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 59 HIS :FLIP no HE2:sc= -3.78! C(o=-8.1!,f=-5.1!) USER MOD Set 1.2: A 60 HIS :FLIP no HD1:sc= -1.35 F(o=-7.9!,f=-5.1) USER MOD Set 2.1: A 44 THR OG1 : rot -46:sc= 1.08 USER MOD Set 2.2: A 46 ASN : amide:sc= 0.0209 X(o=1.1,f=1.1) USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0794) USER MOD Single : A 1 MET N :NH3+ -145:sc= -0.174 (180deg=-1.26!) USER MOD Single : A 9 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.051) 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= -2.97! C(o=-3!,f=-2.9!) USER MOD Single : A 16 GLN : amide:sc= -0.985 X(o=-0.98,f=-1.2) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.147 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.214 (180deg=-1.3!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 162:sc= -1.95! 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+ -158:sc= -0.0436 (180deg=-0.447) USER MOD Single : A 61 HIS : no HD1:sc= 0.156! C(o=0.16!,f=-3.9!) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-4.9!) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.759 F(o=-1.7!,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 78.669 -49.954 9.264 1.00 1.00 N ATOM 2 CA MET A 1 79.323 -48.637 9.507 1.00 1.00 C ATOM 3 C MET A 1 78.971 -47.681 8.373 1.00 1.00 C ATOM 4 O MET A 1 78.548 -46.549 8.610 1.00 1.00 O ATOM 5 CB MET A 1 80.840 -48.829 9.576 1.00 1.00 C ATOM 6 CG MET A 1 81.162 -50.012 10.490 1.00 1.00 C ATOM 7 SD MET A 1 82.521 -49.565 11.598 1.00 1.00 S ATOM 8 CE MET A 1 83.837 -49.563 10.356 1.00 1.00 C ATOM 0 H1 MET A 1 78.384 -50.373 10.172 1.00 1.00 H new ATOM 0 H2 MET A 1 77.829 -49.819 8.666 1.00 1.00 H new ATOM 0 H3 MET A 1 79.337 -50.590 8.784 1.00 1.00 H new ATOM 0 HA MET A 1 78.971 -48.219 10.450 1.00 1.00 H new ATOM 0 HB2 MET A 1 81.241 -49.007 8.578 1.00 1.00 H new ATOM 0 HB3 MET A 1 81.315 -47.924 9.954 1.00 1.00 H new ATOM 0 HG2 MET A 1 80.281 -50.288 11.070 1.00 1.00 H new ATOM 0 HG3 MET A 1 81.436 -50.882 9.894 1.00 1.00 H new ATOM 0 HE1 MET A 1 84.804 -49.466 10.850 1.00 1.00 H new ATOM 0 HE2 MET A 1 83.809 -50.497 9.795 1.00 1.00 H new ATOM 0 HE3 MET A 1 83.692 -48.725 9.674 1.00 1.00 H new ATOM 20 N GLU A 2 79.147 -48.142 7.139 1.00 1.00 N ATOM 21 CA GLU A 2 78.844 -47.318 5.975 1.00 1.00 C ATOM 22 C GLU A 2 79.906 -46.239 5.791 1.00 1.00 C ATOM 23 O GLU A 2 80.401 -46.023 4.686 1.00 1.00 O ATOM 24 CB GLU A 2 77.471 -46.664 6.142 1.00 1.00 C ATOM 25 CG GLU A 2 76.819 -46.489 4.768 1.00 1.00 C ATOM 26 CD GLU A 2 75.482 -45.770 4.915 1.00 1.00 C ATOM 27 OE1 GLU A 2 74.780 -46.055 5.872 1.00 1.00 O ATOM 28 OE2 GLU A 2 75.179 -44.946 4.068 1.00 1.00 O ATOM 0 H GLU A 2 79.495 -49.075 6.920 1.00 1.00 H new ATOM 0 HA GLU A 2 78.836 -47.957 5.092 1.00 1.00 H new ATOM 0 HB2 GLU A 2 76.838 -47.280 6.781 1.00 1.00 H new ATOM 0 HB3 GLU A 2 77.574 -45.697 6.633 1.00 1.00 H new ATOM 0 HG2 GLU A 2 77.478 -45.919 4.113 1.00 1.00 H new ATOM 0 HG3 GLU A 2 76.669 -47.462 4.301 1.00 1.00 H new ATOM 35 N GLU A 3 80.251 -45.564 6.883 1.00 1.00 N ATOM 36 CA GLU A 3 81.256 -44.508 6.830 1.00 1.00 C ATOM 37 C GLU A 3 80.877 -43.458 5.791 1.00 1.00 C ATOM 38 O GLU A 3 81.084 -43.654 4.593 1.00 1.00 O ATOM 39 CB GLU A 3 82.622 -45.104 6.483 1.00 1.00 C ATOM 40 CG GLU A 3 83.562 -44.959 7.680 1.00 1.00 C ATOM 41 CD GLU A 3 84.907 -45.607 7.369 1.00 1.00 C ATOM 42 OE1 GLU A 3 85.109 -45.985 6.227 1.00 1.00 O ATOM 43 OE2 GLU A 3 85.714 -45.715 8.276 1.00 1.00 O ATOM 0 H GLU A 3 79.853 -45.727 7.808 1.00 1.00 H new ATOM 0 HA GLU A 3 81.306 -44.031 7.809 1.00 1.00 H new ATOM 0 HB2 GLU A 3 82.515 -46.156 6.217 1.00 1.00 H new ATOM 0 HB3 GLU A 3 83.042 -44.597 5.614 1.00 1.00 H new ATOM 0 HG2 GLU A 3 83.703 -43.904 7.916 1.00 1.00 H new ATOM 0 HG3 GLU A 3 83.119 -45.426 8.560 1.00 1.00 H new ATOM 50 N GLY A 4 80.321 -42.346 6.257 1.00 1.00 N ATOM 51 CA GLY A 4 79.917 -41.271 5.357 1.00 1.00 C ATOM 52 C GLY A 4 79.322 -40.103 6.137 1.00 1.00 C ATOM 53 O GLY A 4 80.049 -39.256 6.656 1.00 1.00 O ATOM 0 H GLY A 4 80.140 -42.165 7.244 1.00 1.00 H new ATOM 0 HA2 GLY A 4 80.778 -40.929 4.783 1.00 1.00 H new ATOM 0 HA3 GLY A 4 79.185 -41.646 4.641 1.00 1.00 H new ATOM 57 N GLY A 5 77.996 -40.064 6.214 1.00 1.00 N ATOM 58 CA GLY A 5 77.314 -38.994 6.934 1.00 1.00 C ATOM 59 C GLY A 5 77.917 -37.637 6.591 1.00 1.00 C ATOM 60 O GLY A 5 77.999 -36.750 7.441 1.00 1.00 O ATOM 0 H GLY A 5 77.376 -40.755 5.791 1.00 1.00 H new ATOM 0 HA2 GLY A 5 76.254 -38.999 6.682 1.00 1.00 H new ATOM 0 HA3 GLY A 5 77.388 -39.168 8.007 1.00 1.00 H new ATOM 64 N ASP A 6 78.337 -37.480 5.339 1.00 1.00 N ATOM 65 CA ASP A 6 78.931 -36.225 4.895 1.00 1.00 C ATOM 66 C ASP A 6 77.846 -35.231 4.494 1.00 1.00 C ATOM 67 O ASP A 6 77.680 -34.189 5.128 1.00 1.00 O ATOM 68 CB ASP A 6 79.858 -36.479 3.704 1.00 1.00 C ATOM 69 CG ASP A 6 80.857 -37.579 4.047 1.00 1.00 C ATOM 70 OD1 ASP A 6 81.600 -37.403 4.999 1.00 1.00 O ATOM 71 OD2 ASP A 6 80.863 -38.583 3.354 1.00 1.00 O ATOM 0 H ASP A 6 78.277 -38.201 4.620 1.00 1.00 H new ATOM 0 HA ASP A 6 79.506 -35.805 5.720 1.00 1.00 H new ATOM 0 HB2 ASP A 6 79.272 -36.768 2.831 1.00 1.00 H new ATOM 0 HB3 ASP A 6 80.388 -35.563 3.443 1.00 1.00 H new ATOM 76 N PHE A 7 77.110 -35.559 3.438 1.00 1.00 N ATOM 77 CA PHE A 7 76.042 -34.688 2.961 1.00 1.00 C ATOM 78 C PHE A 7 76.570 -33.276 2.724 1.00 1.00 C ATOM 79 O PHE A 7 75.910 -32.294 3.062 1.00 1.00 O ATOM 80 CB PHE A 7 74.907 -34.644 3.985 1.00 1.00 C ATOM 81 CG PHE A 7 74.134 -35.940 3.935 1.00 1.00 C ATOM 82 CD1 PHE A 7 74.665 -37.095 4.522 1.00 1.00 C ATOM 83 CD2 PHE A 7 72.886 -35.987 3.303 1.00 1.00 C ATOM 84 CE1 PHE A 7 73.948 -38.297 4.476 1.00 1.00 C ATOM 85 CE2 PHE A 7 72.169 -37.188 3.258 1.00 1.00 C ATOM 86 CZ PHE A 7 72.699 -38.343 3.844 1.00 1.00 C ATOM 0 H PHE A 7 77.232 -36.416 2.899 1.00 1.00 H new ATOM 0 HA PHE A 7 75.666 -35.087 2.019 1.00 1.00 H new ATOM 0 HB2 PHE A 7 75.311 -34.487 4.985 1.00 1.00 H new ATOM 0 HB3 PHE A 7 74.245 -33.805 3.774 1.00 1.00 H new ATOM 0 HD1 PHE A 7 75.628 -37.059 5.010 1.00 1.00 H new ATOM 0 HD2 PHE A 7 72.476 -35.096 2.850 1.00 1.00 H new ATOM 0 HE1 PHE A 7 74.358 -39.188 4.928 1.00 1.00 H new ATOM 0 HE2 PHE A 7 71.206 -37.223 2.771 1.00 1.00 H new ATOM 0 HZ PHE A 7 72.145 -39.269 3.809 1.00 1.00 H new ATOM 96 N ASP A 8 77.763 -33.186 2.140 1.00 1.00 N ATOM 97 CA ASP A 8 78.378 -31.892 1.858 1.00 1.00 C ATOM 98 C ASP A 8 78.674 -31.754 0.368 1.00 1.00 C ATOM 99 O ASP A 8 79.727 -31.248 -0.022 1.00 1.00 O ATOM 100 CB ASP A 8 79.676 -31.750 2.653 1.00 1.00 C ATOM 101 CG ASP A 8 80.787 -32.556 1.990 1.00 1.00 C ATOM 102 OD1 ASP A 8 80.468 -33.485 1.267 1.00 1.00 O ATOM 103 OD2 ASP A 8 81.942 -32.232 2.213 1.00 1.00 O ATOM 0 H ASP A 8 78.321 -33.991 1.854 1.00 1.00 H new ATOM 0 HA ASP A 8 77.683 -31.106 2.153 1.00 1.00 H new ATOM 0 HB2 ASP A 8 79.963 -30.700 2.711 1.00 1.00 H new ATOM 0 HB3 ASP A 8 79.525 -32.096 3.675 1.00 1.00 H new ATOM 108 N ASN A 