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 60 HIS : no HE2:sc= -0.528 K(o=-1.4,f=-5.5) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -0.841 K(o=-1.4,f=-5.2) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -166:sc= -0.421 (180deg=-0.994) USER MOD Set 2.2: A 26 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 15 ASN :FLIP amide:sc= -1.01 F(o=-14!,f=-3.1) USER MOD Set 3.2: A 16 GLN :FLIP amide:sc= -2.09! C(o=-6.6!,f=-3.1!) USER MOD Single : A 1 MET CE :methyl 162:sc= 0 (180deg=-0.422) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.0883 (180deg=-0.773) USER MOD Single : A 9 ASN : amide:sc= -0.208 K(o=-0.21,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 17 SER OG : rot 93:sc= -0.574! USER MOD Single : A 19 CYS SG : rot 23:sc= 0.00967 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 64:sc= 0.056 USER MOD Single : A 27 SER OG : rot -57:sc= 0.615 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= -0.681! USER MOD Single : A 44 THR OG1 : rot -67:sc= 1.19 USER MOD Single : A 46 ASN :FLIP amide:sc= -5.2! C(o=-7.6!,f=-5.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-3.5!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.617 X(o=-0.62,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.543 -58.667 1.491 1.00 1.00 N ATOM 2 CA MET A 1 71.587 -58.662 0.347 1.00 1.00 C ATOM 3 C MET A 1 71.984 -57.568 -0.638 1.00 1.00 C ATOM 4 O MET A 1 71.839 -56.379 -0.352 1.00 1.00 O ATOM 5 CB MET A 1 70.172 -58.406 0.870 1.00 1.00 C ATOM 6 CG MET A 1 69.725 -59.587 1.733 1.00 1.00 C ATOM 7 SD MET A 1 68.775 -58.974 3.148 1.00 1.00 S ATOM 8 CE MET A 1 67.429 -58.217 2.205 1.00 1.00 C ATOM 0 H1 MET A 1 72.677 -59.642 1.827 1.00 1.00 H new ATOM 0 H2 MET A 1 73.457 -58.279 1.181 1.00 1.00 H new ATOM 0 H3 MET A 1 72.163 -58.084 2.264 1.00 1.00 H new ATOM 0 HA MET A 1 71.612 -59.627 -0.160 1.00 1.00 H new ATOM 0 HB2 MET A 1 70.150 -57.486 1.454 1.00 1.00 H new ATOM 0 HB3 MET A 1 69.484 -58.270 0.036 1.00 1.00 H new ATOM 0 HG2 MET A 1 69.117 -60.273 1.143 1.00 1.00 H new ATOM 0 HG3 MET A 1 70.593 -60.147 2.079 1.00 1.00 H new ATOM 0 HE1 MET A 1 66.572 -58.056 2.859 1.00 1.00 H new ATOM 0 HE2 MET A 1 67.761 -57.261 1.800 1.00 1.00 H new ATOM 0 HE3 MET A 1 67.142 -58.877 1.387 1.00 1.00 H new ATOM 20 N GLU A 2 72.485 -57.977 -1.799 1.00 1.00 N ATOM 21 CA GLU A 2 72.900 -57.022 -2.820 1.00 1.00 C ATOM 22 C GLU A 2 71.715 -56.177 -3.276 1.00 1.00 C ATOM 23 O GLU A 2 70.871 -56.638 -4.046 1.00 1.00 O ATOM 24 CB GLU A 2 73.493 -57.764 -4.019 1.00 1.00 C ATOM 25 CG GLU A 2 73.784 -56.767 -5.143 1.00 1.00 C ATOM 26 CD GLU A 2 74.941 -57.272 -6.000 1.00 1.00 C ATOM 27 OE1 GLU A 2 74.698 -58.104 -6.858 1.00 1.00 O ATOM 28 OE2 GLU A 2 76.052 -56.818 -5.784 1.00 1.00 O ATOM 0 H GLU A 2 72.613 -58.956 -2.055 1.00 1.00 H new ATOM 0 HA GLU A 2 73.656 -56.365 -2.391 1.00 1.00 H new ATOM 0 HB2 GLU A 2 74.410 -58.276 -3.726 1.00 1.00 H new ATOM 0 HB3 GLU A 2 72.798 -58.528 -4.367 1.00 1.00 H new ATOM 0 HG2 GLU A 2 72.895 -56.632 -5.760 1.00 1.00 H new ATOM 0 HG3 GLU A 2 74.031 -55.793 -4.721 1.00 1.00 H new ATOM 35 N GLU A 3 71.658 -54.938 -2.798 1.00 1.00 N ATOM 36 CA GLU A 3 70.572 -54.038 -3.164 1.00 1.00 C ATOM 37 C GLU A 3 70.918 -53.267 -4.434 1.00 1.00 C ATOM 38 O GLU A 3 70.743 -53.770 -5.544 1.00 1.00 O ATOM 39 CB GLU A 3 70.304 -53.052 -2.024 1.00 1.00 C ATOM 40 CG GLU A 3 69.493 -53.747 -0.928 1.00 1.00 C ATOM 41 CD GLU A 3 69.660 -53.004 0.393 1.00 1.00 C ATOM 42 OE1 GLU A 3 69.099 -51.929 0.521 1.00 1.00 O ATOM 43 OE2 GLU A 3 70.348 -53.523 1.258 1.00 1.00 O ATOM 0 H GLU A 3 72.346 -54.537 -2.161 1.00 1.00 H new ATOM 0 HA GLU A 3 69.678 -54.634 -3.347 1.00 1.00 H new ATOM 0 HB2 GLU A 3 71.246 -52.686 -1.617 1.00 1.00 H new ATOM 0 HB3 GLU A 3 69.760 -52.185 -2.399 1.00 1.00 H new ATOM 0 HG2 GLU A 3 68.440 -53.778 -1.207 1.00 1.00 H new ATOM 0 HG3 GLU A 3 69.824 -54.780 -0.818 1.00 1.00 H new ATOM 50 N GLY A 4 71.411 -52.045 -4.262 1.00 1.00 N ATOM 51 CA GLY A 4 71.780 -51.214 -5.403 1.00 1.00 C ATOM 52 C GLY A 4 72.231 -49.831 -4.946 1.00 1.00 C ATOM 53 O GLY A 4 73.406 -49.481 -5.059 1.00 1.00 O ATOM 0 H GLY A 4 71.563 -51.611 -3.352 1.00 1.00 H new ATOM 0 HA2 GLY A 4 72.581 -51.695 -5.964 1.00 1.00 H new ATOM 0 HA3 GLY A 4 70.930 -51.119 -6.079 1.00 1.00 H new ATOM 57 N GLY A 5 71.289 -49.048 -4.430 1.00 1.00 N ATOM 58 CA GLY A 5 71.602 -47.704 -3.958 1.00 1.00 C ATOM 59 C GLY A 5 72.120 -46.833 -5.098 1.00 1.00 C ATOM 60 O GLY A 5 72.233 -47.288 -6.236 1.00 1.00 O ATOM 0 H GLY A 5 70.311 -49.318 -4.329 1.00 1.00 H new ATOM 0 HA2 GLY A 5 70.711 -47.250 -3.524 1.00 1.00 H new ATOM 0 HA3 GLY A 5 72.350 -47.757 -3.167 1.00 1.00 H new ATOM 64 N ASP A 6 72.433 -45.580 -4.784 1.00 1.00 N ATOM 65 CA ASP A 6 72.937 -44.654 -5.791 1.00 1.00 C ATOM 66 C ASP A 6 74.033 -43.769 -5.204 1.00 1.00 C ATOM 67 O ASP A 6 75.189 -43.838 -5.620 1.00 1.00 O ATOM 68 CB ASP A 6 71.798 -43.779 -6.315 1.00 1.00 C ATOM 69 CG ASP A 6 70.554 -44.630 -6.549 1.00 1.00 C ATOM 70 OD1 ASP A 6 69.978 -45.084 -5.574 1.00 1.00 O ATOM 71 OD2 ASP A 6 70.195 -44.815 -7.701 1.00 1.00 O ATOM 0 H ASP A 6 72.347 -45.185 -3.848 1.00 1.00 H new ATOM 0 HA ASP A 6 73.355 -45.234 -6.613 1.00 1.00 H new ATOM 0 HB2 ASP A 6 71.578 -42.987 -5.599 1.00 1.00 H new ATOM 0 HB3 ASP A 6 72.098 -43.295 -7.244 1.00 1.00 H new ATOM 76 N PHE A 7 73.660 -42.940 -4.235 1.00 1.00 N ATOM 77 CA PHE A 7 74.620 -42.046 -3.598 1.00 1.00 C ATOM 78 C PHE A 7 75.304 -41.164 -4.638 1.00 1.00 C ATOM 79 O PHE A 7 76.513 -40.942 -4.578 1.00 1.00 O ATOM 80 CB PHE A 7 75.672 -42.861 -2.844 1.00 1.00 C ATOM 81 CG PHE A 7 74.990 -43.926 -2.020 1.00 1.00 C ATOM 82 CD1 PHE A 7 74.297 -43.573 -0.856 1.00 1.00 C ATOM 83 CD2 PHE A 7 75.050 -45.266 -2.419 1.00 1.00 C ATOM 84 CE1 PHE A 7 73.664 -44.561 -0.092 1.00 1.00 C ATOM 85 CE2 PHE A 7 74.417 -46.254 -1.655 1.00 1.00 C ATOM 86 CZ PHE A 7 73.724 -45.901 -0.491 1.00 1.00 C ATOM 0 H PHE A 7 72.708 -42.868 -3.876 1.00 1.00 H new ATOM 0 HA PHE A 7 74.083 -41.408 -2.895 1.00 1.00 H new ATOM 0 HB2 PHE A 7 76.365 -43.320 -3.549 1.00 1.00 H new ATOM 0 HB3 PHE A 7 76.259 -42.208 -2.199 1.00 1.00 H new ATOM 0 HD1 PHE A 7 74.251 -42.539 -0.547 1.00 1.00 H new ATOM 0 HD2 PHE A 7 75.585 -45.538 -3.317 1.00 1.00 H new ATOM 0 HE1 PHE A 7 73.129 -44.289 0.806 1.00 1.00 H new ATOM 0 HE2 PHE A 7 74.463 -47.288 -1.964 1.00 1.00 H new ATOM 0 HZ PHE A 7 73.236 -46.663 0.099 1.00 1.00 H new ATOM 96 N ASP A 8 74.523 -40.666 -5.590 1.00 1.00 N ATOM 97 CA ASP A 8 75.064 -39.810 -6.638 1.00 1.00 C ATOM 98 C ASP A 8 74.092 -38.681 -6.964 1.00 1.00 C ATOM 99 O ASP A 8 73.871 -38.356 -8.131 1.00 1.00 O ATOM 100 CB ASP A 8 75.332 -40.634 -7.900 1.00 1.00 C ATOM 101 CG ASP A 8 76.516 -40.050 -8.662 1.00 1.00 C ATOM 102 OD1 ASP A 8 76.357 -38.987 -9.239 1.00 1.00 O ATOM 103 OD2 ASP A 8 77.564 -40.674 -8.659 1.00 1.00 O ATOM 0 H ASP A 8 73.520 -40.839 -5.658 1.00 1.00 H new ATOM 0 HA ASP A 8 75.999 -39.378 -6.280 1.00 1.00 H new ATOM 0 HB2 ASP A 8 75.537 -41.670 -7.631 1.00 1.00 H new ATOM 0 HB3 ASP A 8 74.447 -40.639 -8.536 1.00 1.00 H new ATOM 108 N ASN A 9 73.513 -38.086 -5.925 1.00 1.00 N ATOM 109 CA ASN A 9 72.566 -36.994 -6.114 1.00 1.00 C ATOM 110 C ASN A 9 72.548 -36.083 -4.891 1.00 1.00 