USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 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 59 HIS : no HD1:sc= -3.42! C(o=-4.3!,f=-15!) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -0.889 X(o=-4.3,f=-4.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -1.27 (180deg=-1.27) USER MOD Single : A 9 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.23) 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= -4.14 K(o=-4.1,f=-2.2!) USER MOD Single : A 16 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.51) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -57:sc= -0.207! USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -8.97! (180deg=-13.3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -65:sc= 1.03 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 -108:sc= -2.08 USER MOD Single : A 44 THR OG1 : rot -65:sc= 1.22 USER MOD Single : A 46 ASN : amide:sc= 0.168 K(o=0.17,f=-0.36) USER MOD Single : A 52 THR OG1 : rot -43:sc= 0.00432 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 61 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-4.1!) USER MOD Single : A 62 HIS : no HE2:sc= -0.125 K(o=-0.12,f=-0.71) USER MOD Single : A 63 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.28) USER MOD Single : A 64 HIS : no HD1:sc= -0.638 X(o=-0.64,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 56.872 -1.190 -34.690 1.00 1.00 N ATOM 2 CA MET A 1 57.565 -2.505 -34.591 1.00 1.00 C ATOM 3 C MET A 1 58.585 -2.456 -33.459 1.00 1.00 C ATOM 4 O MET A 1 59.115 -3.485 -33.041 1.00 1.00 O ATOM 5 CB MET A 1 58.269 -2.809 -35.915 1.00 1.00 C ATOM 6 CG MET A 1 59.272 -1.697 -36.227 1.00 1.00 C ATOM 7 SD MET A 1 58.969 -1.063 -37.896 1.00 1.00 S ATOM 8 CE MET A 1 60.623 -0.390 -38.187 1.00 1.00 C ATOM 0 H1 MET A 1 56.176 -1.222 -35.462 1.00 1.00 H new ATOM 0 H2 MET A 1 56.386 -0.985 -33.794 1.00 1.00 H new ATOM 0 H3 MET A 1 57.570 -0.444 -34.884 1.00 1.00 H new ATOM 0 HA MET A 1 56.837 -3.290 -34.384 1.00 1.00 H new ATOM 0 HB2 MET A 1 58.782 -3.769 -35.854 1.00 1.00 H new ATOM 0 HB3 MET A 1 57.537 -2.889 -36.718 1.00 1.00 H new ATOM 0 HG2 MET A 1 59.178 -0.892 -35.498 1.00 1.00 H new ATOM 0 HG3 MET A 1 60.290 -2.079 -36.151 1.00 1.00 H new ATOM 0 HE1 MET A 1 60.664 0.060 -39.179 1.00 1.00 H new ATOM 0 HE2 MET A 1 60.845 0.368 -37.436 1.00 1.00 H new ATOM 0 HE3 MET A 1 61.359 -1.192 -38.122 1.00 1.00 H new ATOM 20 N GLU A 2 58.855 -1.251 -32.965 1.00 1.00 N ATOM 21 CA GLU A 2 59.814 -1.080 -31.879 1.00 1.00 C ATOM 22 C GLU A 2 61.145 -1.737 -32.231 1.00 1.00 C ATOM 23 O GLU A 2 61.318 -2.942 -32.055 1.00 1.00 O ATOM 24 CB GLU A 2 59.262 -1.697 -30.592 1.00 1.00 C ATOM 25 CG GLU A 2 58.245 -0.743 -29.963 1.00 1.00 C ATOM 26 CD GLU A 2 57.191 -1.535 -29.198 1.00 1.00 C ATOM 27 OE1 GLU A 2 57.462 -1.904 -28.066 1.00 1.00 O ATOM 28 OE2 GLU A 2 56.129 -1.762 -29.753 1.00 1.00 O ATOM 0 H GLU A 2 58.428 -0.386 -33.296 1.00 1.00 H new ATOM 0 HA GLU A 2 59.977 -0.013 -31.729 1.00 1.00 H new ATOM 0 HB2 GLU A 2 58.791 -2.656 -30.809 1.00 1.00 H new ATOM 0 HB3 GLU A 2 60.075 -1.892 -29.892 1.00 1.00 H new ATOM 0 HG2 GLU A 2 58.751 -0.051 -29.290 1.00 1.00 H new ATOM 0 HG3 GLU A 2 57.769 -0.143 -30.738 1.00 1.00 H new ATOM 35 N GLU A 3 62.081 -0.935 -32.728 1.00 1.00 N ATOM 36 CA GLU A 3 63.394 -1.450 -33.101 1.00 1.00 C ATOM 37 C GLU A 3 64.153 -1.928 -31.867 1.00 1.00 C ATOM 38 O GLU A 3 64.480 -3.108 -31.747 1.00 1.00 O ATOM 39 CB GLU A 3 64.201 -0.359 -33.808 1.00 1.00 C ATOM 40 CG GLU A 3 63.707 -0.211 -35.248 1.00 1.00 C ATOM 41 CD GLU A 3 64.256 1.075 -35.858 1.00 1.00 C ATOM 42 OE1 GLU A 3 63.749 2.131 -35.521 1.00 1.00 O ATOM 43 OE2 GLU A 3 65.177 0.983 -36.653 1.00 1.00 O ATOM 0 H GLU A 3 61.957 0.066 -32.881 1.00 1.00 H new ATOM 0 HA GLU A 3 63.254 -2.294 -33.777 1.00 1.00 H new ATOM 0 HB2 GLU A 3 64.096 0.587 -33.277 1.00 1.00 H new ATOM 0 HB3 GLU A 3 65.261 -0.613 -33.800 1.00 1.00 H new ATOM 0 HG2 GLU A 3 64.025 -1.069 -35.840 1.00 1.00 H new ATOM 0 HG3 GLU A 3 62.617 -0.196 -35.268 1.00 1.00 H new ATOM 50 N GLY A 4 64.428 -1.003 -30.954 1.00 1.00 N ATOM 51 CA GLY A 4 65.150 -1.342 -29.732 1.00 1.00 C ATOM 52 C GLY A 4 66.474 -2.025 -30.053 1.00 1.00 C ATOM 53 O GLY A 4 67.012 -2.773 -29.236 1.00 1.00 O ATOM 0 H GLY A 4 64.165 -0.021 -31.035 1.00 1.00 H new ATOM 0 HA2 GLY A 4 65.334 -0.438 -29.151 1.00 1.00 H new ATOM 0 HA3 GLY A 4 64.538 -1.999 -29.114 1.00 1.00 H new ATOM 57 N GLY A 5 66.995 -1.764 -31.248 1.00 1.00 N ATOM 58 CA GLY A 5 68.258 -2.360 -31.666 1.00 1.00 C ATOM 59 C GLY A 5 68.309 -3.840 -31.304 1.00 1.00 C ATOM 60 O GLY A 5 67.512 -4.638 -31.800 1.00 1.00 O ATOM 0 H GLY A 5 66.566 -1.149 -31.939 1.00 1.00 H new ATOM 0 HA2 GLY A 5 68.382 -2.241 -32.742 1.00 1.00 H new ATOM 0 HA3 GLY A 5 69.087 -1.836 -31.189 1.00 1.00 H new ATOM 64 N ASP A 6 69.248 -4.201 -30.436 1.00 1.00 N ATOM 65 CA ASP A 6 69.393 -5.589 -30.015 1.00 1.00 C ATOM 66 C ASP A 6 70.353 -5.694 -28.834 1.00 1.00 C ATOM 67 O ASP A 6 70.088 -6.407 -27.867 1.00 1.00 O ATOM 68 CB ASP A 6 69.914 -6.436 -31.177 1.00 1.00 C ATOM 69 CG ASP A 6 69.092 -7.715 -31.299 1.00 1.00 C ATOM 70 OD1 ASP A 6 69.017 -8.443 -30.324 1.00 1.00 O ATOM 71 OD2 ASP A 6 68.550 -7.947 -32.367 1.00 1.00 O ATOM 0 H ASP A 6 69.916 -3.556 -30.013 1.00 1.00 H new ATOM 0 HA ASP A 6 68.415 -5.959 -29.707 1.00 1.00 H new ATOM 0 HB2 ASP A 6 69.858 -5.868 -32.106 1.00 1.00 H new ATOM 0 HB3 ASP A 6 70.964 -6.682 -31.017 1.00 1.00 H new ATOM 76 N PHE A 7 71.469 -4.977 -28.921 1.00 1.00 N ATOM 77 CA PHE A 7 72.462 -4.997 -27.852 1.00 1.00 C ATOM 78 C PHE A 7 72.894 -6.428 -27.550 1.00 1.00 C ATOM 79 O PHE A 7 73.022 -6.815 -26.388 1.00 1.00 O ATOM 80 CB PHE A 7 71.883 -4.358 -26.590 1.00 1.00 C ATOM 81 CG PHE A 7 70.833 -3.343 -26.975 1.00 1.00 C ATOM 82 CD1 PHE A 7 71.080 -2.441 -28.015 1.00 1.00 C ATOM 83 CD2 PHE A 7 69.611 -3.306 -26.292 1.00 1.00 C ATOM 84 CE1 PHE A 7 70.107 -1.501 -28.374 1.00 1.00 C ATOM 85 CE2 PHE A 7 68.637 -2.366 -26.650 1.00 1.00 C ATOM 86 CZ PHE A 7 68.885 -1.464 -27.690 1.00 1.00 C ATOM 0 H PHE A 7 71.707 -4.380 -29.713 1.00 1.00 H new ATOM 0 HA PHE A 7 73.333 -4.429 -28.179 1.00 1.00 H new ATOM 0 HB2 PHE A 7 71.446 -5.124 -25.950 1.00 1.00 H new ATOM 0 HB3 PHE A 7 72.676 -3.877 -26.017 1.00 1.00 H new ATOM 0 HD1 PHE A 7 72.022 -2.470 -28.542 1.00 1.00 H new ATOM 0 HD2 PHE A 7 69.420 -4.003 -25.489 1.00 1.00 H new ATOM 0 HE1 PHE A 7 70.298 -0.805 -29.177 1.00 1.00 H new ATOM 0 HE2 PHE A 7 67.695 -2.337 -26.123 1.00 1.00 H new ATOM 0 HZ PHE A 7 68.134 -0.739 -27.966 1.00 1.00 H new ATOM 96 N ASP A 8 73.118 -7.207 -28.607 1.00 1.00 N ATOM 97 CA ASP A 8 73.537 -8.597 -28.452 1.00 1.00 C ATOM 98 C ASP A 8 74.939 -8.799 -29.014 1.00 1.00 C ATOM 99 O ASP A 8 75.229 -9.818 -29.642 1.00 1.00 O ATOM 100 CB ASP A 8 72.557 -9.520 -29.181 1.00 1.00 C ATOM 101 CG ASP A 8 72.710 -9.356 -30.689 1.00 1.00 C ATOM 102 OD1 ASP A 8 73.388 -8.427 -31.099 1.00 1.00 O ATOM 103 OD2 ASP A 8 72.149 -10.162 -31.413 1.00 1.00 O ATOM 0 H ASP A 8 73.017 -6.901 -29.575 1.00 1.00 H new ATOM 0 HA ASP A 8 73.545 -8.839 -27.389 1.00 1.00 H new ATOM 0 HB2 ASP A 8 72.742 -10.556 -28.899 1.00 1.00 H new ATOM 0 HB3 ASP A 8 71.535 -9.287 -28.883 1.00 1.00 H new ATOM 108 N ASN A 9 75.807 -7.818 -28.785 1.00 1.00 N ATOM 