9 77.739 -32.207 -0.460 1.00 1.00 N ATOM 109 CA ASN A 9 77.909 -32.128 -1.906 1.00 1.00 C ATOM 110 C ASN A 9 76.556 -32.178 -2.608 1.00 1.00 C ATOM 111 O ASN A 9 75.877 -33.203 -2.596 1.00 1.00 O ATOM 112 CB ASN A 9 78.782 -33.287 -2.393 1.00 1.00 C ATOM 113 CG ASN A 9 80.214 -32.808 -2.602 1.00 1.00 C ATOM 114 OD1 ASN A 9 81.151 -33.390 -2.055 1.00 1.00 O ATOM 115 ND2 ASN A 9 80.442 -31.775 -3.367 1.00 1.00 N ATOM 0 H ASN A 9 76.861 -32.630 -0.157 1.00 1.00 H new ATOM 0 HA ASN A 9 78.395 -31.182 -2.145 1.00 1.00 H new ATOM 0 HB2 ASN A 9 78.764 -34.098 -1.665 1.00 1.00 H new ATOM 0 HB3 ASN A 9 78.384 -33.687 -3.326 1.00 1.00 H new ATOM 0 HD21 ASN A 9 81.398 -31.449 -3.512 1.00 1.00 H new ATOM 0 HD22 ASN A 9 79.665 -31.294 -3.819 1.00 1.00 H new ATOM 122 N TYR A 10 76.171 -31.062 -3.220 1.00 1.00 N ATOM 123 CA TYR A 10 74.896 -30.989 -3.924 1.00 1.00 C ATOM 124 C TYR A 10 73.790 -31.641 -3.100 1.00 1.00 C ATOM 125 O TYR A 10 72.774 -32.074 -3.641 1.00 1.00 O ATOM 126 CB TYR A 10 75.008 -31.692 -5.279 1.00 1.00 C ATOM 127 CG TYR A 10 74.225 -30.920 -6.313 1.00 1.00 C ATOM 128 CD1 TYR A 10 74.847 -29.904 -7.048 1.00 1.00 C ATOM 129 CD2 TYR A 10 72.875 -31.219 -6.537 1.00 1.00 C ATOM 130 CE1 TYR A 10 74.121 -29.189 -8.007 1.00 1.00 C ATOM 131 CE2 TYR A 10 72.149 -30.504 -7.496 1.00 1.00 C ATOM 132 CZ TYR A 10 72.771 -29.488 -8.231 1.00 1.00 C ATOM 133 OH TYR A 10 72.055 -28.783 -9.176 1.00 1.00 O ATOM 0 H TYR A 10 76.719 -30.202 -3.243 1.00 1.00 H new ATOM 0 HA TYR A 10 74.647 -29.939 -4.078 1.00 1.00 H new ATOM 0 HB2 TYR A 10 76.054 -31.764 -5.578 1.00 1.00 H new ATOM 0 HB3 TYR A 10 74.627 -32.711 -5.205 1.00 1.00 H new ATOM 0 HD1 TYR A 10 75.887 -29.672 -6.875 1.00 1.00 H new ATOM 0 HD2 TYR A 10 72.394 -32.002 -5.969 1.00 1.00 H new ATOM 0 HE1 TYR A 10 74.602 -28.406 -8.575 1.00 1.00 H new ATOM 0 HE2 TYR A 10 71.109 -30.736 -7.669 1.00 1.00 H new ATOM 0 HH TYR A 10 71.134 -29.118 -9.206 1.00 1.00 H new ATOM 143 N TYR A 11 73.997 -31.706 -1.789 1.00 1.00 N ATOM 144 CA TYR A 11 73.010 -32.306 -0.899 1.00 1.00 C ATOM 145 C TYR A 11 72.882 -31.495 0.385 1.00 1.00 C ATOM 146 O TYR A 11 73.740 -31.568 1.266 1.00 1.00 O ATOM 147 CB TYR A 11 73.419 -33.741 -0.559 1.00 1.00 C ATOM 148 CG TYR A 11 72.595 -34.706 -1.379 1.00 1.00 C ATOM 149 CD1 TYR A 11 73.044 -35.115 -2.640 1.00 1.00 C ATOM 150 CD2 TYR A 11 71.382 -35.192 -0.876 1.00 1.00 C ATOM 151 CE1 TYR A 11 72.280 -36.010 -3.398 1.00 1.00 C ATOM 152 CE2 TYR A 11 70.617 -36.087 -1.635 1.00 1.00 C ATOM 153 CZ TYR A 11 71.067 -36.496 -2.896 1.00 1.00 C ATOM 154 OH TYR A 11 70.314 -37.377 -3.644 1.00 1.00 O ATOM 0 H TYR A 11 74.833 -31.354 -1.322 1.00 1.00 H new ATOM 0 HA TYR A 11 72.046 -32.313 -1.408 1.00 1.00 H new ATOM 0 HB2 TYR A 11 74.480 -33.887 -0.764 1.00 1.00 H new ATOM 0 HB3 TYR A 11 73.270 -33.931 0.504 1.00 1.00 H new ATOM 0 HD1 TYR A 11 73.980 -34.740 -3.028 1.00 1.00 H new ATOM 0 HD2 TYR A 11 71.036 -34.877 0.097 1.00 1.00 H new ATOM 0 HE1 TYR A 11 72.627 -36.326 -4.371 1.00 1.00 H new ATOM 0 HE2 TYR A 11 69.681 -36.461 -1.248 1.00 1.00 H new ATOM 0 HH TYR A 11 69.503 -37.616 -3.149 1.00 1.00 H new ATOM 164 N GLY A 12 71.807 -30.721 0.486 1.00 1.00 N ATOM 165 CA GLY A 12 71.577 -29.898 1.669 1.00 1.00 C ATOM 166 C GLY A 12 71.032 -28.528 1.282 1.00 1.00 C ATOM 167 O GLY A 12 70.216 -27.949 1.999 1.00 1.00 O ATOM 0 H GLY A 12 71.085 -30.646 -0.231 1.00 1.00 H new ATOM 0 HA2 GLY A 12 70.873 -30.399 2.334 1.00 1.00 H new ATOM 0 HA3 GLY A 12 72.509 -29.780 2.222 1.00 1.00 H new ATOM 171 N ALA A 13 71.488 -28.016 0.143 1.00 1.00 N ATOM 172 CA ALA A 13 71.038 -26.711 -0.329 1.00 1.00 C ATOM 173 C ALA A 13 71.682 -26.376 -1.670 1.00 1.00 C ATOM 174 O ALA A 13 71.080 -26.575 -2.726 1.00 1.00 O ATOM 175 CB ALA A 13 71.397 -25.632 0.695 1.00 1.00 C ATOM 0 H ALA A 13 72.163 -28.480 -0.465 1.00 1.00 H new ATOM 0 HA ALA A 13 69.956 -26.745 -0.456 1.00 1.00 H new ATOM 0 HB1 ALA A 13 71.057 -24.661 0.335 1.00 1.00 H new ATOM 0 HB2 ALA A 13 70.912 -25.856 1.645 1.00 1.00 H new ATOM 0 HB3 ALA A 13 72.478 -25.609 0.836 1.00 1.00 H new ATOM 181 N ASP A 14 72.909 -25.868 -1.622 1.00 1.00 N ATOM 182 CA ASP A 14 73.625 -25.509 -2.841 1.00 1.00 C ATOM 183 C ASP A 14 72.750 -24.642 -3.740 1.00 1.00 C ATOM 184 O ASP A 14 72.945 -24.598 -4.956 1.00 1.00 O ATOM 185 CB ASP A 14 74.040 -26.774 -3.594 1.00 1.00 C ATOM 186 CG ASP A 14 75.472 -26.632 -4.101 1.00 1.00 C ATOM 187 OD1 ASP A 14 75.657 -25.987 -5.120 1.00 1.00 O ATOM 188 OD2 ASP A 14 76.362 -27.170 -3.463 1.00 1.00 O ATOM 0 H ASP A 14 73.425 -25.697 -0.759 1.00 1.00 H new ATOM 0 HA ASP A 14 74.515 -24.943 -2.565 1.00 1.00 H new ATOM 0 HB2 ASP A 14 73.962 -27.640 -2.937 1.00 1.00 H new ATOM 0 HB3 ASP A 14 73.364 -26.947 -4.432 1.00 1.00 H new ATOM 193 N ASN A 15 71.787 -23.955 -3.136 1.00 1.00 N ATOM 194 CA ASN A 15 70.887 -23.092 -3.894 1.00 1.00 C ATOM 195 C ASN A 15 70.559 -21.832 -3.101 1.00 1.00 C ATOM 196 O ASN A 15 69.397 -21.557 -2.804 1.00 1.00 O ATOM 197 CB ASN A 15 69.595 -23.843 -4.220 1.00 1.00 C ATOM 198 CG ASN A 15 69.099 -24.588 -2.985 1.00 1.00 C ATOM 199 OD1 ASN A 15 69.060 -24.023 -1.892 1.00 1.00 O ATOM 200 ND2 ASN A 15 68.716 -25.831 -3.094 1.00 1.00 N ATOM 0 H ASN A 15 71.610 -23.978 -2.132 1.00 1.00 H new ATOM 0 HA ASN A 15 71.384 -22.805 -4.821 1.00 1.00 H new ATOM 0 HB2 ASN A 15 68.834 -23.142 -4.562 1.00 1.00 H new ATOM 0 HB3 ASN A 15 69.769 -24.547 -5.034 1.00 1.00 H new ATOM 0 HD21 ASN A 15 68.384 -26.336 -2.273 1.00 1.00 H new ATOM 0 HD22 ASN A 15 68.749 -26.297 -4.001 1.00 1.00 H new ATOM 207 N GLN A 16 71.593 -21.068 -2.761 1.00 1.00 N ATOM 208 CA GLN A 16 71.402 -19.837 -2.002 1.00 1.00 C ATOM 209 C GLN A 16 70.556 -18.845 -2.792 1.00 1.00 C ATOM 210 O GLN A 16 69.595 -18.280 -2.269 1.00 1.00 O ATOM 211 CB GLN A 16 72.760 -19.209 -1.678 1.00 1.00 C ATOM 212 CG GLN A 16 73.718 -20.291 -1.180 1.00 1.00 C ATOM 213 CD GLN A 16 74.708 -20.657 -2.281 1.00 1.00 C ATOM 214 OE1 GLN A 16 75.334 -19.777 -2.872 1.00 1.00 O ATOM 215 NE2 GLN A 16 74.888 -21.911 -2.593 1.00 1.00 N ATOM 0 H GLN A 16 72.563 -21.277 -2.997 1.00 1.00 H new ATOM 0 HA GLN A 16 70.883 -20.080 -1.075 1.00 1.00 H new ATOM 0 HB2 GLN A 16 73.170 -18.726 -2.565 1.00 1.00 H new ATOM 0 HB3 GLN A 16 72.643 -18.435 -0.919 1.00 1.00 H new ATOM 0 HG2 GLN A 16 74.255 -19.936 -0.300 1.00 1.00 H new ATOM 0 HG3 GLN A 16 73.156 -21.174 -0.876 1.00 1.00 H new ATOM 0 HE21 GLN A 16 74.368 -22.638 -2.102 1.00 1.00 H new ATOM 0 HE22 GLN A 16 75.549 -22.164 -3.328 1.00 1.00 H new ATOM 224 N SER A 17 70.919 -18.639 -4.053 1.00 1.00 N ATOM 225 CA SER A 17 70.184 -17.712 -4.907 1.00 1.00 C ATOM 226 C SER A 17 70.051 -18.274 -6.318 1.00 1.00 C ATOM 227 O SER A 17 69.572 -17.594 -7.226 1.00 1.00 O ATOM 228 CB SER A 17 70.906 -16.366 -4.959 1.00 1.00 C ATOM 229 OG SER A 17 71.739 -16.236 -3.815 1.00 1.00 O ATOM 0 H SER A 17 71.711 -19.097 -4.504 1.00 1.00 H new ATOM 0 HA SER A 17 69.187 -17.574 -4.488 