C ATOM 111 O ASN A 9 71.687 -36.211 -4.021 1.00 1.00 O ATOM 112 CB ASN A 9 71.163 -37.555 -6.354 1.00 1.00 C ATOM 113 CG ASN A 9 70.177 -36.414 -6.583 1.00 1.00 C ATOM 114 OD1 ASN A 9 70.564 -35.346 -7.057 1.00 1.00 O ATOM 115 ND2 ASN A 9 68.920 -36.577 -6.274 1.00 1.00 N ATOM 0 H ASN A 9 73.682 -38.340 -4.952 1.00 1.00 H new ATOM 0 HA ASN A 9 72.879 -36.413 -6.982 1.00 1.00 H new ATOM 0 HB2 ASN A 9 71.171 -38.219 -7.219 1.00 1.00 H new ATOM 0 HB3 ASN A 9 70.849 -38.151 -5.497 1.00 1.00 H new ATOM 0 HD21 ASN A 9 68.255 -35.818 -6.425 1.00 1.00 H new ATOM 0 HD22 ASN A 9 68.602 -37.463 -5.881 1.00 1.00 H new ATOM 122 N TYR A 10 73.506 -35.163 -4.831 1.00 1.00 N ATOM 123 CA TYR A 10 73.592 -34.235 -3.709 1.00 1.00 C ATOM 124 C TYR A 10 73.367 -34.966 -2.389 1.00 1.00 C ATOM 125 O TYR A 10 73.020 -34.351 -1.381 1.00 1.00 O ATOM 126 CB TYR A 10 72.545 -33.130 -3.866 1.00 1.00 C ATOM 127 CG TYR A 10 73.142 -31.808 -3.447 1.00 1.00 C ATOM 128 CD1 TYR A 10 73.872 -31.047 -4.369 1.00 1.00 C ATOM 129 CD2 TYR A 10 72.965 -31.341 -2.139 1.00 1.00 C ATOM 130 CE1 TYR A 10 74.427 -29.820 -3.981 1.00 1.00 C ATOM 131 CE2 TYR A 10 73.518 -30.116 -1.751 1.00 1.00 C ATOM 132 CZ TYR A 10 74.249 -29.355 -2.672 1.00 1.00 C ATOM 133 OH TYR A 10 74.795 -28.146 -2.291 1.00 1.00 O ATOM 0 H TYR A 10 74.229 -35.041 -5.540 1.00 1.00 H new ATOM 0 HA TYR A 10 74.589 -33.795 -3.702 1.00 1.00 H new ATOM 0 HB2 TYR A 10 72.209 -33.077 -4.901 1.00 1.00 H new ATOM 0 HB3 TYR A 10 71.669 -33.355 -3.257 1.00 1.00 H new ATOM 0 HD1 TYR A 10 74.007 -31.406 -5.379 1.00 1.00 H new ATOM 0 HD2 TYR A 10 72.401 -31.927 -1.429 1.00 1.00 H new ATOM 0 HE1 TYR A 10 74.991 -29.234 -4.691 1.00 1.00 H new ATOM 0 HE2 TYR A 10 73.381 -29.757 -0.742 1.00 1.00 H new ATOM 0 HH TYR A 10 74.578 -27.971 -1.352 1.00 1.00 H new ATOM 143 N TYR A 11 73.570 -36.281 -2.407 1.00 1.00 N ATOM 144 CA TYR A 11 73.390 -37.097 -1.207 1.00 1.00 C ATOM 145 C TYR A 11 72.185 -36.620 -0.404 1.00 1.00 C ATOM 146 O TYR A 11 72.223 -36.573 0.825 1.00 1.00 O ATOM 147 CB TYR A 11 74.643 -37.037 -0.333 1.00 1.00 C ATOM 148 CG TYR A 11 75.111 -35.607 -0.207 1.00 1.00 C ATOM 149 CD1 TYR A 11 75.983 -35.069 -1.162 1.00 1.00 C ATOM 150 CD2 TYR A 11 74.674 -34.819 0.864 1.00 1.00 C ATOM 151 CE1 TYR A 11 76.416 -33.743 -1.045 1.00 1.00 C ATOM 152 CE2 TYR A 11 75.107 -33.492 0.979 1.00 1.00 C ATOM 153 CZ TYR A 11 75.979 -32.955 0.025 1.00 1.00 C ATOM 154 OH TYR A 11 76.405 -31.647 0.139 1.00 1.00 O ATOM 0 H TYR A 11 73.858 -36.803 -3.235 1.00 1.00 H new ATOM 0 HA TYR A 11 73.218 -38.126 -1.521 1.00 1.00 H new ATOM 0 HB2 TYR A 11 74.429 -37.448 0.654 1.00 1.00 H new ATOM 0 HB3 TYR A 11 75.432 -37.650 -0.769 1.00 1.00 H new ATOM 0 HD1 TYR A 11 76.321 -35.677 -1.988 1.00 1.00 H new ATOM 0 HD2 TYR A 11 74.003 -35.234 1.602 1.00 1.00 H new ATOM 0 HE1 TYR A 11 77.088 -33.328 -1.782 1.00 1.00 H new ATOM 0 HE2 TYR A 11 74.768 -32.883 1.804 1.00 1.00 H new ATOM 0 HH TYR A 11 76.007 -31.242 0.937 1.00 1.00 H new ATOM 164 N GLY A 12 71.117 -36.268 -1.109 1.00 1.00 N ATOM 165 CA GLY A 12 69.903 -35.796 -0.455 1.00 1.00 C ATOM 166 C GLY A 12 68.748 -35.709 -1.447 1.00 1.00 C ATOM 167 O GLY A 12 67.708 -36.341 -1.261 1.00 1.00 O ATOM 0 H GLY A 12 71.066 -36.300 -2.127 1.00 1.00 H new ATOM 0 HA2 GLY A 12 69.638 -36.471 0.359 1.00 1.00 H new ATOM 0 HA3 GLY A 12 70.081 -34.816 -0.012 1.00 1.00 H new ATOM 171 N ALA A 13 68.937 -34.920 -2.499 1.00 1.00 N ATOM 172 CA ALA A 13 67.903 -34.757 -3.515 1.00 1.00 C ATOM 173 C ALA A 13 68.230 -33.581 -4.430 1.00 1.00 C ATOM 174 O ALA A 13 67.773 -33.524 -5.572 1.00 1.00 O ATOM 175 CB ALA A 13 66.547 -34.523 -2.847 1.00 1.00 C ATOM 0 H ALA A 13 69.790 -34.387 -2.670 1.00 1.00 H new ATOM 0 HA ALA A 13 67.862 -35.667 -4.113 1.00 1.00 H new ATOM 0 HB1 ALA A 13 65.780 -34.402 -3.612 1.00 1.00 H new ATOM 0 HB2 ALA A 13 66.299 -35.377 -2.217 1.00 1.00 H new ATOM 0 HB3 ALA A 13 66.594 -33.622 -2.235 1.00 1.00 H new ATOM 181 N ASP A 14 69.023 -32.644 -3.920 1.00 1.00 N ATOM 182 CA ASP A 14 69.405 -31.473 -4.701 1.00 1.00 C ATOM 183 C ASP A 14 68.269 -30.455 -4.728 1.00 1.00 C ATOM 184 O ASP A 14 68.396 -29.386 -5.326 1.00 1.00 O ATOM 185 CB ASP A 14 69.756 -31.888 -6.131 1.00 1.00 C ATOM 186 CG ASP A 14 70.858 -30.989 -6.680 1.00 1.00 C ATOM 187 OD1 ASP A 14 70.579 -29.828 -6.929 1.00 1.00 O ATOM 188 OD2 ASP A 14 71.965 -31.474 -6.842 1.00 1.00 O ATOM 0 H ASP A 14 69.411 -32.672 -2.977 1.00 1.00 H new ATOM 0 HA ASP A 14 70.277 -31.016 -4.233 1.00 1.00 H new ATOM 0 HB2 ASP A 14 70.082 -32.928 -6.147 1.00 1.00 H new ATOM 0 HB3 ASP A 14 68.872 -31.822 -6.765 1.00 1.00 H new ATOM 193 N ASN A 15 67.162 -30.794 -4.076 1.00 1.00 N ATOM 194 CA ASN A 15 66.010 -29.900 -4.032 1.00 1.00 C ATOM 195 C ASN A 15 66.100 -28.970 -2.827 1.00 1.00 C ATOM 196 O ASN A 15 65.210 -28.950 -1.977 1.00 1.00 O ATOM 197 CB ASN A 15 64.719 -30.716 -3.953 1.00 1.00 C ATOM 198 CG ASN A 15 64.775 -31.667 -2.761 1.00 1.00 C ATOM 199 OD1 ASN A 15 65.737 -31.548 -1.888 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 63.918 -32.540 -2.623 1.00 1.00 N flip ATOM 0 H ASN A 15 67.038 -31.674 -3.575 1.00 1.00 H new ATOM 0 HA ASN A 15 66.005 -29.299 -4.941 1.00 1.00 H new ATOM 0 HB2 ASN A 15 63.863 -30.049 -3.856 1.00 1.00 H new ATOM 0 HB3 ASN A 15 64.580 -31.282 -4.874 1.00 1.00 H new ATOM 0 HD21 ASN A 15 63.167 -32.630 -3.307 1.00 1.00 H new ATOM 0 HD22 ASN A 15 63.959 -33.173 -1.824 1.00 1.00 H new ATOM 207 N GLN A 16 67.181 -28.202 -2.760 1.00 1.00 N ATOM 208 CA GLN A 16 67.380 -27.272 -1.654 1.00 1.00 C ATOM 209 C GLN A 16 66.975 -25.859 -2.062 1.00 1.00 C ATOM 210 O GLN A 16 67.792 -24.939 -2.041 1.00 1.00 O ATOM 211 CB GLN A 16 68.848 -27.281 -1.222 1.00 1.00 C ATOM 212 CG GLN A 16 69.109 -28.488 -0.319 1.00 1.00 C ATOM 213 CD GLN A 16 68.313 -29.692 -0.812 1.00 1.00 C ATOM 214 OE1 GLN A 16 68.776 -30.409 -1.801 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 67.243 -29.990 -0.281 1.00 1.00 N flip ATOM 0 H GLN A 16 67.929 -28.204 -3.453 1.00 1.00 H new ATOM 0 HA GLN A 16 66.754 -27.589 -0.820 1.00 1.00 H new ATOM 0 HB2 GLN A 16 69.495 -27.323 -2.098 1.00 1.00 H new ATOM 0 HB3 GLN A 16 69.087 -26.359 -0.692 1.00 1.00 H new ATOM 0 HG2 GLN A 16 70.173 -28.724 -0.312 1.00 1.00 H new ATOM 0 HG3 GLN A 16 68.828 -28.252 0.707 1.00 1.00 H new ATOM 0 HE21 GLN A 16 66.883 -29.429 0.491 1.00 1.00 H new ATOM 0 HE22 GLN A 16 66.716 -30.798 -0.613 1.00 1.00 H new ATOM 224 N SER A 17 65.708 -25.698 -2.436 1.00 1.00 N ATOM 225 CA SER A 17 65.195 -24.397 -2.852 1.00 1.00 C ATOM 226 C SER A 17 65.569 -24.120 -4.305 1.00 1.00 C ATOM 227 O SER A 17 66.171 -23.095 -4.623 1.00 1.00 O ATOM 228 CB SER A 17 65.753 -23.295 -1.946 1.00 1.00 C ATOM 229 OG SER A 17 66.011 -23.835 -0.656 1.00 1.00 O ATOM 0 H SER A 17 65.020 -26.451 -2.459 1.00 1.00 H new ATOM 0 HA SER A 17 64.108 -24.407 -2.766 1.00 1.00 H new ATOM 0 HB2 SER A 17 66.669 -22.887 -2.372 1.00 1.00 H new ATOM 0 HB3 SER A 17 65.041 -22.473 -1.873 1.00 1.00 H new ATOM 0 HG SER A 17 66.942 -24.136 -0.608 1.00 1.00 H new ATOM 235 N GLU A 18 65.205 -25.047 -5.185 1.00 1.00 N ATOM 236 CA GLU A 18 65.504 -24.901 -6.602 1.00 1.00 C ATOM 237 C GLU A 18 64.360 -25.443 -7.446 1.00 1.00 C ATOM 238 O GLU A 18 64.141 -26.652 -7.509 1.00 1.00 O ATOM 239 CB GLU A 18 66.790 -25.655 -6.936 1.00 1.00 C ATOM 240 CG GLU A 18 67.755 -24.717 -7.659 1.00 1.00 C ATOM 241 CD GLU A 18 68.960 -25.498 -8.169 1.00 1.00 C ATOM 242 OE1 GLU A 18 68.759 -26.426 -8.936 1.00 1.00 O ATOM 243 OE2 GLU A 18 70.068 -25.159 -7.786 1.00 1.00 O ATOM 0 H GLU A 18 64.705 -25.902 -4.942 1.00 1.00 H new ATOM 0 HA GLU A 18 65.633 -23.842 -6.825 1.00 1.00 H new ATOM 0 HB2 GLU A 18 67.250 -26.034 -6.023 1.00 1.00 H new ATOM 0 HB3 GLU A 18 66.566 -26.518 -7.563 1.00 1.00 H new ATOM 0 HG2 GLU A 18 67.247 -24.232 -8.492 1.00 1.00 H new ATOM 0 HG3 GLU A 18 68.083 -23.928 -6.982 1.00 1.00 H new ATOM 250 N CYS A 19 63.624 -24.541 -8.087 1.00 1.00 N ATOM 251 CA CYS A 19 62.498 -24.944 -8.915 1.00 1.00 C ATOM 252 C CYS A 19 61.420 -25.574 -8.046 1.00 1.00 C ATOM 253 O CYS A 19 61.118 -26.761 -8.171 1.00 1.00 O ATOM 254 CB CYS A 19 62.956 -25.941 -9.983 1.00 1.00 C ATOM 255 SG CYS A 19 61.772 -25.944 -11.352 1.00 1.00 S ATOM 0 H CYS A 19 63.787 -23.535 -8.049 1.00 1.00 H new ATOM 0 HA CYS A 19 62.090 -24.063 -9.410 1.00 1.00 H new ATOM 0 HB2 CYS A 19 63.948 -25.671 -10.346 1.00 1.00 H new ATOM 0 HB3 CYS A 19 63.035 -26.940 -9.554 1.00 1.00 H new ATOM 0 HG CYS A 19 61.119 -24.820 -11.363 1.00 1.00 H new ATOM 261 N GLU A 20 60.853 -24.767 -7.158 1.00 1.00 N ATOM 262 CA GLU A 20 59.812 -25.241 -6.258 1.00 1.00 C ATOM 263 C GLU A 20 58.532 -25.540 -7.028 1.00 1.00 C ATOM 264 O GLU A 20 57.484 -24.962 -6.745 1.00 1.00 O ATOM 265 CB GLU A 20 59.533 -24.187 -5.185 1.00 1.00 C ATOM 266 CG GLU A 20 58.686 -24.803 -4.071 1.00 1.00 C ATOM 267 CD GLU A 20 59.573 -25.184 -2.889 1.00 1.00 C ATOM 268 OE1 GLU A 20 60.731 -25.491 -3.118 1.00 1.00 O ATOM 269 OE2 GLU A 20 59.079 -25.165 -1.774 1.00 1.00 O ATOM 0 H GLU A 20 61.097 -23.783 -7.043 1.00 1.00 H new ATOM 0 HA GLU A 20 60.157 -26.160 -5.784 1.00 1.00 H new ATOM 0 HB2 GLU A 20 60.471 -23.811 -4.777 1.00 1.00 H new ATOM 0 HB3 GLU A 20 59.012 -23.336 -5.623 1.00 1.00 H new ATOM 0 HG2 GLU A 20 57.923 -24.094 -3.750 1.00 1.00 H new ATOM 0 HG3 GLU A 20 58.165 -25.685 -4.444 1.00 1.00 H new ATOM 276 N TYR A 21 58.633 -26.449 -7.996 1.00 1.00 N ATOM 277 CA TYR A 21 57.486 -26.843 -8.809 1.00 1.00 C ATOM 278 C TYR A 21 56.891 -25.644 -9.544 1.00 1.00 C ATOM 279 O TYR A 21 56.997 -25.542 -10.766 1.00 1.00 O ATOM 280 CB TYR A 21 56.418 -27.500 -7.930 1.00 1.00 C ATOM 281 CG TYR A 21 56.915 -28.847 -7.453 1.00 1.00 C ATOM 282 CD1 TYR A 21 57.990 -28.923 -6.560 1.00 1.00 C ATOM 283 CD2 TYR A 21 56.297 -30.019 -7.906 1.00 1.00 C ATOM 284 CE1 TYR A 21 58.447 -30.171 -6.119 1.00 1.00 C ATOM 285 CE2 TYR A 21 56.755 -31.267 -7.466 1.00 1.00 C ATOM 286 CZ TYR A 21 57.830 -31.342 -6.573 1.00 1.00 C ATOM 287 OH TYR A 21 58.281 -32.572 -6.138 1.00 1.00 O ATOM 0 H TYR A 21 59.501 -26.928 -8.236 1.00 1.00 H new ATOM 0 HA TYR A 21 57.832 -27.560 -9.553 1.00 1.00 H new ATOM 0 HB2 TYR A 21 56.191 -26.861 -7.076 1.00 1.00 H new ATOM 0 HB3 TYR A 21 55.492 -27.621 -8.493 1.00 1.00 H new ATOM 0 HD1 TYR A 21 58.467 -28.019 -6.211 1.00 1.00 H new ATOM 0 HD2 TYR A 21 55.467 -29.960 -8.595 1.00 1.00 H new ATOM 0 HE1 TYR A 21 59.275 -30.230 -5.429 1.00 1.00 H new ATOM 0 HE2 TYR A 21 56.279 -32.171 -7.816 1.00 1.00 H new ATOM 0 HH TYR A 21 57.743 -33.281 -6.548 1.00 1.00 H new ATOM 297 N THR A 22 56.267 -24.739 -8.797 1.00 1.00 N ATOM 298 CA THR A 22 55.659 -23.555 -9.392 1.00 1.00 C ATOM 299 C THR A 22 55.513 -22.459 -8.344 1.00 1.00 C ATOM 300 O THR A 22 54.412 -21.967 -8.096 1.00 1.00 O ATOM 301 CB THR A 22 54.277 -23.896 -9.963 1.00 1.00 C ATOM 302 OG1 THR A 22 53.510 -24.561 -8.968 1.00 1.00 O ATOM 303 CG2 THR A 22 54.420 -24.805 -11.187 1.00 1.00 C ATOM 0 H THR A 22 56.169 -24.802 -7.784 1.00 1.00 H new ATOM 0 HA THR A 22 56.304 -23.204 -10.197 1.00 1.00 H new ATOM 0 HB THR A 22 53.778 -22.975 -10.263 1.00 1.00 H new ATOM 0 HG1 THR A 22 53.349 -23.952 -8.218 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.432 -25.040 -11.583 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.006 -24.296 -11.952 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.924 -25.727 -10.898 1.00 1.00 H new ATOM 311 N ASP A 23 56.628 -22.083 -7.729 1.00 1.00 N ATOM 312 CA ASP A 23 56.607 -21.046 -6.705 1.00 1.00 C ATOM 313 C ASP A 23 57.891 -20.225 -6.746 1.00 1.00 C ATOM 314 O ASP A 23 57.876 -19.018 -6.504 1.00 1.00 O ATOM 315 CB ASP A 23 56.449 -21.680 -5.323 1.00 1.00 C ATOM 316 CG ASP A 23 55.240 -21.084 -4.610 1.00 1.00 C ATOM 317 OD1 ASP A 23 54.140 -21.252 -5.110 1.00 1.00 O ATOM 318 OD2 ASP A 23 55.431 -20.469 -3.574 1.00 1.00 O ATOM 0 H ASP A 23 57.550 -22.476 -7.919 1.00 1.00 H new ATOM 0 HA ASP A 23 55.762 -20.386 -6.901 1.00 1.00 H new ATOM 0 HB2 ASP A 23 56.328 -22.759 -5.421 1.00 1.00 H new ATOM 0 HB3 ASP A 23 57.349 -21.512 -4.732 1.00 1.00 H new ATOM 323 N TRP A 24 59.001 -20.888 -7.050 1.00 1.00 N ATOM 324 CA TRP A 24 60.289 -20.207 -7.114 1.00 1.00 C ATOM 325 C TRP A 24 60.279 -19.128 -8.194 1.00 1.00 C ATOM 326 O TRP A 24 60.965 -18.113 -8.074 1.00 1.00 O ATOM 327 CB TRP A 24 61.398 -21.214 -7.414 1.00 1.00 C ATOM 328 CG TRP A 24 61.308 -21.640 -8.845 1.00 1.00 C ATOM 329 CD1 TRP A 24 60.234 -22.234 -9.412 1.00 1.00 C ATOM 330 CD2 TRP A 24 62.310 -21.516 -9.895 1.00 1.00 C ATOM 331 NE1 TRP A 24 60.512 -22.482 -10.744 1.00 1.00 N ATOM 332 CE2 TRP A 24 61.779 -22.058 -11.090 1.00 1.00 C ATOM 333 CE3 TRP A 24 63.614 -20.992 -9.927 1.00 1.00 C ATOM 334 CZ2 TRP A 24 62.516 -22.078 -12.274 1.00 1.00 C ATOM 335 CZ3 TRP A 24 64.360 -21.010 -11.118 1.00 1.00 C ATOM 336 CH2 TRP A 24 63.811 -21.552 -12.289 1.00 1.00 C ATOM 0 H TRP A 24 59.036 -21.887 -7.254 1.00 1.00 H new ATOM 0 HA TRP A 24 60.473 -19.736 -6.148 1.00 1.00 H new ATOM 0 HB2 TRP A 24 62.373 -20.768 -7.216 1.00 1.00 H new ATOM 0 HB3 TRP A 24 61.305 -22.080 -6.759 1.00 1.00 H new ATOM 0 HD1 TRP A 24 59.310 -22.475 -8.907 1.00 1.00 H new ATOM 0 HE1 TRP A 24 59.860 -22.924 -11.392 1.00 1.00 H new ATOM 0 HE3 TRP A 24 64.046 -20.573 -9.030 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 62.089 -22.497 -13.173 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 65.361 -20.604 -11.131 1.00 1.00 H new ATOM 0 HH2 TRP A 24 64.388 -21.563 -13.202 1.00 1.00 H new ATOM 347 N LYS A 25 59.504 -19.355 -9.250 1.00 1.00 N ATOM 348 CA LYS A 25 59.426 -18.392 -10.343 1.00 1.00 C ATOM 349 C LYS A 25 58.679 -17.134 -9.908 1.00 1.00 C ATOM 350 O LYS A 25 58.446 -16.231 -10.710 1.00 1.00 O ATOM 351 CB LYS A 25 58.741 -19.028 -11.565 1.00 1.00 C ATOM 352 CG LYS A 25 57.213 -19.051 -11.398 1.00 1.00 C ATOM 353 CD LYS A 25 56.834 -19.725 -10.077 1.00 1.00 C ATOM 354 CE LYS A 25 55.322 -19.959 -10.047 1.00 1.00 C ATOM 355 NZ LYS A 25 54.645 -18.936 -10.893 1.00 1.00 N ATOM 0 H LYS A 25 58.927 -20.187 -9.372 1.00 1.00 H new ATOM 0 HA LYS A 25 60.441 -18.105 -10.619 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.003 -18.469 -12.463 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.109 -20.044 -11.703 1.00 1.00 H new ATOM 0 HG2 LYS A 25 56.822 -18.034 -11.420 1.00 1.00 H new ATOM 0 HG3 LYS A 25 56.757 -19.586 -12.231 1.00 1.00 H new ATOM 0 HD2 LYS A 25 57.363 -20.673 -9.974 1.00 1.00 H new ATOM 0 HD3 LYS A 25 57.134 -19.099 -9.236 1.00 1.00 H new ATOM 0 HE2 LYS A 25 55.091 -20.960 -10.412 1.00 1.00 H new ATOM 0 HE3 LYS A 25 54.954 -19.901 -9.