USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 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= -6.01! C(o=-6.2!,f=-7.7!) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.208 X(o=-6.2,f=-6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0691 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.12! C(o=-2.1!,f=-4.6!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.1) USER MOD Single : A 16 GLN :FLIP amide:sc= -3.49! C(o=-12!,f=-3.5!) USER MOD Single : A 17 SER OG : rot -84:sc= 0.951 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.537 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -61:sc= 0.594 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -2.2! (180deg=-4.02!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -171:sc=-0.00207 (180deg=-0.0651) USER MOD Single : A 43 THR OG1 : rot -150:sc= 0.512 USER MOD Single : A 44 THR OG1 : rot 65:sc= 1.15 USER MOD Single : A 46 ASN : amide:sc= 0.259 K(o=0.26,f=-1.2) 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= -0.268 X(o=-0.27,f=-0.0068) USER MOD Single : A 61 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-5.2!) USER MOD Single : A 63 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.012) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.716 F(o=-1.5!,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 64.059 -36.991 -47.641 1.00 1.00 N ATOM 2 CA MET A 1 62.651 -36.643 -47.302 1.00 1.00 C ATOM 3 C MET A 1 62.500 -35.126 -47.261 1.00 1.00 C ATOM 4 O MET A 1 63.442 -34.390 -47.559 1.00 1.00 O ATOM 5 CB MET A 1 62.295 -37.239 -45.938 1.00 1.00 C ATOM 6 CG MET A 1 60.873 -37.800 -45.981 1.00 1.00 C ATOM 7 SD MET A 1 60.319 -38.169 -44.298 1.00 1.00 S ATOM 8 CE MET A 1 58.901 -39.201 -44.747 1.00 1.00 C ATOM 0 H1 MET A 1 64.067 -37.732 -48.371 1.00 1.00 H new ATOM 0 H2 MET A 1 64.549 -36.146 -48.000 1.00 1.00 H new ATOM 0 H3 MET A 1 64.545 -37.338 -46.790 1.00 1.00 H new ATOM 0 HA MET A 1 61.979 -37.050 -48.058 1.00 1.00 H new ATOM 0 HB2 MET A 1 63.001 -38.028 -45.679 1.00 1.00 H new ATOM 0 HB3 MET A 1 62.373 -36.475 -45.164 1.00 1.00 H new ATOM 0 HG2 MET A 1 60.200 -37.080 -46.447 1.00 1.00 H new ATOM 0 HG3 MET A 1 60.845 -38.703 -46.591 1.00 1.00 H new ATOM 0 HE1 MET A 1 58.401 -39.546 -43.842 1.00 1.00 H new ATOM 0 HE2 MET A 1 58.203 -38.618 -45.348 1.00 1.00 H new ATOM 0 HE3 MET A 1 59.244 -40.061 -45.322 1.00 1.00 H new ATOM 20 N GLU A 2 61.310 -34.664 -46.892 1.00 1.00 N ATOM 21 CA GLU A 2 61.047 -33.231 -46.817 1.00 1.00 C ATOM 22 C GLU A 2 60.241 -32.899 -45.566 1.00 1.00 C ATOM 23 O GLU A 2 59.161 -32.314 -45.649 1.00 1.00 O ATOM 24 CB GLU A 2 60.278 -32.775 -48.058 1.00 1.00 C ATOM 25 CG GLU A 2 61.075 -33.134 -49.314 1.00 1.00 C ATOM 26 CD GLU A 2 60.726 -34.548 -49.766 1.00 1.00 C ATOM 27 OE1 GLU A 2 60.178 -35.286 -48.966 1.00 1.00 O ATOM 28 OE2 GLU A 2 61.013 -34.870 -50.908 1.00 1.00 O ATOM 0 H GLU A 2 60.518 -35.256 -46.642 1.00 1.00 H new ATOM 0 HA GLU A 2 62.002 -32.708 -46.770 1.00 1.00 H new ATOM 0 HB2 GLU A 2 59.298 -33.252 -48.087 1.00 1.00 H new ATOM 0 HB3 GLU A 2 60.107 -31.699 -48.018 1.00 1.00 H new ATOM 0 HG2 GLU A 2 60.854 -32.424 -50.111 1.00 1.00 H new ATOM 0 HG3 GLU A 2 62.143 -33.062 -49.110 1.00 1.00 H new ATOM 35 N GLU A 3 60.773 -33.277 -44.408 1.00 1.00 N ATOM 36 CA GLU A 3 60.093 -33.014 -43.144 1.00 1.00 C ATOM 37 C GLU A 3 60.349 -31.581 -42.686 1.00 1.00 C ATOM 38 O GLU A 3 59.467 -30.930 -42.129 1.00 1.00 O ATOM 39 CB GLU A 3 60.584 -33.990 -42.074 1.00 1.00 C ATOM 40 CG GLU A 3 59.534 -34.105 -40.967 1.00 1.00 C ATOM 41 CD GLU A 3 60.179 -34.634 -39.690 1.00 1.00 C ATOM 42 OE1 GLU A 3 61.270 -34.192 -39.375 1.00 1.00 O ATOM 43 OE2 GLU A 3 59.571 -35.474 -39.047 1.00 1.00 O ATOM 0 H GLU A 3 61.666 -33.763 -44.318 1.00 1.00 H new ATOM 0 HA GLU A 3 59.022 -33.149 -43.294 1.00 1.00 H new ATOM 0 HB2 GLU A 3 60.769 -34.969 -42.517 1.00 1.00 H new ATOM 0 HB3 GLU A 3 61.530 -33.644 -41.658 1.00 1.00 H new ATOM 0 HG2 GLU A 3 59.083 -33.131 -40.780 1.00 1.00 H new ATOM 0 HG3 GLU A 3 58.732 -34.772 -41.283 1.00 1.00 H new ATOM 50 N GLY A 4 61.564 -31.098 -42.925 1.00 1.00 N ATOM 51 CA GLY A 4 61.926 -29.741 -42.534 1.00 1.00 C ATOM 52 C GLY A 4 62.946 -29.148 -43.500 1.00 1.00 C ATOM 53 O GLY A 4 64.089 -28.885 -43.127 1.00 1.00 O ATOM 0 H GLY A 4 62.309 -31.622 -43.384 1.00 1.00 H new ATOM 0 HA2 GLY A 4 61.034 -29.115 -42.512 1.00 1.00 H new ATOM 0 HA3 GLY A 4 62.337 -29.747 -41.524 1.00 1.00 H new ATOM 57 N GLY A 5 62.524 -28.942 -44.743 1.00 1.00 N ATOM 58 CA GLY A 5 63.409 -28.381 -45.756 1.00 1.00 C ATOM 59 C GLY A 5 64.077 -27.106 -45.251 1.00 1.00 C ATOM 60 O GLY A 5 63.556 -26.006 -45.434 1.00 1.00 O ATOM 0 H GLY A 5 61.582 -29.153 -45.071 1.00 1.00 H new ATOM 0 HA2 GLY A 5 64.170 -29.113 -46.025 1.00 1.00 H new ATOM 0 HA3 GLY A 5 62.841 -28.165 -46.661 1.00 1.00 H new ATOM 64 N ASP A 6 65.232 -27.262 -44.613 1.00 1.00 N ATOM 65 CA ASP A 6 65.963 -26.116 -44.085 1.00 1.00 C ATOM 66 C ASP A 6 65.265 -25.558 -42.850 1.00 1.00 C ATOM 67 O ASP A 6 65.227 -24.345 -42.641 1.00 1.00 O ATOM 68 CB ASP A 6 66.065 -25.026 -45.153 1.00 1.00 C ATOM 69 CG ASP A 6 67.366 -24.249 -44.983 1.00 1.00 C ATOM 70 OD1 ASP A 6 68.403 -24.783 -45.337 1.00 1.00 O ATOM 71 OD2 ASP A 6 67.306 -23.129 -44.500 1.00 1.00 O ATOM 0 H ASP A 6 65.680 -28.164 -44.450 1.00 1.00 H new ATOM 0 HA ASP A 6 66.964 -26.444 -43.804 1.00 1.00 H new ATOM 0 HB2 ASP A 6 66.026 -25.474 -46.146 1.00 1.00 H new ATOM 0 HB3 ASP A 6 65.215 -24.349 -45.075 1.00 1.00 H new ATOM 76 N PHE A 7 64.713 -26.450 -42.034 1.00 1.00 N ATOM 77 CA PHE A 7 64.017 -26.034 -40.821 1.00 1.00 C ATOM 78 C PHE A 7 64.186 -27.078 -39.722 1.00 1.00 C ATOM 79 O PHE A 7 63.239 -27.388 -39.000 1.00 1.00 O ATOM 80 CB PHE A 7 62.529 -25.835 -41.114 1.00 1.00 C ATOM 81 CG PHE A 7 62.351 -24.649 -42.032 1.00 1.00 C ATOM 82 CD1 PHE A 7 62.522 -23.350 -41.537 1.00 1.00 C ATOM 83 CD2 PHE A 7 62.014 -24.848 -43.376 1.00 1.00 C ATOM 84 CE1 PHE A 7 62.356 -22.250 -42.387 1.00 1.00 C ATOM 85 CE2 PHE A 7 61.848 -23.747 -44.225 1.00 1.00 C ATOM 86 CZ PHE A 7 62.019 -22.448 -43.732 1.00 1.00 C ATOM 0 H PHE A 7 64.733 -27.458 -42.188 1.00 1.00 H new ATOM 0 HA PHE A 7 64.449 -25.092 -40.482 1.00 1.00 H new ATOM 0 HB2 PHE A 7 62.115 -26.731 -41.576 1.00 1.00 H new ATOM 0 HB3 PHE A 7 61.983 -25.674 -40.185 1.00 1.00 H new ATOM 0 HD1 PHE A 7 62.782 -23.197 -40.500 1.00 1.00 H new ATOM 0 HD2 PHE A 7 61.882 -25.850 -43.758 1.00 1.00 H new ATOM 0 HE1 PHE A 7 62.488 -21.248 -42.005 1.00 1.00 H new ATOM 0 HE2 PHE A 7 61.588 -23.900 -45.262 1.00 1.00 H new ATOM 0 HZ PHE A 7 61.891 -21.600 -44.388 1.00 1.00 H new ATOM 96 N ASP A 8 65.400 -27.612 -39.605 1.00 1.00 N ATOM 97 CA ASP A 8 65.693 -28.622 -38.591 1.00 1.00 C ATOM 98 C ASP A 8 66.825 -28.155 -37.682 1.00 1.00 C ATOM 99 O ASP A 8 67.709 -28.935 -37.325 1.00 1.00 O ATOM 100 CB ASP A 8 66.086 -29.937 -39.266 1.00 1.00 C ATOM 101 CG ASP A 8 67.521 -29.853 -39.775 1.00 1.00 C ATOM 102 OD1 ASP A 8 67.956 -28.755 -40.082 1.00 1.00 O ATOM 103 OD2 ASP A 8 68.164 -30.887 -39.850 1.00 1.00 O ATOM 0 H ASP A 8 66.193 -27.364 -40.197 1.00 1.00 H new ATOM 0 HA ASP A 8 64.799 -28.776 -37.987 1.00 1.00 H new ATOM 0 HB2 ASP A 8 65.990 -30.761 -38.559 1.00 1.00 H new ATOM 0 HB3 ASP A 8 65.409 -30.147 -40.094 