1.00 1.00 H new ATOM 0 HB2 SER A 17 71.503 -16.295 -5.868 1.00 1.00 H new ATOM 0 HB3 SER A 17 70.181 -15.552 -4.990 1.00 1.00 H new ATOM 0 HG SER A 17 72.205 -15.374 -3.846 1.00 1.00 H new ATOM 235 N GLU A 18 70.477 -19.520 -6.496 1.00 1.00 N ATOM 236 CA GLU A 18 70.401 -20.165 -7.802 1.00 1.00 C ATOM 237 C GLU A 18 69.022 -20.783 -8.015 1.00 1.00 C ATOM 238 O GLU A 18 68.806 -21.959 -7.720 1.00 1.00 O ATOM 239 CB GLU A 18 71.471 -21.252 -7.912 1.00 1.00 C ATOM 240 CG GLU A 18 71.658 -21.640 -9.380 1.00 1.00 C ATOM 241 CD GLU A 18 72.264 -23.034 -9.479 1.00 1.00 C ATOM 242 OE1 GLU A 18 72.861 -23.470 -8.507 1.00 1.00 O ATOM 243 OE2 GLU A 18 72.123 -23.649 -10.523 1.00 1.00 O ATOM 0 H GLU A 18 70.876 -20.100 -5.758 1.00 1.00 H new ATOM 0 HA GLU A 18 70.571 -19.410 -8.569 1.00 1.00 H new ATOM 0 HB2 GLU A 18 72.413 -20.893 -7.497 1.00 1.00 H new ATOM 0 HB3 GLU A 18 71.178 -22.125 -7.329 1.00 1.00 H new ATOM 0 HG2 GLU A 18 70.698 -21.615 -9.896 1.00 1.00 H new ATOM 0 HG3 GLU A 18 72.306 -20.917 -9.876 1.00 1.00 H new ATOM 250 N CYS A 19 68.094 -19.983 -8.528 1.00 1.00 N ATOM 251 CA CYS A 19 66.738 -20.462 -8.776 1.00 1.00 C ATOM 252 C CYS A 19 65.889 -19.363 -9.406 1.00 1.00 C ATOM 253 O CYS A 19 64.849 -18.983 -8.868 1.00 1.00 O ATOM 254 CB CYS A 19 66.097 -20.916 -7.464 1.00 1.00 C ATOM 255 SG CYS A 19 66.504 -19.735 -6.153 1.00 1.00 S ATOM 0 H CYS A 19 68.253 -19.007 -8.779 1.00 1.00 H new ATOM 0 HA CYS A 19 66.790 -21.305 -9.465 1.00 1.00 H new ATOM 0 HB2 CYS A 19 65.016 -20.988 -7.581 1.00 1.00 H new ATOM 0 HB3 CYS A 19 66.455 -21.910 -7.197 1.00 1.00 H new ATOM 0 HG CYS A 19 65.958 -20.119 -5.038 1.00 1.00 H new ATOM 261 N GLU A 20 66.338 -18.859 -10.551 1.00 1.00 N ATOM 262 CA GLU A 20 65.611 -17.804 -11.248 1.00 1.00 C ATOM 263 C GLU A 20 64.733 -18.394 -12.347 1.00 1.00 C ATOM 264 O GLU A 20 63.914 -17.694 -12.944 1.00 1.00 O ATOM 265 CB GLU A 20 66.596 -16.805 -11.858 1.00 1.00 C ATOM 266 CG GLU A 20 65.824 -15.736 -12.633 1.00 1.00 C ATOM 267 CD GLU A 20 66.544 -14.396 -12.530 1.00 1.00 C ATOM 268 OE1 GLU A 20 66.847 -13.993 -11.418 1.00 1.00 O ATOM 269 OE2 GLU A 20 66.782 -13.791 -13.562 1.00 1.00 O ATOM 0 H GLU A 20 67.196 -19.161 -11.013 1.00 1.00 H new ATOM 0 HA GLU A 20 64.974 -17.291 -10.528 1.00 1.00 H new ATOM 0 HB2 GLU A 20 67.192 -16.340 -11.073 1.00 1.00 H new ATOM 0 HB3 GLU A 20 67.290 -17.321 -12.522 1.00 1.00 H new ATOM 0 HG2 GLU A 20 65.731 -16.029 -13.679 1.00 1.00 H new ATOM 0 HG3 GLU A 20 64.813 -15.646 -12.236 1.00 1.00 H new ATOM 276 N TYR A 21 64.912 -19.684 -12.611 1.00 1.00 N ATOM 277 CA TYR A 21 64.131 -20.358 -13.642 1.00 1.00 C ATOM 278 C TYR A 21 62.669 -19.926 -13.576 1.00 1.00 C ATOM 279 O TYR A 21 62.163 -19.273 -14.488 1.00 1.00 O ATOM 280 CB TYR A 21 64.224 -21.874 -13.462 1.00 1.00 C ATOM 281 CG TYR A 21 65.383 -22.407 -14.269 1.00 1.00 C ATOM 282 CD1 TYR A 21 65.229 -22.646 -15.640 1.00 1.00 C ATOM 283 CD2 TYR A 21 66.611 -22.662 -13.648 1.00 1.00 C ATOM 284 CE1 TYR A 21 66.304 -23.139 -16.390 1.00 1.00 C ATOM 285 CE2 TYR A 21 67.686 -23.155 -14.397 1.00 1.00 C ATOM 286 CZ TYR A 21 67.532 -23.395 -15.769 1.00 1.00 C ATOM 287 OH TYR A 21 68.591 -23.881 -16.507 1.00 1.00 O ATOM 0 H TYR A 21 65.585 -20.280 -12.130 1.00 1.00 H new ATOM 0 HA TYR A 21 64.537 -20.082 -14.615 1.00 1.00 H new ATOM 0 HB2 TYR A 21 64.358 -22.118 -12.408 1.00 1.00 H new ATOM 0 HB3 TYR A 21 63.296 -22.347 -13.783 1.00 1.00 H new ATOM 0 HD1 TYR A 21 64.281 -22.450 -16.119 1.00 1.00 H new ATOM 0 HD2 TYR A 21 66.729 -22.478 -12.590 1.00 1.00 H new ATOM 0 HE1 TYR A 21 66.185 -23.322 -17.448 1.00 1.00 H new ATOM 0 HE2 TYR A 21 68.634 -23.350 -13.918 1.00 1.00 H new ATOM 0 HH TYR A 21 69.369 -24.002 -15.923 1.00 1.00 H new ATOM 297 N THR A 22 61.997 -20.295 -12.490 1.00 1.00 N ATOM 298 CA THR A 22 60.593 -19.939 -12.315 1.00 1.00 C ATOM 299 C THR A 22 60.280 -19.700 -10.842 1.00 1.00 C ATOM 300 O THR A 22 59.116 -19.613 -10.451 1.00 1.00 O ATOM 301 CB THR A 22 59.700 -21.058 -12.854 1.00 1.00 C ATOM 302 OG1 THR A 22 60.019 -22.275 -12.195 1.00 1.00 O ATOM 303 CG2 THR A 22 59.927 -21.215 -14.359 1.00 1.00 C ATOM 0 H THR A 22 62.398 -20.836 -11.724 1.00 1.00 H new ATOM 0 HA THR A 22 60.399 -19.021 -12.869 1.00 1.00 H new ATOM 0 HB THR A 22 58.655 -20.809 -12.671 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.446 -22.993 -12.538 1.00 1.00 H new ATOM 0 HG21 THR A 22 59.290 -22.013 -14.742 1.00 1.00 H new ATOM 0 HG22 THR A 22 59.681 -20.281 -14.863 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.972 -21.464 -14.545 1.00 1.00 H new ATOM 311 N ASP A 23 61.327 -19.596 -10.029 1.00 1.00 N ATOM 312 CA ASP A 23 61.151 -19.368 -8.600 1.00 1.00 C ATOM 313 C ASP A 23 61.402 -17.904 -8.255 1.00 1.00 C ATOM 314 O ASP A 23 61.594 -17.554 -7.091 1.00 1.00 O ATOM 315 CB ASP A 23 62.115 -20.254 -7.808 1.00 1.00 C ATOM 316 CG ASP A 23 61.331 -21.265 -6.976 1.00 1.00 C ATOM 317 OD1 ASP A 23 60.471 -20.841 -6.222 1.00 1.00 O ATOM 318 OD2 ASP A 23 61.603 -22.446 -7.107 1.00 1.00 O ATOM 0 H ASP A 23 62.298 -19.665 -10.333 1.00 1.00 H new ATOM 0 HA ASP A 23 60.124 -19.620 -8.335 1.00 1.00 H new ATOM 0 HB2 ASP A 23 62.787 -20.775 -8.490 1.00 1.00 H new ATOM 0 HB3 ASP A 23 62.736 -19.639 -7.157 1.00 1.00 H new ATOM 323 N TRP A 24 61.401 -17.052 -9.276 1.00 1.00 N ATOM 324 CA TRP A 24 61.630 -15.627 -9.069 1.00 1.00 C ATOM 325 C TRP A 24 60.307 -14.898 -8.857 1.00 1.00 C ATOM 326 O TRP A 24 60.275 -13.671 -8.742 1.00 1.00 O ATOM 327 CB TRP A 24 62.355 -15.033 -10.277 1.00 1.00 C ATOM 328 CG TRP A 24 61.458 -15.083 -11.471 1.00 1.00 C ATOM 329 CD1 TRP A 24 61.161 -16.201 -12.175 1.00 1.00 C ATOM 330 CD2 TRP A 24 60.736 -13.992 -12.113 1.00 1.00 C ATOM 331 NE1 TRP A 24 60.304 -15.865 -13.207 1.00 1.00 N ATOM 332 CE2 TRP A 24 60.012 -14.515 -13.212 1.00 1.00 C ATOM 333 CE3 TRP A 24 60.640 -12.614 -11.853 1.00 1.00 C ATOM 334 CZ2 TRP A 24 59.222 -13.700 -14.022 1.00 1.00 C ATOM 335 CZ3 TRP A 24 59.845 -11.789 -12.667 1.00 1.00 C ATOM 336 CH2 TRP A 24 59.138 -12.332 -13.749 1.00 1.00 C ATOM 0 H TRP A 24 61.245 -17.321 -10.247 1.00 1.00 H new ATOM 0 HA TRP A 24 62.247 -15.503 -8.179 1.00 1.00 H new ATOM 0 HB2 TRP A 24 62.645 -14.003 -10.070 1.00 1.00 H new ATOM 0 HB3 TRP A 24 63.272 -15.589 -10.474 1.00 1.00 H new ATOM 0 HD1 TRP A 24 61.533 -17.193 -11.965 1.00 1.00 H new ATOM 0 HE1 TRP A 24 59.933 -16.533 -13.882 1.00 1.00 H new ATOM 0 HE3 TRP A 24 61.181 -12.186 -11.022 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 58.679 -14.123 -14.854 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 59.778 -10.732 -12.458 1.00 1.00 H new ATOM 0 HH2 TRP A 24 58.529 -11.693 -14.371 1.00 1.00 H new ATOM 347 N LYS A 25 59.218 -15.657 -8.807 1.00 1.00 N ATOM 348 CA LYS A 25 57.898 -15.071 -8.610 1.00 1.00 C ATOM 349 C LYS A 25 56.968 -16.064 -7.918 1.00 1.00 C ATOM 350 O LYS A 25 55.750 -15.887 -7.910 1.00 1.00 O ATOM 351 CB LYS A 25 57.296 -14.658 -9.957 1.00 1.00 C ATOM 352 CG LYS A 25 57.725 -15.648 -11.044 1.00 1.00 C ATOM 353 CD LYS A 25 57.318 -17.067 -10.640 1.00 1.00 C ATOM 354 CE LYS A 25 57.367 -17.980 -11.866 1.00 1.00 C ATOM 355 NZ LYS A 25 56.405 -17.485 -12.892 1.00 1.00 N ATOM 0 H LYS A 25 59.223 -16.673 -8.900 1.00 1.00 H new ATOM 0 HA LYS A 25 58.007 -14.189 -7.978 1.00 1.00 H new ATOM 0 HB2 LYS A 25 56.209 -14.631 -9.886 1.00 1.00 H new ATOM 0 HB3 LYS A 25 57.624 -13.652 -10.219 1.00 1.00 H new ATOM 0 HG2 LYS A 25 57.261 -15.383 -11.994 1.00 1.00 H new ATOM 0 HG3 LYS A 25 58.804 -15.597 -11.191 1.00 1.00 H new ATOM 0 HD2 LYS A 25 57.988 -17.443 -9.867 1.00 1.00 H new ATOM 0 HD3 LYS A 25 56.314 -17.062 -10.217 1.00 1.00 H new ATOM 0 HE2 LYS A 25 58.376 -18.000 -12.278 1.00 1.00 H new ATOM 0 HE3 LYS A 25 57.118 -19.002 -11.582 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 56.051 -18.287 -13.