109 CA ASN A 9 77.179 -7.895 -29.271 1.00 1.00 C ATOM 110 C ASN A 9 78.150 -7.364 -28.223 1.00 1.00 C ATOM 111 O ASN A 9 78.833 -6.364 -28.445 1.00 1.00 O ATOM 112 CB ASN A 9 77.322 -7.084 -30.561 1.00 1.00 C ATOM 113 CG ASN A 9 78.680 -7.357 -31.200 1.00 1.00 C ATOM 114 OD1 ASN A 9 79.031 -6.736 -32.203 1.00 1.00 O ATOM 115 ND2 ASN A 9 79.467 -8.256 -30.676 1.00 1.00 N ATOM 0 H ASN A 9 75.586 -6.966 -28.269 1.00 1.00 H new ATOM 0 HA ASN A 9 77.416 -8.940 -29.471 1.00 1.00 H new ATOM 0 HB2 ASN A 9 76.524 -7.347 -31.256 1.00 1.00 H new ATOM 0 HB3 ASN A 9 77.219 -6.021 -30.345 1.00 1.00 H new ATOM 0 HD21 ASN A 9 80.376 -8.446 -31.098 1.00 1.00 H new ATOM 0 HD22 ASN A 9 79.173 -8.769 -29.845 1.00 1.00 H new ATOM 122 N TYR A 10 78.204 -8.039 -27.078 1.00 1.00 N ATOM 123 CA TYR A 10 79.095 -7.624 -26.002 1.00 1.00 C ATOM 124 C TYR A 10 79.037 -6.113 -25.809 1.00 1.00 C ATOM 125 O TYR A 10 80.058 -5.469 -25.566 1.00 1.00 O ATOM 126 CB TYR A 10 80.531 -8.046 -26.318 1.00 1.00 C ATOM 127 CG TYR A 10 81.251 -8.385 -25.035 1.00 1.00 C ATOM 128 CD1 TYR A 10 81.086 -9.647 -24.452 1.00 1.00 C ATOM 129 CD2 TYR A 10 82.083 -7.436 -24.429 1.00 1.00 C ATOM 130 CE1 TYR A 10 81.752 -9.960 -23.262 1.00 1.00 C ATOM 131 CE2 TYR A 10 82.749 -7.750 -23.238 1.00 1.00 C ATOM 132 CZ TYR A 10 82.584 -9.012 -22.655 1.00 1.00 C ATOM 133 OH TYR A 10 83.242 -9.321 -21.481 1.00 1.00 O ATOM 0 H TYR A 10 77.646 -8.868 -26.873 1.00 1.00 H new ATOM 0 HA TYR A 10 78.770 -8.108 -25.081 1.00 1.00 H new ATOM 0 HB2 TYR A 10 80.529 -8.908 -26.985 1.00 1.00 H new ATOM 0 HB3 TYR A 10 81.052 -7.242 -26.838 1.00 1.00 H new ATOM 0 HD1 TYR A 10 80.445 -10.379 -24.921 1.00 1.00 H new ATOM 0 HD2 TYR A 10 82.211 -6.463 -24.880 1.00 1.00 H new ATOM 0 HE1 TYR A 10 81.624 -10.933 -22.812 1.00 1.00 H new ATOM 0 HE2 TYR A 10 83.390 -7.018 -22.769 1.00 1.00 H new ATOM 0 HH TYR A 10 83.779 -8.553 -21.195 1.00 1.00 H new ATOM 143 N TYR A 11 77.838 -5.552 -25.921 1.00 1.00 N ATOM 144 CA TYR A 11 77.660 -4.114 -25.757 1.00 1.00 C ATOM 145 C TYR A 11 76.317 -3.810 -25.101 1.00 1.00 C ATOM 146 O TYR A 11 75.263 -3.990 -25.710 1.00 1.00 O ATOM 147 CB TYR A 11 77.731 -3.421 -27.119 1.00 1.00 C ATOM 148 CG TYR A 11 79.079 -2.757 -27.276 1.00 1.00 C ATOM 149 CD1 TYR A 11 79.364 -1.579 -26.577 1.00 1.00 C ATOM 150 CD2 TYR A 11 80.043 -3.321 -28.120 1.00 1.00 C ATOM 151 CE1 TYR A 11 80.613 -0.963 -26.722 1.00 1.00 C ATOM 152 CE2 TYR A 11 81.292 -2.706 -28.265 1.00 1.00 C ATOM 153 CZ TYR A 11 81.577 -1.527 -27.566 1.00 1.00 C ATOM 154 OH TYR A 11 82.808 -0.921 -27.709 1.00 1.00 O ATOM 0 H TYR A 11 76.981 -6.066 -26.123 1.00 1.00 H new ATOM 0 HA TYR A 11 78.458 -3.740 -25.115 1.00 1.00 H new ATOM 0 HB2 TYR A 11 77.576 -4.147 -27.917 1.00 1.00 H new ATOM 0 HB3 TYR A 11 76.936 -2.680 -27.204 1.00 1.00 H new ATOM 0 HD1 TYR A 11 78.620 -1.145 -25.925 1.00 1.00 H new ATOM 0 HD2 TYR A 11 79.823 -4.231 -28.659 1.00 1.00 H new ATOM 0 HE1 TYR A 11 80.833 -0.053 -26.183 1.00 1.00 H new ATOM 0 HE2 TYR A 11 82.036 -3.141 -28.916 1.00 1.00 H new ATOM 0 HH TYR A 11 83.359 -1.442 -28.330 1.00 1.00 H new ATOM 164 N GLY A 12 76.364 -3.349 -23.854 1.00 1.00 N ATOM 165 CA GLY A 12 75.144 -3.024 -23.123 1.00 1.00 C ATOM 166 C GLY A 12 75.213 -3.545 -21.692 1.00 1.00 C ATOM 167 O GLY A 12 74.906 -2.822 -20.743 1.00 1.00 O ATOM 0 H GLY A 12 77.227 -3.193 -23.332 1.00 1.00 H new ATOM 0 HA2 GLY A 12 74.997 -1.944 -23.114 1.00 1.00 H new ATOM 0 HA3 GLY A 12 74.284 -3.459 -23.632 1.00 1.00 H new ATOM 171 N ALA A 13 75.616 -4.802 -21.543 1.00 1.00 N ATOM 172 CA ALA A 13 75.720 -5.409 -20.221 1.00 1.00 C ATOM 173 C ALA A 13 76.388 -6.777 -20.312 1.00 1.00 C ATOM 174 O ALA A 13 77.374 -7.045 -19.626 1.00 1.00 O ATOM 175 CB ALA A 13 74.330 -5.557 -19.604 1.00 1.00 C ATOM 0 H ALA A 13 75.874 -5.417 -22.315 1.00 1.00 H new ATOM 0 HA ALA A 13 76.329 -4.761 -19.590 1.00 1.00 H new ATOM 0 HB1 ALA A 13 74.417 -6.011 -18.617 1.00 1.00 H new ATOM 0 HB2 ALA A 13 73.866 -4.575 -19.512 1.00 1.00 H new ATOM 0 HB3 ALA A 13 73.714 -6.191 -20.242 1.00 1.00 H new ATOM 181 N ASP A 14 75.843 -7.640 -21.163 1.00 1.00 N ATOM 182 CA ASP A 14 76.394 -8.980 -21.336 1.00 1.00 C ATOM 183 C ASP A 14 76.373 -9.741 -20.014 1.00 1.00 C ATOM 184 O ASP A 14 77.387 -10.294 -19.588 1.00 1.00 O ATOM 185 CB ASP A 14 77.832 -8.891 -21.852 1.00 1.00 C ATOM 186 CG ASP A 14 78.231 -10.207 -22.510 1.00 1.00 C ATOM 187 OD1 ASP A 14 78.337 -11.193 -21.799 1.00 1.00 O ATOM 188 OD2 ASP A 14 78.424 -10.211 -23.714 1.00 1.00 O ATOM 0 H ASP A 14 75.026 -7.438 -21.740 1.00 1.00 H new ATOM 0 HA ASP A 14 75.780 -9.515 -22.061 1.00 1.00 H new ATOM 0 HB2 ASP A 14 77.920 -8.075 -22.569 1.00 1.00 H new ATOM 0 HB3 ASP A 14 78.510 -8.666 -21.028 1.00 1.00 H new ATOM 193 N ASN A 15 75.210 -9.766 -19.370 1.00 1.00 N ATOM 194 CA ASN A 15 75.069 -10.464 -18.097 1.00 1.00 C ATOM 195 C ASN A 15 75.970 -9.836 -17.039 1.00 1.00 C ATOM 196 O ASN A 15 77.171 -9.675 -17.254 1.00 1.00 O ATOM 197 CB ASN A 15 75.431 -11.941 -18.268 1.00 1.00 C ATOM 198 CG ASN A 15 74.287 -12.824 -17.780 1.00 1.00 C ATOM 199 OD1 ASN A 15 73.982 -13.842 -18.400 1.00 1.00 O ATOM 200 ND2 ASN A 15 73.637 -12.498 -16.696 1.00 1.00 N ATOM 0 H ASN A 15 74.359 -9.315 -19.705 1.00 1.00 H new ATOM 0 HA ASN A 15 74.032 -10.380 -17.771 1.00 1.00 H new ATOM 0 HB2 ASN A 15 75.641 -12.152 -19.316 1.00 1.00 H new ATOM 0 HB3 ASN A 15 76.339 -12.167 -17.709 1.00 1.00 H new ATOM 0 HD21 ASN A 15 72.875 -13.088 -16.362 1.00 1.00 H new ATOM 0 HD22 ASN A 15 73.891 -11.654 -16.183 1.00 1.00 H new ATOM 207 N GLN A 16 75.379 -9.484 -15.900 1.00 1.00 N ATOM 208 CA GLN A 16 76.133 -8.873 -14.808 1.00 1.00 C ATOM 209 C GLN A 16 76.114 -9.771 -13.575 1.00 1.00 C ATOM 210 O GLN A 16 77.147 -9.986 -12.938 1.00 1.00 O ATOM 211 CB GLN A 16 75.529 -7.512 -14.457 1.00 1.00 C ATOM 212 CG GLN A 16 75.496 -6.629 -15.706 1.00 1.00 C ATOM 213 CD GLN A 16 74.063 -6.199 -16.003 1.00 1.00 C ATOM 214 OE1 GLN A 16 73.699 -5.046 -15.770 1.00 1.00 O ATOM 215 NE2 GLN A 16 73.224 -7.063 -16.505 1.00 1.00 N ATOM 0 H GLN A 16 74.385 -9.610 -15.709 1.00 1.00 H new ATOM 0 HA GLN A 16 77.165 -8.742 -15.132 1.00 1.00 H new ATOM 0 HB2 GLN A 16 74.521 -7.641 -14.063 1.00 1.00 H new ATOM 0 HB3 GLN A 16 76.118 -7.032 -13.675 1.00 1.00 H new ATOM 0 HG2 GLN A 16 76.125 -5.751 -15.557 1.00 1.00 H new ATOM 0 HG3 GLN A 16 75.905 -7.173 -16.557 1.00 1.00 H new ATOM 0 HE21 GLN A 16 73.529 -8.017 -16.697 1.00 1.00 H new ATOM 0 HE22 GLN A 16 72.264 -6.784 -16.706 1.00 1.00 H new ATOM 224 N SER A 17 74.934 -10.288 -13.244 1.00 1.00 N ATOM 225 CA SER A 17 74.786 -11.160 -12.081 1.00 1.00 C ATOM 226 C SER A 17 74.048 -12.443 -12.456 1.00 1.00 C ATOM 227 O SER A 17 74.166 -13.458 -11.769 1.00 1.00 O ATOM 228 CB SER A 17 74.016 -10.432 -10.980 1.00 1.00 C ATOM 229 OG SER A 17 74.932 -9.955 -10.004 1.00 1.00 O ATOM 0 H SER A 17 74.071 -10.120 -13.761 1.00 1.00 H new ATOM 0 HA SER A 17 75.781 -11.422 -11.720 1.00 1.00 H new ATOM 0 HB2 SER A 17 73.452 -9.601 -11.403 1.00 1.00 H new ATOM 0 HB3 SER A 17 73.294 -11.106 -10.519 1.00 1.00 H new ATOM 0 HG SER A 17 74.442 -9.486 -9.297 1.00 1.00 H new ATOM 235 N GLU A 18 73.289 -12.393 -13.546 1.00 1.00 N ATOM 236 CA GLU A 18 72.541 -13.559 -13.997 1.00 1.00 C ATOM 237 C GLU A 18 71.756 -14.173 -12.842 1.00 1.00 C ATOM 238 O GLU A 18 71.820 -15.379 -12.605 1.00 1.00 O ATOM 239 CB GLU A 18 73.503 -14.596 -14.576 1.00 1.00 C ATOM 240 CG GLU A 18 72.778 -15.432 -15.633 1.00 1.00 C ATOM 241 CD GLU A 18 73.575 -16.696 -15.936 1.00 1.00 C ATOM 242 OE1 GLU A 18 74.057 -17.309 -14.998 1.00 1.00 O ATOM 243 OE2 GLU A 18 73.692 -17.033 -17.102 1.00 1.00 O ATOM 0 H GLU A 18 73.177 -11.564 -14.129 1.00 1.00 H new ATOM 0 HA GLU A 18 71.837 -13.245 -14.768 1.00 1.00 H new ATOM 0 HB2 GLU A 18 74.366 -14.099 -15.019 1.00 1.00 H new ATOM 0 HB3 GLU A 18 73.880 -15.241 -13.782 1.00 1.00 H new ATOM 0 HG2 GLU A 18 71.782 -15.697 -15.279 1.00 1.00 H new ATOM 0 HG3 GLU A 18 72.647 -14.848 -16.544 1.00 1.00 H new ATOM 250 N CYS A 19 71.014 -13.334 -12.127 1.00 1.00 N ATOM 251 CA CYS A 19 70.218 -13.803 -10.999 1.00 1.00 C ATOM 252 C CYS A 19 68.864 -13.102 -10.972 1.00 1.00 C ATOM 253 O CYS A 19 67.848 -13.706 -10.623 1.00 1.00 O ATOM 254 CB CYS A 19 70.960 -13.535 -9.688 1.00 1.00 C ATOM 255 SG CYS A 19 69.802 -12.873 -8.465 1.00 1.00 S ATOM 0 H CYS A 19 70.947 -12.332 -12.307 1.00 1.00 H new ATOM 0 HA CYS A 19 70.058 -14.875 -11.112 1.00 1.00 H new ATOM 0 HB2 CYS A 19 71.410 -14.456 -9.317 1.00 1.00 H new ATOM 0 HB3 CYS A 19 71.773 -12.828 -9.855 1.00 1.00 H new ATOM 0 HG CYS A 19 70.431 -12.647 -7.350 1.00 1.00 H new ATOM 261 N GLU A 20 68.855 -11.827 -11.344 1.00 1.00 N ATOM 262 CA GLU A 20 67.619 -11.053 -11.360 1.00 1.00 C ATOM 263 C GLU A 20 66.761 -11.439 -12.561 1.00 1.00 C ATOM 264 O GLU A 20 66.328 -10.579 -13.329 1.00 1.00 O ATOM 265 CB GLU A 20 67.937 -9.559 -11.416 1.00 1.00 C ATOM 266 CG GLU A 20 69.010 -9.304 -12.476 1.00 1.00 C ATOM 267 CD GLU A 20 70.365 -9.101 -11.808 1.00 1.00 C ATOM 268 OE1 GLU A 20 70.529 -8.093 -11.139 1.00 1.00 O ATOM 269 OE2 GLU A 20 71.220 -9.955 -11.975 1.00 1.00 O ATOM 0 H GLU A 20 69.684 -11.310 -11.637 1.00 1.00 H new ATOM 0 HA GLU A 20 67.065 -11.271 -10.447 1.00 1.00 H new ATOM 0 HB2 GLU A 20 67.036 -8.993 -11.652 1.00 1.00 H new ATOM 0 HB3 GLU A 20 68.284 -9.214 -10.442 1.00 1.00 H new ATOM 0 HG2 GLU A 20 69.058 -10.146 -13.166 1.00 1.00 H new ATOM 0 HG3 GLU A 20 68.750 -8.424 -13.064 1.00 1.00 H new ATOM 276 N TYR A 21 66.521 -12.735 -12.716 1.00 1.00 N ATOM 277 CA TYR A 21 65.714 -13.226 -13.826 1.00 1.00 C ATOM 278 C TYR A 21 64.886 -14.433 -13.395 1.00 1.00 C ATOM 279 O TYR A 21 64.435 -15.219 -14.228 1.00 1.00 O ATOM 280 CB TYR A 21 66.617 -13.616 -14.998 1.00 1.00 C ATOM 281 CG TYR A 21 66.142 -12.924 -16.253 1.00 1.00 C ATOM 282 CD1 TYR A 21 65.196 -13.543 -17.078 1.00 1.00 C ATOM 283 CD2 TYR A 21 66.647 -11.663 -16.590 1.00 1.00 C ATOM 284 CE1 TYR A 21 64.756 -12.901 -18.242 1.00 1.00 C ATOM 285 CE2 TYR A 21 66.207 -11.021 -17.753 1.00 1.00 C ATOM 286 CZ TYR A 21 65.261 -11.640 -18.580 1.00 1.00 C ATOM 287 OH TYR A 21 64.827 -11.007 -19.726 1.00 1.00 O ATOM 0 H TYR A 21 66.871 -13.461 -12.091 1.00 1.00 H new ATOM 0 HA TYR A 21 65.039 -12.429 -14.138 1.00 1.00 H new ATOM 0 HB2 TYR A 21 67.649 -13.337 -14.784 1.00 1.00 H new ATOM 0 HB3 TYR A 21 66.602 -14.697 -15.138 1.00 1.00 H new ATOM 0 HD1 TYR A 21 64.805 -14.515 -16.817 1.00 1.00 H new ATOM 0 HD2 TYR A 21 67.376 -11.185 -15.952 1.00 1.00 H new ATOM 0 HE1 TYR A 21 64.027 -13.379 -18.879 1.00 1.00 H new ATOM 0 HE2 TYR A 21 66.597 -10.048 -18.013 1.00 1.00 H new ATOM 0 HH TYR A 21 65.276 -10.140 -19.811 1.00 1.00 H new ATOM 297 N THR A 22 64.689 -14.571 -12.087 1.00 1.00 N ATOM 298 CA THR A 22 63.912 -15.686 -11.552 1.00 1.00 C ATOM 299 C THR A 22 63.617 -15.471 -10.073 1.00 1.00 C ATOM 300 O THR A 22 62.568 -15.878 -9.575 1.00 1.00 O ATOM 301 CB THR A 22 64.680 -16.999 -11.732 1.00 1.00 C ATOM 302 OG1 THR A 22 65.411 -16.958 -12.949 1.00 1.00 O ATOM 303 CG2 THR A 22 63.694 -18.167 -11.768 1.00 1.00 C ATOM 0 H THR A 22 65.053 -13.930 -11.382 1.00 1.00 H new ATOM 0 HA THR A 22 62.970 -15.739 -12.098 1.00 1.00 H new ATOM 0 HB THR A 22 65.370 -17.132 -10.899 1.00 1.00 H new ATOM 0 HG1 THR A 22 64.797 -16.789 -13.694 1.00 1.00 H new ATOM 0 HG21 THR A 22 64.241 -19.101 -11.896 1.00 1.00 H new ATOM 0 HG22 THR A 22 63.134 -18.200 -10.833 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.003 -18.034 -12.600 1.00 1.00 H new ATOM 311 N ASP A 23 64.548 -14.832 -9.377 1.00 1.00 N ATOM 312 CA ASP A 23 64.374 -14.573 -7.955 1.00 1.00 C ATOM 313 C ASP A 23 63.919 -13.136 -7.718 1.00 1.00 C ATOM 314 O ASP A 23 63.894 -12.664 -6.581 1.00 1.00 O ATOM 315 CB ASP A 23 65.691 -14.823 -7.220 1.00 1.00 C ATOM 316 CG ASP A 23 65.428 -14.997 -5.728 1.00 1.00 C ATOM 317 OD1 ASP A 23 64.633 -15.856 -5.384 1.00 1.00 O ATOM 318 OD2 ASP A 23 66.018 -14.262 -4.953 1.00 1.00 O ATOM 0 H ASP A 23 65.424 -14.486 -9.770 1.00 1.00 H new ATOM 0 HA ASP A 23 63.607 -15.247 -7.573 1.00 1.00 H new ATOM 0 HB2 ASP A 23 66.177 -15.714 -7.619 1.00 1.00 H new ATOM 0 HB3 ASP A 23 66.373 -13.988 -7.383 1.00 1.00 H new ATOM 323 N TRP A 24 63.554 -12.446 -8.795 1.00 1.00 N ATOM 324 CA TRP A 24 63.098 -11.066 -8.680 1.00 1.00 C ATOM 325 C TRP A 24 61.573 -11.008 -8.661 1.00 1.00 C ATOM 326 O TRP A 24 60.991 -10.002 -8.255 1.00 1.00 O ATOM 327 CB TRP A 24 63.638 -10.228 -9.842 1.00 1.00 C ATOM 328 CG TRP A 24 62.928 -10.596 -11.105 1.00 1.00 C ATOM 329 CD1 TRP A 24 63.377 -11.493 -12.013 1.00 1.00 C ATOM 330 CD2 TRP A 24 61.658 -10.096 -11.615 1.00 1.00 C ATOM 331 NE1 TRP A 24 62.463 -11.575 -13.049 1.00 1.00 N ATOM 332 CE2 TRP A 24 61.386 -10.733 -12.849 1.00 1.00 C ATOM 333 CE3 TRP A 24 60.725 -9.162 -11.131 1.00 1.00 C ATOM 334 CZ2 TRP A 24 60.231 -10.453 -13.577 1.00 1.00 C ATOM 335 CZ3 TRP A 24 59.560 -8.877 -11.863 1.00 1.00 C ATOM 336 CH2 TRP A 24 59.314 -9.521 -13.083 1.00 1.00 C ATOM 0 H TRP A 24 63.565 -12.815 -9.746 1.00 1.00 H new ATOM 0 HA TRP A 24 63.477 -10.656 -7.744 1.00 1.00 H new ATOM 0 HB2 TRP A 24 63.500 -9.167 -9.632 1.00 1.00 H new ATOM 0 HB3 TRP A 24 64.709 -10.394 -9.955 1.00 1.00 H new ATOM 0 HD1 TRP A 24 64.298 -12.053 -11.941 1.00 1.00 H new ATOM 0 HE1 TRP A 24 62.571 -12.183 -13.861 1.00 1.00 H new ATOM 0 HE3 TRP A 24 60.905 -8.661 -10.191 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 60.046 -10.953 -14.516 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 58.850 -8.157 -11.483 1.00 1.00 H new ATOM 0 HH2 TRP A 24 58.417 -9.297 -13.641 1.00 1.00 H new ATOM 347 N LYS A 25 60.935 -12.097 -9.092 1.00 1.00 N ATOM 348 CA LYS A 25 59.476 -12.166 -9.109 1.00 1.00 C ATOM 349 C LYS A 25 58.989 -13.337 -8.262 1.00 1.00 C ATOM 350 O LYS A 25 57.901 -13.292 -7.687 1.00 1.00 O ATOM 351 CB LYS A 25 58.948 -12.288 -10.556 1.00 1.00 C ATOM 352 CG LYS A 25 59.269 -13.666 -11.182 1.00 1.00 C ATOM 353 CD LYS A 25 60.742 -13.755 -11.589 1.00 1.00 C ATOM 354 CE LYS A 25 60.830 -13.973 -13.102 1.00 1.00 C ATOM 355 NZ LYS A 25 62.256 -13.983 -13.527 1.00 1.00 N ATOM 0 H LYS A 25 61.403 -12.937 -9.432 1.00 1.00 H new ATOM 0 HA LYS A 25 59.086 -11.242 -8.682 1.00 1.00 H new ATOM 0 HB2 LYS A 25 57.869 -12.131 -10.562 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.388 -11.501 -11.169 1.00 1.00 H new ATOM 0 HG2 LYS A 25 59.037 -14.456 -10.468 1.00 1.00 H new ATOM 0 HG3 LYS A 25 58.637 -13.829 -12.055 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.265 -12.841 -11.310 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.229 -14.575 -11.062 1.00 1.00 H new ATOM 0 HE2 LYS A 25 60.354 -14.916 -13.371 1.00 1.00 H new ATOM 0 HE3 LYS A 25 60.291 -13.183 -13.625 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 62.325 -13.675 -14.