1.00 1.00 H new ATOM 108 N ASN A 9 66.793 -26.879 -37.313 1.00 1.00 N ATOM 109 CA ASN A 9 67.822 -26.318 -36.445 1.00 1.00 C ATOM 110 C ASN A 9 67.201 -25.392 -35.406 1.00 1.00 C ATOM 111 O ASN A 9 66.357 -25.810 -34.612 1.00 1.00 O ATOM 112 CB ASN A 9 68.842 -25.541 -37.280 1.00 1.00 C ATOM 113 CG ASN A 9 70.013 -25.112 -36.406 1.00 1.00 C ATOM 114 OD1 ASN A 9 70.083 -25.482 -35.234 1.00 1.00 O ATOM 115 ND2 ASN A 9 70.945 -24.348 -36.907 1.00 1.00 N ATOM 0 H ASN A 9 66.071 -26.218 -37.599 1.00 1.00 H new ATOM 0 HA ASN A 9 68.323 -27.138 -35.930 1.00 1.00 H new ATOM 0 HB2 ASN A 9 69.199 -26.161 -38.102 1.00 1.00 H new ATOM 0 HB3 ASN A 9 68.369 -24.665 -37.724 1.00 1.00 H new ATOM 0 HD21 ASN A 9 71.732 -24.057 -36.327 1.00 1.00 H new ATOM 0 HD22 ASN A 9 70.886 -24.042 -37.878 1.00 1.00 H new ATOM 122 N TYR A 10 67.623 -24.132 -35.415 1.00 1.00 N ATOM 123 CA TYR A 10 67.101 -23.153 -34.468 1.00 1.00 C ATOM 124 C TYR A 10 65.578 -23.225 -34.410 1.00 1.00 C ATOM 125 O TYR A 10 64.962 -22.757 -33.452 1.00 1.00 O ATOM 126 CB TYR A 10 67.533 -21.745 -34.879 1.00 1.00 C ATOM 127 CG TYR A 10 66.338 -20.822 -34.847 1.00 1.00 C ATOM 128 CD1 TYR A 10 65.468 -20.763 -35.944 1.00 1.00 C ATOM 129 CD2 TYR A 10 66.100 -20.025 -33.721 1.00 1.00 C ATOM 130 CE1 TYR A 10 64.361 -19.908 -35.914 1.00 1.00 C ATOM 131 CE2 TYR A 10 64.991 -19.169 -33.692 1.00 1.00 C ATOM 132 CZ TYR A 10 64.123 -19.111 -34.788 1.00 1.00 C ATOM 133 OH TYR A 10 63.031 -18.268 -34.758 1.00 1.00 O ATOM 0 H TYR A 10 68.321 -23.766 -36.063 1.00 1.00 H new ATOM 0 HA TYR A 10 67.503 -23.380 -33.480 1.00 1.00 H new ATOM 0 HB2 TYR A 10 68.307 -21.379 -34.204 1.00 1.00 H new ATOM 0 HB3 TYR A 10 67.965 -21.763 -35.879 1.00 1.00 H new ATOM 0 HD1 TYR A 10 65.652 -21.378 -36.813 1.00 1.00 H new ATOM 0 HD2 TYR A 10 66.770 -20.070 -32.876 1.00 1.00 H new ATOM 0 HE1 TYR A 10 63.690 -19.863 -36.759 1.00 1.00 H new ATOM 0 HE2 TYR A 10 64.806 -18.554 -32.824 1.00 1.00 H new ATOM 0 HH TYR A 10 63.012 -17.787 -33.904 1.00 1.00 H new ATOM 143 N TYR A 11 64.978 -23.812 -35.439 1.00 1.00 N ATOM 144 CA TYR A 11 63.526 -23.938 -35.494 1.00 1.00 C ATOM 145 C TYR A 11 63.044 -25.009 -34.522 1.00 1.00 C ATOM 146 O TYR A 11 62.376 -25.965 -34.917 1.00 1.00 O ATOM 147 CB TYR A 11 63.087 -24.300 -36.915 1.00 1.00 C ATOM 148 CG TYR A 11 63.375 -23.142 -37.841 1.00 1.00 C ATOM 149 CD1 TYR A 11 62.417 -22.139 -38.026 1.00 1.00 C ATOM 150 CD2 TYR A 11 64.600 -23.073 -38.515 1.00 1.00 C ATOM 151 CE1 TYR A 11 62.684 -21.065 -38.885 1.00 1.00 C ATOM 152 CE2 TYR A 11 64.868 -22.000 -39.373 1.00 1.00 C ATOM 153 CZ TYR A 11 63.909 -20.996 -39.558 1.00 1.00 C ATOM 154 OH TYR A 11 64.173 -19.938 -40.404 1.00 1.00 O ATOM 0 H TYR A 11 65.470 -24.206 -36.241 1.00 1.00 H new ATOM 0 HA TYR A 11 63.086 -22.982 -35.210 1.00 1.00 H new ATOM 0 HB2 TYR A 11 63.615 -25.191 -37.254 1.00 1.00 H new ATOM 0 HB3 TYR A 11 62.023 -24.535 -36.930 1.00 1.00 H new ATOM 0 HD1 TYR A 11 61.472 -22.193 -37.507 1.00 1.00 H new ATOM 0 HD2 TYR A 11 65.339 -23.848 -38.373 1.00 1.00 H new ATOM 0 HE1 TYR A 11 61.945 -20.291 -39.028 1.00 1.00 H new ATOM 0 HE2 TYR A 11 65.814 -21.946 -39.892 1.00 1.00 H new ATOM 0 HH TYR A 11 65.068 -20.043 -40.790 1.00 1.00 H new ATOM 164 N GLY A 12 63.388 -24.843 -33.249 1.00 1.00 N ATOM 165 CA GLY A 12 62.984 -25.803 -32.229 1.00 1.00 C ATOM 166 C GLY A 12 63.092 -25.194 -30.835 1.00 1.00 C ATOM 167 O GLY A 12 62.087 -25.002 -30.151 1.00 1.00 O ATOM 0 H GLY A 12 63.941 -24.060 -32.901 1.00 1.00 H new ATOM 0 HA2 GLY A 12 61.958 -26.124 -32.412 1.00 1.00 H new ATOM 0 HA3 GLY A 12 63.612 -26.692 -32.292 1.00 1.00 H new ATOM 171 N ALA A 13 64.319 -24.893 -30.420 1.00 1.00 N ATOM 172 CA ALA A 13 64.548 -24.304 -29.106 1.00 1.00 C ATOM 173 C ALA A 13 66.011 -23.902 -28.948 1.00 1.00 C ATOM 174 O ALA A 13 66.809 -24.639 -28.368 1.00 1.00 O ATOM 175 CB ALA A 13 64.172 -25.306 -28.012 1.00 1.00 C ATOM 0 H ALA A 13 65.164 -25.046 -30.970 1.00 1.00 H new ATOM 0 HA ALA A 13 63.925 -23.414 -29.013 1.00 1.00 H new ATOM 0 HB1 ALA A 13 64.346 -24.859 -27.033 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.119 -25.571 -28.108 1.00 1.00 H new ATOM 0 HB3 ALA A 13 64.783 -26.203 -28.115 1.00 1.00 H new ATOM 181 N ASP A 14 66.355 -22.729 -29.468 1.00 1.00 N ATOM 182 CA ASP A 14 67.725 -22.238 -29.380 1.00 1.00 C ATOM 183 C ASP A 14 67.851 -21.197 -28.271 1.00 1.00 C ATOM 184 O ASP A 14 68.666 -20.279 -28.358 1.00 1.00 O ATOM 185 CB ASP A 14 68.143 -21.617 -30.714 1.00 1.00 C ATOM 186 CG ASP A 14 69.634 -21.835 -30.947 1.00 1.00 C ATOM 187 OD1 ASP A 14 70.027 -22.979 -31.109 1.00 1.00 O ATOM 188 OD2 ASP A 14 70.362 -20.856 -30.959 1.00 1.00 O ATOM 0 H ASP A 14 65.709 -22.105 -29.951 1.00 1.00 H new ATOM 0 HA ASP A 14 68.379 -23.079 -29.150 1.00 1.00 H new ATOM 0 HB2 ASP A 14 67.571 -22.063 -31.527 1.00 1.00 H new ATOM 0 HB3 ASP A 14 67.919 -20.550 -30.714 1.00 1.00 H new ATOM 193 N ASN A 15 67.038 -21.346 -27.231 1.00 1.00 N ATOM 194 CA ASN A 15 67.067 -20.413 -26.111 1.00 1.00 C ATOM 195 C ASN A 15 66.780 -18.993 -26.591 1.00 1.00 C ATOM 196 O ASN A 15 67.694 -18.183 -26.742 1.00 1.00 O ATOM 197 CB ASN A 15 68.436 -20.458 -25.430 1.00 1.00 C ATOM 198 CG ASN A 15 68.912 -21.902 -25.313 1.00 1.00 C ATOM 199 OD1 ASN A 15 68.097 -22.815 -25.178 1.00 1.00 O ATOM 200 ND2 ASN A 15 70.190 -22.164 -25.356 1.00 1.00 N ATOM 0 H ASN A 15 66.355 -22.098 -27.140 1.00 1.00 H new ATOM 0 HA ASN A 15 66.297 -20.706 -25.397 1.00 1.00 H new ATOM 0 HB2 ASN A 15 69.156 -19.874 -26.003 1.00 1.00 H new ATOM 0 HB3 ASN A 15 68.374 -20.005 -24.440 1.00 1.00 H new ATOM 0 HD21 ASN A 15 70.516 -23.127 -25.278 1.00 1.00 H new ATOM 0 HD22 ASN A 15 70.863 -21.405 -25.468 1.00 1.00 H new ATOM 207 N GLN A 16 65.507 -18.702 -26.831 1.00 1.00 N ATOM 208 CA GLN A 16 65.110 -17.378 -27.295 1.00 1.00 C ATOM 209 C GLN A 16 64.869 -16.444 -26.113 1.00 1.00 C ATOM 210 O GLN A 16 63.776 -15.899 -25.954 1.00 1.00 O ATOM 211 CB GLN A 16 63.835 -17.478 -28.136 1.00 1.00 C ATOM 212 CG GLN A 16 64.164 -18.111 -29.490 1.00 1.00 C ATOM 213 CD GLN A 16 64.633 -19.548 -29.294 1.00 1.00 C ATOM 214 OE1 GLN A 16 65.871 -19.864 -29.562 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 63.852 -20.407 -28.884 1.00 1.00 N flip ATOM 0 H GLN A 16 64.737 -19.360 -26.713 1.00 1.00 H new ATOM 0 HA GLN A 16 65.917 -16.972 -27.905 1.00 1.00 H new ATOM 0 HB2 GLN A 16 63.089 -18.077 -27.614 1.00 1.00 H new ATOM 0 HB3 GLN A 16 63.404 -16.487 -28.281 1.00 1.00 H new ATOM 0 HG2 GLN A 16 63.284 -18.092 -30.133 1.00 1.00 H new ATOM 0 HG3 GLN A 16 64.939 -17.532 -29.993 1.00 1.00 H new ATOM 0 HE21 GLN A 16 62.885 -20.159 -28.675 1.00 1.00 H new ATOM 0 HE22 GLN A 16 64.172 -21.367 -28.753 1.00 1.00 H new ATOM 224 N SER A 17 65.896 -16.267 -25.287 1.00 1.00 N ATOM 225 CA SER A 17 65.789 -15.399 -24.119 1.00 1.00 C ATOM 226 C SER A 17 65.084 -16.126 -22.980 1.00 1.00 C ATOM 227 O SER A 17 65.206 -15.743 -21.816 1.00 1.00 O ATOM 228 CB SER A 17 65.014 -14.130 -24.476 1.00 1.00 C ATOM 229 OG SER A 17 63.635 -14.326 -24.188 1.00 1.00 O ATOM 0 H SER A 17 66.807 -16.710 -25.404 1.00 1.00 H new ATOM 0 HA SER A 17 66.794 -15.127 -23.797 1.00 1.00 H new ATOM 0 HB2 SER A 17 65.399 -13.283 -23.909 1.00 1.00 H new ATOM 0 HB3 SER A 17 65.147 -13.893 -25.532 1.00 