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 55.607 -17.013 -12.421 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 56.885 -16.809 -13.520 1.00 1.00 H new ATOM 369 N SER A 26 57.552 -17.109 -7.338 1.00 1.00 N ATOM 370 CA SER A 26 56.766 -18.123 -6.646 1.00 1.00 C ATOM 371 C SER A 26 56.800 -17.892 -5.139 1.00 1.00 C ATOM 372 O SER A 26 55.762 -17.891 -4.478 1.00 1.00 O ATOM 373 CB SER A 26 57.313 -19.515 -6.963 1.00 1.00 C ATOM 374 OG SER A 26 56.237 -20.440 -7.021 1.00 1.00 O ATOM 0 H SER A 26 58.559 -17.274 -7.334 1.00 1.00 H new ATOM 0 HA SER A 26 55.734 -18.052 -6.990 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.847 -19.501 -7.913 1.00 1.00 H new ATOM 0 HB3 SER A 26 58.029 -19.820 -6.200 1.00 1.00 H new ATOM 0 HG SER A 26 56.584 -21.333 -7.226 1.00 1.00 H new ATOM 380 N SER A 27 58.000 -17.697 -4.603 1.00 1.00 N ATOM 381 CA SER A 27 58.158 -17.465 -3.171 1.00 1.00 C ATOM 382 C SER A 27 57.989 -15.984 -2.846 1.00 1.00 C ATOM 383 O SER A 27 58.562 -15.483 -1.879 1.00 1.00 O ATOM 384 CB SER A 27 59.540 -17.935 -2.716 1.00 1.00 C ATOM 385 OG SER A 27 60.537 -17.247 -3.459 1.00 1.00 O ATOM 0 H SER A 27 58.871 -17.695 -5.133 1.00 1.00 H new ATOM 0 HA SER A 27 57.390 -18.031 -2.643 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.669 -17.746 -1.650 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.638 -19.011 -2.863 1.00 1.00 H new ATOM 0 HG SER A 27 61.425 -17.544 -3.169 1.00 1.00 H new ATOM 391 N GLY A 28 57.201 -15.291 -3.661 1.00 1.00 N ATOM 392 CA GLY A 28 56.965 -13.867 -3.450 1.00 1.00 C ATOM 393 C GLY A 28 55.500 -13.517 -3.685 1.00 1.00 C ATOM 394 O GLY A 28 55.115 -12.349 -3.636 1.00 1.00 O ATOM 0 H GLY A 28 56.718 -15.688 -4.467 1.00 1.00 H new ATOM 0 HA2 GLY A 28 57.250 -13.594 -2.434 1.00 1.00 H new ATOM 0 HA3 GLY A 28 57.594 -13.286 -4.124 1.00 1.00 H new ATOM 398 N ALA A 29 54.687 -14.537 -3.940 1.00 1.00 N ATOM 399 CA ALA A 29 53.263 -14.325 -4.180 1.00 1.00 C ATOM 400 C ALA A 29 52.457 -14.629 -2.922 1.00 1.00 C ATOM 401 O ALA A 29 51.246 -14.408 -2.883 1.00 1.00 O ATOM 402 CB ALA A 29 52.787 -15.223 -5.323 1.00 1.00 C ATOM 0 H ALA A 29 54.986 -15.511 -3.986 1.00 1.00 H new ATOM 0 HA ALA A 29 53.111 -13.280 -4.452 1.00 1.00 H new ATOM 0 HB1 ALA A 29 51.723 -15.059 -5.496 1.00 1.00 H new ATOM 0 HB2 ALA A 29 53.343 -14.984 -6.229 1.00 1.00 H new ATOM 0 HB3 ALA A 29 52.955 -16.267 -5.059 1.00 1.00 H new ATOM 408 N LEU A 30 53.137 -15.138 -1.898 1.00 1.00 N ATOM 409 CA LEU A 30 52.478 -15.472 -0.639 1.00 1.00 C ATOM 410 C LEU A 30 52.899 -14.501 0.461 1.00 1.00 C ATOM 411 O LEU A 30 52.238 -14.397 1.494 1.00 1.00 O ATOM 412 CB LEU A 30 52.841 -16.900 -0.226 1.00 1.00 C ATOM 413 CG LEU A 30 52.678 -17.836 -1.425 1.00 1.00 C ATOM 414 CD1 LEU A 30 52.961 -19.275 -0.992 1.00 1.00 C ATOM 415 CD2 LEU A 30 51.247 -17.736 -1.957 1.00 1.00 C ATOM 0 H LEU A 30 54.139 -15.327 -1.915 1.00 1.00 H new ATOM 0 HA LEU A 30 51.400 -15.396 -0.782 1.00 1.00 H new ATOM 0 HB2 LEU A 30 53.868 -16.934 0.139 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.201 -17.227 0.593 1.00 1.00 H new ATOM 0 HG LEU A 30 53.379 -17.549 -2.208 1.00 1.00 H new ATOM 0 HD11 LEU A 30 52.845 -19.942 -1.847 1.00 1.00 H new ATOM 0 HD12 LEU A 30 53.980 -19.347 -0.612 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.260 -19.564 -0.209 1.00 1.00 H new ATOM 0 HD21 LEU A 30 51.129 -18.402 -2.811 1.00 1.00 H new ATOM 0 HD22 LEU A 30 50.546 -18.024 -1.173 1.00 1.00 H new ATOM 0 HD23 LEU A 30 51.045 -16.711 -2.266 1.00 1.00 H new ATOM 427 N ILE A 31 54.001 -13.795 0.231 1.00 1.00 N ATOM 428 CA ILE A 31 54.499 -12.838 1.210 1.00 1.00 C ATOM 429 C ILE A 31 53.644 -11.565 1.221 1.00 1.00 C ATOM 430 O ILE A 31 53.369 -11.013 2.286 1.00 1.00 O ATOM 431 CB ILE A 31 55.977 -12.513 0.916 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.861 -13.287 1.897 1.00 1.00 C ATOM 433 CG2 ILE A 31 56.258 -11.012 1.071 1.00 1.00 C ATOM 434 CD1 ILE A 31 56.558 -14.782 1.787 1.00 1.00 C ATOM 0 H ILE A 31 54.562 -13.867 -0.618 1.00 1.00 H new ATOM 0 HA ILE A 31 54.430 -13.283 2.202 1.00 1.00 H new ATOM 0 HB ILE A 31 56.195 -12.801 -0.112 1.00 1.00 H new ATOM 0 HG12 ILE A 31 57.913 -13.101 1.679 1.00 1.00 H new ATOM 0 HG13 ILE A 31 56.681 -12.943 2.915 1.00 1.00 H new ATOM 0 HG21 ILE A 31 57.308 -10.814 0.857 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.634 -10.451 0.375 1.00 1.00 H new ATOM 0 HG23 ILE A 31 56.031 -10.703 2.091 1.00 1.00 H new ATOM 0 HD11 ILE A 31 57.188 -15.333 2.486 1.00 1.00 H new ATOM 0 HD12 ILE A 31 55.509 -14.959 2.026 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.761 -15.121 0.771 1.00 1.00 H new ATOM 446 N PRO A 32 53.221 -11.087 0.074 1.00 1.00 N ATOM 447 CA PRO A 32 52.390 -9.861 -0.020 1.00 1.00 C ATOM 448 C PRO A 32 50.900 -10.162 0.124 1.00 1.00 C ATOM 449 O PRO A 32 50.066 -9.256 0.085 1.00 1.00 O ATOM 450 CB PRO A 32 52.711 -9.331 -1.415 1.00 1.00 C ATOM 451 CG PRO A 32 53.085 -10.531 -2.232 1.00 1.00 C ATOM 452 CD PRO A 32 53.479 -11.652 -1.259 1.00 1.00 C ATOM 0 HA PRO A 32 52.607 -9.149 0.776 1.00 1.00 H new ATOM 0 HB2 PRO A 32 51.851 -8.817 -1.845 1.00 1.00 H new ATOM 0 HB3 PRO A 32 53.528 -8.611 -1.381 1.00 1.00 H new ATOM 0 HG2 PRO A 32 52.249 -10.844 -2.858 1.00 1.00 H new ATOM 0 HG3 PRO A 32 53.913 -10.296 -2.901 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.889 -12.552 -1.430 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.526 -11.930 -1.377 1.00 1.00 H new ATOM 460 N ALA A 33 50.574 -11.440 0.290 1.00 1.00 N ATOM 461 CA ALA A 33 49.183 -11.850 0.440 1.00 1.00 C ATOM 462 C ALA A 33 48.837 -12.042 1.914 1.00 1.00 C ATOM 463 O ALA A 33 47.781 -12.580 2.248 1.00 1.00 O ATOM 464 CB ALA A 33 48.939 -13.156 -0.318 1.00 1.00 C ATOM 0 H ALA A 33 51.249 -12.204 0.324 1.00 1.00 H new ATOM 0 HA ALA A 33 48.546 -11.067 0.028 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.898 -13.456 -0.201 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.158 -13.009 -1.376 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.588 -13.935 0.082 1.00 1.00 H new ATOM 470 N