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 62.802 -13.335 -12.924 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 62.639 -14.946 -13.436 1.00 1.00 H new ATOM 369 N SER A 26 59.803 -14.386 -8.198 1.00 1.00 N ATOM 370 CA SER A 26 59.451 -15.569 -7.426 1.00 1.00 C ATOM 371 C SER A 26 58.801 -15.176 -6.103 1.00 1.00 C ATOM 372 O SER A 26 57.648 -15.515 -5.841 1.00 1.00 O ATOM 373 CB SER A 26 60.700 -16.406 -7.154 1.00 1.00 C ATOM 374 OG SER A 26 60.387 -17.425 -6.212 1.00 1.00 O ATOM 0 H SER A 26 60.706 -14.440 -8.669 1.00 1.00 H new ATOM 0 HA SER A 26 58.739 -16.157 -8.005 1.00 1.00 H new ATOM 0 HB2 SER A 26 61.063 -16.850 -8.081 1.00 1.00 H new ATOM 0 HB3 SER A 26 61.500 -15.773 -6.770 1.00 1.00 H new ATOM 0 HG SER A 26 61.186 -17.965 -6.036 1.00 1.00 H new ATOM 380 N SER A 27 59.551 -14.458 -5.273 1.00 1.00 N ATOM 381 CA SER A 27 59.040 -14.024 -3.979 1.00 1.00 C ATOM 382 C SER A 27 58.302 -12.695 -4.112 1.00 1.00 C ATOM 383 O SER A 27 58.436 -11.812 -3.265 1.00 1.00 O ATOM 384 CB SER A 27 60.193 -13.870 -2.987 1.00 1.00 C ATOM 385 OG SER A 27 59.730 -13.185 -1.831 1.00 1.00 O ATOM 0 H SER A 27 60.508 -14.166 -5.472 1.00 1.00 H new ATOM 0 HA SER A 27 58.344 -14.779 -3.614 1.00 1.00 H new ATOM 0 HB2 SER A 27 60.584 -14.849 -2.711 1.00 1.00 H new ATOM 0 HB3 SER A 27 61.012 -13.318 -3.447 1.00 1.00 H new ATOM 0 HG SER A 27 59.470 -12.272 -2.074 1.00 1.00 H new ATOM 391 N GLY A 28 57.523 -12.561 -5.180 1.00 1.00 N ATOM 392 CA GLY A 28 56.767 -11.336 -5.414 1.00 1.00 C ATOM 393 C GLY A 28 55.429 -11.640 -6.078 1.00 1.00 C ATOM 394 O GLY A 28 54.853 -10.786 -6.753 1.00 1.00 O ATOM 0 H GLY A 28 57.399 -13.280 -5.893 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.599 -10.821 -4.468 1.00 1.00 H new ATOM 0 HA3 GLY A 28 57.346 -10.662 -6.045 1.00 1.00 H new ATOM 398 N ALA A 29 54.942 -12.861 -5.885 1.00 1.00 N ATOM 399 CA ALA A 29 53.670 -13.267 -6.472 1.00 1.00 C ATOM 400 C ALA A 29 52.836 -14.049 -5.462 1.00 1.00 C ATOM 401 O ALA A 29 51.835 -14.671 -5.818 1.00 1.00 O ATOM 402 CB ALA A 29 53.920 -14.133 -7.709 1.00 1.00 C ATOM 0 H ALA A 29 55.404 -13.582 -5.331 1.00 1.00 H new ATOM 0 HA ALA A 29 53.122 -12.370 -6.759 1.00 1.00 H new ATOM 0 HB1 ALA A 29 52.966 -14.433 -8.142 1.00 1.00 H new ATOM 0 HB2 ALA A 29 54.489 -13.563 -8.443 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.484 -15.021 -7.423 1.00 1.00 H new ATOM 408 N LEU A 30 53.255 -14.015 -4.201 1.00 1.00 N ATOM 409 CA LEU A 30 52.537 -14.724 -3.148 1.00 1.00 C ATOM 410 C LEU A 30 52.756 -14.051 -1.798 1.00 1.00 C ATOM 411 O LEU A 30 51.981 -14.249 -0.862 1.00 1.00 O ATOM 412 CB LEU A 30 53.009 -16.178 -3.079 1.00 1.00 C ATOM 413 CG LEU A 30 54.535 -16.227 -3.167 1.00 1.00 C ATOM 414 CD1 LEU A 30 55.076 -17.198 -2.116 1.00 1.00 C ATOM 415 CD2 LEU A 30 54.952 -16.701 -4.560 1.00 1.00 C ATOM 0 H LEU A 30 54.082 -13.508 -3.885 1.00 1.00 H new ATOM 0 HA LEU A 30 51.473 -14.699 -3.383 1.00 1.00 H new ATOM 0 HB2 LEU A 30 52.673 -16.636 -2.149 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.569 -16.753 -3.894 1.00 1.00 H new ATOM 0 HG LEU A 30 54.940 -15.232 -2.986 1.00 1.00 H new ATOM 0 HD11 LEU A 30 56.164 -17.233 -2.179 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.780 -16.861 -1.123 1.00 1.00 H new ATOM 0 HD13 LEU A 30 54.670 -18.193 -2.297 1.00 1.00 H new ATOM 0 HD21 LEU A 30 56.040 -16.736 -4.622 1.00 1.00 H new ATOM 0 HD22 LEU A 30 54.546 -17.696 -4.742 1.00 1.00 H new ATOM 0 HD23 LEU A 30 54.568 -16.009 -5.310 1.00 1.00 H new ATOM 427 N ILE A 31 53.815 -13.252 -1.704 1.00 1.00 N ATOM 428 CA ILE A 31 54.122 -12.554 -0.462 1.00 1.00 C ATOM 429 C ILE A 31 53.297 -11.269 -0.342 1.00 1.00 C ATOM 430 O ILE A 31 52.800 -10.949 0.738 1.00 1.00 O ATOM 431 CB ILE A 31 55.634 -12.257 -0.390 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.283 -13.211 0.616 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.900 -10.811 0.053 1.00 1.00 C ATOM 434 CD1 ILE A 31 56.026 -14.658 0.190 1.00 1.00 C ATOM 0 H ILE A 31 54.469 -13.073 -2.466 1.00 1.00 H new ATOM 0 HA ILE A 31 53.855 -13.193 0.379 1.00 1.00 H new ATOM 0 HB ILE A 31 56.058 -12.396 -1.385 1.00 1.00 H new ATOM 0 HG12 ILE A 31 57.355 -13.023 0.672 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.876 -13.037 1.612 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.975 -10.635 0.093 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.446 -10.123 -0.660 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.468 -10.648 1.040 1.00 1.00 H new ATOM 0 HD11 ILE A 31 56.489 -15.336 0.907 1.00 1.00 H new ATOM 0 HD12 ILE A 31 54.952 -14.842 0.157 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.454 -14.828 -0.798 1.00 1.00 H new ATOM 446 N PRO A 32 53.142 -10.529 -1.414 1.00 1.00 N ATOM 447 CA PRO A 32 52.364 -9.265 -1.407 1.00 1.00 C ATOM 448 C PRO A 32 50.879 -9.501 -1.667 1.00 1.00 C ATOM 449 O PRO A 32 50.175 -8.610 -2.142 1.00 1.00 O ATOM 450 CB PRO A 32 52.999 -8.463 -2.540 1.00 1.00 C ATOM 451 CG PRO A 32 53.530 -9.477 -3.507 1.00 1.00 C ATOM 452 CD PRO A 32 53.685 -10.805 -2.752 1.00 1.00 C ATOM 0 HA PRO A 32 52.399 -8.759 -0.442 1.00 1.00 H new ATOM 0 HB2 PRO A 32 52.266 -7.813 -3.018 1.00 1.00 H new ATOM 0 HB3 PRO A 32 53.798 -7.823 -2.166 1.00 1.00 H new ATOM 0 HG2 PRO A 32 52.850 -9.594 -4.351 1.00 1.00 H new ATOM 0 HG3 PRO A 32 54.489 -9.153 -3.913 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.138 -11.609 -3.245 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.729 -11.114 -2.701 1.00 1.00 H new ATOM 460 N ALA A 33 50.413 -10.706 -1.352 1.00 1.00 N ATOM 461 CA ALA A 33 49.011 -11.056 -1.554 1.00 1.00 C ATOM 462 C ALA A 33 48.418 -11.650 -0.281 1.00 1.00 C ATOM 463 O ALA A 33 47.271 -12.097 -0.267 1.00 1.00 O ATOM 464 CB ALA A 33 48.883 -12.066 -2.697 1.00 1.00 C ATOM 0 H ALA A 33 50.983 -11.454 -0.957 1.00 1.00 H new ATOM 0 HA ALA A 33 48.463 -10.148 -1.808 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.833 -12.322 -2.841 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.279 -11.630 -3.614 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.445 -12.967 -2.451 1.00 1.00 H new ATOM 470 N ILE A 34 49.208 -11.651 0.789 1.00 1.00 N ATOM 471 CA ILE A 34 48.750 -12.191 2.063 1.00 1.00 C ATOM 472 C ILE A 34 49.312 -11.375 3.223 1.00 1.00 C ATOM 473 O ILE A 34 48.609 -11.091 4.193 1.00 1.00 O ATOM 474 CB ILE A 34 49.192 -13.648 2.202 1.00 1.00 C ATOM 475 CG1 ILE A 34 50.144 -14.002 1.058 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.964 -14.560 2.144 1.00 1.00 C ATOM 477 CD1 ILE A 34 50.683 -15.418 1.263 1.00 1.00 C ATOM 0 H ILE A 34 50.161 -11.287 0.799 1.00 1.00 H new ATOM 0 HA ILE A 34 47.662 -12.138 2.089 1.00 1.00 H new ATOM 0 HB ILE A 34 49.702 -13.785 3.155 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.623 -13.934 0.103 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.968 -13.289 1.023 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.278 -15.599 2.243 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.284 -14.307 2.958 