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 53.625 -18.939 -10.692 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 55.037 -17.996 -10.682 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 54.800 -19.158 -11.897 1.00 1.00 H new ATOM 369 N SER A 26 58.306 -17.083 -8.633 1.00 1.00 N ATOM 370 CA SER A 26 57.587 -15.931 -8.103 1.00 1.00 C ATOM 371 C SER A 26 58.129 -15.545 -6.730 1.00 1.00 C ATOM 372 O SER A 26 58.889 -14.586 -6.600 1.00 1.00 O ATOM 373 CB SER A 26 56.096 -16.253 -7.992 1.00 1.00 C ATOM 374 OG SER A 26 55.410 -15.686 -9.099 1.00 1.00 O ATOM 0 H SER A 26 58.488 -17.821 -7.952 1.00 1.00 H new ATOM 0 HA SER A 26 57.729 -15.093 -8.785 1.00 1.00 H new ATOM 0 HB2 SER A 26 55.946 -17.332 -7.970 1.00 1.00 H new ATOM 0 HB3 SER A 26 55.695 -15.857 -7.059 1.00 1.00 H new ATOM 0 HG SER A 26 54.454 -15.892 -9.032 1.00 1.00 H new ATOM 380 N SER A 27 57.732 -16.297 -5.709 1.00 1.00 N ATOM 381 CA SER A 27 58.183 -16.023 -4.351 1.00 1.00 C ATOM 382 C SER A 27 57.900 -14.572 -3.974 1.00 1.00 C ATOM 383 O SER A 27 58.333 -14.097 -2.925 1.00 1.00 O ATOM 384 CB SER A 27 59.684 -16.298 -4.234 1.00 1.00 C ATOM 385 OG SER A 27 60.392 -15.067 -4.288 1.00 1.00 O ATOM 0 H SER A 27 57.103 -17.095 -5.795 1.00 1.00 H new ATOM 0 HA SER A 27 57.639 -16.677 -3.669 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.899 -16.814 -3.298 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.009 -16.954 -5.042 1.00 1.00 H new ATOM 0 HG SER A 27 60.170 -14.598 -5.119 1.00 1.00 H new ATOM 391 N GLY A 28 57.168 -13.875 -4.838 1.00 1.00 N ATOM 392 CA GLY A 28 56.832 -12.479 -4.586 1.00 1.00 C ATOM 393 C GLY A 28 55.567 -12.079 -5.338 1.00 1.00 C ATOM 394 O GLY A 28 55.415 -10.929 -5.749 1.00 1.00 O ATOM 0 H GLY A 28 56.799 -14.251 -5.712 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.689 -12.323 -3.517 1.00 1.00 H new ATOM 0 HA3 GLY A 28 57.660 -11.840 -4.894 1.00 1.00 H new ATOM 398 N ALA A 29 54.663 -13.037 -5.515 1.00 1.00 N ATOM 399 CA ALA A 29 53.413 -12.774 -6.220 1.00 1.00 C ATOM 400 C ALA A 29 52.242 -13.438 -5.502 1.00 1.00 C ATOM 401 O ALA A 29 51.114 -13.428 -5.994 1.00 1.00 O ATOM 402 CB ALA A 29 53.501 -13.300 -7.653 1.00 1.00 C ATOM 0 H ALA A 29 54.771 -13.995 -5.183 1.00 1.00 H new ATOM 0 HA ALA A 29 53.248 -11.697 -6.239 1.00 1.00 H new ATOM 0 HB1 ALA A 29 52.564 -13.100 -8.172 1.00 1.00 H new ATOM 0 HB2 ALA A 29 54.318 -12.801 -8.174 1.00 1.00 H new ATOM 0 HB3 ALA A 29 53.684 -14.374 -7.636 1.00 1.00 H new ATOM 408 N LEU A 30 52.520 -14.014 -4.337 1.00 1.00 N ATOM 409 CA LEU A 30 51.483 -14.682 -3.559 1.00 1.00 C ATOM 410 C LEU A 30 51.774 -14.565 -2.066 1.00 1.00 C ATOM 411 O LEU A 30 50.866 -14.643 -1.238 1.00 1.00 O ATOM 412 CB LEU A 30 51.401 -16.158 -3.952 1.00 1.00 C ATOM 413 CG LEU A 30 52.811 -16.740 -4.054 1.00 1.00 C ATOM 414 CD1 LEU A 30 52.851 -18.106 -3.367 1.00 1.00 C ATOM 415 CD2 LEU A 30 53.191 -16.900 -5.528 1.00 1.00 C ATOM 0 H LEU A 30 53.448 -14.032 -3.913 1.00 1.00 H new ATOM 0 HA LEU A 30 50.529 -14.198 -3.771 1.00 1.00 H new ATOM 0 HB2 LEU A 30 50.821 -16.710 -3.212 1.00 1.00 H new ATOM 0 HB3 LEU A 30 50.883 -16.263 -4.906 1.00 1.00 H new ATOM 0 HG LEU A 30 53.517 -16.068 -3.567 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.856 -18.521 -3.440 1.00 1.00 H new ATOM 0 HD12 LEU A 30 52.580 -17.993 -2.317 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.145 -18.779 -3.854 1.00 1.00 H new ATOM 0 HD21 LEU A 30 54.196 -17.315 -5.602 1.00 1.00 H new ATOM 0 HD22 LEU A 30 52.484 -17.572 -6.015 1.00 1.00 H new ATOM 0 HD23 LEU A 30 53.163 -15.927 -6.019 1.00 1.00 H new ATOM 427 N ILE A 31 53.047 -14.375 -1.730 1.00 1.00 N ATOM 428 CA ILE A 31 53.446 -14.248 -0.334 1.00 1.00 C ATOM 429 C ILE A 31 53.031 -12.885 0.229 1.00 1.00 C ATOM 430 O ILE A 31 52.571 -12.797 1.367 1.00 1.00 O ATOM 431 CB ILE A 31 54.968 -14.465 -0.206 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.223 -15.842 0.414 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.615 -13.392 0.681 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.586 -16.925 -0.458 1.00 1.00 C ATOM 0 H ILE A 31 53.813 -14.306 -2.400 1.00 1.00 H new ATOM 0 HA ILE A 31 52.936 -15.012 0.252 1.00 1.00 H new ATOM 0 HB ILE A 31 55.409 -14.399 -1.201 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.295 -16.018 0.505 1.00 1.00 H new ATOM 0 HG13 ILE A 31 54.807 -15.881 1.421 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.687 -13.575 0.750 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.442 -12.408 0.246 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.176 -13.431 1.678 1.00 1.00 H new ATOM 0 HD11 ILE A 31 54.769 -17.904 -0.014 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.512 -16.752 -0.526 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.022 -16.892 -1.456 1.00 1.00 H new ATOM 446 N PRO A 32 53.184 -11.826 -0.531 1.00 1.00 N ATOM 447 CA PRO A 32 52.818 -10.460 -0.081 1.00 1.00 C ATOM 448 C PRO A 32 51.352 -10.135 -0.354 1.00 1.00 C ATOM 449 O PRO A 32 50.924 -8.990 -0.217 1.00 1.00 O ATOM 450 CB PRO A 32 53.741 -9.565 -0.904 1.00 1.00 C ATOM 451 CG PRO A 32 54.029 -10.324 -2.165 1.00 1.00 C ATOM 452 CD PRO A 32 53.722 -11.805 -1.900 1.00 1.00 C ATOM 0 HA PRO A 32 52.933 -10.332 0.995 1.00 1.00 H new ATOM 0 HB2 PRO A 32 53.265 -8.609 -1.123 1.00 1.00 H new ATOM 0 HB3 PRO A 32 54.660 -9.346 -0.361 1.00 1.00 H new ATOM 0 HG2 PRO A 32 53.418 -9.948 -2.986 1.00 1.00 H new ATOM 0 HG3 PRO A 32 55.071 -10.196 -2.459 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.000 -12.196 -2.617 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.619 -12.418 -1.984 1.00 1.00 H new ATOM 460 N ALA A 33 50.588 -11.153 -0.739 1.00 1.00 N ATOM 461 CA ALA A 33 49.170 -10.964 -1.027 1.00 1.00 C ATOM 462 C ALA A 33 48.318 -11.419 0.154 1.00 1.00 C ATOM 463 O ALA A 33 47.089 -11.405 0.086 1.00 1.00 O ATOM 464 CB ALA A 33 48.781 -11.759 -2.275 1.00 1.00 C ATOM 0 H ALA A 33 50.923 -12.109 -0.858 1.00 1.00 H new ATOM 0 HA ALA A 33 48.992 -9.903 -1.201 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.721 -11.613 -2.484 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.369 -11.413 -3.125 1.00 1.00 H new ATOM 0 HB3 ALA A 33 48.975 -12.818 -2.107 1.00 1.00 H new ATOM 470 N ILE A 34 48.980 -11.822 1.233 1.00 1.00 N ATOM 471 CA ILE A 34 48.272 -12.279 2.424 1.00 1.00 C ATOM 472 C ILE A 34 48.933 -11.730 3.684 1.00 1.00 C ATOM 473 O ILE A 34 48.253 -11.308 4.620 1.00 1.00 O ATOM 474 CB ILE A 34 48.267 -13.807 2.474 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.088 -14.358 1.304 1.00 1.00 C ATOM 476 CG2 ILE A 34 46.827 -14.317 2.373 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.148 -15.883 1.394 1.00 1.00 C ATOM 0 H ILE A 34 49.997 -11.842 1.308 1.00 1.00 H new ATOM 0 HA ILE A 34 47.246 -11.913 2.376 1.00 1.00 H new ATOM 0 HB ILE A 34 48.705 -14.141 3.415 1.00 1.00 H new ATOM 0 HG12 ILE A 34 48.639 -14.057 0.358 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.095 -13.942 1.326 1.00 1.00 H new ATOM 0 HG21 ILE A 34 46.824 -15.406 2.409 1.00 1.00 H new ATOM 0 HG22 ILE A 34 46.243 -13.925 3.206 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.388 -13.983 1.433 1.00 1.00 H new ATOM 0 HD11 ILE A 34 49.732 -16.274 0.561 1.00 1.00 H new ATOM 0 HD12 ILE A 34 49.617 -16.174 2.334 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.138 -16.290 1.351 1.00 1.00 H new ATOM 489 N TYR A 35 50.262 -11.736 3.701 1.00 1.00 N ATOM 490 CA TYR A 35 51.004 -11.236 4.852 1.00 1.00 C ATOM 491 C TYR A 35 50.817 -9.729 4.996 1.00 1.00 C ATOM 492 O TYR A 35 51.429 -9.097 5.857 1.00 1.00 O ATOM 493 CB TYR A 35 52.491 -11.555 4.694 1.00 1.00 C ATOM 494 CG TYR A 35 52.790 -12.890 5.332 1.00 1.00 C ATOM 495 CD1 TYR A 35 52.885 -12.996 6.725 1.00 1.00 C ATOM 496 CD2 TYR A 35 52.971 -14.024 4.530 1.00 1.00 C ATOM 497 CE1 TYR A 35 53.163 -14.234 7.315 1.00 1.00 C ATOM 498 CE2 TYR A 35 53.248 -15.263 5.121 1.00 1.00 C ATOM 499 CZ TYR A 35 53.344 -15.367 6.513 1.00 1.00 C ATOM 500 OH TYR A 35 53.617 -16.589 7.096 1.00 1.00 O ATOM 0 H TYR A 35 50.844 -12.079 2.936 1.00 1.00 H new ATOM 0 HA TYR A 35 50.622 -11.725 5.748 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.759 -11.577 3.638 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.093 -10.774 5.160 1.00 1.00 H new ATOM 0 HD1 TYR A 35 52.744 -12.122 7.344 1.00 1.00 H new ATOM 0 HD2 TYR A 35 52.897 -13.943 3.456 1.00 1.00 H new ATOM 0 HE1 TYR A 35 53.238 -14.315 8.389 1.00 1.00 H new ATOM 0 HE2 TYR A 35 53.387 -16.138 4.503 1.00 1.00 H new ATOM 0 HH TYR A 35 53.713 -17.270 6.398 1.00 1.00 H new ATOM 510 N MET A 36 49.968 -9.159 4.147 1.00 1.00 N ATOM 511 CA MET A 36 49.708 -7.725 4.188 1.00 1.00 C ATOM 512 C MET A 36 48.390 -7.439 4.901 1.00 1.00 C ATOM 513 O MET A 36 48.377 -6.941 6.026 1.00 1.00 O ATOM 514 CB MET A 36 49.654 -7.161 2.767 1.00 1.00 C ATOM 515 CG MET A 36 51.044 -7.243 2.132 1.00 1.00 C ATOM 516 SD MET A 36 52.145 -6.052 2.935 1.00 1.00 S ATOM 517 CE MET A 36 53.708 -6.785 2.390 1.00 1.00 C ATOM 0 H MET A 36 49.452 -9.664 3.427 1.00 1.00 H new ATOM 0 HA MET A 36 50.518 -7.245 4.738 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.936 -7.722 2.169 1.00 1.00 H new ATOM 0 HB3 MET A 36 49.313 -6.126 2.788 1.00 1.00 H new ATOM 0 HG2 MET A 36 51.444 -8.252 2.236 1.00 1.00 H new ATOM 0 HG3 MET A 36 50.981 -7.033 1.064 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.540 -6.198 2.779 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.780 -7.807 2.762 1.00 1.00 H new ATOM 0 HE3 MET A 36 53.747 -6.791 1.301 1.00 1.00 H new ATOM 527 N LEU A 37 47.283 -7.759 4.239 1.00 1.00 N ATOM 528 CA LEU A 37 45.964 -7.532 4.818 1.00 1.00 C ATOM 529 C LEU A 37 45.879 -8.149 6.211 1.00 1.00 C ATOM 530 O LEU A 37 44.913 -7.923 6.942 1.00 1.00 O ATOM 531 CB LEU A 37 44.887 -8.143 3.921 1.00 1.00 C ATOM 532 CG LEU A 37 44.858 -7.405 2.582 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.600 -8.404 1.453 1.00 1.00 C ATOM 534 CD2 LEU A 37 43.741 -6.359 2.602 1.00 1.00 C ATOM 0 H LEU A 37 47.272 -8.174 3.307 1.00 1.00 H new ATOM 0 HA LEU A 37 45.802 -6.457 4.897 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.090 -9.202 3.760 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.913 -8.076 4.406 1.00 1.00 H new ATOM 0 HG LEU A 37 45.816 -6.912 2.418 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.579 -7.877 0.499 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.395 -9.150 1.439 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.642 -8.898 1.616 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.719 -5.832 1.648 1.00 1.00 H new ATOM 0 HD22 LEU A 37 42.783 -6.853 2.766 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.924 -5.646 3.406 1.00 1.00 H new ATOM 546 N VAL A 38 46.894 -8.926 6.572 1.00 1.00 N ATOM 547 CA VAL A 38 46.923 -9.570 7.880 1.00 1.00 C ATOM 548 C VAL A 38 47.837 -8.807 8.833 1.00 1.00 C ATOM 549 O VAL A 38 47.555 -8.699 10.027 1.00 1.00 O ATOM 550 CB VAL A 38 47.416 -11.012 7.742 1.00 1.00 C ATOM 551 CG1 VAL A 38 47.613 -11.619 9.132 1.00 1.00 C ATOM 552 CG2 VAL A 38 46.379 -11.832 6.972 1.00 1.00 C ATOM 0 H VAL A 38 47.702 -9.124 5.982 1.00 1.00 H new ATOM 0 HA VAL A 38 45.912 -9.570 8.286 1.00 1.00 H new ATOM 0 HB VAL A 38 48.363 -11.022 7.203 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.964 -12.646 9.034 1.00 1.00 H new ATOM 0 HG12 VAL A 38 48.350 -11.035 9.683 1.00 1.00 H new ATOM 0 HG13 VAL A 38 46.666 -11.609 9.671 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.729 -12.860 6.873 1.00 1.00 H new ATOM 0 HG22 VAL A 38 45.432 -11.821 7.512 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.236 -11.400 5.981 1.00 1.00 H new ATOM 562 N PHE A 39 48.932 -8.279 8.298 1.00 1.00 N ATOM 563 CA PHE A 39 49.881 -7.527 9.111 1.00 1.00 C ATOM 564 C PHE A 39 49.558 -6.036 9.072 1.00 1.00 C ATOM 565 O PHE A 39 50.456 -5.195 9.116 1.00 1.00 O ATOM 566 CB PHE A 39 51.305 -7.756 8.601 1.00 1.00 C ATOM 567 CG PHE A 39 52.280 -7.601 9.743 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.397 -8.611 10.705 1.00 1.00 C ATOM 569 CD2 PHE A 39 53.068 -6.448 9.840 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.301 -8.469 11.765 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.972 -6.304 10.900 1.00 1.00 C ATOM 572 CZ PHE A 39 54.088 -7.315 11.862 1.00 1.00 C ATOM 0 H PHE A 39 49.184 -8.357 7.313 1.00 1.00 H new ATOM 0 HA PHE A 39 49.804 -7.877 10.140 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.392 -8.752 8.168 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.538 -7.043 7.810 1.00 1.00 H new ATOM 0 HD1 PHE A 39 51.789 -9.501 10.630 1.00 1.00 H new ATOM 0 HD2 PHE A 39 52.979 -5.669 9.097 1.00 1.00 H new ATOM 0 HE1 PHE A 39 53.391 -9.249 12.507 1.00 1.00 H new ATOM 0 HE2 PHE A 39 54.579 -5.414 10.975 1.00 1.00 H new ATOM 0 HZ PHE A 39 54.785 -7.204 12.679 1.00 1.00 H new ATOM 582 N LEU A 40 48.270 -5.717 8.989 1.00 1.00 N ATOM 583 CA LEU A 40 47.839 -4.326 8.944 1.00 1.00 C ATOM 584 C LEU A 40 46.626 -4.112 9.845 1.00 1.00 C ATOM 585 O LEU A 40 46.098 -3.004 9.937 1.00 1.00 O ATOM 586 CB LEU A 40 47.485 -3.934 7.508 1.00 1.00 C ATOM 587 CG LEU A 40 48.752 -3.504 6.769 1.00 1.00 C ATOM 588 CD1 LEU A 40 48.609 -3.824 5.280 1.00 1.00 C ATOM 589 CD2 LEU A 40 48.961 -1.999 6.948 1.00 1.00 C ATOM 0 H LEU A 40 47.512 -6.398 8.952 1.00 1.00 H new ATOM 0 HA LEU A 40 48.658 -3.700 9.300 1.00 1.00 H new ATOM 0 HB2 LEU A 40 47.020 -4.775 6.994 1.00 1.00 H new ATOM 0 HB3 LEU A 40 46.759 -3.121 7.510 1.00 1.00 H new ATOM 0 HG LEU A 40 49.609 -4.042 7.176 1.00 1.00 H new ATOM 0 HD11 LEU A 40 49.513 -3.517 4.753 1.00 1.00 H new ATOM 0 HD12 LEU A 40 48.460 -4.896 5.151 1.00 1.00 H new ATOM 0 HD13 LEU A 40 47.752 -3.287 4.873 1.00 1.00 H new ATOM 0 HD21 LEU A 40 49.864 -1.692 6.421 1.00 1.00 H new ATOM 0 HD22 LEU A 40 48.104 -1.462 6.542 1.00 1.00 H new ATOM 0 HD23 LEU A 40 49.064 -1.770 8.009 1.00 1.00 H new ATOM 601 N LEU A 41 46.193 -5.182 10.507 1.00 1.00 N ATOM 602 CA LEU A 41 45.042 -5.110 11.402 1.00 1.00 C ATOM 603 C LEU A 41 45.477 -5.312 12.850 1.00 1.00 C ATOM 604 O LEU A 41 44.999 -4.626 13.753 1.00 1.00 O ATOM 605 CB LEU A 41 44.018 -6.180 11.021 1.00 1.00 C ATOM 606 CG LEU A 41 43.775 -6.143 9.511 1.00 1.00 C ATOM 607 CD1 LEU A 41 42.726 -7.190 9.135 1.00 1.00 C ATOM 608 CD2 LEU A 41 43.273 -4.753 9.112 1.00 1.00 C ATOM 0 H LEU A 41 46.620 -6.106 10.441 1.00 1.00 H new ATOM 0 HA LEU A 41 44.590 -4.123 11.305 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.379 -7.165 11.317 1.00 1.00 H new ATOM 0 HB3 LEU A 41 43.083 -6.009 11.554 1.00 1.00 H new ATOM 0 HG LEU A 41 44.706 -6.360 8.988 1.00 1.00 H new ATOM 0 HD11 LEU A 41 42.554 -7.162 8.059 1.00 1.00 H new ATOM 0 HD12 LEU A 41 43.082 -8.180 9.420 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.794 -6.975 9.657 1.00 1.00 H new ATOM 0 HD21 LEU A 41 43.099 -4.724 8.036 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.342 -4.538 9.636 1.00 1.00 H new ATOM 0 HD23 LEU A 41 44.020 -4.006 9.379 1.00 1.00 H new ATOM 620 N GLY A 42 46.386 -6.258 13.061 1.00 1.00 N ATOM 621 CA GLY A 42 46.880 -6.542 14.404 1.00 1.00 C ATOM 622 C GLY A 42 47.748 -5.400 14.917 1.00 1.00 C ATOM 623 O GLY A 42 48.207 -5.421 16.060 1.00 1.00 O ATOM 0 H GLY A 42 46.793 -6.837 12.326 1.00 1.00 H new ATOM 0 HA2 GLY A 42 46.039 -6.697 15.080 1.00 1.00 H new ATOM 0 HA3 GLY A 42 47.457 -7.467 14.396 1.00 1.00 H new ATOM 627 N THR A 43 47.971 -4.404 14.066 1.00 1.00 N ATOM 628 CA THR A 43 48.788 -3.256 14.445 1.00 1.00 C ATOM 629 C THR A 43 48.148 -1.960 13.955 1.00 1.00 C ATOM 630 O THR A 43 47.217 -1.449 14.575 1.00 1.00 O ATOM 631 CB THR A 43 50.190 -3.392 13.849 1.00 1.00 C ATOM 632 OG1 THR A 43 50.806 -2.113 13.792 1.00 1.00 O ATOM 633 CG2 THR A 43 50.094 -3.978 12.439 1.00 1.00 C ATOM 0 H THR A 43 47.601 -4.368 13.116 1.00 1.00 H new ATOM 0 HA THR A 43 48.858 -3.226 15.532 1.00 1.00 H new ATOM 0 HB THR A 43 50.787 -4.055 14.475 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.705 -2.200 13.412 1.00 1.00 H new ATOM 0 HG21 THR A 43 51.094 -4.074 12.016 1.00 1.00 H new ATOM 0 HG22 THR A 43 49.623 -4.960 12.484 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.496 -3.318 11.811 1.00 1.00 H new ATOM 641 N THR A 44 48.660 -1.443 12.837 1.00 1.00 N ATOM 642 CA THR A 44 48.146 -0.205 12.250 1.00 1.00 C ATOM 643 C THR A 44 47.668 0.763 13.330 1.00 1.00 C ATOM 644 O THR A 44 46.601 1.364 13.210 1.00 1.00 O ATOM 645 CB THR A 44 46.995 -0.512 11.284 1.00 1.00 C ATOM 646 OG1 THR A 44 46.442 0.708 10.809 1.00 1.00 O ATOM 647 CG2 THR A 44 45.908 -1.320 11.998 1.00 1.00 C ATOM 0 H THR A 44 49.432 -1.864 12.319 1.00 1.00 H new ATOM 0 HA THR A 44 48.962 0.267 11.702 1.00 1.00 H new ATOM 0 HB THR A 44 47.378 -1.095 10.447 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.010 1.182 11.550 1.00 1.00 H new ATOM 0 HG21 THR A 44 45.096 -1.532 11.302 1.00 1.00 H new ATOM 0 HG22 THR A 44 46.330 -2.258 12.360 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.523 -0.746 12.841 1.00 1.00 H new ATOM 655 N GLY A 45 48.467 0.904 14.384 1.00 1.00 N ATOM 656 CA GLY A 45 48.121 1.800 15.483 1.00 1.00 C ATOM 657 C GLY A 45 47.724 1.010 16.724 1.00 1.00 C ATOM 658 O GLY A 45 48.220 1.268 17.820 1.00 1.00 O ATOM 0 H GLY A 45 49.353 0.413 14.500 1.00 1.00 H new ATOM 0 HA2 GLY A 45 48.970 2.444 15.713 1.00 1.00 H new ATOM 0 HA3 GLY A 45 47.299 2.450 15.183 1.00 1.00 H new ATOM 662 N ASN A 46 46.827 0.044 16.545 1.00 1.00 N ATOM 663 CA ASN A 46 46.373 -0.779 17.659 1.00 1.00 C ATOM 664 C ASN A 46 47.478 -1.726 18.112 1.00 1.00 C ATOM 665 O ASN A 46 47.244 -2.637 18.906 1.00 1.00 O ATOM 666 CB ASN A 46 45.141 -1.587 17.245 1.00 1.00 C ATOM 667 CG ASN A 46 45.562 -2.982 16.794 1.00 1.00 C ATOM 668 OD1 ASN A 46 45.838 -3.195 15.536 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 45.641 -3.901 17.608 1.00 1.00 N flip ATOM 0 H ASN A 46 46.404 -0.186 15.646 1.00 1.00 H new ATOM 0 HA ASN A 46 46.113 -0.122 18.488 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.446 -1.660 18.081 1.00 1.00 H new ATOM 0 HB3 ASN A 46 44.616 -1.077 16.437 1.00 1.00 H new ATOM 0 HD21 ASN A 46 45.425 -3.732 18.590 1.00 1.00 H new ATOM 0 HD22 ASN A 46 45.923 -4.832 17.300 1.00 1.00 H new ATOM 676 N GLY A 47 48.685 -1.505 17.599 1.00 1.00 N ATOM 677 CA GLY A 47 49.822 -2.346 17.957 1.00 1.00 C ATOM 678 C GLY A 47 50.643 -1.706 19.071 1.00 1.00 C ATOM 679 O GLY A 47 51.582 -2.311 19.588 1.00 1.00 O ATOM 0 H GLY A 47 48.900 -0.757 16.940 1.00 1.00 H new ATOM 0 HA2 GLY A 47 49.468 -3.326 18.278 1.00 1.00 H new ATOM 0 HA3 GLY A 47 50.451 -2.505 17.082 1.00 1.00 H new ATOM 683 N LEU A 48 50.281 -0.480 19.436 1.00 1.00 N ATOM 684 CA LEU A 48 50.992 0.233 20.491 1.00 1.00 C ATOM 685 C LEU A 48 50.015 1.019 21.359 1.00 1.00 C ATOM 686 O LEU A 48 50.382 1.534 22.415 1.00 1.00 O ATOM 687 CB LEU A 48 52.016 1.189 19.878 1.00 1.00 C ATOM 688 CG LEU A 48 51.346 2.021 18.783 1.00 1.00 C ATOM 689 CD1 LEU A 48 51.744 3.489 18.941 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.799 1.516 17.411 1.00 1.00 C ATOM 0 H LEU A 48 49.506 0.037 19.021 1.00 1.00 H new ATOM 0 HA LEU A 48 51.507 -0.498 21.114 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.425 1.843 20.648 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.851 0.626 19.462 1.00 1.00 H new ATOM 0 HG LEU A 48 50.263 1.927 18.867 1.00 1.00 H new ATOM 0 HD11 LEU A 48 51.266 4.081 18.161 1.00 1.00 H new ATOM 0 HD12 LEU A 48 51.423 3.850 19.918 1.00 1.00 H new ATOM 0 HD13 LEU A 48 52.827 3.584 18.857 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.322 2.108 16.630 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.882 1.610 17.328 1.00 1.00 H new ATOM 0 HD23 LEU A 48 51.516 0.470 17.297 1.00 1.00 H new ATOM 702 N VAL A 49 48.768 1.106 20.908 1.00 1.00 N ATOM 703 CA VAL A 49 47.745 1.832 21.652 1.00 1.00 C ATOM 704 C VAL A 49 46.860 0.864 22.429 1.00 1.00 C ATOM 705 O VAL A 49 46.578 1.076 23.609 1.00 1.00 O ATOM 706 CB VAL A 49 46.885 2.654 20.691 1.00 1.00 C ATOM 707 CG1 VAL A 49 45.811 3.404 21.481 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.768 3.661 19.951 1.00 1.00 C ATOM 0 H VAL A 49 48.443 0.686 20.037 1.00 1.00 H new ATOM 0 HA VAL A 49 48.240 2.500 22.357 1.00 1.00 H new ATOM 0 HB VAL A 49 46.409 1.989 19.971 1.00 1.00 H new ATOM 0 HG11 VAL A 49 45.198 3.990 20.796 1.00 1.00 H new ATOM 0 HG12 VAL A 49 45.181 2.688 22.009 1.00 1.00 H new ATOM 0 HG13 VAL A 49 46.287 4.069 22.201 1.00 1.00 H new ATOM 0 HG21 VAL A 49 47.156 4.247 19.266 1.00 1.00 H new ATOM 0 HG22 VAL A 49 48.244 4.326 20.672 1.00 1.00 H new ATOM 0 HG23 VAL A 49 48.534 3.128 19.388 1.00 1.00 H new ATOM 718 N LEU A 50 46.423 -0.198 21.760 1.00 1.00 N ATOM 719 CA LEU A 50 45.569 -1.193 22.399 1.00 1.00 C ATOM 720 C LEU A 50 46.402 -2.362 22.916 1.00 1.00 C ATOM 721 O LEU A 50 46.370 -2.681 24.105 1.00 1.00 O ATOM 722 CB LEU A 50 44.529 -1.707 21.402 1.00 1.00 C ATOM 723 CG LEU A 50 43.662 -2.774 22.072 1.00 1.00 C ATOM 724 CD1 LEU A 50 42.190 -2.514 21.750 1.00 1.00 C ATOM 725 CD2 LEU A 50 44.060 -4.156 21.549 1.00 1.00 C ATOM 0 H LEU A 50 46.644 -0.391 20.783 1.00 1.00 H new ATOM 0 HA LEU A 50 45.063 -0.722 23.241 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.906 -0.883 21.054 1.00 1.00 H new ATOM 0 HB3 LEU A 50 45.025 -2.124 20.526 1.00 1.00 H new ATOM 0 HG LEU A 50 43.810 -2.735 23.151 1.00 1.00 H new ATOM 0 HD11 LEU A 50 41.573 -3.275 22.228 1.00 1.00 H new ATOM 0 HD12 LEU A 50 41.905 -1.530 22.121 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.041 -2.552 20.671 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.443 -4.917 22.026 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.912 -4.193 