ILE A 34 49.733 -11.599 2.789 1.00 1.00 N ATOM 471 CA ILE A 34 49.513 -11.727 4.225 1.00 1.00 C ATOM 472 C ILE A 34 49.928 -10.449 4.946 1.00 1.00 C ATOM 473 O ILE A 34 49.293 -10.039 5.918 1.00 1.00 O ATOM 474 CB ILE A 34 50.315 -12.908 4.773 1.00 1.00 C ATOM 475 CG1 ILE A 34 50.047 -14.148 3.916 1.00 1.00 C ATOM 476 CG2 ILE A 34 49.894 -13.187 6.217 1.00 1.00 C ATOM 477 CD1 ILE A 34 50.858 -15.328 4.455 1.00 1.00 C ATOM 0 H ILE A 34 50.613 -11.151 2.532 1.00 1.00 H new ATOM 0 HA ILE A 34 48.451 -11.899 4.397 1.00 1.00 H new ATOM 0 HB ILE A 34 51.378 -12.668 4.745 1.00 1.00 H new ATOM 0 HG12 ILE A 34 48.984 -14.388 3.928 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.317 -13.951 2.879 1.00 1.00 H new ATOM 0 HG21 ILE A 34 50.466 -14.029 6.607 1.00 1.00 H new ATOM 0 HG22 ILE A 34 50.084 -12.305 6.828 1.00 1.00 H new ATOM 0 HG23 ILE A 34 48.831 -13.426 6.246 1.00 1.00 H new ATOM 0 HD11 ILE A 34 50.667 -16.210 3.844 1.00 1.00 H new ATOM 0 HD12 ILE A 34 51.920 -15.086 4.420 1.00 1.00 H new ATOM 0 HD13 ILE A 34 50.566 -15.530 5.486 1.00 1.00 H new ATOM 489 N TYR A 35 50.997 -9.824 4.463 1.00 1.00 N ATOM 490 CA TYR A 35 51.487 -8.592 5.070 1.00 1.00 C ATOM 491 C TYR A 35 50.532 -7.437 4.787 1.00 1.00 C ATOM 492 O TYR A 35 50.790 -6.296 5.171 1.00 1.00 O ATOM 493 CB TYR A 35 52.875 -8.255 4.519 1.00 1.00 C ATOM 494 CG TYR A 35 53.931 -8.751 5.475 1.00 1.00 C ATOM 495 CD1 TYR A 35 54.375 -7.927 6.516 1.00 1.00 C ATOM 496 CD2 TYR A 35 54.469 -10.034 5.321 1.00 1.00 C ATOM 497 CE1 TYR A 35 55.356 -8.387 7.403 1.00 1.00 C ATOM 498 CE2 TYR A 35 55.450 -10.494 6.208 1.00 1.00 C ATOM 499 CZ TYR A 35 55.893 -9.670 7.249 1.00 1.00 C ATOM 500 OH TYR A 35 56.860 -10.124 8.123 1.00 1.00 O ATOM 0 H TYR A 35 51.537 -10.147 3.660 1.00 1.00 H new ATOM 0 HA TYR A 35 51.549 -8.741 6.148 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.011 -8.715 3.540 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.971 -7.178 4.381 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.961 -6.937 6.635 1.00 1.00 H new ATOM 0 HD2 TYR A 35 54.127 -10.670 4.517 1.00 1.00 H new ATOM 0 HE1 TYR A 35 55.698 -7.751 8.206 1.00 1.00 H new ATOM 0 HE2 TYR A 35 55.865 -11.484 6.089 1.00 1.00 H new ATOM 0 HH TYR A 35 57.124 -11.035 7.875 1.00 1.00 H new ATOM 510 N MET A 36 49.428 -7.742 4.113 1.00 1.00 N ATOM 511 CA MET A 36 48.438 -6.721 3.785 1.00 1.00 C ATOM 512 C MET A 36 47.248 -6.802 4.735 1.00 1.00 C ATOM 513 O MET A 36 46.885 -5.814 5.374 1.00 1.00 O ATOM 514 CB MET A 36 47.957 -6.906 2.344 1.00 1.00 C ATOM 515 CG MET A 36 49.145 -6.782 1.388 1.00 1.00 C ATOM 516 SD MET A 36 49.532 -5.033 1.130 1.00 1.00 S ATOM 517 CE MET A 36 51.318 -5.225 0.916 1.00 1.00 C ATOM 0 H MET A 36 49.197 -8.680 3.785 1.00 1.00 H new ATOM 0 HA MET A 36 48.905 -5.742 3.890 1.00 1.00 H new ATOM 0 HB2 MET A 36 47.485 -7.882 2.230 1.00 1.00 H new ATOM 0 HB3 MET A 36 47.203 -6.157 2.102 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.011 -7.300 1.799 1.00 1.00 H new ATOM 0 HG3 MET A 36 48.910 -7.258 0.436 1.00 1.00 H new ATOM 0 HE1 MET A 36 51.770 -4.249 0.741 1.00 1.00 H new ATOM 0 HE2 MET A 36 51.747 -5.667 1.815 1.00 1.00 H new ATOM 0 HE3 MET A 36 51.514 -5.874 0.063 1.00 1.00 H new ATOM 527 N LEU A 37 46.647 -7.983 4.823 1.00 1.00 N ATOM 528 CA LEU A 37 45.498 -8.181 5.699 1.00 1.00 C ATOM 529 C LEU A 37 45.946 -8.298 7.153 1.00 1.00 C ATOM 530 O LEU A 37 45.192 -8.757 8.010 1.00 1.00 O ATOM 531 CB LEU A 37 44.743 -9.448 5.293 1.00 1.00 C ATOM 532 CG LEU A 37 44.611 -9.499 3.770 1.00 1.00 C ATOM 533 CD1 LEU A 37 43.705 -10.665 3.374 1.00 1.00 C ATOM 534 CD2 LEU A 37 44.002 -8.188 3.268 1.00 1.00 C ATOM 0 H LEU A 37 46.933 -8.812 4.303 1.00 1.00 H new ATOM 0 HA LEU A 37 44.839 -7.318 5.602 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.273 -10.330 5.652 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.756 -9.459 5.755 1.00 1.00 H new ATOM 0 HG LEU A 37 45.596 -9.638 3.325 1.00 1.00 H new ATOM 0 HD11 LEU A 37 43.611 -10.701 2.289 1.00 1.00 H new ATOM 0 HD12 LEU A 37 44.137 -11.599 3.732 1.00 1.00 H new ATOM 0 HD13 LEU A 37 42.719 -10.527 3.819 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.907 -8.223 2.183 1.00 1.00 H new ATOM 0 HD22 LEU A 37 43.017 -8.050 3.714 1.00 1.00 H new ATOM 0 HD23 LEU A 37 44.647 -7.356 3.549 1.00 1.00 H new ATOM 546 N VAL A 38 47.180 -7.880 7.421 1.00 1.00 N ATOM 547 CA VAL A 38 47.718 -7.943 8.775 1.00 1.00 C ATOM 548 C VAL A 38 48.492 -6.670 9.104 1.00 1.00 C ATOM 549 O VAL A 38 48.048 -5.854 9.913 1.00 1.00 O ATOM 550 CB VAL A 38 48.642 -9.154 8.914 1.00 1.00 C ATOM 551 CG1 VAL A 38 49.108 -9.278 10.365 1.00 1.00 C ATOM 552 CG2 VAL A 38 47.884 -10.421 8.513 1.00 1.00 C ATOM 0 H VAL A 38 47.820 -7.498 6.725 1.00 1.00 H new ATOM 0 HA VAL A 38 46.886 -8.039 9.472 1.00 1.00 H new ATOM 0 HB VAL A 38 49.508 -9.026 8.265 1.00 1.00 H new ATOM 0 HG11 VAL A 38 49.766 -10.141 10.463 1.00 1.00 H new ATOM 0 HG12 VAL A 38 49.648 -8.376 10.652 1.00 1.00 H new ATOM 0 HG13 VAL A 38 48.243 -9.406 11.015 1.00 1.00 H new ATOM 0 HG21 VAL A 38 48.541 -11.285 8.612 1.00 1.00 H new ATOM 0 HG22 VAL A 38 47.018 -10.548 9.163 1.00 1.00 H new ATOM 0 HG23 VAL A 38 47.552 -10.334 7.479 1.00 1.00 H new ATOM 562 N PHE A 39 49.649 -6.507 8.471 1.00 1.00 N ATOM 563 CA PHE A 39 50.476 -5.329 8.704 1.00 1.00 C ATOM 564 C PHE A 39 49.626 -4.063 8.675 1.00 1.00 C ATOM 565 O PHE A 39 49.753 -3.197 9.542 1.00 1.00 O ATOM 566 CB PHE A 39 51.568 -5.238 7.638 1.00 1.00 C ATOM 567 CG PHE A 39 52.796 -4.586 8.228 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.719 -5.353 8.947 1.00 1.00 C ATOM 569 CD2 PHE A 39 53.011 -3.213 8.056 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.857 -4.749 9.493 1.00 1.00 C ATOM 571 CE2 PHE A 39 54.149 -2.608 8.603 1.00 1.00 C ATOM 572 CZ PHE A 39 55.072 -3.376 9.322 1.00 1.00 C ATOM 0 H PHE A 39 50.033 -7.170 7.798 1.00 1.00 H new ATOM 0 HA PHE A 39 50.937 -5.421 9.688 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.814 -6.234 7.269 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.211 -4.661 6.785 1.00 1.00 H new ATOM 0 HD1 PHE A 39 53.553 -6.412 9.081 1.00 1.00 H new ATOM 0 HD2 PHE A 39 52.299 -2.620 7.501 1.00 1.00 H new ATOM 0 HE1 PHE A 39 55.570 -5.342 10.047 1.00 1.00 H new ATOM 0 HE2 PHE A 39 54.315 -1.549 8.470 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.950 -2.910 9.745 1.00 1.00 H new ATOM 582 N LEU A 40 48.760 -3.961 7.672 1.00 1.00 N ATOM 583 CA LEU A 40 47.893 -2.795 7.540 1.00 1.00 C ATOM 584 C LEU A 40 46.492 -3.109 8.055 1.00 1.00 C ATOM 585 O LEU A 40 45.499 -2.862 7.371 1.00 1.00 O ATOM 586 CB LEU A 40 47.815 -2.366 6.073 1.00 1.00 C ATOM 587 CG LEU A 40 49.104 -1.641 5.685 1.00 1.00 C ATOM 588 CD1 LEU A 40 49.511 -2.044 4.267 1.00 1.00 C ATOM 589 CD2 LEU A 40 48.872 -0.129 5.736 1.00 1.00 C ATOM 0 H LEU A 40 48.640 -4.665 6.944 1.00 1.00 H new ATOM 0 HA LEU A 40 48.313 -1.983 8.134 1.00 1.00 H new ATOM 0 HB2 LEU A 