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.455 -14.424 1.190 1.00 1.00 H new ATOM 0 HD11 ILE A 34 51.361 -15.671 0.448 1.00 1.00 H new ATOM 0 HD12 ILE A 34 51.219 -15.470 2.211 1.00 1.00 H new ATOM 0 HD13 ILE A 34 49.853 -16.125 1.277 1.00 1.00 H new ATOM 489 N TYR A 35 50.583 -11.000 3.117 1.00 1.00 N ATOM 490 CA TYR A 35 51.228 -10.216 4.164 1.00 1.00 C ATOM 491 C TYR A 35 50.766 -8.764 4.106 1.00 1.00 C ATOM 492 O TYR A 35 51.481 -7.858 4.533 1.00 1.00 O ATOM 493 CB TYR A 35 52.748 -10.277 4.000 1.00 1.00 C ATOM 494 CG TYR A 35 53.256 -11.604 4.512 1.00 1.00 C ATOM 495 CD1 TYR A 35 53.606 -11.747 5.861 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.380 -12.690 3.639 1.00 1.00 C ATOM 497 CE1 TYR A 35 54.078 -12.976 6.335 1.00 1.00 C ATOM 498 CE2 TYR A 35 53.851 -13.920 4.112 1.00 1.00 C ATOM 499 CZ TYR A 35 54.200 -14.063 5.461 1.00 1.00 C ATOM 500 OH TYR A 35 54.665 -15.275 5.928 1.00 1.00 O ATOM 0 H TYR A 35 51.183 -11.224 2.323 1.00 1.00 H new ATOM 0 HA TYR A 35 50.950 -10.636 5.131 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.017 -10.153 2.951 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.217 -9.460 4.548 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.511 -10.909 6.535 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.112 -12.579 2.599 1.00 1.00 H new ATOM 0 HE1 TYR A 35 54.348 -13.086 7.375 1.00 1.00 H new ATOM 0 HE2 TYR A 35 53.945 -14.758 3.438 1.00 1.00 H new ATOM 0 HH TYR A 35 54.687 -15.922 5.192 1.00 1.00 H new ATOM 510 N MET A 36 49.565 -8.552 3.576 1.00 1.00 N ATOM 511 CA MET A 36 49.012 -7.206 3.466 1.00 1.00 C ATOM 512 C MET A 36 47.555 -7.187 3.913 1.00 1.00 C ATOM 513 O MET A 36 47.160 -6.365 4.739 1.00 1.00 O ATOM 514 CB MET A 36 49.111 -6.717 2.019 1.00 1.00 C ATOM 515 CG MET A 36 50.551 -6.868 1.526 1.00 1.00 C ATOM 516 SD MET A 36 51.642 -5.818 2.519 1.00 1.00 S ATOM 517 CE MET A 36 53.205 -6.588 2.029 1.00 1.00 C ATOM 0 H MET A 36 48.959 -9.290 3.218 1.00 1.00 H new ATOM 0 HA MET A 36 49.587 -6.544 4.113 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.436 -7.290 1.383 1.00 1.00 H new ATOM 0 HB3 MET A 36 48.801 -5.674 1.955 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.865 -7.909 1.600 1.00 1.00 H new ATOM 0 HG3 MET A 36 50.618 -6.589 0.475 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.031 -6.087 2.534 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.195 -7.642 2.308 1.00 1.00 H new ATOM 0 HE3 MET A 36 53.332 -6.500 0.950 1.00 1.00 H new ATOM 527 N LEU A 37 46.761 -8.101 3.363 1.00 1.00 N ATOM 528 CA LEU A 37 45.348 -8.180 3.713 1.00 1.00 C ATOM 529 C LEU A 37 45.181 -8.684 5.143 1.00 1.00 C ATOM 530 O LEU A 37 44.068 -8.970 5.584 1.00 1.00 O ATOM 531 CB LEU A 37 44.623 -9.120 2.750 1.00 1.00 C ATOM 532 CG LEU A 37 44.715 -8.566 1.327 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.123 -9.685 0.368 1.00 1.00 C ATOM 534 CD2 LEU A 37 43.354 -8.007 0.908 1.00 1.00 C ATOM 0 H LEU A 37 47.069 -8.792 2.679 1.00 1.00 H new ATOM 0 HA LEU A 37 44.916 -7.182 3.638 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.067 -10.115 2.793 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.579 -9.224 3.044 1.00 1.00 H new ATOM 0 HG LEU A 37 45.460 -7.771 1.295 1.00 1.00 H new ATOM 0 HD11 LEU A 37 45.188 -9.290 -0.646 1.00 1.00 H new ATOM 0 HD12 LEU A 37 46.093 -10.083 0.665 1.00 1.00 H new ATOM 0 HD13 LEU A 37 44.379 -10.481 0.400 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.419 -7.612 -0.106 1.00 1.00 H new ATOM 0 HD22 LEU A 37 42.609 -8.802 0.941 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.063 -7.208 1.590 1.00 1.00 H new ATOM 546 N VAL A 38 46.293 -8.790 5.862 1.00 1.00 N ATOM 547 CA VAL A 38 46.259 -9.261 7.241 1.00 1.00 C ATOM 548 C VAL A 38 47.179 -8.417 8.118 1.00 1.00 C ATOM 549 O VAL A 38 46.753 -7.874 9.138 1.00 1.00 O ATOM 550 CB VAL A 38 46.695 -10.725 7.304 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.299 -11.320 8.656 1.00 1.00 C ATOM 552 CG2 VAL A 38 46.006 -11.508 6.183 1.00 1.00 C ATOM 0 H VAL A 38 47.224 -8.558 5.515 1.00 1.00 H new ATOM 0 HA VAL A 38 45.238 -9.170 7.611 1.00 1.00 H new ATOM 0 HB VAL A 38 47.777 -10.787 7.184 1.00 1.00 H new ATOM 0 HG11 VAL A 38 46.610 -12.364 8.699 1.00 1.00 H new ATOM 0 HG12 VAL A 38 46.786 -10.762 9.456 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.218 -11.259 8.778 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.315 -12.552 6.226 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.925 -11.444 6.306 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.287 -11.085 5.218 1.00 1.00 H new ATOM 562 N PHE A 39 48.441 -8.312 7.714 1.00 1.00 N ATOM 563 CA PHE A 39 49.411 -7.529 8.472 1.00 1.00 C ATOM 564 C PHE A 39 48.784 -6.225 8.954 1.00 1.00 C ATOM 565 O PHE A 39 48.577 -6.031 10.152 1.00 1.00 O ATOM 566 CB PHE A 39 50.632 -7.228 7.600 1.00 1.00 C ATOM 567 CG PHE A 39 51.893 -7.490 8.390 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.201 -8.792 8.801 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.754 -6.433 8.709 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.369 -9.038 9.531 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.922 -6.679 9.441 1.00 1.00 C ATOM 572 CZ PHE A 39 54.230 -7.981 9.851 1.00 1.00 C ATOM 0 H PHE A 39 48.814 -8.755 6.874 1.00 1.00 H new ATOM 0 HA PHE A 39 49.724 -8.108 9.341 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.615 -7.850 6.705 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.608 -6.190 7.267 1.00 1.00 H new ATOM 0 HD1 PHE A 39 51.537 -9.607 8.555 1.00 1.00 H new ATOM 0 HD2 PHE A 39 52.517 -5.428 8.391 1.00 1.00 H new ATOM 0 HE1 PHE A 39 53.606 -10.043 9.848 1.00 1.00 H new ATOM 0 HE2 PHE A 39 54.585 -5.864 9.689 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.132 -8.171 10.414 1.00 1.00 H new ATOM 582 N LEU A 40 48.475 -5.335 8.015 1.00 1.00 N ATOM 583 CA LEU A 40 47.863 -4.057 8.359 1.00 1.00 C ATOM 584 C LEU A 40 46.349 -4.213 8.469 1.00 1.00 C ATOM 585 O LEU A 40 45.595 -3.646 7.678 1.00 1.00 O ATOM 586 CB LEU A 40 48.197 -3.008 7.293 1.00 1.00 C ATOM 587 CG LEU A 40 49.551 -2.363 7.601 1.00 1.00 C ATOM 588 CD1 LEU A 40 50.651 -3.424 7.546 1.00 1.00 C ATOM 589 CD2 LEU A 40 49.843 -1.276 6.564 1.00 1.00 C ATOM 0 H LEU A 40 48.637 -5.474 7.018 1.00 1.00 H new ATOM 0 HA LEU A 40 48.259 -3.728 9.320 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.222 -3.474 6.308 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.419 -2.245 7.265 1.00 1.00 H new ATOM 0 HG LEU A 40 49.523 -1.922 8.597 1.00 1.00 H new ATOM 0 HD11 LEU A 40 51.613 -2.962 7.766 1.00 1.00 H new ATOM 0 HD12 LEU A 40 50.445 -4.200 8.283 1.00 1.00 H new ATOM 0 HD13 LEU A 40 50.680 -3.867 6.550 1.00 1.00 H new ATOM 0 HD21 LEU A 40 50.807 -0.815 6.781 1.00 1.00 H new ATOM 0 HD22 LEU A 40 49.869 -1.720 5.569 1.00 1.00 H new ATOM 0 HD23 LEU A 40 49.061 -0.517 6.602 1.00 1.00 H new ATOM 601 N LEU A 41 45.910 -4.990 9.454 1.00 1.00 N ATOM 602 CA LEU A 41 44.484 -5.217 9.656 1.00 1.00 C ATOM 603 C LEU A 41 44.240 -5.901 10.998 1.00 1.00 C ATOM 604 O LEU A 41 43.379 -5.482 11.772 1.00 1.00 O ATOM 605 CB LEU A 41 43.933 -6.085 8.515 1.00 1.00 C ATOM 606 CG LEU A 41 42.477 -6.481 8.792 1.00 1.00 C ATOM 607 CD1 LEU A 41 41.644 -5.234 9.093 1.00 1.00 C ATOM 608 CD2 LEU A 41 41.905 -7.183 