1.00 H new ATOM 0 HG SER A 17 63.205 -14.782 -24.941 1.00 1.00 H new ATOM 235 N GLU A 18 64.354 -17.181 -23.324 1.00 1.00 N ATOM 236 CA GLU A 18 63.637 -17.961 -22.324 1.00 1.00 C ATOM 237 C GLU A 18 62.987 -17.044 -21.291 1.00 1.00 C ATOM 238 O GLU A 18 62.862 -15.840 -21.508 1.00 1.00 O ATOM 239 CB GLU A 18 64.605 -18.918 -21.627 1.00 1.00 C ATOM 240 CG GLU A 18 64.048 -20.341 -21.685 1.00 1.00 C ATOM 241 CD GLU A 18 64.087 -20.860 -23.118 1.00 1.00 C ATOM 242 OE1 GLU A 18 65.089 -21.448 -23.487 1.00 1.00 O ATOM 243 OE2 GLU A 18 63.113 -20.662 -23.826 1.00 1.00 O ATOM 0 H GLU A 18 64.244 -17.514 -24.282 1.00 1.00 H new ATOM 0 HA GLU A 18 62.854 -18.532 -22.823 1.00 1.00 H new ATOM 0 HB2 GLU A 18 65.582 -18.879 -22.109 1.00 1.00 H new ATOM 0 HB3 GLU A 18 64.749 -18.615 -20.590 1.00 1.00 H new ATOM 0 HG2 GLU A 18 64.631 -20.995 -21.037 1.00 1.00 H new ATOM 0 HG3 GLU A 18 63.024 -20.355 -21.313 1.00 1.00 H new ATOM 250 N CYS A 19 62.575 -17.625 -20.169 1.00 1.00 N ATOM 251 CA CYS A 19 61.938 -16.851 -19.110 1.00 1.00 C ATOM 252 C CYS A 19 60.493 -16.526 -19.477 1.00 1.00 C ATOM 253 O CYS A 19 59.802 -15.815 -18.747 1.00 1.00 O ATOM 254 CB CYS A 19 62.711 -15.552 -18.875 1.00 1.00 C ATOM 255 SG CYS A 19 62.654 -15.125 -17.117 1.00 1.00 S ATOM 0 H CYS A 19 62.670 -18.621 -19.970 1.00 1.00 H new ATOM 0 HA CYS A 19 61.943 -17.447 -18.198 1.00 1.00 H new ATOM 0 HB2 CYS A 19 63.745 -15.668 -19.199 1.00 1.00 H new ATOM 0 HB3 CYS A 19 62.280 -14.747 -19.470 1.00 1.00 H new ATOM 0 HG CYS A 19 63.313 -14.022 -16.917 1.00 1.00 H new ATOM 261 N GLU A 20 60.044 -17.050 -20.613 1.00 1.00 N ATOM 262 CA GLU A 20 58.680 -16.810 -21.067 1.00 1.00 C ATOM 263 C GLU A 20 57.778 -17.985 -20.703 1.00 1.00 C ATOM 264 O GLU A 20 56.721 -18.177 -21.304 1.00 1.00 O ATOM 265 CB GLU A 20 58.663 -16.601 -22.582 1.00 1.00 C ATOM 266 CG GLU A 20 57.414 -15.811 -22.976 1.00 1.00 C ATOM 267 CD GLU A 20 56.932 -16.251 -24.354 1.00 1.00 C ATOM 268 OE1 GLU A 20 57.750 -16.309 -25.256 1.00 1.00 O ATOM 269 OE2 GLU A 20 55.750 -16.527 -24.486 1.00 1.00 O ATOM 0 H GLU A 20 60.601 -17.639 -21.232 1.00 1.00 H new ATOM 0 HA GLU A 20 58.306 -15.914 -20.573 1.00 1.00 H new ATOM 0 HB2 GLU A 20 59.559 -16.065 -22.896 1.00 1.00 H new ATOM 0 HB3 GLU A 20 58.673 -17.564 -23.092 1.00 1.00 H new ATOM 0 HG2 GLU A 20 56.627 -15.968 -22.239 1.00 1.00 H new ATOM 0 HG3 GLU A 20 57.636 -14.744 -22.983 1.00 1.00 H new ATOM 276 N TYR A 21 58.203 -18.769 -19.717 1.00 1.00 N ATOM 277 CA TYR A 21 57.425 -19.923 -19.283 1.00 1.00 C ATOM 278 C TYR A 21 56.348 -19.500 -18.288 1.00 1.00 C ATOM 279 O TYR A 21 55.867 -20.311 -17.497 1.00 1.00 O ATOM 280 CB TYR A 21 58.344 -20.958 -18.632 1.00 1.00 C ATOM 281 CG TYR A 21 58.099 -22.311 -19.256 1.00 1.00 C ATOM 282 CD1 TYR A 21 58.593 -22.592 -20.536 1.00 1.00 C ATOM 283 CD2 TYR A 21 57.380 -23.285 -18.554 1.00 1.00 C ATOM 284 CE1 TYR A 21 58.365 -23.846 -21.114 1.00 1.00 C ATOM 285 CE2 TYR A 21 57.152 -24.539 -19.132 1.00 1.00 C ATOM 286 CZ TYR A 21 57.645 -24.820 -20.411 1.00 1.00 C ATOM 287 OH TYR A 21 57.420 -26.057 -20.982 1.00 1.00 O ATOM 0 H TYR A 21 59.075 -18.628 -19.207 1.00 1.00 H new ATOM 0 HA TYR A 21 56.944 -20.362 -20.157 1.00 1.00 H new ATOM 0 HB2 TYR A 21 59.387 -20.668 -18.763 1.00 1.00 H new ATOM 0 HB3 TYR A 21 58.158 -21.001 -17.559 1.00 1.00 H new ATOM 0 HD1 TYR A 21 59.150 -21.841 -21.077 1.00 1.00 H new ATOM 0 HD2 TYR A 21 57.001 -23.069 -17.566 1.00 1.00 H new ATOM 0 HE1 TYR A 21 58.744 -24.063 -22.102 1.00 1.00 H new ATOM 0 HE2 TYR A 21 56.595 -25.290 -18.591 1.00 1.00 H new ATOM 0 HH TYR A 21 56.906 -26.615 -20.362 1.00 1.00 H new ATOM 297 N THR A 22 55.974 -18.225 -18.336 1.00 1.00 N ATOM 298 CA THR A 22 54.953 -17.705 -17.434 1.00 1.00 C ATOM 299 C THR A 22 55.411 -17.818 -15.984 1.00 1.00 C ATOM 300 O THR A 22 54.630 -18.178 -15.102 1.00 1.00 O ATOM 301 CB THR A 22 53.647 -18.480 -17.622 1.00 1.00 C ATOM 302 OG1 THR A 22 53.679 -19.656 -16.826 1.00 1.00 O ATOM 303 CG2 THR A 22 53.484 -18.861 -19.094 1.00 1.00 C ATOM 0 H THR A 22 56.359 -17.538 -18.984 1.00 1.00 H new ATOM 0 HA THR A 22 54.788 -16.654 -17.669 1.00 1.00 H new ATOM 0 HB THR A 22 52.806 -17.857 -17.317 1.00 1.00 H new ATOM 0 HG1 THR A 22 54.424 -20.224 -17.112 1.00 1.00 H new ATOM 0 HG21 THR A 22 52.553 -19.413 -19.226 1.00 1.00 H new ATOM 0 HG22 THR A 22 53.460 -17.957 -19.703 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.323 -19.485 -19.403 1.00 1.00 H new ATOM 311 N ASP A 23 56.681 -17.508 -15.743 1.00 1.00 N ATOM 312 CA ASP A 23 57.231 -17.579 -14.395 1.00 1.00 C ATOM 313 C ASP A 23 58.127 -16.375 -14.118 1.00 1.00 C ATOM 314 O ASP A 23 58.836 -16.335 -13.113 1.00 1.00 O ATOM 315 CB ASP A 23 58.039 -18.867 -14.227 1.00 1.00 C ATOM 316 CG ASP A 23 57.750 -19.491 -12.866 1.00 1.00 C ATOM 317 OD1 ASP A 23 57.652 -18.745 -11.904 1.00 1.00 O ATOM 318 OD2 ASP A 23 57.630 -20.703 -12.804 1.00 1.00 O ATOM 0 H ASP A 23 57.344 -17.208 -16.458 1.00 1.00 H new ATOM 0 HA ASP A 23 56.404 -17.574 -13.685 1.00 1.00 H new ATOM 0 HB2 ASP A 23 57.786 -19.571 -15.020 1.00 1.00 H new ATOM 0 HB3 ASP A 23 59.104 -18.653 -14.319 1.00 1.00 H new ATOM 323 N TRP A 24 58.087 -15.397 -15.016 1.00 1.00 N ATOM 324 CA TRP A 24 58.899 -14.196 -14.858 1.00 1.00 C ATOM 325 C TRP A 24 58.070 -13.062 -14.265 1.00 1.00 C ATOM 326 O TRP A 24 58.550 -11.937 -14.123 1.00 1.00 O ATOM 327 CB TRP A 24 59.463 -13.763 -16.214 1.00 1.00 C ATOM 328 CG TRP A 24 58.341 -13.330 -17.102 1.00 1.00 C ATOM 329 CD1 TRP A 24 57.449 -14.161 -17.689 1.00 1.00 C ATOM 330 CD2 TRP A 24 57.978 -11.981 -17.516 1.00 1.00 C ATOM 331 NE1 TRP A 24 56.561 -13.407 -18.437 1.00 1.00 N ATOM 332 CE2 TRP A 24 56.846 -12.058 -18.362 1.00 1.00 C ATOM 333 CE3 TRP A 24 58.515 -10.710 -17.243 1.00 1.00 C ATOM 334 CZ2 TRP A 24 56.267 -10.915 -18.915 1.00 1.00 C ATOM 335 CZ3 TRP A 24 57.935 -9.558 -17.798 1.00 1.00 C ATOM 336 CH2 TRP A 24 56.813 -9.661 -18.634 1.00 1.00 C ATOM 0 H TRP A 24 57.506 -15.411 -15.854 1.00 1.00 H new ATOM 0 HA TRP A 24 59.721 -14.424 -14.179 1.00 1.00 H new ATOM 0 HB2 TRP A 24 60.173 -12.946 -16.081 1.00 1.00 H new ATOM 0 HB3 TRP A 24 60.008 -14.587 -16.674 1.00 1.00 H new ATOM 0 HD1 TRP A 24 57.432 -15.236 -17.590 1.00 1.00 H new ATOM 0 HE1 TRP A 24 55.790 -13.800 -18.977 1.00 1.00 H new ATOM 0 HE3 TRP A 24 59.379 -10.620 -16.602 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 55.402 -11.000 -19.556 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 58.355 -8.587 -17.580 1.00 1.00 H new ATOM 0 HH2 TRP A 24 56.372 -8.772 -19.060 1.00 1.00 H new ATOM 347 N LYS A 25 56.822 -13.365 -13.922 1.00 1.00 N ATOM 348 CA LYS A 25 55.934 -12.361 -13.345 1.00 1.00 C ATOM 349 C LYS A 25 54.911 -13.017 -12.423 1.00 1.00 C ATOM 350 O LYS A 25 53.899 -12.411 -12.073 1.00 1.00 O ATOM 351 CB LYS A 25 55.210 -11.597 -14.455 1.00 1.00 C ATOM 352 CG LYS A 25 54.918 -12.537 -15.630 1.00 1.00 C ATOM 353 CD LYS A 25 54.113 -13.742 -15.137 1.00 1.00 C ATOM 354 CE LYS A 25 53.478 -14.455 -16.333 1.00 1.00 C ATOM 355 NZ LYS A 25 54.328 -14.254 -17.541 1.00 1.00 N ATOM 0 H LYS A 25 56.405 -14.289 -14.032 1.00 1.00 H new ATOM 0 HA LYS A 25 56.537 -11.664 -12.763 1.00 1.00 H new ATOM 0 HB2 LYS A 25 54.279 -11.178 -14.073 1.00 1.00 H new ATOM 0 HB3 LYS A 25 55.822 -10.760 -14.791 1.00 1.00 H new ATOM 0 HG2 LYS A 25 54.362 -12.007 -16.403 1.00 1.00 H new ATOM 0 HG3 LYS A 25 55.852 -12.871 -16.082 1.00 1.00 H new ATOM 0 HD2 LYS A 25 54.762 -14.429 -14.593 1.00 1.00 H new ATOM 0 HD3 LYS A 25 53.340 -13.416 -14.442 1.00 1.00 H new ATOM 0 HE2 LYS A 25 53.374 -15.519 -16.122 1.00 1.00 H new ATOM 0 HE3 LYS A 25 52.476 -14.066 -16.