20.470 1.00 1.00 H new ATOM 0 HD23 LEU A 50 45.109 -4.344 21.778 1.00 1.00 H new ATOM 737 N TRP A 51 47.147 -2.996 22.017 1.00 1.00 N ATOM 738 CA TRP A 51 47.984 -4.129 22.395 1.00 1.00 C ATOM 739 C TRP A 51 48.749 -3.824 23.678 1.00 1.00 C ATOM 740 O TRP A 51 48.948 -4.702 24.517 1.00 1.00 O ATOM 741 CB TRP A 51 48.973 -4.444 21.271 1.00 1.00 C ATOM 742 CG TRP A 51 50.340 -4.631 21.848 1.00 1.00 C ATOM 743 CD1 TRP A 51 51.193 -3.630 22.166 1.00 1.00 C ATOM 744 CD2 TRP A 51 51.025 -5.874 22.180 1.00 1.00 C ATOM 745 NE1 TRP A 51 52.357 -4.180 22.672 1.00 1.00 N ATOM 746 CE2 TRP A 51 52.302 -5.558 22.700 1.00 1.00 C ATOM 747 CE3 TRP A 51 50.666 -7.231 22.080 1.00 1.00 C ATOM 748 CZ2 TRP A 51 53.192 -6.554 23.108 1.00 1.00 C ATOM 749 CZ3 TRP A 51 51.559 -8.235 22.489 1.00 1.00 C ATOM 750 CH2 TRP A 51 52.818 -7.896 23.002 1.00 1.00 C ATOM 0 H TRP A 51 47.189 -2.747 21.029 1.00 1.00 H new ATOM 0 HA TRP A 51 47.341 -4.992 22.566 1.00 1.00 H new ATOM 0 HB2 TRP A 51 48.664 -5.345 20.742 1.00 1.00 H new ATOM 0 HB3 TRP A 51 48.982 -3.634 20.542 1.00 1.00 H new ATOM 0 HD1 TRP A 51 50.997 -2.575 22.045 1.00 1.00 H new ATOM 0 HE1 TRP A 51 53.159 -3.633 22.986 1.00 1.00 H new ATOM 0 HE3 TRP A 51 49.698 -7.502 21.686 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 54.162 -6.289 23.502 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 51.274 -9.273 22.408 1.00 1.00 H new ATOM 0 HH2 TRP A 51 53.500 -8.673 23.316 1.00 1.00 H new ATOM 761 N THR A 52 49.176 -2.574 23.825 1.00 1.00 N ATOM 762 CA THR A 52 49.919 -2.165 25.012 1.00 1.00 C ATOM 763 C THR A 52 49.105 -2.437 26.272 1.00 1.00 C ATOM 764 O THR A 52 49.654 -2.812 27.309 1.00 1.00 O ATOM 765 CB THR A 52 50.255 -0.675 24.930 1.00 1.00 C ATOM 766 OG1 THR A 52 51.040 -0.305 26.055 1.00 1.00 O ATOM 767 CG2 THR A 52 48.963 0.142 24.916 1.00 1.00 C ATOM 0 H THR A 52 49.022 -1.832 23.143 1.00 1.00 H new ATOM 0 HA THR A 52 50.842 -2.743 25.058 1.00 1.00 H new ATOM 0 HB THR A 52 50.815 -0.479 24.016 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.257 0.649 26.003 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.204 1.203 24.858 1.00 1.00 H new ATOM 0 HG22 THR A 52 48.362 -0.142 24.052 1.00 1.00 H new ATOM 0 HG23 THR A 52 48.400 -0.052 25.829 1.00 1.00 H new ATOM 775 N VAL A 53 47.794 -2.245 26.177 1.00 1.00 N ATOM 776 CA VAL A 53 46.913 -2.473 27.316 1.00 1.00 C ATOM 777 C VAL A 53 47.145 -3.861 27.904 1.00 1.00 C ATOM 778 O VAL A 53 47.297 -4.016 29.116 1.00 1.00 O ATOM 779 CB VAL A 53 45.452 -2.338 26.883 1.00 1.00 C ATOM 780 CG1 VAL A 53 44.538 -2.515 28.096 1.00 1.00 C ATOM 781 CG2 VAL A 53 45.228 -0.952 26.276 1.00 1.00 C ATOM 0 H VAL A 53 47.320 -1.934 25.329 1.00 1.00 H new ATOM 0 HA VAL A 53 47.136 -1.726 28.078 1.00 1.00 H new ATOM 0 HB VAL A 53 45.222 -3.104 26.142 1.00 1.00 H new ATOM 0 HG11 VAL A 53 43.498 -2.418 27.785 1.00 1.00 H new ATOM 0 HG12 VAL A 53 44.697 -3.502 28.530 1.00 1.00 H new ATOM 0 HG13 VAL A 53 44.767 -1.751 28.839 1.00 1.00 H new ATOM 0 HG21 VAL A 53 44.187 -0.854 25.967 1.00 1.00 H new ATOM 0 HG22 VAL A 53 45.460 -0.188 27.018 1.00 1.00 H new ATOM 0 HG23 VAL A 53 45.877 -0.825 25.410 1.00 1.00 H new ATOM 791 N PHE A 54 47.169 -4.868 27.037 1.00 1.00 N ATOM 792 CA PHE A 54 47.383 -6.240 27.480 1.00 1.00 C ATOM 793 C PHE A 54 48.804 -6.421 28.001 1.00 1.00 C ATOM 794 O PHE A 54 49.125 -7.436 28.621 1.00 1.00 O ATOM 795 CB PHE A 54 47.136 -7.207 26.321 1.00 1.00 C ATOM 796 CG PHE A 54 45.804 -7.892 26.511 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.616 -7.186 26.291 1.00 1.00 C ATOM 798 CD2 PHE A 54 45.758 -9.235 26.907 1.00 1.00 C ATOM 799 CE1 PHE A 54 43.381 -7.822 26.468 1.00 1.00 C ATOM 800 CE2 PHE A 54 44.523 -9.870 27.083 1.00 1.00 C ATOM 801 CZ PHE A 54 43.335 -9.164 26.863 1.00 1.00 C ATOM 0 H PHE A 54 47.044 -4.761 26.030 1.00 1.00 H new ATOM 0 HA PHE A 54 46.683 -6.454 28.288 1.00 1.00 H new ATOM 0 HB2 PHE A 54 47.147 -6.667 25.374 1.00 1.00 H new ATOM 0 HB3 PHE A 54 47.934 -7.948 26.275 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.652 -6.151 25.985 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.675 -9.780 27.076 1.00 1.00 H new ATOM 0 HE1 PHE A 54 42.464 -7.277 26.300 1.00 1.00 H new ATOM 0 HE2 PHE A 54 44.487 -10.905 27.389 1.00 1.00 H new ATOM 0 HZ PHE A 54 42.382 -9.655 26.998 1.00 1.00 H new ATOM 811 N ARG A 55 49.653 -5.430 27.748 1.00 1.00 N ATOM 812 CA ARG A 55 51.039 -5.490 28.197 1.00 1.00 C ATOM 813 C ARG A 55 51.222 -4.688 29.481 1.00 1.00 C ATOM 814 O ARG A 55 52.030 -5.046 30.339 1.00 1.00 O ATOM 815 CB ARG A 55 51.965 -4.939 27.112 1.00 1.00 C ATOM 816 CG ARG A 55 53.415 -4.992 27.601 1.00 1.00 C ATOM 817 CD ARG A 55 54.316 -5.501 26.475 1.00 1.00 C ATOM 818 NE ARG A 55 54.146 -6.940 26.304 1.00 1.00 N ATOM 819 CZ ARG A 55 55.029 -7.659 25.619 1.00 1.00 C ATOM 820 NH1 ARG A 55 56.069 -7.079 25.086 1.00 1.00 N ATOM 821 NH2 ARG A 55 54.855 -8.945 25.481 1.00 1.00 N ATOM 0 H ARG A 55 49.408 -4.581 27.238 1.00 1.00 H new ATOM 0 HA ARG A 55 51.292 -6.532 28.394 1.00 1.00 H new ATOM 0 HB2 ARG A 55 51.857 -5.522 26.197 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.689 -3.913 26.871 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.739 -4.001 27.920 1.00 1.00 H new ATOM 0 HG3 ARG A 55 53.494 -5.648 28.468 1.00 1.00 H new ATOM 0 HD2 ARG A 55 54.074 -4.986 25.545 1.00 1.00 H new ATOM 0 HD3 ARG A 55 55.358 -5.275 26.703 1.00 1.00 H new ATOM 0 HE ARG A 55 53.336 -7.402 26.717 1.00 1.00 H new ATOM 0 HH11 ARG A 55 56.204 -6.074 25.195 1.00 1.00 H new ATOM 0 HH12 ARG A 55 56.747 -7.631 24.560 1.00 1.00 H new ATOM 0 HH21 ARG A 55 54.042 -9.397 25.899 1.00 1.00 H new ATOM 0 HH22 ARG A 55 55.532 -9.498 24.955 1.00 1.00 H new ATOM 835 N LYS A 56 50.468 -3.601 29.607 1.00 1.00 N ATOM 836 CA LYS A 56 50.554 -2.755 30.791 1.00 1.00 C ATOM 837 C LYS A 56 50.323 -3.577 32.055 1.00 1.00 C ATOM 838 O LYS A 56 50.720 -3.177 33.149 1.00 1.00 O ATOM 839 CB LYS A 56 49.515 -1.635 30.710 1.00 1.00 C ATOM 840 CG LYS A 56 49.870 -0.692 29.559 1.00 1.00 C ATOM 841 CD LYS A 56 50.642 0.512 30.102 1.00 1.00 C ATOM 842 CE LYS A 56 51.033 1.432 28.945 1.00 1.00 C ATOM 843 NZ LYS A 56 51.070 2.844 29.424 1.00 1.00 N ATOM 0 H LYS A 56 49.795 -3.287 28.908 1.00 1.00 H new ATOM 0 HA LYS A 56 51.553 -2.320 30.832 1.00 1.00 H new ATOM 0 HB2 LYS A 56 48.522 -2.056 30.556 1.00 1.00 H new ATOM 0 HB3 LYS A 56 49.485 -1.084 31.650 1.00 1.00 H new ATOM 0 HG2 LYS A 56 50.471 -1.218 28.817 1.00 1.00 H new ATOM 0 HG3 LYS A 56 48.963 -0.358 29.056 1.00 1.00 H new ATOM 0 HD2 LYS A 56 50.030 1.055 30.822 1.00 1.00 H new ATOM 0 HD3 LYS A 56 51.534 0.177 30.631 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.008 1.145 28.551 1.00 1.00 H new ATOM 0 HE3 LYS A 56 50.317 1.332 28.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 51.336 3.471 28.