7.558 1.00 1.00 C ATOM 0 H LEU A 41 46.516 -5.470 10.120 1.00 1.00 H new ATOM 0 HA LEU A 41 43.969 -4.256 9.658 1.00 1.00 H new ATOM 0 HB2 LEU A 41 43.994 -5.539 7.574 1.00 1.00 H new ATOM 0 HB3 LEU A 41 44.544 -6.981 8.404 1.00 1.00 H new ATOM 0 HG LEU A 41 42.444 -7.150 9.652 1.00 1.00 H new ATOM 0 HD11 LEU A 41 40.612 -5.524 9.288 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.050 -4.728 9.968 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.675 -4.560 8.237 1.00 1.00 H new ATOM 0 HD21 LEU A 41 40.870 -7.467 7.748 1.00 1.00 H new ATOM 0 HD22 LEU A 41 41.945 -6.507 6.704 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.493 -8.075 7.342 1.00 1.00 H new ATOM 620 N GLY A 42 45.002 -6.956 11.267 1.00 1.00 N ATOM 621 CA GLY A 42 44.859 -7.691 12.517 1.00 1.00 C ATOM 622 C GLY A 42 45.661 -7.033 13.635 1.00 1.00 C ATOM 623 O GLY A 42 45.848 -7.617 14.702 1.00 1.00 O ATOM 0 H GLY A 42 45.720 -7.319 10.640 1.00 1.00 H new ATOM 0 HA2 GLY A 42 43.807 -7.736 12.798 1.00 1.00 H new ATOM 0 HA3 GLY A 42 45.196 -8.718 12.379 1.00 1.00 H new ATOM 627 N THR A 43 46.134 -5.816 13.384 1.00 1.00 N ATOM 628 CA THR A 43 46.915 -5.093 14.381 1.00 1.00 C ATOM 629 C THR A 43 47.188 -3.664 13.920 1.00 1.00 C ATOM 630 O THR A 43 46.917 -2.706 14.645 1.00 1.00 O ATOM 631 CB THR A 43 48.241 -5.815 14.634 1.00 1.00 C ATOM 632 OG1 THR A 43 48.991 -5.096 15.602 1.00 1.00 O ATOM 633 CG2 THR A 43 49.038 -5.901 13.330 1.00 1.00 C ATOM 0 H THR A 43 45.992 -5.314 12.508 1.00 1.00 H new ATOM 0 HA THR A 43 46.340 -5.058 15.307 1.00 1.00 H new ATOM 0 HB THR A 43 48.041 -6.822 15.000 1.00 1.00 H new ATOM 0 HG1 THR A 43 49.751 -4.657 15.167 1.00 1.00 H new ATOM 0 HG21 THR A 43 49.981 -6.415 13.513 1.00 1.00 H new ATOM 0 HG22 THR A 43 48.462 -6.453 12.587 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.239 -4.896 12.959 1.00 1.00 H new ATOM 641 N THR A 44 47.727 -3.528 12.714 1.00 1.00 N ATOM 642 CA THR A 44 48.033 -2.209 12.170 1.00 1.00 C ATOM 643 C THR A 44 48.971 -1.449 13.103 1.00 1.00 C ATOM 644 O THR A 44 49.279 -0.280 12.871 1.00 1.00 O ATOM 645 CB THR A 44 46.743 -1.409 11.978 1.00 1.00 C ATOM 646 OG1 THR A 44 46.430 -0.724 13.182 1.00 1.00 O ATOM 647 CG2 THR A 44 45.601 -2.359 11.616 1.00 1.00 C ATOM 0 H THR A 44 47.960 -4.307 12.098 1.00 1.00 H new ATOM 0 HA THR A 44 48.525 -2.340 11.206 1.00 1.00 H new ATOM 0 HB THR A 44 46.879 -0.686 11.174 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.223 -1.375 13.884 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.682 -1.788 11.479 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.843 -2.883 10.692 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.462 -3.083 12.419 1.00 1.00 H new ATOM 655 N GLY A 45 49.418 -2.121 14.159 1.00 1.00 N ATOM 656 CA GLY A 45 50.320 -1.499 15.121 1.00 1.00 C ATOM 657 C GLY A 45 49.576 -1.113 16.395 1.00 1.00 C ATOM 658 O GLY A 45 50.190 -0.823 17.421 1.00 1.00 O ATOM 0 H GLY A 45 49.173 -3.088 14.369 1.00 1.00 H new ATOM 0 HA2 GLY A 45 51.130 -2.187 15.363 1.00 1.00 H new ATOM 0 HA3 GLY A 45 50.775 -0.613 14.678 1.00 1.00 H new ATOM 662 N ASN A 46 48.248 -1.110 16.320 1.00 1.00 N ATOM 663 CA ASN A 46 47.430 -0.757 17.474 1.00 1.00 C ATOM 664 C ASN A 46 47.103 -1.998 18.298 1.00 1.00 C ATOM 665 O ASN A 46 46.431 -1.913 19.326 1.00 1.00 O ATOM 666 CB ASN A 46 46.132 -0.093 17.010 1.00 1.00 C ATOM 667 CG ASN A 46 44.955 -1.038 17.233 1.00 1.00 C ATOM 668 OD1 ASN A 46 44.070 -0.750 18.039 1.00 1.00 O ATOM 669 ND2 ASN A 46 44.892 -2.156 16.564 1.00 1.00 N ATOM 0 H ASN A 46 47.720 -1.346 15.480 1.00 1.00 H new ATOM 0 HA ASN A 46 47.992 -0.060 18.095 1.00 1.00 H new ATOM 0 HB2 ASN A 46 45.973 0.836 17.558 1.00 1.00 H new ATOM 0 HB3 ASN A 46 46.204 0.168 15.954 1.00 1.00 H new ATOM 0 HD21 ASN A 46 44.109 -2.793 16.708 1.00 1.00 H new ATOM 0 HD22 ASN A 46 45.626 -2.393 15.897 1.00 1.00 H new ATOM 676 N GLY A 47 47.583 -3.149 17.841 1.00 1.00 N ATOM 677 CA GLY A 47 47.336 -4.402 18.544 1.00 1.00 C ATOM 678 C GLY A 47 48.458 -4.703 19.532 1.00 1.00 C ATOM 679 O GLY A 47 48.361 -5.636 20.331 1.00 1.00 O ATOM 0 H GLY A 47 48.142 -3.241 16.993 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.385 -4.345 19.074 1.00 1.00 H new ATOM 0 HA3 GLY A 47 47.251 -5.217 17.825 1.00 1.00 H new ATOM 683 N LEU A 48 49.520 -3.909 19.473 1.00 1.00 N ATOM 684 CA LEU A 48 50.656 -4.099 20.367 1.00 1.00 C ATOM 685 C LEU A 48 51.173 -2.755 20.871 1.00 1.00 C ATOM 686 O LEU A 48 52.315 -2.647 21.319 1.00 1.00 O ATOM 687 CB LEU A 48 51.778 -4.839 19.638 1.00 1.00 C ATOM 688 CG LEU A 48 51.945 -4.257 18.233 1.00 1.00 C ATOM 689 CD1 LEU A 48 53.434 -4.117 17.911 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.289 -5.192 17.214 1.00 1.00 C ATOM 0 H LEU A 48 49.619 -3.132 18.820 1.00 1.00 H new ATOM 0 HA LEU A 48 50.326 -4.691 21.220 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.711 -4.746 20.195 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.547 -5.903 19.577 1.00 1.00 H new ATOM 0 HG LEU A 48 51.470 -3.277 18.187 1.00 1.00 H new ATOM 0 HD11 LEU A 48 53.552 -3.702 16.910 1.00 1.00 H new ATOM 0 HD12 LEU A 48 53.902 -3.452 18.637 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.910 -5.097 17.957 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.407 -4.779 16.212 1.00 1.00 H new ATOM 0 HD22 LEU A 48 51.764 -6.172 17.261 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.228 -5.292 17.442 1.00 1.00 H new ATOM 702 N VAL A 49 50.326 -1.734 20.794 1.00 1.00 N ATOM 703 CA VAL A 49 50.710 -0.401 21.245 1.00 1.00 C ATOM 704 C VAL A 49 49.565 0.255 22.010 1.00 1.00 C ATOM 705 O VAL A 49 49.652 1.423 22.394 1.00 1.00 O ATOM 706 CB VAL A 49 51.087 0.468 20.046 1.00 1.00 C ATOM 707 CG1 VAL A 49 51.454 1.872 20.527 1.00 1.00 C ATOM 708 CG2 VAL A 49 52.286 -0.153 19.325 1.00 1.00 C ATOM 0 H VAL A 49 49.377 -1.802 20.427 1.00 1.00 H new ATOM 0 HA VAL A 49 51.569 -0.496 21.909 1.00 1.00 H new ATOM 0 HB VAL A 49 50.241 0.529 19.362 1.00 1.00 H new ATOM 0 HG11 VAL A 49 51.723 2.491 19.671 1.00 1.00 H new ATOM 0 HG12 VAL A 49 50.601 2.315 21.042 1.00 1.00 H new ATOM 0 HG13 VAL A 49 52.300 1.812 21.212 1.00 1.00 H new ATOM 0 HG21 VAL A 49 52.556 0.466 18.469 1.00 1.00 H new ATOM 0 HG22 VAL A 49 53.131 -0.214 20.010 1.00 1.00 H new ATOM 0 HG23 VAL A 49 52.025 -1.154 18.981 1.00 1.00 H new ATOM 718 N LEU A 50 48.494 -0.502 22.225 1.00 1.00 N ATOM 719 CA LEU A 50 47.333 0.013 22.944 1.00 1.00 C ATOM 720 C LEU A 50 46.874 -0.994 23.995 1.00 1.00 C ATOM 721 O LEU A 50 46.885 -0.706 25.192 1.00 1.00 O ATOM 722 CB LEU A 50 46.196 0.296 21.955 1.00 1.00 C ATOM 723 CG LEU A 50 44.893 0.601 22.707 1.00 1.00 C ATOM 724 CD1 LEU A 50 45.146 1.661 23.782 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.852 1.128 21.717 1.00 1.00 C ATOM 0 H LEU A 50 48.405 -1.469 21.914 1.00 1.00 H new ATOM 0 HA LEU A 50 47.609 0.940 23.447 1.00 1.00 H new ATOM 0 HB2 LEU A 50 46.461 1.140 21.318 1.00 1.00 H new ATOM 0 HB3 LEU A 50 46.053 -0.564 21.301 1.00 1.00 H new ATOM 0 HG LEU A 50 44.530 -0.311 23.180 1.00 1.00 H new ATOM 0 HD11 LEU A 50 44.217 1.872 24.311 1.00 1.00 H new ATOM 0 HD12 LEU A 50 45.890 1.293 24.488 1.00 1.00 H new ATOM 0 HD13 LEU A 50 45.512 2.575 23.313 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.924 1.346 22.246 