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 54.059 -14.942 -18.273 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 54.191 -13.290 -17.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 55.328 -14.390 -17.289 1.00 1.00 H new ATOM 369 N SER A 26 55.182 -14.258 -12.033 1.00 1.00 N ATOM 370 CA SER A 26 54.276 -14.986 -11.151 1.00 1.00 C ATOM 371 C SER A 26 54.764 -14.916 -9.707 1.00 1.00 C ATOM 372 O SER A 26 54.028 -14.497 -8.813 1.00 1.00 O ATOM 373 CB SER A 26 54.182 -16.447 -11.589 1.00 1.00 C ATOM 374 OG SER A 26 52.814 -16.833 -11.644 1.00 1.00 O ATOM 0 H SER A 26 56.015 -14.778 -12.311 1.00 1.00 H new ATOM 0 HA SER A 26 53.290 -14.525 -11.213 1.00 1.00 H new ATOM 0 HB2 SER A 26 54.648 -16.577 -12.566 1.00 1.00 H new ATOM 0 HB3 SER A 26 54.724 -17.084 -10.890 1.00 1.00 H new ATOM 0 HG SER A 26 52.749 -17.769 -11.926 1.00 1.00 H new ATOM 380 N SER A 27 56.008 -15.330 -9.487 1.00 1.00 N ATOM 381 CA SER A 27 56.582 -15.310 -8.146 1.00 1.00 C ATOM 382 C SER A 27 56.917 -13.883 -7.727 1.00 1.00 C ATOM 383 O SER A 27 58.057 -13.581 -7.370 1.00 1.00 O ATOM 384 CB SER A 27 57.849 -16.165 -8.108 1.00 1.00 C ATOM 385 OG SER A 27 57.557 -17.459 -8.618 1.00 1.00 O ATOM 0 H SER A 27 56.633 -15.680 -10.213 1.00 1.00 H new ATOM 0 HA SER A 27 55.847 -15.717 -7.451 1.00 1.00 H new ATOM 0 HB2 SER A 27 58.635 -15.697 -8.700 1.00 1.00 H new ATOM 0 HB3 SER A 27 58.221 -16.240 -7.086 1.00 1.00 H new ATOM 0 HG SER A 27 58.367 -18.010 -8.597 1.00 1.00 H new ATOM 391 N GLY A 28 55.918 -13.009 -7.773 1.00 1.00 N ATOM 392 CA GLY A 28 56.115 -11.614 -7.396 1.00 1.00 C ATOM 393 C GLY A 28 54.801 -10.844 -7.462 1.00 1.00 C ATOM 394 O GLY A 28 54.780 -9.661 -7.804 1.00 1.00 O ATOM 0 H GLY A 28 54.969 -13.240 -8.066 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.523 -11.560 -6.387 1.00 1.00 H new ATOM 0 HA3 GLY A 28 56.846 -11.153 -8.061 1.00 1.00 H new ATOM 398 N ALA A 29 53.707 -11.524 -7.134 1.00 1.00 N ATOM 399 CA ALA A 29 52.392 -10.895 -7.161 1.00 1.00 C ATOM 400 C ALA A 29 51.421 -11.646 -6.256 1.00 1.00 C ATOM 401 O ALA A 29 50.205 -11.493 -6.370 1.00 1.00 O ATOM 402 CB ALA A 29 51.850 -10.882 -8.592 1.00 1.00 C ATOM 0 H ALA A 29 53.704 -12.503 -6.848 1.00 1.00 H new ATOM 0 HA ALA A 29 52.491 -9.871 -6.800 1.00 1.00 H new ATOM 0 HB1 ALA A 29 50.867 -10.411 -8.605 1.00 1.00 H new ATOM 0 HB2 ALA A 29 52.530 -10.321 -9.233 1.00 1.00 H new ATOM 0 HB3 ALA A 29 51.766 -11.905 -8.959 1.00 1.00 H new ATOM 408 N LEU A 30 51.967 -12.460 -5.356 1.00 1.00 N ATOM 409 CA LEU A 30 51.140 -13.232 -4.435 1.00 1.00 C ATOM 410 C LEU A 30 51.714 -13.177 -3.022 1.00 1.00 C ATOM 411 O LEU A 30 51.001 -13.406 -2.045 1.00 1.00 O ATOM 412 CB LEU A 30 51.062 -14.689 -4.899 1.00 1.00 C ATOM 413 CG LEU A 30 50.492 -14.746 -6.317 1.00 1.00 C ATOM 414 CD1 LEU A 30 51.638 -14.881 -7.323 1.00 1.00 C ATOM 415 CD2 LEU A 30 49.561 -15.954 -6.443 1.00 1.00 C ATOM 0 H LEU A 30 52.971 -12.601 -5.246 1.00 1.00 H new ATOM 0 HA LEU A 30 50.140 -12.799 -4.425 1.00 1.00 H new ATOM 0 HB2 LEU A 30 52.053 -15.142 -4.876 1.00 1.00 H new ATOM 0 HB3 LEU A 30 50.433 -15.264 -4.220 1.00 1.00 H new ATOM 0 HG LEU A 30 49.934 -13.832 -6.521 1.00 1.00 H new ATOM 0 HD11 LEU A 30 51.232 -14.922 -8.334 1.00 1.00 H new ATOM 0 HD12 LEU A 30 52.304 -14.023 -7.234 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.195 -15.795 -7.119 1.00 1.00 H new ATOM 0 HD21 LEU A 30 49.154 -15.996 -7.453 1.00 1.00 H new ATOM 0 HD22 LEU A 30 50.120 -16.867 -6.239 1.00 1.00 H new ATOM 0 HD23 LEU A 30 48.745 -15.861 -5.727 1.00 1.00 H new ATOM 427 N ILE A 31 53.003 -12.872 -2.922 1.00 1.00 N ATOM 428 CA ILE A 31 53.657 -12.791 -1.621 1.00 1.00 C ATOM 429 C ILE A 31 53.292 -11.491 -0.894 1.00 1.00 C ATOM 430 O ILE A 31 53.155 -11.487 0.329 1.00 1.00 O ATOM 431 CB ILE A 31 55.182 -12.908 -1.789 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.585 -14.382 -1.699 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.903 -12.126 -0.686 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.824 -15.187 -2.755 1.00 1.00 C ATOM 0 H ILE A 31 53.611 -12.678 -3.718 1.00 1.00 H new ATOM 0 HA ILE A 31 53.304 -13.621 -1.010 1.00 1.00 H new ATOM 0 HB ILE A 31 55.463 -12.497 -2.759 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.659 -14.486 -1.852 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.366 -14.769 -0.704 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.981 -12.219 -0.819 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.620 -11.075 -0.741 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.622 -12.527 0.288 1.00 1.00 H new ATOM 0 HD11 ILE A 31 55.112 -16.236 -2.690 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.752 -15.093 -2.581 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.065 -14.805 -3.747 1.00 1.00 H new ATOM 446 N PRO A 32 53.134 -10.392 -1.599 1.00 1.00 N ATOM 447 CA PRO A 32 52.784 -9.091 -0.977 1.00 1.00 C ATOM 448 C PRO A 32 51.275 -8.896 -0.853 1.00 1.00 C ATOM 449 O PRO A 32 50.810 -7.840 -0.424 1.00 1.00 O ATOM 450 CB PRO A 32 53.390 -8.077 -1.943 1.00 1.00 C ATOM 451 CG PRO A 32 53.363 -8.736 -3.288 1.00 1.00 C ATOM 452 CD PRO A 32 53.269 -10.252 -3.058 1.00 1.00 C ATOM 0 HA PRO A 32 53.157 -9.002 0.043 1.00 1.00 H new ATOM 0 HB2 PRO A 32 52.816 -7.150 -1.949 1.00 1.00 H new ATOM 0 HB3 PRO A 32 54.409 -7.820 -1.653 1.00 1.00 H new ATOM 0 HG2 PRO A 32 52.512 -8.383 -3.871 1.00 1.00 H new ATOM 0 HG3 PRO A 32 54.261 -8.489 -3.854 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.413 -10.681 -3.579 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.157 -10.766 -3.426 1.00 1.00 H new ATOM 460 N ALA A 33 50.517 -9.919 -1.236 1.00 1.00 N ATOM 461 CA ALA A 33 49.062 -9.849 -1.167 1.00 1.00 C ATOM 462 C ALA A 33 48.537 -10.643 0.024 1.00 1.00 C ATOM 463 O ALA A 33 47.328 -10.786 0.203 1.00 1.00 O ATOM 464 CB ALA A 33 48.454 -10.401 -2.458 1.00 1.00 C ATOM 0 H ALA A 33 50.883 -10.801 -1.595 1.00 1.00 H new ATOM 0 HA ALA A 33 48.774 -8.805 -1.044 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.367 -10.346 -2.401 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.803 -9.811 -3.306 1.00 1.00 H new ATOM 0 HB3 ALA A 33 48.759 -11.439 -2.589 1.00 1.00 H new ATOM 470 N ILE A 34 49.455 -11.159 0.835 1.00 1.00 N ATOM 471 CA ILE A 34 49.072 -11.939 2.007 1.00 1.00 C ATOM 472 C ILE A 34 49.926 -11.553 3.209 1.00 1.00 C ATOM 473 O ILE A 34 49.450 -11.544 4.344 1.00 1.00 O ATOM 474 CB ILE A 34 49.237 -13.432 1.718 1.00 1.00 C ATOM 475 CG1 ILE A 34 48.695 -13.745 0.321 1.00 1.00 C ATOM 476 CG2 ILE A 34 48.462 -14.243 2.756 1.00 1.00 C ATOM 477 CD1 ILE A 34 48.805 -15.247 0.055 1.00 1.00 C ATOM 0 H ILE A 34 50.461 -11.053 0.704 1.00 1.00 H new ATOM 0 HA ILE A 34 48.027 -11.728 2.236 1.00 1.00 H new ATOM 0 HB ILE A 34 50.294 -13.695 1.767 1.00 1.00 H new ATOM 0 HG12 ILE A 34 47.656 -13.426 0.243 1.00 1.00 H new ATOM 0 HG13 ILE A 34 49.256 -13.190 -0.431 