40 47.669 -3.238 5.435 1.00 1.00 H new ATOM 0 HB3 LEU A 40 46.957 -1.712 5.919 1.00 1.00 H new ATOM 0 HG LEU A 40 49.897 -1.913 6.382 1.00 1.00 H new ATOM 0 HD11 LEU A 40 50.430 -1.527 3.991 1.00 1.00 H new ATOM 0 HD12 LEU A 40 49.675 -3.121 4.228 1.00 1.00 H new ATOM 0 HD13 LEU A 40 48.718 -1.772 3.570 1.00 1.00 H new ATOM 0 HD21 LEU A 40 49.790 0.389 5.460 1.00 1.00 H new ATOM 0 HD22 LEU A 40 48.079 0.141 5.039 1.00 1.00 H new ATOM 0 HD23 LEU A 40 48.582 0.161 6.746 1.00 1.00 H new ATOM 601 N LEU A 41 46.419 -3.654 9.265 1.00 1.00 N ATOM 602 CA LEU A 41 45.134 -3.997 9.862 1.00 1.00 C ATOM 603 C LEU A 41 45.325 -4.454 11.305 1.00 1.00 C ATOM 604 O LEU A 41 44.858 -3.803 12.239 1.00 1.00 O ATOM 605 CB LEU A 41 44.462 -5.107 9.044 1.00 1.00 C ATOM 606 CG LEU A 41 43.233 -5.651 9.783 1.00 1.00 C ATOM 607 CD1 LEU A 41 42.338 -4.494 10.232 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.442 -6.562 8.842 1.00 1.00 C ATOM 0 H LEU A 41 47.229 -3.866 9.848 1.00 1.00 H new ATOM 0 HA LEU A 41 44.496 -3.113 9.859 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.165 -4.720 8.069 1.00 1.00 H new ATOM 0 HB3 LEU A 41 45.172 -5.914 8.864 1.00 1.00 H new ATOM 0 HG LEU A 41 43.560 -6.212 10.658 1.00 1.00 H new ATOM 0 HD11 LEU A 41 41.468 -4.889 10.756 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.897 -3.839 10.900 1.00 1.00 H new ATOM 0 HD13 LEU A 41 42.010 -3.928 9.360 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.567 -6.951 9.363 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.121 -5.993 7.969 1.00 1.00 H new ATOM 0 HD23 LEU A 41 43.073 -7.391 8.523 1.00 1.00 H new ATOM 620 N GLY A 42 46.012 -5.578 11.478 1.00 1.00 N ATOM 621 CA GLY A 42 46.258 -6.113 12.811 1.00 1.00 C ATOM 622 C GLY A 42 46.800 -5.032 13.741 1.00 1.00 C ATOM 623 O GLY A 42 46.830 -5.206 14.959 1.00 1.00 O ATOM 0 H GLY A 42 46.406 -6.132 10.718 1.00 1.00 H new ATOM 0 HA2 GLY A 42 45.333 -6.520 13.220 1.00 1.00 H new ATOM 0 HA3 GLY A 42 46.969 -6.937 12.751 1.00 1.00 H new ATOM 627 N THR A 43 47.226 -3.917 13.157 1.00 1.00 N ATOM 628 CA THR A 43 47.764 -2.813 13.943 1.00 1.00 C ATOM 629 C THR A 43 47.249 -1.478 13.416 1.00 1.00 C ATOM 630 O THR A 43 46.136 -1.059 13.736 1.00 1.00 O ATOM 631 CB THR A 43 49.293 -2.830 13.889 1.00 1.00 C ATOM 632 OG1 THR A 43 49.790 -1.525 14.155 1.00 1.00 O ATOM 633 CG2 THR A 43 49.751 -3.278 12.500 1.00 1.00 C ATOM 0 H THR A 43 47.210 -3.754 12.150 1.00 1.00 H new ATOM 0 HA THR A 43 47.436 -2.933 14.975 1.00 1.00 H new ATOM 0 HB THR A 43 49.675 -3.524 14.637 1.00 1.00 H new ATOM 0 HG1 THR A 43 50.736 -1.580 14.406 1.00 1.00 H new ATOM 0 HG21 THR A 43 50.840 -3.290 12.462 1.00 1.00 H new ATOM 0 HG22 THR A 43 49.370 -4.279 12.296 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.370 -2.585 11.750 1.00 1.00 H new ATOM 641 N THR A 44 48.066 -0.813 12.606 1.00 1.00 N ATOM 642 CA THR A 44 47.682 0.476 12.040 1.00 1.00 C ATOM 643 C THR A 44 47.380 1.480 13.147 1.00 1.00 C ATOM 644 O THR A 44 46.976 2.612 12.880 1.00 1.00 O ATOM 645 CB THR A 44 46.449 0.309 11.149 1.00 1.00 C ATOM 646 OG1 THR A 44 45.276 0.446 11.938 1.00 1.00 O ATOM 647 CG2 THR A 44 46.471 -1.075 10.498 1.00 1.00 C ATOM 0 H THR A 44 48.991 -1.141 12.328 1.00 1.00 H new ATOM 0 HA THR A 44 48.513 0.851 11.443 1.00 1.00 H new ATOM 0 HB THR A 44 46.455 1.073 10.371 1.00 1.00 H new ATOM 0 HG1 THR A 44 45.368 -0.086 12.756 1.00 1.00 H new ATOM 0 HG21 THR A 44 45.592 -1.193 9.864 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.372 -1.178 9.893 1.00 1.00 H new ATOM 0 HG23 THR A 44 46.465 -1.842 11.273 1.00 1.00 H new ATOM 655 N GLY A 45 47.578 1.057 14.392 1.00 1.00 N ATOM 656 CA GLY A 45 47.323 1.927 15.535 1.00 1.00 C ATOM 657 C GLY A 45 46.599 1.171 16.643 1.00 1.00 C ATOM 658 O GLY A 45 46.697 1.528 17.818 1.00 1.00 O ATOM 0 H GLY A 45 47.912 0.124 14.634 1.00 1.00 H new ATOM 0 HA2 GLY A 45 48.266 2.321 15.914 1.00 1.00 H new ATOM 0 HA3 GLY A 45 46.724 2.781 15.220 1.00 1.00 H new ATOM 662 N ASN A 46 45.872 0.126 16.263 1.00 1.00 N ATOM 663 CA ASN A 46 45.135 -0.674 17.236 1.00 1.00 C ATOM 664 C ASN A 46 46.038 -1.741 17.846 1.00 1.00 C ATOM 665 O ASN A 46 45.690 -2.363 18.849 1.00 1.00 O ATOM 666 CB ASN A 46 43.937 -1.343 16.560 1.00 1.00 C ATOM 667 CG ASN A 46 43.029 -0.285 15.943 1.00 1.00 C ATOM 668 OD1 ASN A 46 42.110 0.206 16.600 1.00 1.00 O ATOM 669 ND2 ASN A 46 43.231 0.099 14.713 1.00 1.00 N ATOM 0 H ASN A 46 45.777 -0.186 15.296 1.00 1.00 H new ATOM 0 HA ASN A 46 44.784 -0.015 18.030 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.282 -2.032 15.789 1.00 1.00 H new ATOM 0 HB3 ASN A 46 43.380 -1.932 17.289 1.00 1.00 H new ATOM 0 HD21 ASN A 46 42.628 0.807 14.294 1.00 1.00 H new ATOM 0 HD22 ASN A 46 43.992 -0.308 14.170 1.00 1.00 H new ATOM 676 N GLY A 47 47.200 -1.946 17.234 1.00 1.00 N ATOM 677 CA GLY A 47 48.147 -2.940 17.727 1.00 1.00 C ATOM 678 C GLY A 47 49.084 -2.334 18.765 1.00 1.00 C ATOM 679 O GLY A 47 49.834 -3.049 19.430 1.00 1.00 O ATOM 0 H GLY A 47 47.507 -1.442 16.402 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.605 -3.778 18.166 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.728 -3.338 16.895 1.00 1.00 H new ATOM 683 N LEU A 48 49.034 -1.009 18.896 1.00 1.00 N ATOM 684 CA LEU A 48 49.880 -0.305 19.855 1.00 1.00 C ATOM 685 C LEU A 48 49.026 0.388 20.911 1.00 1.00 C ATOM 686 O LEU A 48 49.548 0.937 21.882 1.00 1.00 O ATOM 687 CB LEU A 48 50.745 0.735 19.136 1.00 1.00 C ATOM 688 CG LEU A 48 50.240 0.937 17.704 1.00 1.00 C ATOM 689 CD1 LEU A 48 50.898 2.181 17.104 1.00 1.00 C ATOM 690 CD2 LEU A 48 50.596 -0.285 16.851 1.00 1.00 C ATOM 0 H LEU A 48 48.419 -0.404 18.352 1.00 1.00 H new ATOM 0 HA LEU A 48 50.526 -1.036 20.342 1.00 1.00 H new ATOM 0 HB2 LEU A 48 50.716 1.681 19.677 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.785 0.408 19.121 1.00 1.00 H new ATOM 0 HG LEU A 48 49.158 1.064 17.719 1.00 1.00 H new ATOM 0 HD11 LEU A 48 50.540 2.326 16.085 1.00 1.00 H new ATOM 0 HD12 LEU A 48 50.644 3.053 17.706 1.00 1.00 H new ATOM 0 HD13 LEU A 48 51.980 2.051 17.093 1.00 1.00 H new ATOM 0 HD21 LEU A 48 50.235 -0.136 15.833 1.00 1.00 H new ATOM 0 HD22 LEU A 48 51.678 -0.416 16.836 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.129 -1.174 17.276 1.00 1.00 H new ATOM 702 N VAL A 49 47.712 0.360 20.714 1.00 1.00 N ATOM 703 CA VAL A 49 46.792 0.990 21.656 1.00 1.00 C ATOM 704 C VAL A 49 46.111 -0.061 22.527 1.00 1.00 C ATOM 705 O VAL A 49 46.016 0.095 23.744 1.00 1.00 O ATOM 706 CB VAL A 49 45.733 1.789 20.894 1.00 1.00 C ATOM 707 CG1 VAL A 49 44.600 2.171 21.847 1.00 1.00 C ATOM 708 CG2 VAL A 49 46.368 3.058 20.322 1.00 1.00 C ATOM 0 H VAL A 49 47.262 -0.089 19.916 1.00 1.00 H new ATOM 0 HA VAL A 49 47.362 1.661 22.298 1.00 1.00 H new ATOM 0 HB VAL A 49 45.334 1.183 20.081 1.00 1.00 H new ATOM 0 HG11 VAL A 49 43.845 2.740 21.305 1.00 1.00 H new ATOM 0 HG12 VAL A 49 44.149 1.267 22.256 1.00 1.00 H new ATOM 0 HG13 VAL A 49 