1.00 1.00 H new ATOM 0 HD22 LEU A 50 44.225 2.038 21.247 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.664 0.375 20.951 1.00 1.00 H new ATOM 737 N TRP A 51 46.474 -2.175 23.538 1.00 1.00 N ATOM 738 CA TRP A 51 46.014 -3.219 24.448 1.00 1.00 C ATOM 739 C TRP A 51 47.173 -3.737 25.293 1.00 1.00 C ATOM 740 O TRP A 51 46.972 -4.505 26.235 1.00 1.00 O ATOM 741 CB TRP A 51 45.404 -4.374 23.653 1.00 1.00 C ATOM 742 CG TRP A 51 46.167 -5.630 23.934 1.00 1.00 C ATOM 743 CD1 TRP A 51 47.365 -5.947 23.392 1.00 1.00 C ATOM 744 CD2 TRP A 51 45.806 -6.736 24.810 1.00 1.00 C ATOM 745 NE1 TRP A 51 47.763 -7.179 23.881 1.00 1.00 N ATOM 746 CE2 TRP A 51 46.836 -7.705 24.759 1.00 1.00 C ATOM 747 CE3 TRP A 51 44.697 -6.990 25.636 1.00 1.00 C ATOM 748 CZ2 TRP A 51 46.768 -8.885 25.500 1.00 1.00 C ATOM 749 CZ3 TRP A 51 44.625 -8.176 26.385 1.00 1.00 C ATOM 750 CH2 TRP A 51 45.658 -9.122 26.316 1.00 1.00 C ATOM 0 H TRP A 51 46.458 -2.433 22.551 1.00 1.00 H new ATOM 0 HA TRP A 51 45.257 -2.794 25.108 1.00 1.00 H new ATOM 0 HB2 TRP A 51 44.356 -4.504 23.925 1.00 1.00 H new ATOM 0 HB3 TRP A 51 45.431 -4.150 22.587 1.00 1.00 H new ATOM 0 HD1 TRP A 51 47.920 -5.339 22.693 1.00 1.00 H new ATOM 0 HE1 TRP A 51 48.635 -7.642 23.624 1.00 1.00 H new ATOM 0 HE3 TRP A 51 43.895 -6.269 25.695 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 47.567 -9.610 25.444 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 43.769 -8.360 27.018 1.00 1.00 H new ATOM 0 HH2 TRP A 51 45.596 -10.033 26.893 1.00 1.00 H new ATOM 761 N THR A 52 48.385 -3.313 24.951 1.00 1.00 N ATOM 762 CA THR A 52 49.569 -3.742 25.686 1.00 1.00 C ATOM 763 C THR A 52 49.893 -2.756 26.805 1.00 1.00 C ATOM 764 O THR A 52 50.751 -3.019 27.648 1.00 1.00 O ATOM 765 CB THR A 52 50.764 -3.849 24.736 1.00 1.00 C ATOM 766 OG1 THR A 52 51.717 -4.753 25.276 1.00 1.00 O ATOM 767 CG2 THR A 52 51.405 -2.472 24.561 1.00 1.00 C ATOM 0 H THR A 52 48.573 -2.678 24.176 1.00 1.00 H new ATOM 0 HA THR A 52 49.366 -4.719 26.125 1.00 1.00 H new ATOM 0 HB THR A 52 50.426 -4.214 23.766 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.815 -4.590 26.237 1.00 1.00 H new ATOM 0 HG21 THR A 52 52.256 -2.550 23.884 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.673 -1.780 24.145 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.744 -2.103 25.529 1.00 1.00 H new ATOM 775 N VAL A 53 49.203 -1.620 26.804 1.00 1.00 N ATOM 776 CA VAL A 53 49.427 -0.602 27.824 1.00 1.00 C ATOM 777 C VAL A 53 48.912 -1.075 29.179 1.00 1.00 C ATOM 778 O VAL A 53 49.574 -0.899 30.202 1.00 1.00 O ATOM 779 CB VAL A 53 48.717 0.695 27.432 1.00 1.00 C ATOM 780 CG1 VAL A 53 49.032 1.783 28.460 1.00 1.00 C ATOM 781 CG2 VAL A 53 49.202 1.143 26.051 1.00 1.00 C ATOM 0 H VAL A 53 48.490 -1.382 26.115 1.00 1.00 H new ATOM 0 HA VAL A 53 50.499 -0.422 27.899 1.00 1.00 H new ATOM 0 HB VAL A 53 47.641 0.525 27.404 1.00 1.00 H new ATOM 0 HG11 VAL A 53 48.525 2.706 28.179 1.00 1.00 H new ATOM 0 HG12 VAL A 53 48.687 1.465 29.444 1.00 1.00 H new ATOM 0 HG13 VAL A 53 50.108 1.954 28.490 1.00 1.00 H new ATOM 0 HG21 VAL A 53 48.697 2.067 25.770 1.00 1.00 H new ATOM 0 HG22 VAL A 53 50.278 1.312 26.081 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.977 0.369 25.317 1.00 1.00 H new ATOM 791 N PHE A 54 47.726 -1.676 29.180 1.00 1.00 N ATOM 792 CA PHE A 54 47.133 -2.170 30.417 1.00 1.00 C ATOM 793 C PHE A 54 47.666 -3.558 30.752 1.00 1.00 C ATOM 794 O PHE A 54 47.278 -4.159 31.754 1.00 1.00 O ATOM 795 CB PHE A 54 45.609 -2.226 30.279 1.00 1.00 C ATOM 796 CG PHE A 54 45.154 -3.665 30.293 1.00 1.00 C ATOM 797 CD1 PHE A 54 45.278 -4.450 29.140 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.608 -4.215 31.459 1.00 1.00 C ATOM 799 CE1 PHE A 54 44.854 -5.784 29.152 1.00 1.00 C ATOM 800 CE2 PHE A 54 44.186 -5.550 31.471 1.00 1.00 C ATOM 801 CZ PHE A 54 44.308 -6.334 30.318 1.00 1.00 C ATOM 0 H PHE A 54 47.161 -1.832 28.345 1.00 1.00 H new ATOM 0 HA PHE A 54 47.401 -1.487 31.223 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.139 -1.677 31.095 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.299 -1.745 29.351 1.00 1.00 H new ATOM 0 HD1 PHE A 54 45.701 -4.026 28.241 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.512 -3.610 32.349 1.00 1.00 H new ATOM 0 HE1 PHE A 54 44.948 -6.389 28.262 1.00 1.00 H new ATOM 0 HE2 PHE A 54 43.766 -5.975 32.371 1.00 1.00 H new ATOM 0 HZ PHE A 54 43.981 -7.363 30.328 1.00 1.00 H new ATOM 811 N ARG A 55 48.560 -4.063 29.908 1.00 1.00 N ATOM 812 CA ARG A 55 49.141 -5.383 30.124 1.00 1.00 C ATOM 813 C ARG A 55 50.533 -5.263 30.736 1.00 1.00 C ATOM 814 O ARG A 55 50.864 -5.963 31.692 1.00 1.00 O ATOM 815 CB ARG A 55 49.227 -6.141 28.799 1.00 1.00 C ATOM 816 CG ARG A 55 49.611 -7.598 29.071 1.00 1.00 C ATOM 817 CD ARG A 55 49.497 -8.415 27.783 1.00 1.00 C ATOM 818 NE ARG A 55 49.476 -9.839 28.098 1.00 1.00 N ATOM 819 CZ ARG A 55 50.600 -10.535 28.237 1.00 1.00 C ATOM 820 NH1 ARG A 55 51.754 -9.943 28.098 1.00 1.00 N ATOM 821 NH2 ARG A 55 50.548 -11.810 28.511 1.00 1.00 N ATOM 0 H ARG A 55 48.896 -3.582 29.074 1.00 1.00 H new ATOM 0 HA ARG A 55 48.500 -5.932 30.814 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.270 -6.097 28.279 1.00 1.00 H new ATOM 0 HB3 ARG A 55 49.966 -5.674 28.147 1.00 1.00 H new ATOM 0 HG2 ARG A 55 50.630 -7.649 29.456 1.00 1.00 H new ATOM 0 HG3 ARG A 55 48.960 -8.018 29.837 1.00 1.00 H new ATOM 0 HD2 ARG A 55 48.589 -8.139 27.246 1.00 1.00 H new ATOM 0 HD3 ARG A 55 50.337 -8.192 27.125 1.00 1.00 H new ATOM 0 HE ARG A 55 48.579 -10.311 28.214 1.00 1.00 H new ATOM 0 HH11 ARG A 55 51.793 -8.947 27.883 1.00 1.00 H new ATOM 0 HH12 ARG A 55 52.617 -10.476 28.205 1.00 1.00 H new ATOM 0 HH21 ARG A 55 49.645 -12.272 28.618 1.00 1.00 H new ATOM 0 HH22 ARG A 55 51.410 -12.344 28.618 1.00 1.00 H new ATOM 835 N LYS A 56 51.345 -4.371 30.177 1.00 1.00 N ATOM 836 CA LYS A 56 52.700 -4.168 30.676 1.00 1.00 C ATOM 837 C LYS A 56 52.671 -3.719 32.133 1.00 1.00 C ATOM 838 O LYS A 56 53.655 -3.870 32.858 1.00 1.00 O ATOM 839 CB LYS A 56 53.416 -3.115 29.828 1.00 1.00 C ATOM 840 CG LYS A 56 52.567 -1.844 29.767 1.00 1.00 C ATOM 841 CD LYS A 56 53.360 -0.673 30.350 1.00 1.00 C ATOM 842 CE LYS A 56 52.561 0.620 30.177 1.00 1.00 C ATOM 843 NZ LYS A 56 53.144 1.683 31.044 1.00 1.00 N ATOM 0 H LYS A 56 51.091 -3.782 29.384 1.00 1.00 H new ATOM 0 HA LYS A 56 53.238 -5.113 30.610 1.00 1.00 H new ATOM 0 HB2 LYS A 56 54.393 -2.892 30.256 1.00 1.00 H new ATOM 0 HB3 LYS A 56 53.588 -3.498 28.822 1.00 1.00 H new ATOM 0 HG2 LYS A 56 52.287 -1.630 28.736 1.00 1.00 H new ATOM 0 HG3 LYS A 56 51.642 -1.985 30.326 1.00 1.00 H new ATOM 0 HD2 LYS A 56 53.564 -0.848 31.406 1.00 1.00 H new ATOM 0 HD3 LYS A 56 54.324 -0.587 29.849 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.580 0.935 29.134 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.517 0.453 30.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 52.602 2.563 30.927 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 53.104 1.381 32.