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.580 -15.307 2.549 1.00 1.00 H new ATOM 0 HG22 ILE A 34 48.847 -14.022 3.752 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.405 -13.980 2.709 1.00 1.00 H new ATOM 0 HD11 ILE A 34 48.419 -15.470 -0.940 1.00 1.00 H new ATOM 0 HD12 ILE A 34 49.850 -15.552 0.115 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.225 -15.792 0.800 1.00 1.00 H new ATOM 489 N TYR A 35 51.190 -11.237 2.952 1.00 1.00 N ATOM 490 CA TYR A 35 52.103 -10.852 4.021 1.00 1.00 C ATOM 491 C TYR A 35 51.998 -9.356 4.303 1.00 1.00 C ATOM 492 O TYR A 35 52.919 -8.751 4.850 1.00 1.00 O ATOM 493 CB TYR A 35 53.540 -11.202 3.629 1.00 1.00 C ATOM 494 CG TYR A 35 53.790 -12.667 3.901 1.00 1.00 C ATOM 495 CD1 TYR A 35 53.937 -13.118 5.219 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.874 -13.573 2.838 1.00 1.00 C ATOM 497 CE1 TYR A 35 54.167 -14.476 5.472 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.105 -14.930 3.090 1.00 1.00 C ATOM 499 CZ TYR A 35 54.251 -15.381 4.407 1.00 1.00 C ATOM 500 OH TYR A 35 54.478 -16.719 4.656 1.00 1.00 O ATOM 0 H TYR A 35 51.604 -11.240 2.020 1.00 1.00 H new ATOM 0 HA TYR A 35 51.829 -11.399 4.923 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.705 -10.983 2.574 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.243 -10.590 4.195 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.873 -12.419 6.040 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.760 -13.225 1.822 1.00 1.00 H new ATOM 0 HE1 TYR A 35 54.280 -14.825 6.488 1.00 1.00 H new ATOM 0 HE2 TYR A 35 54.171 -15.629 2.269 1.00 1.00 H new ATOM 0 HH TYR A 35 54.507 -17.209 3.808 1.00 1.00 H new ATOM 510 N MET A 36 50.867 -8.769 3.926 1.00 1.00 N ATOM 511 CA MET A 36 50.646 -7.343 4.142 1.00 1.00 C ATOM 512 C MET A 36 49.239 -7.094 4.674 1.00 1.00 C ATOM 513 O MET A 36 49.063 -6.585 5.781 1.00 1.00 O ATOM 514 CB MET A 36 50.839 -6.579 2.831 1.00 1.00 C ATOM 515 CG MET A 36 52.145 -7.022 2.167 1.00 1.00 C ATOM 516 SD MET A 36 53.536 -6.648 3.262 1.00 1.00 S ATOM 517 CE MET A 36 54.740 -7.749 2.479 1.00 1.00 C ATOM 0 H MET A 36 50.093 -9.255 3.472 1.00 1.00 H new ATOM 0 HA MET A 36 51.369 -6.990 4.877 1.00 1.00 H new ATOM 0 HB2 MET A 36 49.998 -6.765 2.163 1.00 1.00 H new ATOM 0 HB3 MET A 36 50.862 -5.506 3.023 1.00 1.00 H new ATOM 0 HG2 MET A 36 52.113 -8.091 1.954 1.00 1.00 H new ATOM 0 HG3 MET A 36 52.272 -6.511 1.213 1.00 1.00 H new ATOM 0 HE1 MET A 36 55.639 -7.801 3.093 1.00 1.00 H new ATOM 0 HE2 MET A 36 54.310 -8.746 2.379 1.00 1.00 H new ATOM 0 HE3 MET A 36 54.997 -7.364 1.492 1.00 1.00 H new ATOM 527 N LEU A 37 48.238 -7.456 3.876 1.00 1.00 N ATOM 528 CA LEU A 37 46.849 -7.267 4.276 1.00 1.00 C ATOM 529 C LEU A 37 46.546 -8.051 5.550 1.00 1.00 C ATOM 530 O LEU A 37 45.561 -7.784 6.236 1.00 1.00 O ATOM 531 CB LEU A 37 45.916 -7.732 3.157 1.00 1.00 C ATOM 532 CG LEU A 37 46.355 -7.103 1.833 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.412 -7.554 0.716 1.00 1.00 C ATOM 534 CD2 LEU A 37 46.308 -5.579 1.954 1.00 1.00 C ATOM 0 H LEU A 37 48.362 -7.878 2.956 1.00 1.00 H new ATOM 0 HA LEU A 37 46.687 -6.206 4.468 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.937 -8.819 3.080 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.888 -7.448 3.384 1.00 1.00 H new ATOM 0 HG LEU A 37 47.372 -7.419 1.600 1.00 1.00 H new ATOM 0 HD11 LEU A 37 45.725 -7.106 -0.227 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.443 -8.640 0.630 1.00 1.00 H new ATOM 0 HD13 LEU A 37 44.395 -7.238 0.948 1.00 1.00 H new ATOM 0 HD21 LEU A 37 46.621 -5.129 1.012 1.00 1.00 H new ATOM 0 HD22 LEU A 37 45.291 -5.264 2.187 1.00 1.00 H new ATOM 0 HD23 LEU A 37 46.979 -5.256 2.750 1.00 1.00 H new ATOM 546 N VAL A 38 47.403 -9.020 5.859 1.00 1.00 N ATOM 547 CA VAL A 38 47.218 -9.837 7.052 1.00 1.00 C ATOM 548 C VAL A 38 48.107 -9.339 8.187 1.00 1.00 C ATOM 549 O VAL A 38 47.638 -9.108 9.301 1.00 1.00 O ATOM 550 CB VAL A 38 47.555 -11.297 6.743 1.00 1.00 C ATOM 551 CG1 VAL A 38 47.152 -12.176 7.927 1.00 1.00 C ATOM 552 CG2 VAL A 38 46.789 -11.741 5.495 1.00 1.00 C ATOM 0 H VAL A 38 48.226 -9.257 5.304 1.00 1.00 H new ATOM 0 HA VAL A 38 46.176 -9.762 7.362 1.00 1.00 H new ATOM 0 HB VAL A 38 48.626 -11.394 6.568 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.392 -13.216 7.706 1.00 1.00 H new ATOM 0 HG12 VAL A 38 47.695 -11.859 8.817 1.00 1.00 H new ATOM 0 HG13 VAL A 38 46.081 -12.081 8.103 1.00 1.00 H new ATOM 0 HG21 VAL A 38 47.027 -12.781 5.273 1.00 1.00 H new ATOM 0 HG22 VAL A 38 45.718 -11.644 5.672 1.00 1.00 H new ATOM 0 HG23 VAL A 38 47.075 -11.115 4.650 1.00 1.00 H new ATOM 562 N PHE A 39 49.393 -9.176 7.895 1.00 1.00 N ATOM 563 CA PHE A 39 50.340 -8.703 8.899 1.00 1.00 C ATOM 564 C PHE A 39 49.741 -7.547 9.693 1.00 1.00 C ATOM 565 O PHE A 39 49.821 -7.518 10.922 1.00 1.00 O ATOM 566 CB PHE A 39 51.632 -8.246 8.221 1.00 1.00 C ATOM 567 CG PHE A 39 52.806 -8.541 9.124 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.021 -7.763 10.269 1.00 1.00 C ATOM 569 CD2 PHE A 39 53.680 -9.590 8.817 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.110 -8.037 11.106 1.00 1.00 C ATOM 571 CE2 PHE A 39 54.769 -9.863 9.653 1.00 1.00 C ATOM 572 CZ PHE A 39 54.984 -9.086 10.798 1.00 1.00 C ATOM 0 H PHE A 39 49.801 -9.363 6.979 1.00 1.00 H new ATOM 0 HA PHE A 39 50.560 -9.523 9.583 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.756 -8.758 7.267 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.584 -7.179 8.006 1.00 1.00 H new ATOM 0 HD1 PHE A 39 52.348 -6.953 10.506 1.00 1.00 H new ATOM 0 HD2 PHE A 39 53.514 -10.190 7.934 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.275 -7.439 11.990 1.00 1.00 H new ATOM 0 HE2 PHE A 39 55.443 -10.673 9.415 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.824 -9.296 11.443 1.00 1.00 H new ATOM 582 N LEU A 40 49.140 -6.597 8.982 1.00 1.00 N ATOM 583 CA LEU A 40 48.527 -5.441 9.627 1.00 1.00 C ATOM 584 C LEU A 40 47.007 -5.564 9.609 1.00 1.00 C ATOM 585 O LEU A 40 46.323 -4.820 8.906 1.00 1.00 O ATOM 586 CB LEU A 40 48.945 -4.158 8.906 1.00 1.00 C ATOM 587 CG LEU A 40 50.471 -4.054 8.890 1.00 1.00 C ATOM 588 CD1 LEU A 40 50.970 -4.071 7.444 1.00 1.00 C ATOM 589 CD2 LEU A 40 50.898 -2.747 9.561 1.00 1.00 C ATOM 0 H LEU A 40 49.065 -6.605 7.965 1.00 1.00 H new ATOM 0 HA LEU A 40 48.866 -5.402 10.662 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.560 -4.159 7.886 1.00 1.00 H new ATOM 0 HB3 LEU A 40 48.516 -3.290 9.408 1.00 1.00 H new ATOM 0 HG LEU A 40 50.898 -4.898 9.431 1.00 1.00 H new ATOM 0 HD11 LEU A 40 52.057 -3.997 7.433 1.00 1.00 H new ATOM 0 HD12 LEU A 40 50.665 -5.001 6.965 1.00 1.00 H new ATOM 0 HD13 LEU A 40 50.544 -3.227 6.902 1.00 1.00 H new ATOM 0 HD21 LEU A 40 51.985 -2.671 9.551 1.00 1.00 H new ATOM 0 HD22 LEU A 40 50.470 -1.903 9.020 1.00 1.00 H new ATOM 0 HD23 LEU A 40 50.543 -2.734 10.592 1.00 1.00 H new ATOM 601 N LEU A 41 46.486 -6.507 10.387 1.00 1.00 N ATOM 602 CA LEU A 41 45.044 -6.719 10.451 1.00 1.00 C ATOM 603 C LEU A 41 44.618 -7.061 11.876 1.00 1.00 C ATOM 604 O LEU A 41 43.795 -6.366 12.472 1.00 1.00 O ATOM 605 CB LEU A 41 44.640 -7.856 9.510 1.00 1.00 C ATOM 606 CG LEU A 41 43.556 -7.363 8.550 1.00 1.00 C ATOM 607 CD1 LEU A 41 43.176 -8.491 7.589 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.322 -6.939 9.349 1.00 1.00 C ATOM 0 H LEU A 41 47.035 -7.132 10.977 1.00 1.00 H new ATOM 0 HA LEU A 41 44.546 -5.800 10.143 1.00 1.00 H new ATOM 0 HB2 LEU A 41 45.507 -8.203 8.949 1.00 1.00 H new ATOM 0 HB3 LEU A 41 44.272 -8.705 10.086 1.00 1.00 H new ATOM 0 HG LEU A 41 43.933 -6.512 7.983 1.00 1.00 H new ATOM 0 HD11 LEU A 41 42.404 -8.141 6.904 1.00 1.00 H new ATOM 0 HD12 LEU A 41 44.054 -8.796 7.020 1.00 1.00 H new ATOM 0 HD13 LEU A 41 42.799 -9.341 8.157 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.549 -6.588 8.666 1.00 1.00 H new ATOM 0 HD22 LEU A 41 41.945 -7.790 9.916 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.591 -6.137 10.036 1.00 1.00 H new ATOM 620 N GLY A 42 45.185 -8.135 12.415 1.00 1.00 N ATOM 621 CA GLY A 42 44.857 -8.561 13.770 1.00 1.00 C ATOM 622 C GLY A 42 45.715 -7.827 14.795 1.00 1.00 C ATOM 623 O GLY A 42 45.786 -8.225 15.958 1.00 1.00 O ATOM 0 H GLY A 42 45.869 -8.723 11.938 1.00 1.00 H new ATOM 0 HA2 GLY A 42 43.802 -8.371 13.970 1.00 1.00 H new ATOM 0 HA3 GLY A 42 45.011 -9.636 13.865 1.00 1.00 H new ATOM 627 N THR A 43 46.364 -6.754 14.356 1.00 1.00 N ATOM 628 CA THR A 43 47.215 -5.971 15.245 1.00 1.00 C ATOM 629 C THR A 43 47.437 -4.572 14.679 1.00 1.00 C ATOM 630 O THR A 43 47.265 -3.575 15.379 1.00 1.00 O ATOM 631 CB THR A 43 48.564 -6.671 15.426 1.00 1.00 C ATOM 632 OG1 THR A 43 49.581 -5.696 15.610 1.00 1.00 O ATOM 633 CG2 THR A 43 48.877 -7.510 14.187 1.00 1.00 C ATOM 0 H THR A 43 46.318 -6.408 13.397 1.00 1.00 H new ATOM 0 HA THR A 43 46.718 -5.885 16.211 1.00 1.00 H new ATOM 0 HB THR A 43 48.521 -7.321 16.300 1.00 1.00 H new ATOM 0 HG1 THR A 43 50.430 -6.039 15.261 1.00 1.00 H new ATOM 0 HG21 THR A 43 49.838 -8.008 14.318 1.00 1.00 H new ATOM 0 HG22 THR A 43 48.097 -8.258 14.048 1.00 1.00 H new ATOM 0 HG23 THR A 43 48.920 -6.863 13.311 1.00 1.00 H new ATOM 641 N THR A 44 47.821 -4.508 13.408 1.00 1.00 N ATOM 642 CA THR A 44 48.064 -3.224 12.759 1.00 1.00 C ATOM 643 C THR A 44 48.837 -2.293 13.686 1.00 1.00 C ATOM 644 O THR A 44 48.797 -1.072 13.531 1.00 1.00 O ATOM 645 CB THR A 44 46.734 -2.573 12.370 1.00 1.00 C ATOM 646 OG1 THR A 44 46.382 -1.603 13.346 1.00 1.00 O ATOM 647 CG2 THR A 44 45.642 -3.642 12.293 1.00 1.00 C ATOM 0 H THR A 44 47.970 -5.322 12.811 1.00 1.00 H new ATOM 0 HA THR A 44 48.657 -3.399 11.862 1.00 1.00 H new ATOM 0 HB THR A 44 46.835 -2.092 11.397 1.00 1.00 H new ATOM 0 HG1 THR A 44 47.037 -0.875 13.334 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.696 -3.177 12.016 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.913 -4.386 11.544 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.538 -4.126 13.264 1.00 1.00 H new ATOM 655 N GLY A 45 49.539 -2.876 14.653 1.00 1.00 N ATOM 656 CA GLY A 45 50.319 -2.087 15.601 1.00 1.00 C ATOM 657 C GLY A 45 49.599 -1.977 16.940 1.00 1.00 C ATOM 658 O GLY A 45 50.234 -1.898 17.992 1.00 1.00 O ATOM 0 H GLY A 45 49.584 -3.884 14.801 1.00 1.00 H new ATOM 0 HA2 GLY A 45 51.296 -2.547 15.746 1.00 1.00 H new ATOM 0 HA3 GLY A 45 50.493 -1.091 15.194 1.00 1.00 H new ATOM 662 N ASN A 46 48.271 -1.972 16.894 1.00 1.00 N ATOM 663 CA ASN A 46 47.474 -1.871 18.111 1.00 1.00 C ATOM 664 C ASN A 46 47.597 -3.145 18.940 1.00 1.00 C ATOM 665 O ASN A 46 47.067 -3.230 20.048 1.00 1.00 O ATOM 666 CB ASN A 46 46.006 -1.629 17.756 1.00 1.00 C ATOM 667 CG ASN A 46 45.190 -2.888 18.030 1.00 1.00 C ATOM 668 OD1 ASN A 46 44.663 -3.061 19.129 1.00 1.00 O ATOM 669 ND2 ASN A 46 45.051 -3.782 17.089 1.00 1.00 N ATOM 0 H ASN A 46 47.727 -2.036 16.034 1.00 1.00 H new ATOM 0 HA ASN A 46 47.848 -1.032 18.699 1.00 1.00 H new ATOM 0 HB2 ASN A 46 45.614 -0.797 18.341 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.918 -1.350 16.706 1.00 1.00 H new ATOM 0 HD21 ASN A 46 44.505 -4.626 17.264 1.00 1.00 H new ATOM 0 HD22 ASN A 46 45.488 -3.637 16.179 1.00 1.00 H new ATOM 676 N GLY A 47 48.299 -4.134 18.396 1.00 1.00 N ATOM 677 CA GLY A 47 48.485 -5.401 19.095 1.00 1.00 C ATOM 678 C GLY A 47 49.739 -5.364 19.964 1.00 1.00 C ATOM 679 O GLY A 47 49.938 -6.227 20.818 1.00 1.00 O ATOM 0 H GLY A 47 48.745 -4.084 17.480 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.614 -5.610 19.716 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.563 -6.212 18.371 1.00 1.00 H new ATOM 683 N LEU A 48 50.579 -4.361 19.737 1.00 1.00 N ATOM 684 CA LEU A 48 51.811 -4.221 20.506 1.00 1.00 C ATOM 685 C LEU A 48 52.064 -2.758 20.853 1.00 1.00 C ATOM 686 O LEU A 48 53.195 -2.364 21.141 1.00 1.00 O ATOM 687 CB LEU A 48 52.993 -4.769 19.703 1.00 1.00 C ATOM 688 CG LEU A 48 52.844 -4.365 18.235 1.00 1.00 C ATOM 689 CD1 LEU A 48 54.218 -4.022 17.658 1.00 1.00 C ATOM 690 CD2 LEU A 48 52.237 -5.528 17.447 1.00 1.00 C ATOM 0 H LEU A 48 50.432 -3.638 19.033 1.00 1.00 H new ATOM 0 HA LEU A 48 51.706 -4.788 21.431 1.00 1.00 H new ATOM 0 HB2 LEU A 48 53.930 -4.382 20.104 1.00 1.00 H new ATOM 0 HB3 LEU A 48 53.033 -5.855 19.790 1.00 1.00 H new ATOM 0 HG LEU A 48 52.192 -3.495 18.162 1.00 1.00 H new ATOM 0 HD11 LEU A 48 54.112 -3.734 16.612 1.00 1.00 H new ATOM 0 HD12 LEU A 48 54.652 -3.195 18.220 1.00 1.00 H new ATOM 0 HD13 LEU A 48 54.871 -4.892 17.730 1.00 1.00 H new ATOM 0 HD21 LEU A 48 52.130 -5.242 16.401 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.890 -6.398 17.521 1.00 1.00 H new ATOM 0 HD23 LEU A 48 51.258 -5.774 17.858 1.00 1.00 H new ATOM 702 N VAL A 49 51.004 -1.956 20.824 1.00 1.00 N ATOM 703 CA VAL A 49 51.124 -0.536 21.137 1.00 1.00 C ATOM 704 C VAL A 49 49.944 -0.074 21.987 1.00 1.00 C ATOM 705 O VAL A 49 50.114 0.681 22.943 1.00 1.00 O ATOM 706 CB VAL A 49 51.177 0.281 19.847 1.00 1.00 C ATOM 707 CG1 VAL A 49 51.250 1.771 20.189 1.00 1.00 C ATOM 708 CG2 VAL A 49 52.417 -0.117 19.044 1.00 1.00 C ATOM 0 H VAL A 49 50.060 -2.262 20.589 1.00 1.00 H new ATOM 0 HA VAL A 49 52.045 -0.384 21.700 1.00 1.00 H new ATOM 0 HB VAL A 49 50.282 0.087 19.257 1.00 1.00 H new ATOM 0 HG11 VAL A 49 51.288 2.354 19.269 1.00 1.00 H new ATOM 0 HG12 VAL A 49 50.369 2.056 20.763 1.00 1.00 H new ATOM 0 HG13 VAL A 49 52.146 1.965 20.779 1.00 1.00 H new ATOM 0 HG21 VAL A 49 52.456 0.465 18.123 1.00 1.00 H new ATOM 0 HG22 VAL A 49 53.312 0.078 19.635 1.00 1.00 H new ATOM 0 HG23 VAL A 49 52.368 -1.178 18.801 1.00 1.00 H new ATOM 718 N LEU A 50 48.749 -0.534 21.630 1.00 1.00 N ATOM 719 CA LEU A 50 47.547 -0.161 22.369 1.00 1.00 C ATOM 720 C LEU A 50 47.146 -1.275 23.329 1.00 1.00 C ATOM 721 O LEU A 50 46.815 -1.021 24.487 1.00 1.00 O ATOM 722 CB LEU A 50 46.399 0.117 21.390 1.00 1.00 C ATOM 723 CG LEU A 50 45.180 0.662 22.148 1.00 1.00 C ATOM 724 CD1 LEU A 50 45.508 2.024 22.770 1.00 1.00 C ATOM 725 CD2 LEU A 50 44.011 0.822 21.173 1.00 1.00 C ATOM 0 H LEU A 50 48.587 -1.160 20.841 1.00 1.00 H new ATOM 0 HA LEU A 50 47.757 0.740 22.945 1.00 1.00 H new ATOM 0 HB2 LEU A 50 46.720 0.836 20.636 1.00 1.00 H new ATOM 0 HB3 LEU A 50 46.130 -0.799 20.863 1.00 1.00 H new ATOM 0 HG LEU A 50 44.913 -0.036 22.941 1.00 1.00 H new ATOM 0 HD11 LEU A 50 44.635 2.399 23.305 1.00 1.00 H new ATOM 0 HD12 LEU A 50 46.340 1.916 23.465 1.00 1.00 H new ATOM 0 HD13 LEU A 50 45.782 2.727 21.983 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.143 1.209 21.706 1.00 1.00 H new ATOM 0 HD22 LEU A 50 44.290 1.517 20.381 