.00 N ATOM 961 CD2 HIS A 63 40.288 -14.968 28.006 1.00 1.00 C ATOM 962 CE1 HIS A 63 38.355 -14.200 28.616 1.00 1.00 C ATOM 963 NE2 HIS A 63 39.020 -14.630 27.540 1.00 1.00 N ATOM 0 H HIS A 63 44.273 -13.672 30.273 1.00 1.00 H new ATOM 0 HA HIS A 63 42.220 -13.032 29.623 1.00 1.00 H new ATOM 0 HB2 HIS A 63 42.177 -15.670 29.989 1.00 1.00 H new ATOM 0 HB3 HIS A 63 41.076 -15.283 31.297 1.00 1.00 H new ATOM 0 HD2 HIS A 63 41.092 -15.355 27.397 1.00 1.00 H new ATOM 0 HE1 HIS A 63 37.331 -13.858 28.598 1.00 1.00 H new ATOM 0 HE2 HIS A 63 38.673 -14.696 26.583 1.00 1.00 H new ATOM 971 N HIS A 64 41.377 -11.450 31.370 1.00 1.00 N ATOM 972 CA HIS A 64 40.685 -10.556 32.290 1.00 1.00 C ATOM 973 C HIS A 64 41.057 -10.881 33.734 1.00 1.00 C ATOM 974 O HIS A 64 40.168 -10.871 34.570 1.00 1.00 O ATOM 975 CB HIS A 64 39.172 -10.690 32.109 1.00 1.00 C ATOM 976 CG HIS A 64 38.505 -9.392 32.475 1.00 1.00 C ATOM 977 ND1 HIS A 64 38.285 -9.021 33.793 1.00 1.00 N ATOM 978 CD2 HIS A 64 38.006 -8.370 31.708 1.00 1.00 C ATOM 979 CE1 HIS A 64 37.678 -7.821 33.779 1.00 1.00 C ATOM 980 NE2 HIS A 64 37.483 -7.378 32.534 1.00 1.00 N ATOM 981 OXT HIS A 64 42.224 -11.135 33.981 1.00 1.00 O ATOM 0 H HIS A 64 41.791 -10.989 30.560 1.00 1.00 H new ATOM 0 HA HIS A 64 40.988 -9.532 32.070 1.00 1.00 H new ATOM 0 HB2 HIS A 64 38.940 -10.951 31.076 1.00 1.00 H new ATOM 0 HB3 HIS A 64 38.790 -11.496 32.735 1.00 1.00 H new ATOM 0 HD1 HIS A 64 38.537 -9.560 34.622 1.00 1.00 H new ATOM 0 HD2 HIS A 64 38.017 -8.339 30.628 1.00 1.00 H new ATOM 0 HE1 HIS A 64 37.384 -7.281 34.667 1.00 1.00 H new TER 989 HIS A 64