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 50.131 3.115 29.780 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 51.769 2.933 30.189 1.00 1.00 H new ATOM 857 N LYS A 57 49.676 -4.727 31.896 1.00 1.00 N ATOM 858 CA LYS A 57 49.396 -5.598 33.032 1.00 1.00 C ATOM 859 C LYS A 57 50.550 -6.570 33.258 1.00 1.00 C ATOM 860 O LYS A 57 50.615 -7.241 34.288 1.00 1.00 O ATOM 861 CB LYS A 57 48.106 -6.383 32.783 1.00 1.00 C ATOM 862 CG LYS A 57 47.044 -5.448 32.200 1.00 1.00 C ATOM 863 CD LYS A 57 46.854 -4.248 33.130 1.00 1.00 C ATOM 864 CE LYS A 57 45.518 -3.570 32.823 1.00 1.00 C ATOM 865 NZ LYS A 57 45.340 -2.392 33.719 1.00 1.00 N ATOM 0 H LYS A 57 49.338 -5.076 30.999 1.00 1.00 H new ATOM 0 HA LYS A 57 49.278 -4.978 33.921 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.296 -7.208 32.096 1.00 1.00 H new ATOM 0 HB3 LYS A 57 47.748 -6.821 33.715 1.00 1.00 H new ATOM 0 HG2 LYS A 57 47.347 -5.109 31.209 1.00 1.00 H new ATOM 0 HG3 LYS A 57 46.101 -5.981 32.080 1.00 1.00 H new ATOM 0 HD2 LYS A 57 46.878 -4.573 34.170 1.00 1.00 H new ATOM 0 HD3 LYS A 57 47.672 -3.540 32.999 1.00 1.00 H new ATOM 0 HE2 LYS A 57 45.490 -3.254 31.780 1.00 1.00 H new ATOM 0 HE3 LYS A 57 44.699 -4.275 32.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 44.431 -1.931 33.510 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.349 -2.706 34.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 46.115 -1.716 33.562 1.00 1.00 H new ATOM 879 N GLY A 58 51.457 -6.639 32.290 1.00 1.00 N ATOM 880 CA GLY A 58 52.605 -7.533 32.395 1.00 1.00 C ATOM 881 C GLY A 58 52.401 -8.784 31.547 1.00 1.00 C ATOM 882 O GLY A 58 51.815 -9.765 32.002 1.00 1.00 O ATOM 0 H GLY A 58 51.421 -6.092 31.430 1.00 1.00 H new ATOM 0 HA2 GLY A 58 53.507 -7.013 32.072 1.00 1.00 H new ATOM 0 HA3 GLY A 58 52.756 -7.816 33.437 1.00 1.00 H new ATOM 886 N HIS A 59 52.889 -8.740 30.311 1.00 1.00 N ATOM 887 CA HIS A 59 52.754 -9.877 29.407 1.00 1.00 C ATOM 888 C HIS A 59 53.320 -11.140 30.047 1.00 1.00 C ATOM 889 O HIS A 59 53.019 -12.254 29.617 1.00 1.00 O ATOM 890 CB HIS A 59 53.491 -9.591 28.097 1.00 1.00 C ATOM 891 CG HIS A 59 54.613 -10.579 27.927 1.00 1.00 C ATOM 892 ND1 HIS A 59 54.408 -11.851 27.418 1.00 1.00 N ATOM 893 CD2 HIS A 59 55.956 -10.495 28.197 1.00 1.00 C ATOM 894 CE1 HIS A 59 55.599 -12.476 27.395 1.00 1.00 C ATOM 895 NE2 HIS A 59 56.577 -11.694 27.860 1.00 1.00 N ATOM 0 H HIS A 59 53.377 -7.937 29.915 1.00 1.00 H new ATOM 0 HA HIS A 59 51.695 -10.032 29.202 1.00 1.00 H new ATOM 0 HB2 HIS A 59 52.801 -9.660 27.256 1.00 1.00 H new ATOM 0 HB3 HIS A 59 53.885 -8.575 28.103 1.00 1.00 H new ATOM 0 HD2 HIS A 59 56.455 -9.630 28.608 1.00 1.00 H new ATOM 0 HE1 HIS A 59 55.746 -13.487 27.044 1.00 1.00 H new ATOM 0 HE2 HIS A 59 57.566 -11.926 27.949 1.00 1.00 H new ATOM 903 N HIS A 60 54.141 -10.960 31.077 1.00 1.00 N ATOM 904 CA HIS A 60 54.743 -12.094 31.768 1.00 1.00 C ATOM 905 C HIS A 60 53.924 -12.467 32.999 1.00 1.00 C ATOM 906 O HIS A 60 54.008 -13.591 33.494 1.00 1.00 O ATOM 907 CB HIS A 60 56.173 -11.748 32.189 1.00 1.00 C ATOM 908 CG HIS A 60 56.144 -10.992 33.489 1.00 1.00 C ATOM 909 ND1 HIS A 60 56.502 -11.577 34.693 1.00 1.00 N ATOM 910 CD2 HIS A 60 55.803 -9.696 33.789 1.00 1.00 C ATOM 911 CE1 HIS A 60 56.369 -10.644 35.653 1.00 1.00 C ATOM 912 NE2 HIS A 60 55.946 -9.479 35.156 1.00 1.00 N ATOM 0 H HIS A 60 54.403 -10.047 31.449 1.00 1.00 H new ATOM 0 HA HIS A 60 54.760 -12.944 31.086 1.00 1.00 H new ATOM 0 HB2 HIS A 60 56.762 -12.659 32.299 1.00 1.00 H new ATOM 0 HB3 HIS A 60 56.655 -11.148 31.418 1.00 1.00 H new ATOM 0 HD1 HIS A 60 56.810 -12.540 34.827 1.00 1.00 H new ATOM 0 HD2 HIS A 60 55.474 -8.958 33.073 1.00 1.00 H new ATOM 0 HE1 HIS A 60 56.579 -10.816 36.698 1.00 1.00 H new ATOM 920 N HIS A 61 53.132 -11.517 33.488 1.00 1.00 N ATOM 921 CA HIS A 61 52.302 -11.758 34.662 1.00 1.00 C ATOM 922 C HIS A 61 53.168 -12.114 35.867 1.00 1.00 C ATOM 923 O HIS A 61 53.979 -13.037 35.809 1.00 1.00 O ATOM 924 CB HIS A 61 51.321 -12.898 34.383 1.00 1.00 C ATOM 925 CG HIS A 61 49.962 -12.531 34.912 1.00 1.00 C ATOM 926 ND1 HIS A 61 49.546 -12.881 36.187 1.00 1.00 N ATOM 927 CD2 HIS A 61 48.913 -11.846 34.351 1.00 1.00 C ATOM 928 CE1 HIS A 61 48.297 -12.409 36.350 1.00 1.00 C ATOM 929 NE2 HIS A 61 47.863 -11.769 35.262 1.00 1.00 N ATOM 0 H HIS A 61 53.048 -10.581 33.093 1.00 1.00 H new ATOM 0 HA HIS A 61 51.747 -10.847 34.884 1.00 1.00 H new ATOM 0 HB2 HIS A 61 51.266 -13.091 33.312 1.00 1.00 H new ATOM 0 HB3 HIS A 61 51.671 -13.816 34.854 1.00 1.00 H new ATOM 0 HD2 HIS A 61 48.904 -11.430 33.354 1.00 1.00 H new ATOM 0 HE1 HIS A 61 47.716 -12.533 37.252 1.00 1.00 H new ATOM 0 HE2 HIS A 61 46.957 -11.320 35.127 1.00 1.00 H new ATOM 937 N HIS A 62 52.989 -11.373 36.956 1.00 1.00 N ATOM 938 CA HIS A 62 53.760 -11.619 38.170 1.00 1.00 C ATOM 939 C HIS A 62 53.253 -12.870 38.881 1.00 1.00 C ATOM 940 O HIS A 62 54.038 -13.639 39.437 1.00 1.00 O ATOM 941 CB HIS A 62 53.653 -10.417 39.108 1.00 1.00 C ATOM 942 CG HIS A 62 53.446 -9.165 38.301 1.00 1.00 C ATOM 943 ND1 HIS A 62 54.418 -8.668 37.446 1.00 1.00 N ATOM 944 CD2 HIS A 62 52.384 -8.300 38.205 1.00 1.00 C ATOM 945 CE1 HIS A 62 53.926 -7.551 36.879 1.00 1.00 C ATOM 946 NE2 HIS A 62 52.690 -7.281 37.307 1.00 1.00 N ATOM 0 H HIS A 62 52.323 -10.604 37.023 1.00 1.00 H new ATOM 0 HA HIS A 62 54.803 -11.770 37.892 1.00 1.00 H new ATOM 0 HB2 HIS A 62 52.823 -10.556 39.801 1.00 1.00 H new ATOM 0 HB3 HIS A 62 54.559 -10.329 39.708 1.00 1.00 H new ATOM 0 HD1 HIS A 62 55.338 -9.075 37.278 1.00 1.00 H new ATOM 0 HD2 HIS A 62 51.453 -8.396 38.744 1.00 1.00 H new ATOM 0 HE1 HIS A 62 54.465 -6.946 36.165 1.00 1.00 H new ATOM 954 N HIS A 63 51.940 -13.065 38.860 1.00 1.00 N ATOM 955 CA HIS A 63 51.340 -14.227 39.508 1.00 1.00 C ATOM 956 C HIS A 63 51.954 -14.449 40.886 1.00 1.00 C ATOM 957 O HIS A 63 52.235 -15.582 41.276 1.00 1.00 O ATOM 958 CB HIS A 63 51.552 -15.472 38.646 1.00 1.00 C ATOM 959 CG HIS A 63 50.463 -16.471 38.930 1.00 1.00 C ATOM 960 ND1 HIS A 63 50.713 -17.674 39.573 1.00 1.00 N ATOM 961 CD2 HIS A 63 49.116 -16.459 38.665 1.00 1.00 C ATOM 962 CE1 HIS A 63 49.543 -18.330 39.673 1.00 1.00 C ATOM 963 NE2 HIS A 63 48.537 -17.635 39.135 1.00 1.00 N ATOM 0 H HIS A 63 51.274 -12.440 38.406 1.00 1.00 H new ATOM 0 HA HIS A 63 50.272 -14.043 39.625 1.00 1.00 H new ATOM 0 HB2 HIS A 63 51.546 -15.202 37.590 1.00 1.00 H new ATOM 0 HB3 HIS A 63 52.527 -15.911 38.857 1.00 1.00 H new ATOM 0 HD2 HIS A 63 48.586 -15.660 38.168 1.00 1.00 H new ATOM 0 HE1 HIS A 63 49.431 -19.301 40.133 1.00 1.00 H new ATOM 0 HE2 HIS A 63 47.556 -17.907 39.080 1.00 1.00 H new ATOM 971 N HIS A 64 52.159 -13.360 41.619 1.00 1.00 N ATOM 972 CA HIS A 64 52.741 -13.448 42.954 1.00 1.00 C ATOM 973 C HIS A 64 51.826 -14.235 43.887 1.00 1.00 C ATOM 974 O HIS A 64 50.761 -14.629 43.444 1.00 1.00 O ATOM 975 CB HIS A 64 52.965 -12.044 43.520 1.00 1.00 C ATOM 976 CG HIS A 64 51.660 -11.297 43.538 1.00 1.00 C ATOM 977 ND1 HIS A 64 51.375 -10.286 42.634 1.00 1.00 N ATOM 978 CD2 HIS A 64 50.555 -11.402 44.345 1.00 1.00 C ATOM 979 CE1 HIS A 64 50.142 -9.826 42.915 1.00 1.00 C ATOM 980 NE2 HIS A 64 49.598 -10.472 43.950 1.00 1.00 N ATOM 981 OXT HIS A 64 52.205 -14.431 45.029 1.00 1.00 O ATOM 0 H HIS A 64 51.933 -12.413 41.315 1.00 1.00 H new ATOM 0 HA HIS A 64 53.697 -13.966 42.879 1.00 1.00 H new ATOM 0 HB2 HIS A 64 53.374 -12.108 44.528 1.00 1.00 H new ATOM 0 HB3 HIS A 64 53.695 -11.508 42.913 1.00 1.00 H new ATOM 0 HD2 HIS A 64 50.445 -12.100 45.162 1.00 1.00 H new ATOM 0 HE1 HIS A 64 49.652 -9.032 42.371 1.00 1.00 H new ATOM 0 HE2 HIS A 64 48.678 -10.317 44.362 1.00 1.00 H new TER 989 HIS A 64