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 54.134 1.848 30.772 1.00 1.00 H new ATOM 857 N LYS A 57 51.539 -3.166 32.555 1.00 1.00 N ATOM 858 CA LYS A 57 51.393 -2.698 33.929 1.00 1.00 C ATOM 859 C LYS A 57 50.590 -3.698 34.753 1.00 1.00 C ATOM 860 O LYS A 57 50.148 -3.392 35.861 1.00 1.00 O ATOM 861 CB LYS A 57 50.692 -1.339 33.945 1.00 1.00 C ATOM 862 CG LYS A 57 49.299 -1.475 33.329 1.00 1.00 C ATOM 863 CD LYS A 57 48.237 -1.237 34.405 1.00 1.00 C ATOM 864 CE LYS A 57 48.278 0.227 34.847 1.00 1.00 C ATOM 865 NZ LYS A 57 48.440 0.294 36.326 1.00 1.00 N ATOM 0 H LYS A 57 50.714 -3.031 31.970 1.00 1.00 H new ATOM 0 HA LYS A 57 52.386 -2.599 34.367 1.00 1.00 H new ATOM 0 HB2 LYS A 57 50.614 -0.970 34.968 1.00 1.00 H new ATOM 0 HB3 LYS A 57 51.278 -0.609 33.387 1.00 1.00 H new ATOM 0 HG2 LYS A 57 49.177 -0.757 32.518 1.00 1.00 H new ATOM 0 HG3 LYS A 57 49.177 -2.468 32.896 1.00 1.00 H new ATOM 0 HD2 LYS A 57 47.249 -1.483 34.016 1.00 1.00 H new ATOM 0 HD3 LYS A 57 48.416 -1.891 35.259 1.00 1.00 H new ATOM 0 HE2 LYS A 57 49.103 0.743 34.356 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.361 0.734 34.547 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 48.468 1.289 36.627 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 47.639 -0.184 36.785 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 49.327 -0.176 36.600 1.00 1.00 H new ATOM 879 N GLY A 58 50.404 -4.895 34.206 1.00 1.00 N ATOM 880 CA GLY A 58 49.651 -5.933 34.901 1.00 1.00 C ATOM 881 C GLY A 58 50.120 -7.321 34.477 1.00 1.00 C ATOM 882 O GLY A 58 50.627 -8.091 35.294 1.00 1.00 O ATOM 0 H GLY A 58 50.761 -5.169 33.291 1.00 1.00 H new ATOM 0 HA2 GLY A 58 49.772 -5.817 35.978 1.00 1.00 H new ATOM 0 HA3 GLY A 58 48.588 -5.822 34.686 1.00 1.00 H new ATOM 886 N HIS A 59 49.949 -7.634 33.197 1.00 1.00 N ATOM 887 CA HIS A 59 50.358 -8.933 32.677 1.00 1.00 C ATOM 888 C HIS A 59 49.495 -10.044 33.267 1.00 1.00 C ATOM 889 O HIS A 59 48.720 -10.685 32.558 1.00 1.00 O ATOM 890 CB HIS A 59 51.828 -9.192 33.013 1.00 1.00 C ATOM 891 CG HIS A 59 52.548 -9.669 31.783 1.00 1.00 C ATOM 892 ND1 HIS A 59 52.973 -10.981 31.637 1.00 1.00 N ATOM 893 CD2 HIS A 59 52.925 -9.023 30.632 1.00 1.00 C ATOM 894 CE1 HIS A 59 53.576 -11.081 30.438 1.00 1.00 C ATOM 895 NE2 HIS A 59 53.574 -9.917 29.784 1.00 1.00 N ATOM 0 H HIS A 59 49.533 -7.011 32.505 1.00 1.00 H new ATOM 0 HA HIS A 59 50.229 -8.926 31.595 1.00 1.00 H new ATOM 0 HB2 HIS A 59 52.292 -8.280 33.388 1.00 1.00 H new ATOM 0 HB3 HIS A 59 51.905 -9.938 33.804 1.00 1.00 H new ATOM 0 HD2 HIS A 59 52.746 -7.980 30.417 1.00 1.00 H new ATOM 0 HE1 HIS A 59 54.009 -11.992 30.052 1.00 1.00 H new ATOM 0 HE2 HIS A 59 53.964 -9.724 28.861 1.00 1.00 H new ATOM 903 N HIS A 60 49.636 -10.267 34.570 1.00 1.00 N ATOM 904 CA HIS A 60 48.864 -11.304 35.245 1.00 1.00 C ATOM 905 C HIS A 60 48.438 -10.836 36.634 1.00 1.00 C ATOM 906 O HIS A 60 47.338 -11.145 37.093 1.00 1.00 O ATOM 907 CB HIS A 60 49.698 -12.579 35.368 1.00 1.00 C ATOM 908 CG HIS A 60 50.173 -13.001 34.005 1.00 1.00 C ATOM 909 ND1 HIS A 60 49.324 -13.569 33.068 1.00 1.00 N ATOM 910 CD2 HIS A 60 51.407 -12.945 33.405 1.00 1.00 C ATOM 911 CE1 HIS A 60 50.051 -13.829 31.966 1.00 1.00 C ATOM 912 NE2 HIS A 60 51.328 -13.468 32.118 1.00 1.00 N ATOM 0 H HIS A 60 50.272 -9.748 35.175 1.00 1.00 H new ATOM 0 HA HIS A 60 47.972 -11.510 34.654 1.00 1.00 H new ATOM 0 HB2 HIS A 60 50.551 -12.407 36.025 1.00 1.00 H new ATOM 0 HB3 HIS A 60 49.103 -13.373 35.820 1.00 1.00 H new ATOM 0 HD2 HIS A 60 52.304 -12.554 33.863 1.00 1.00 H new ATOM 0 HE1 HIS A 60 49.651 -14.275 31.068 1.00 1.00 H new ATOM 0 HE2 HIS A 60 52.083 -13.557 31.437 1.00 1.00 H new ATOM 920 N HIS A 61 49.317 -10.092 37.297 1.00 1.00 N ATOM 921 CA HIS A 61 49.022 -9.587 38.633 1.00 1.00 C ATOM 922 C HIS A 61 48.536 -8.143 38.565 1.00 1.00 C ATOM 923 O HIS A 61 49.311 -7.208 38.766 1.00 1.00 O ATOM 924 CB HIS A 61 50.273 -9.667 39.510 1.00 1.00 C ATOM 925 CG HIS A 61 49.901 -9.389 40.940 1.00 1.00 C ATOM 926 ND1 HIS A 61 50.828 -9.448 41.968 1.00 1.00 N ATOM 927 CD2 HIS A 61 48.709 -9.051 41.529 1.00 1.00 C ATOM 928 CE1 HIS A 61 50.184 -9.152 43.113 1.00 1.00 C ATOM 929 NE2 HIS A 61 48.889 -8.902 42.901 1.00 1.00 N ATOM 0 H HIS A 61 50.233 -9.827 36.935 1.00 1.00 H new ATOM 0 HA HIS A 61 48.235 -10.203 39.068 1.00 1.00 H new ATOM 0 HB2 HIS A 61 50.726 -10.655 39.426 1.00 1.00 H new ATOM 0 HB3 HIS A 61 51.016 -8.946 39.169 1.00 1.00 H new ATOM 0 HD2 HIS A 61 47.773 -8.920 41.007 1.00 1.00 H new ATOM 0 HE1 HIS A 61 50.657 -9.121 44.084 1.00 1.00 H new ATOM 0 HE2 HIS A 61 48.184 -8.655 43.595 1.00 1.00 H new ATOM 937 N HIS A 62 47.250 -7.969 38.281 1.00 1.00 N ATOM 938 CA HIS A 62 46.672 -6.633 38.190 1.00 1.00 C ATOM 939 C HIS A 62 47.144 -5.764 39.351 1.00 1.00 C ATOM 940 O HIS A 62 47.447 -4.584 39.173 1.00 1.00 O ATOM 941 CB HIS A 62 45.145 -6.722 38.205 1.00 1.00 C ATOM 942 CG HIS A 62 44.616 -6.490 36.816 1.00 1.00 C ATOM 943 ND1 HIS A 62 44.419 -5.217 36.303 1.00 1.00 N ATOM 944 CD2 HIS A 62 44.236 -7.357 35.821 1.00 1.00 C ATOM 945 CE1 HIS A 62 43.942 -5.353 35.052 1.00 1.00 C ATOM 946 NE2 HIS A 62 43.811 -6.637 34.709 1.00 1.00 N ATOM 0 H HIS A 62 46.592 -8.730 38.111 1.00 1.00 H new ATOM 0 HA HIS A 62 47.000 -6.179 37.255 1.00 1.00 H new ATOM 0 HB2 HIS A 62 44.831 -7.701 38.567 1.00 1.00 H new ATOM 0 HB3 HIS A 62 44.734 -5.982 38.891 1.00 1.00 H new ATOM 0 HD1 HIS A 62 44.602 -4.337 36.786 1.00 1.00 H new ATOM 0 HD2 HIS A 62 44.263 -8.434 35.891 1.00 1.00 H new ATOM 0 HE1 HIS A 62 43.695 -4.525 34.404 1.00 1.00 H new ATOM 954 N HIS A 63 47.205 -6.356 40.539 1.00 1.00 N ATOM 955 CA HIS A 63 47.641 -5.625 41.724 1.00 1.00 C ATOM 956 C HIS A 63 49.156 -5.719 41.883 1.00 1.00 C ATOM 957 O HIS A 63 49.659 -6.542 42.649 1.00 1.00 O ATOM 958 CB HIS A 63 46.960 -6.195 42.969 1.00 1.00 C ATOM 959 CG HIS A 63 45.728 -5.389 43.279 1.00 1.00 C ATOM 960 ND1 HIS A 63 45.782 -4.032 43.554 1.00 1.00 N ATOM 961 CD2 HIS A 63 44.402 -5.735 43.360 1.00 1.00 C ATOM 962 CE1 HIS A 63 44.524 -3.614 43.787 1.00 1.00 C ATOM 963 NE2 HIS A 63 43.643 -4.612 43.681 1.00 1.00 N ATOM 0 H HIS A 63 46.960 -7.332 40.707 1.00 1.00 H new ATOM 0 HA HIS A 63 47.363 -4.578 41.605 1.00 1.00 H new ATOM 0 HB2 HIS A 63 46.693 -7.239 42.805 1.00 1.00 H new ATOM 0 HB3 HIS A 63 47.646 -6.171 43.816 1.00 1.00 H new ATOM 0 HD2 HIS A 63 44.007 -6.727 43.199 1.00 1.00 H new ATOM 0 HE1 HIS A 63 44.259 -2.596 44.030 1.00 1.00 H new ATOM 0 HE2 HIS A 63 42.632 -4.563 43.808 1.00 1.00 H new ATOM 971 N HIS A 64 49.876 -4.872 41.155 1.00 1.00 N ATOM 972 CA HIS A 64 51.333 -4.870 41.224 1.00 1.00 C ATOM 973 C HIS A 64 51.802 -4.495 42.625 1.00 1.00 C ATOM 974 O HIS A 64 51.218 -4.987 43.576 1.00 1.00 O ATOM 975 CB HIS A 64 51.901 -3.874 40.210 1.00 1.00 C ATOM 976 CG HIS A 64 53.384 -4.088 40.074 1.00 1.00 C ATOM 977 ND1 HIS A 64 54.308 -3.132 40.463 1.00 1.00 N ATOM 978 CD2 HIS A 64 54.118 -5.145 39.593 1.00 1.00 C ATOM 979 CE1 HIS A 64 55.534 -3.626 40.213 1.00 1.00 C ATOM 980 NE2 HIS A 64 55.475 -4.851 39.682 1.00 1.00 N ATOM 981 OXT HIS A 64 52.740 -3.721 42.728 1.00 1.00 O ATOM 0 H HIS A 64 49.479 -4.184 40.516 1.00 1.00 H new ATOM 0 HA HIS A 64 51.691 -5.872 40.990 1.00 1.00 H new ATOM 0 HB2 HIS A 64 51.414 -4.005 39.244 1.00 1.00 H new ATOM 0 HB3 HIS A 64 51.698 -2.853 40.534 1.00 1.00 H new ATOM 0 HD2 HIS A 64 53.705 -6.064 39.205 1.00 1.00 H new ATOM 0 HE1 HIS A 64 56.454 -3.097 40.417 1.00 1.00 H new ATOM 0 HE2 HIS A 64 56.257 -5.443 39.402 1.00 1.00 H new TER 989 HIS A 64