44.998 2.778 22.660 1.00 1.00 H new ATOM 0 HG21 VAL A 49 45.615 3.629 19.779 1.00 1.00 H new ATOM 0 HG22 VAL A 49 46.766 3.664 21.136 1.00 1.00 H new ATOM 0 HG23 VAL A 49 47.177 2.786 19.644 1.00 1.00 H new ATOM 718 N LEU A 50 45.637 -1.130 21.895 1.00 1.00 N ATOM 719 CA LEU A 50 44.965 -2.200 22.623 1.00 1.00 C ATOM 720 C LEU A 50 45.956 -3.294 23.005 1.00 1.00 C ATOM 721 O LEU A 50 46.227 -3.514 24.185 1.00 1.00 O ATOM 722 CB LEU A 50 43.850 -2.797 21.762 1.00 1.00 C ATOM 723 CG LEU A 50 43.144 -3.908 22.540 1.00 1.00 C ATOM 724 CD1 LEU A 50 41.631 -3.686 22.489 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.481 -5.262 21.911 1.00 1.00 C ATOM 0 H LEU A 50 45.705 -1.278 20.888 1.00 1.00 H new ATOM 0 HA LEU A 50 44.536 -1.781 23.533 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.135 -2.022 21.485 1.00 1.00 H new ATOM 0 HB3 LEU A 50 44.265 -3.194 20.835 1.00 1.00 H new ATOM 0 HG LEU A 50 43.478 -3.894 23.577 1.00 1.00 H new ATOM 0 HD11 LEU A 50 41.128 -4.478 23.044 1.00 1.00 H new ATOM 0 HD12 LEU A 50 41.390 -2.721 22.935 1.00 1.00 H new ATOM 0 HD13 LEU A 50 41.296 -3.700 21.452 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.979 -6.055 22.464 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.146 -5.275 20.874 1.00 1.00 H new ATOM 0 HD23 LEU A 50 44.559 -5.421 21.946 1.00 1.00 H new ATOM 737 N TRP A 51 46.492 -3.977 21.999 1.00 1.00 N ATOM 738 CA TRP A 51 47.452 -5.048 22.244 1.00 1.00 C ATOM 739 C TRP A 51 48.482 -4.618 23.283 1.00 1.00 C ATOM 740 O TRP A 51 48.911 -5.419 24.114 1.00 1.00 O ATOM 741 CB TRP A 51 48.163 -5.419 20.941 1.00 1.00 C ATOM 742 CG TRP A 51 49.533 -5.933 21.250 1.00 1.00 C ATOM 743 CD1 TRP A 51 50.628 -5.161 21.436 1.00 1.00 C ATOM 744 CD2 TRP A 51 49.973 -7.313 21.409 1.00 1.00 C ATOM 745 NE1 TRP A 51 51.712 -5.978 21.701 1.00 1.00 N ATOM 746 CE2 TRP A 51 51.358 -7.314 21.696 1.00 1.00 C ATOM 747 CE3 TRP A 51 49.309 -8.551 21.335 1.00 1.00 C ATOM 748 CZ2 TRP A 51 52.062 -8.500 21.901 1.00 1.00 C ATOM 749 CZ3 TRP A 51 50.015 -9.748 21.542 1.00 1.00 C ATOM 750 CH2 TRP A 51 51.388 -9.723 21.824 1.00 1.00 C ATOM 0 H TRP A 51 46.281 -3.811 21.015 1.00 1.00 H new ATOM 0 HA TRP A 51 46.911 -5.915 22.623 1.00 1.00 H new ATOM 0 HB2 TRP A 51 47.591 -6.176 20.405 1.00 1.00 H new ATOM 0 HB3 TRP A 51 48.228 -4.548 20.289 1.00 1.00 H new ATOM 0 HD1 TRP A 51 50.652 -4.082 21.386 1.00 1.00 H new ATOM 0 HE1 TRP A 51 52.657 -5.637 21.878 1.00 1.00 H new ATOM 0 HE3 TRP A 51 48.251 -8.581 21.118 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 53.120 -8.474 22.118 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 49.497 -10.694 21.483 1.00 1.00 H new ATOM 0 HH2 TRP A 51 51.925 -10.647 21.982 1.00 1.00 H new ATOM 761 N THR A 52 48.874 -3.349 23.231 1.00 1.00 N ATOM 762 CA THR A 52 49.854 -2.824 24.175 1.00 1.00 C ATOM 763 C THR A 52 49.390 -3.048 25.610 1.00 1.00 C ATOM 764 O THR A 52 50.202 -3.272 26.508 1.00 1.00 O ATOM 765 CB THR A 52 50.063 -1.328 23.931 1.00 1.00 C ATOM 766 OG1 THR A 52 51.280 -0.917 24.540 1.00 1.00 O ATOM 767 CG2 THR A 52 48.898 -0.542 24.535 1.00 1.00 C ATOM 0 H THR A 52 48.531 -2.670 22.551 1.00 1.00 H new ATOM 0 HA THR A 52 50.796 -3.352 24.024 1.00 1.00 H new ATOM 0 HB THR A 52 50.109 -1.137 22.859 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.417 0.041 24.384 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.048 0.523 24.360 1.00 1.00 H new ATOM 0 HG22 THR A 52 47.965 -0.858 24.068 1.00 1.00 H new ATOM 0 HG23 THR A 52 48.849 -0.730 25.607 1.00 1.00 H new ATOM 775 N VAL A 53 48.079 -2.986 25.819 1.00 1.00 N ATOM 776 CA VAL A 53 47.517 -3.184 27.150 1.00 1.00 C ATOM 777 C VAL A 53 47.934 -4.538 27.712 1.00 1.00 C ATOM 778 O VAL A 53 48.207 -4.668 28.905 1.00 1.00 O ATOM 779 CB VAL A 53 45.991 -3.102 27.090 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.414 -3.266 28.497 1.00 1.00 C ATOM 781 CG2 VAL A 53 45.576 -1.742 26.525 1.00 1.00 C ATOM 0 H VAL A 53 47.390 -2.802 25.090 1.00 1.00 H new ATOM 0 HA VAL A 53 47.897 -2.400 27.804 1.00 1.00 H new ATOM 0 HB VAL A 53 45.610 -3.896 26.447 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.326 -3.207 28.453 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.709 -4.234 28.901 1.00 1.00 H new ATOM 0 HG13 VAL A 53 45.794 -2.473 29.141 1.00 1.00 H new ATOM 0 HG21 VAL A 53 44.488 -1.682 26.482 1.00 1.00 H new ATOM 0 HG22 VAL A 53 45.958 -0.949 27.168 1.00 1.00 H new ATOM 0 HG23 VAL A 53 45.986 -1.624 25.522 1.00 1.00 H new ATOM 791 N PHE A 54 47.981 -5.545 26.845 1.00 1.00 N ATOM 792 CA PHE A 54 48.366 -6.887 27.268 1.00 1.00 C ATOM 793 C PHE A 54 49.884 -7.031 27.275 1.00 1.00 C ATOM 794 O PHE A 54 50.411 -8.132 27.437 1.00 1.00 O ATOM 795 CB PHE A 54 47.756 -7.926 26.325 1.00 1.00 C ATOM 796 CG PHE A 54 46.621 -8.636 27.025 1.00 1.00 C ATOM 797 CD1 PHE A 54 45.394 -7.986 27.203 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.796 -9.943 27.493 1.00 1.00 C ATOM 799 CE1 PHE A 54 44.342 -8.645 27.851 1.00 1.00 C ATOM 800 CE2 PHE A 54 45.744 -10.602 28.141 1.00 1.00 C ATOM 801 CZ PHE A 54 44.517 -9.952 28.320 1.00 1.00 C ATOM 0 H PHE A 54 47.759 -5.459 25.853 1.00 1.00 H new ATOM 0 HA PHE A 54 47.993 -7.051 28.279 1.00 1.00 H new ATOM 0 HB2 PHE A 54 47.392 -7.441 25.419 1.00 1.00 H new ATOM 0 HB3 PHE A 54 48.516 -8.645 26.019 1.00 1.00 H new ATOM 0 HD1 PHE A 54 45.259 -6.977 26.841 1.00 1.00 H new ATOM 0 HD2 PHE A 54 47.743 -10.444 27.354 1.00 1.00 H new ATOM 0 HE1 PHE A 54 43.395 -8.144 27.989 1.00 1.00 H new ATOM 0 HE2 PHE A 54 45.879 -11.611 28.502 1.00 1.00 H new ATOM 0 HZ PHE A 54 43.705 -10.459 28.820 1.00 1.00 H new ATOM 811 N ARG A 55 50.581 -5.914 27.098 1.00 1.00 N ATOM 812 CA ARG A 55 52.039 -5.929 27.085 1.00 1.00 C ATOM 813 C ARG A 55 52.591 -5.434 28.419 1.00 1.00 C ATOM 814 O ARG A 55 53.173 -6.203 29.184 1.00 1.00 O ATOM 815 CB ARG A 55 52.561 -5.040 25.954 1.00 1.00 C ATOM 816 CG ARG A 55 53.959 -5.503 25.540 1.00 1.00 C ATOM 817 CD ARG A 55 53.852 -6.671 24.555 1.00 1.00 C ATOM 818 NE ARG A 55 54.872 -7.666 24.848 1.00 1.00 N ATOM 819 CZ ARG A 55 56.102 -7.561 24.356 1.00 1.00 C ATOM 820 NH1 ARG A 55 56.417 -6.546 23.599 1.00 1.00 N ATOM 821 NH2 ARG A 55 56.993 -8.474 24.628 1.00 1.00 N ATOM 0 H ARG A 55 50.164 -4.993 26.962 1.00 1.00 H new ATOM 0 HA ARG A 55 52.372 -6.954 26.924 1.00 1.00 H new ATOM 0 HB2 ARG A 55 51.884 -5.085 25.101 1.00 1.00 H new ATOM 0 HB3 ARG A 55 52.593 -4.001 26.280 1.00 1.00 H new ATOM 0 HG2 ARG A 55 54.504 -4.678 25.081 1.00 1.00 H new ATOM 0 HG3 ARG A 55 54.525 -5.809 26.420 1.00 1.00 H new ATOM 0 HD2 ARG A 55 52.862 -7.123 24.621 1.00 1.00 H new ATOM 0 HD3 ARG A 55 53.969 -6.308 23.534 1.00 1.00 H new ATOM 0 HE ARG A 55 54.638 -8.461 25.443 1.00 1.00 H new ATOM 0 HH11 ARG A 55 55.719 -5.833 23.385 1.00 1.00 H new ATOM 0 HH12 ARG A 55 57.361 -6.465 23.221 1.00 1.00 H new ATOM 0 HH21 ARG A 55 56.746 -9.268 25.218 1.00 1.00 H new ATOM 0 HH22 ARG A 55 57.937 -8.394 24.250 1.00 