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.767 -0.146 20.736 1.00 1.00 H new ATOM 737 N TRP A 51 47.176 -2.511 22.840 1.00 1.00 N ATOM 738 CA TRP A 51 46.813 -3.657 23.664 1.00 1.00 C ATOM 739 C TRP A 51 47.752 -3.776 24.860 1.00 1.00 C ATOM 740 O TRP A 51 47.392 -4.349 25.889 1.00 1.00 O ATOM 741 CB TRP A 51 46.877 -4.939 22.832 1.00 1.00 C ATOM 742 CG TRP A 51 47.639 -5.984 23.582 1.00 1.00 C ATOM 743 CD1 TRP A 51 48.987 -6.070 23.639 1.00 1.00 C ATOM 744 CD2 TRP A 51 47.123 -7.090 24.378 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.333 -7.158 24.420 1.00 1.00 N ATOM 746 CE2 TRP A 51 48.219 -7.819 24.899 1.00 1.00 C ATOM 747 CE3 TRP A 51 45.825 -7.526 24.696 1.00 1.00 C ATOM 748 CZ2 TRP A 51 48.032 -8.941 25.706 1.00 1.00 C ATOM 749 CZ3 TRP A 51 45.634 -8.656 25.509 1.00 1.00 C ATOM 750 CH2 TRP A 51 46.736 -9.361 26.013 1.00 1.00 C ATOM 0 H TRP A 51 47.446 -2.743 21.884 1.00 1.00 H new ATOM 0 HA TRP A 51 45.796 -3.511 24.029 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.870 -5.294 22.615 1.00 1.00 H new ATOM 0 HB3 TRP A 51 47.358 -4.740 21.875 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.680 -5.399 23.154 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.294 -7.438 24.618 1.00 1.00 H new ATOM 0 HE3 TRP A 51 44.970 -6.989 24.313 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 48.884 -9.482 26.091 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 44.633 -8.983 25.747 1.00 1.00 H new ATOM 0 HH2 TRP A 51 46.583 -10.228 26.638 1.00 1.00 H new ATOM 761 N THR A 52 48.955 -3.230 24.718 1.00 1.00 N ATOM 762 CA THR A 52 49.938 -3.282 25.795 1.00 1.00 C ATOM 763 C THR A 52 49.591 -2.272 26.884 1.00 1.00 C ATOM 764 O THR A 52 49.902 -2.479 28.057 1.00 1.00 O ATOM 765 CB THR A 52 51.334 -2.983 25.244 1.00 1.00 C ATOM 766 OG1 THR A 52 52.307 -3.308 26.225 1.00 1.00 O ATOM 767 CG2 THR A 52 51.438 -1.499 24.891 1.00 1.00 C ATOM 0 H THR A 52 49.272 -2.750 23.875 1.00 1.00 H new ATOM 0 HA THR A 52 49.926 -4.283 26.226 1.00 1.00 H new ATOM 0 HB THR A 52 51.507 -3.579 24.348 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.202 -3.119 25.873 1.00 1.00 H new ATOM 0 HG21 THR A 52 52.433 -1.287 24.499 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.690 -1.251 24.138 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.265 -0.899 25.785 1.00 1.00 H new ATOM 775 N VAL A 53 48.946 -1.180 26.487 1.00 1.00 N ATOM 776 CA VAL A 53 48.562 -0.145 27.439 1.00 1.00 C ATOM 777 C VAL A 53 47.748 -0.742 28.581 1.00 1.00 C ATOM 778 O VAL A 53 48.164 -0.704 29.739 1.00 1.00 O ATOM 779 CB VAL A 53 47.737 0.933 26.732 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.353 2.022 27.734 1.00 1.00 C ATOM 781 CG2 VAL A 53 48.565 1.549 25.602 1.00 1.00 C ATOM 0 H VAL A 53 48.680 -0.990 25.521 1.00 1.00 H new ATOM 0 HA VAL A 53 49.469 0.300 27.849 1.00 1.00 H new ATOM 0 HB VAL A 53 46.833 0.485 26.319 1.00 1.00 H new ATOM 0 HG11 VAL A 53 46.766 2.789 27.230 1.00 1.00 H new ATOM 0 HG12 VAL A 53 46.763 1.584 28.539 1.00 1.00 H new ATOM 0 HG13 VAL A 53 48.256 2.470 28.148 1.00 1.00 H new ATOM 0 HG21 VAL A 53 47.978 2.317 25.098 1.00 1.00 H new ATOM 0 HG22 VAL A 53 49.469 1.996 26.015 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.838 0.773 24.887 1.00 1.00 H new ATOM 791 N PHE A 54 46.586 -1.294 28.247 1.00 1.00 N ATOM 792 CA PHE A 54 45.720 -1.898 29.253 1.00 1.00 C ATOM 793 C PHE A 54 46.302 -3.223 29.735 1.00 1.00 C ATOM 794 O PHE A 54 45.572 -4.188 29.959 1.00 1.00 O ATOM 795 CB PHE A 54 44.326 -2.132 28.667 1.00 1.00 C ATOM 796 CG PHE A 54 43.591 -0.816 28.573 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.060 -0.226 29.726 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.442 -0.185 27.332 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.380 0.995 29.638 1.00 1.00 C ATOM 800 CE2 PHE A 54 42.762 1.035 27.244 1.00 1.00 C ATOM 801 CZ PHE A 54 42.231 1.625 28.397 1.00 1.00 C ATOM 0 H PHE A 54 46.224 -1.336 27.294 1.00 1.00 H new ATOM 0 HA PHE A 54 45.648 -1.217 30.101 1.00 1.00 H new ATOM 0 HB2 PHE A 54 44.407 -2.587 27.680 1.00 1.00 H new ATOM 0 HB3 PHE A 54 43.769 -2.828 29.294 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.175 -0.712 30.683 1.00 1.00 H new ATOM 0 HD2 PHE A 54 43.852 -0.640 26.442 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.971 1.451 30.528 1.00 1.00 H new ATOM 0 HE2 PHE A 54 42.647 1.521 26.287 1.00 1.00 H new ATOM 0 HZ PHE A 54 41.706 2.566 28.329 1.00 1.00 H new ATOM 811 N ARG A 55 47.621 -3.261 29.894 1.00 1.00 N ATOM 812 CA ARG A 55 48.291 -4.473 30.351 1.00 1.00 C ATOM 813 C ARG A 55 49.537 -4.124 31.157 1.00 1.00 C ATOM 814 O ARG A 55 49.756 -4.660 32.243 1.00 1.00 O ATOM 815 CB ARG A 55 48.684 -5.337 29.150 1.00 1.00 C ATOM 816 CG ARG A 55 49.342 -6.628 29.643 1.00 1.00 C ATOM 817 CD ARG A 55 48.638 -7.833 29.019 1.00 1.00 C ATOM 818 NE ARG A 55 49.223 -9.074 29.515 1.00 1.00 N ATOM 819 CZ ARG A 55 48.557 -10.221 29.451 1.00 1.00 C ATOM 820 NH1 ARG A 55 47.359 -10.252 28.935 1.00 1.00 N ATOM 821 NH2 ARG A 55 49.101 -11.318 29.905 1.00 1.00 N ATOM 0 H ARG A 55 48.243 -2.473 29.715 1.00 1.00 H new ATOM 0 HA ARG A 55 47.603 -5.028 30.988 1.00 1.00 H new ATOM 0 HB2 ARG A 55 47.803 -5.571 28.553 1.00 1.00 H new ATOM 0 HB3 ARG A 55 49.371 -4.790 28.504 1.00 1.00 H new ATOM 0 HG2 ARG A 55 50.399 -6.634 29.377 1.00 1.00 H new ATOM 0 HG3 ARG A 55 49.286 -6.684 30.730 1.00 1.00 H new ATOM 0 HD2 ARG A 55 47.574 -7.804 29.256 1.00 1.00 H new ATOM 0 HD3 ARG A 55 48.724 -7.791 27.933 1.00 1.00 H new ATOM 0 HE ARG A 55 50.160 -9.060 29.918 1.00 1.00 H new ATOM 0 HH11 ARG A 55 46.934 -9.395 28.581 1.00 1.00 H new ATOM 0 HH12 ARG A 55 46.848 -11.133 28.886 1.00 1.00 H new ATOM 0 HH21 ARG A 55 50.037 -11.294 30.309 1.00 1.00 H new ATOM 0 HH22 ARG A 55 48.589 -12.199 29.856 1.00 1.00 H new ATOM 835 N LYS A 56 50.352 -3.221 30.618 1.00 1.00 N ATOM 836 CA LYS A 56 51.574 -2.807 31.298 1.00 1.00 C ATOM 837 C LYS A 56 51.251 -2.191 32.655 1.00 1.00 C ATOM 838 O LYS A 56 52.107 -2.124 33.537 1.00 1.00 O ATOM 839 CB LYS A 56 52.328 -1.790 30.439 1.00 1.00 C ATOM 840 CG LYS A 56 51.392 -0.639 30.070 1.00 1.00 C ATOM 841 CD LYS A 56 51.959 0.675 30.612 1.00 1.00 C ATOM 842 CE LYS A 56 51.087 1.841 30.142 1.00 1.00 C ATOM 843 NZ LYS A 56 51.791 2.581 29.057 1.00 1.00 N ATOM 0 H LYS A 56 50.190 -2.766 29.720 1.00 1.00 H new ATOM 0 HA LYS A 56 52.198 -3.687 31.453 1.00 1.00 H new ATOM 0 HB2 LYS A 56 53.193 -1.409 30.983 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.705 -2.270 29.536 1.00 1.00 H new ATOM 0 HG2 LYS A 56 51.280 -0.580 28.987 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.399 -0.817 30.483 1.00 1.00 H new ATOM 0 HD2 LYS A 56 51.991 0.647 31.701 1.00 1.00 H new ATOM 0 HD3 LYS A 56 52.984 0.811 30.266 1.00 1.00 H new ATOM 0 HE2 LYS A 56 50.128 1.470 29.781 1.00 1.00 H new ATOM 0 HE3 LYS A 56 50.876 2.510 30.976 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 51.199 3.374 28.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 52.695 2.947 29.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 51.971 1.939 28.259 1.00 1.00 H new ATOM 857 N LYS A 57 50.010 -1.741 32.815 1.00 1.00 N ATOM 858 CA LYS A 57 49.586 -1.131 34.070 1.00 1.00 C ATOM 859 C LYS A 57 49.722 -2.123 35.220 1.00 1.00 C ATOM 860 O LYS A 57 49.811 -1.730 36.384 1.00 1.00 O ATOM 861 CB LYS A 57 48.131 -0.670 33.960 1.00 1.00 C ATOM 862 CG LYS A 57 47.946 0.135 32.672 1.00 1.00 C ATOM 863 CD LYS A 57 47.265 1.466 32.995 1.00 1.00 C ATOM 864 CE LYS A 57 47.095 2.278 31.709 1.00 1.00 C ATOM 865 NZ LYS A 57 45.731 2.877 31.676 1.00 1.00 N ATOM 0 H LYS A 57 49.286 -1.787 32.098 1.00 1.00 H new ATOM 0 HA LYS A 57 50.226 -0.271 34.270 1.00 1.00 H new ATOM 0 HB2 LYS A 57 47.464 -1.532 33.961 1.00 1.00 H new ATOM 0 HB3 LYS A 57 47.865 -0.060 34.824 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.912 0.314 32.201 1.00 1.00 H new ATOM 0 HG3 LYS A 57 47.344 -0.430 31.961 1.00 1.00 H new ATOM 0 HD2 LYS A 57 46.294 1.287 33.456 1.00 1.00 H new ATOM 0 HD3 LYS A 57 47.861 2.026 33.715 1.00 1.00 H new ATOM 0 HE2 LYS A 57 47.850 3.063 31.659 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.244 1.638 30.840 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.615 3.429 30.802 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.019 2.120 31.704 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 45.606 3.501 32.499 1.00 1.00 H new ATOM 879 N GLY A 58 49.736 -3.409 34.888 1.00 1.00 N ATOM 880 CA GLY A 58 49.862 -4.449 35.903 1.00 1.00 C ATOM 881 C GLY A 58 49.138 -5.721 35.473 1.00 1.00 C ATOM 882 O GLY A 58 48.109 -6.084 36.042 1.00 1.00 O ATOM 0 H GLY A 58 49.662 -3.755 33.931 1.00 1.00 H new ATOM 0 HA2 GLY A 58 50.916 -4.667 36.077 1.00 1.00 H new ATOM 0 HA3 GLY A 58 49.450 -4.093 36.847 1.00 1.00 H new ATOM 886 N HIS A 59 49.683 -6.393 34.464 1.00 1.00 N ATOM 887 CA HIS A 59 49.081 -7.625 33.966 1.00 1.00 C ATOM 888 C HIS A 59 47.564 -7.485 33.888 1.00 1.00 C ATOM 889 O HIS A 59 46.835 -8.091 34.673 1.00 1.00 O ATOM 890 CB HIS A 59 49.440 -8.792 34.887 1.00 1.00 C ATOM 891 CG HIS A 59 50.885 -9.161 34.688 1.00 1.00 C ATOM 892 ND1 HIS A 59 51.312 -10.479 34.645 1.00 1.00 N ATOM 893 CD2 HIS A 59 52.012 -8.396 34.519 1.00 1.00 C ATOM 894 CE1 HIS A 59 52.644 -10.468 34.458 1.00 1.00 C ATOM 895 NE2 HIS A 59 53.122 -9.223 34.374 1.00 1.00 N ATOM 0 H HIS A 59 50.534 -6.108 33.978 1.00 1.00 H new ATOM 0 HA HIS A 59 49.470 -7.819 32.966 1.00 1.00 H new ATOM 0 HB2 HIS A 59 49.264 -8.516 35.927 1.00 1.00 H new ATOM 0 HB3 HIS A 59 48.802 -9.649 34.672 1.00 1.00 H new ATOM 0 HD2 HIS A 59 52.034 -7.316 34.501 1.00 1.00 H new ATOM 0 HE1 HIS A 59 53.253 -11.357 34.385 1.00 1.00 H new ATOM 0 HE2 HIS A 59 54.092 -8.940 34.234 1.00 1.00 H new ATOM 903 N HIS A 60 47.098 -6.684 32.934 1.00 1.00 N ATOM 904 CA HIS A 60 45.665 -6.472 32.758 1.00 1.00 C ATOM 905 C HIS A 60 44.969 -6.343 34.109 1.00 1.00 C ATOM 906 O HIS A 60 43.838 -6.797 34.281 1.00 1.00 O ATOM 907 CB HIS A 60 45.060 -7.637 31.976 1.00 1.00 C ATOM 908 CG HIS A 60 45.038 -8.867 32.843 1.00 1.00 C ATOM 909 ND1 HIS A 60 43.987 -9.147 33.702 1.00 1.00 N ATOM 910 CD2 HIS A 60 45.930 -9.899 32.992 1.00 1.00 C ATOM 911 CE1 HIS A 60 44.270 -10.305 34.325 1.00 1.00 C ATOM 912 NE2 HIS A 60 45.443 -10.806 33.929 1.00 1.00 N ATOM 0 H HIS A 60 47.687 -6.174 32.275 1.00 1.00 H new ATOM 0 HA HIS A 60 45.519 -5.546 32.202 1.00 1.00 H new ATOM 0 HB2 HIS A 60 44.049 -7.387 31.655 1.00 1.00 H new ATOM 0 HB3 HIS A 60 45.643 -7.825 31.074 1.00 1.00 H new ATOM 0 HD1 HIS A 60 43.151 -8.578 33.837 1.00 1.00 H new ATOM 0 HD2 HIS A 60 46.867 -9.993 32.463 1.00 1.00 H new ATOM 0 HE1 HIS A 60 43.627 -10.773 35.056 1.00 1.00 H new ATOM 920 N HIS A 61 45.652 -5.721 35.065 1.00 1.00 N ATOM 921 CA HIS A 61 45.089 -5.538 36.397 1.00 1.00 C ATOM 922 C HIS A 61 44.649 -6.876 36.981 1.00 1.00 C ATOM 923 O HIS A 61 43.627 -7.434 36.579 1.00 1.00 O ATOM 924 CB HIS A 61 43.893 -4.588 36.333 1.00 1.00 C ATOM 925 CG HIS A 61 44.368 -3.202 35.993 1.00 1.00 C ATOM 926 ND1 HIS A 61 43.605 -2.075 36.250 1.00 1.00 N ATOM 927 CD2 HIS A 61 45.528 -2.746 35.416 1.00 1.00 C ATOM 928 CE1 HIS A 61 44.305 -1.005 35.832 1.00 1.00 C ATOM 929 NE2 HIS A 61 45.485 -1.359 35.315 1.00 1.00 N ATOM 0 H HIS A 61 46.589 -5.338 34.943 1.00 1.00 H new ATOM 0 HA HIS A 61 45.858 -5.109 37.040 1.00 1.00 H new ATOM 0 HB2 HIS A 61 43.181 -4.933 35.584 1.00 1.00 H new ATOM 0 HB3 HIS A 61 43.370 -4.580 37.290 1.00 1.00 H new ATOM 0 HD1 HIS A 61 42.680 -2.059 36.679 1.00 1.00 H new ATOM 0 HD2 HIS A 61 46.348 -3.369 35.090 1.00 1.00 H new ATOM 0 HE1 HIS A 61 43.956 0.014 35.905 1.00 1.00 H new ATOM 937 N HIS A 62 45.424 -7.385 37.933 1.00 1.00 N ATOM 938 CA HIS A 62 45.102 -8.659 38.566 1.00 1.00 C ATOM 939 C HIS A 62 45.527 -8.651 40.031 1.00 1.00 C ATOM 940 O HIS A 62 46.713 -8.762 40.345 1.00 1.00 O ATOM 941 CB HIS A 62 45.811 -9.800 37.834 1.00 1.00 C ATOM 942 CG HIS A 62 44.968 -11.043 37.908 1.00 1.00 C ATOM 943 ND1 HIS A 62 45.485 -12.263 38.315 1.00 1.00 N ATOM 944 CD2 HIS A 62 43.643 -11.270 37.632 1.00 1.00 C ATOM 945 CE1 HIS A 62 44.484 -13.162 38.272 1.00 1.00 C ATOM 946 NE2 HIS A 62 43.340 -12.610 37.863 1.00 1.00 N ATOM 0 H HIS A 62 46.273 -6.939 38.281 1.00 1.00 H new ATOM 0 HA HIS A 62 44.024 -8.808 38.512 1.00 1.00 H new ATOM 0 HB2 HIS A 62 45.984 -9.527 36.793 1.00 1.00 H new ATOM 0 HB3 HIS A 62 46.788 -9.983 38.282 1.00 1.00 H new ATOM 0 HD2 HIS A 62 42.942 -10.524 37.288 1.00 1.00 H new ATOM 0 HE1 HIS A 62 44.593 -14.203 38.536 1.00 1.00 H new ATOM 0 HE2 HIS A 62 42.437 -13.070 37.745 1.00 1.00 H new ATOM 954 N HIS A 63 44.552 -8.520 40.925 1.00 1.00 N ATOM 955 CA HIS A 63 44.837 -8.498 42.355 1.00 1.00 C ATOM 956 C HIS A 63 44.645 -9.886 42.960 1.00 1.00 C ATOM 957 O HIS A 63 43.567 -10.214 43.455 1.00 1.00 O ATOM 958 CB HIS A 63 43.912 -7.502 43.057 1.00 1.00 C ATOM 959 CG HIS A 63 43.873 -6.218 42.275 1.00 1.00 C ATOM 960 ND1 HIS A 63 42.727 -5.443 42.184 1.00 1.00 N ATOM 961 CD2 HIS A 63 44.830 -5.560 41.542 1.00 1.00 C ATOM 962 CE1 HIS A 63 43.020 -4.374 41.422 1.00 1.00 C ATOM 963 NE2 HIS A 63 44.288 -4.396 41.004 1.00 1.00 N ATOM 0 H HIS A 63 43.564 -8.428 40.687 1.00 1.00 H new ATOM 0 HA HIS A 63 45.874 -8.192 42.495 1.00 1.00 H new ATOM 0 HB2 HIS A 63 42.909 -7.919 43.142 1.00 1.00 H new ATOM 0 HB3 HIS A 63 44.266 -7.313 44.070 1.00 1.00 H new ATOM 0 HD2 HIS A 63 45.848 -5.894 41.404 1.00 1.00 H new ATOM 0 HE1 HIS A 63 42.315 -3.593 41.178 1.00 1.00 H new ATOM 0 HE2 HIS A 63 44.759 -3.708 40.417 1.00 1.00 H new ATOM 971 N HIS A 64 45.698 -10.695 42.915 1.00 1.00 N ATOM 972 CA HIS A 64 45.634 -12.046 43.462 1.00 1.00 C ATOM 973 C HIS A 64 46.296 -12.099 44.836 1.00 1.00 C ATOM 974 O HIS A 64 45.611 -12.431 45.789 1.00 1.00 O ATOM 975 CB HIS A 64 46.334 -13.026 42.518 1.00 1.00 C ATOM 976 CG HIS A 64 46.685 -14.281 43.270 1.00 1.00 C ATOM 977 ND1 HIS A 64 46.068 -14.930 44.310 1.00 1.00 N flip ATOM 978 CD2 HIS A 64 47.813 -15.029 42.972 1.00 1.00 C flip ATOM 979 CE1 HIS A 64 46.800 -16.063 44.654 1.00 1.00 C flip ATOM 980 NE2 HIS A 64 47.840 -16.075 43.817 1.00 1.00 N flip ATOM 981 OXT HIS A 64 47.478 -11.807 44.914 1.00 1.00 O ATOM 0 H HIS A 64 46.599 -10.442 42.509 1.00 1.00 H new ATOM 0 HA HIS A 64 44.586 -12.327 43.565 1.00 1.00 H new ATOM 0 HB2 HIS A 64 45.684 -13.263 41.676 1.00 1.00 H new ATOM 0 HB3 HIS A 64 47.235 -12.571 42.107 1.00 1.00 H new ATOM 0 HD2 HIS A 64 48.538 -14.812 42.202 1.00 1.00 H new ATOM 0 HE1 HIS A 64 46.575 -16.779 45.431 1.00 1.00 H new ATOM 0 HE2 HIS A 64 48.567 -16.791 43.818 1.00 1.00 H new TER 989 HIS A 64