1.00 H new ATOM 835 N LYS A 56 52.405 -4.146 28.690 1.00 1.00 N ATOM 836 CA LYS A 56 52.890 -3.560 29.935 1.00 1.00 C ATOM 837 C LYS A 56 52.369 -4.345 31.135 1.00 1.00 C ATOM 838 O LYS A 56 53.024 -4.413 32.175 1.00 1.00 O ATOM 839 CB LYS A 56 52.434 -2.103 30.038 1.00 1.00 C ATOM 840 CG LYS A 56 53.117 -1.276 28.948 1.00 1.00 C ATOM 841 CD LYS A 56 52.577 0.155 28.978 1.00 1.00 C ATOM 842 CE LYS A 56 51.940 0.489 27.628 1.00 1.00 C ATOM 843 NZ LYS A 56 51.430 1.889 27.652 1.00 1.00 N ATOM 0 H LYS A 56 51.926 -3.493 28.070 1.00 1.00 H new ATOM 0 HA LYS A 56 53.979 -3.600 29.934 1.00 1.00 H new ATOM 0 HB2 LYS A 56 51.351 -2.041 29.931 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.680 -1.702 31.021 1.00 1.00 H new ATOM 0 HG2 LYS A 56 54.196 -1.272 29.102 1.00 1.00 H new ATOM 0 HG3 LYS A 56 52.937 -1.723 27.971 1.00 1.00 H new ATOM 0 HD2 LYS A 56 51.841 0.261 29.775 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.384 0.855 29.194 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.672 0.371 26.829 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.124 -0.203 27.418 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 50.997 2.116 26.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 50.719 1.986 28.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 52.218 2.543 27.834 1.00 1.00 H new ATOM 857 N LYS A 57 51.188 -4.934 30.982 1.00 1.00 N ATOM 858 CA LYS A 57 50.589 -5.712 32.062 1.00 1.00 C ATOM 859 C LYS A 57 51.027 -7.170 31.978 1.00 1.00 C ATOM 860 O LYS A 57 50.781 -7.956 32.893 1.00 1.00 O ATOM 861 CB LYS A 57 49.063 -5.630 31.979 1.00 1.00 C ATOM 862 CG LYS A 57 48.639 -4.171 31.811 1.00 1.00 C ATOM 863 CD LYS A 57 47.114 -4.090 31.717 1.00 1.00 C ATOM 864 CE LYS A 57 46.676 -2.626 31.767 1.00 1.00 C ATOM 865 NZ LYS A 57 46.890 -2.089 33.141 1.00 1.00 N ATOM 0 H LYS A 57 50.630 -4.889 30.129 1.00 1.00 H new ATOM 0 HA LYS A 57 50.924 -5.298 33.013 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.701 -6.224 31.139 1.00 1.00 H new ATOM 0 HB3 LYS A 57 48.616 -6.048 32.881 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.994 -3.579 32.654 1.00 1.00 H new ATOM 0 HG3 LYS A 57 49.092 -3.751 30.913 1.00 1.00 H new ATOM 0 HD2 LYS A 57 46.771 -4.552 30.791 1.00 1.00 H new ATOM 0 HD3 LYS A 57 46.659 -4.645 32.537 1.00 1.00 H new ATOM 0 HE2 LYS A 57 47.244 -2.041 31.044 1.00 1.00 H new ATOM 0 HE3 LYS A 57 45.625 -2.540 31.491 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 46.278 -1.261 33.289 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 46.656 -2.822 33.841 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 47.885 -1.808 33.253 1.00 1.00 H new ATOM 879 N GLY A 58 51.679 -7.525 30.875 1.00 1.00 N ATOM 880 CA GLY A 58 52.147 -8.893 30.683 1.00 1.00 C ATOM 881 C GLY A 58 53.288 -8.939 29.673 1.00 1.00 C ATOM 882 O GLY A 58 53.059 -8.945 28.463 1.00 1.00 O ATOM 0 H GLY A 58 51.894 -6.890 30.106 1.00 1.00 H new ATOM 0 HA2 GLY A 58 52.482 -9.304 31.635 1.00 1.00 H new ATOM 0 HA3 GLY A 58 51.324 -9.518 30.337 1.00 1.00 H new ATOM 886 N HIS A 59 54.517 -8.971 30.177 1.00 1.00 N ATOM 887 CA HIS A 59 55.686 -9.017 29.308 1.00 1.00 C ATOM 888 C HIS A 59 56.953 -9.250 30.125 1.00 1.00 C ATOM 889 O HIS A 59 57.764 -10.116 29.798 1.00 1.00 O ATOM 890 CB HIS A 59 55.812 -7.707 28.530 1.00 1.00 C ATOM 891 CG HIS A 59 56.252 -6.611 29.462 1.00 1.00 C ATOM 892 ND1 HIS A 59 55.660 -6.057 30.570 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 57.455 -5.943 29.301 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 56.482 -5.061 31.090 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 57.550 -5.033 30.288 1.00 1.00 N flip ATOM 0 H HIS A 59 54.728 -8.966 31.175 1.00 1.00 H new ATOM 0 HA HIS A 59 55.562 -9.843 28.608 1.00 1.00 H new ATOM 0 HB2 HIS A 59 56.532 -7.821 27.720 1.00 1.00 H new ATOM 0 HB3 HIS A 59 54.856 -7.449 28.074 1.00 1.00 H new ATOM 0 HD1 HIS A 59 54.756 -6.333 30.954 1.00 1.00 H new ATOM 0 HD2 HIS A 59 58.184 -6.120 28.524 1.00 1.00 H new ATOM 0 HE1 HIS A 59 56.296 -4.443 31.956 1.00 1.00 H new ATOM 903 N HIS A 60 57.115 -8.471 31.191 1.00 1.00 N ATOM 904 CA HIS A 60 58.287 -8.601 32.048 1.00 1.00 C ATOM 905 C HIS A 60 57.940 -9.373 33.318 1.00 1.00 C ATOM 906 O HIS A 60 58.827 -9.814 34.047 1.00 1.00 O ATOM 907 CB HIS A 60 58.818 -7.216 32.419 1.00 1.00 C ATOM 908 CG HIS A 60 59.838 -6.780 31.404 1.00 1.00 C ATOM 909 ND1 HIS A 60 60.043 -7.143 30.096 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 60.819 -5.845 31.695 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 61.132 -6.446 29.582 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 61.562 -5.678 30.587 1.00 1.00 N flip ATOM 0 H HIS A 60 56.455 -7.749 31.480 1.00 1.00 H new ATOM 0 HA HIS A 60 59.054 -9.150 31.502 1.00 1.00 H new ATOM 0 HB2 HIS A 60 57.998 -6.499 32.457 1.00 1.00 H new ATOM 0 HB3 HIS A 60 59.266 -7.241 33.412 1.00 1.00 H new ATOM 0 HD2 HIS A 60 60.961 -5.342 32.640 1.00 1.00 H new ATOM 0 HE1 HIS A 60 61.542 -6.512 28.585 1.00 1.00 H new ATOM 0 HE2 HIS A 60 62.357 -5.042 30.522 1.00 1.00 H new ATOM 920 N HIS A 61 56.644 -9.529 33.573 1.00 1.00 N ATOM 921 CA HIS A 61 56.185 -10.249 34.752 1.00 1.00 C ATOM 922 C HIS A 61 55.585 -11.590 34.359 1.00 1.00 C ATOM 923 O HIS A 61 55.996 -12.206 33.375 1.00 1.00 O ATOM 924 CB HIS A 61 55.134 -9.417 35.491 1.00 1.00 C ATOM 925 CG HIS A 61 55.143 -9.780 36.950 1.00 1.00 C ATOM 926 ND1 HIS A 61 54.116 -10.500 37.540 1.00 1.00 N ATOM 927 CD2 HIS A 61 56.050 -9.531 37.952 1.00 1.00 C ATOM 928 CE1 HIS A 61 54.425 -10.658 38.840 1.00 1.00 C ATOM 929 NE2 HIS A 61 55.594 -10.087 39.144 1.00 1.00 N ATOM 0 H HIS A 61 55.897 -9.167 32.980 1.00 1.00 H new ATOM 0 HA HIS A 61 57.040 -10.424 35.405 1.00 1.00 H new ATOM 0 HB2 HIS A 61 55.344 -8.354 35.368 1.00 1.00 H new ATOM 0 HB3 HIS A 61 54.147 -9.598 35.066 1.00 1.00 H new ATOM 0 HD2 HIS A 61 56.975 -8.987 37.833 1.00 1.00 H new ATOM 0 HE1 HIS A 61 53.804 -11.182 39.551 1.00 1.00 H new ATOM 0 HE2 HIS A 61 56.054 -10.063 40.054 1.00 1.00 H new ATOM 937 N HIS A 62 54.613 -12.032 35.138 1.00 1.00 N ATOM 938 CA HIS A 62 53.950 -13.304 34.877 1.00 1.00 C ATOM 939 C HIS A 62 54.974 -14.380 34.531 1.00 1.00 C ATOM 940 O HIS A 62 55.395 -14.503 33.380 1.00 1.00 O ATOM 941 CB HIS A 62 52.961 -13.149 33.721 1.00 1.00 C ATOM 942 CG HIS A 62 51.991 -14.299 33.732 1.00 1.00 C ATOM 943 ND1 HIS A 62 52.124 -15.385 32.879 1.00 1.00 N ATOM 944 CD2 HIS A 62 50.871 -14.548 34.484 1.00 1.00 C ATOM 945 CE1 HIS A 62 51.107 -16.229 33.137 1.00 1.00 C ATOM 946 NE2 HIS A 62 50.314 -15.767 34.107 1.00 1.00 N ATOM 0 H HIS A 62 54.264 -11.532 35.956 1.00 1.00 H new ATOM 0 HA HIS A 62 53.413 -13.604 35.777 1.00 1.00 H new ATOM 0 HB2 HIS A 62 52.423 -12.205 33.813 1.00 1.00 H new ATOM 0 HB3 HIS A 62 53.496 -13.120 32.772 1.00 1.00 H new ATOM 0 HD2 HIS A 62 50.480 -13.897 35.252 1.00 1.00 H new ATOM 0 HE1 HIS A 62 50.952 -17.166 32.622 1.00 1.00 H new ATOM 0 HE2 HIS A 62 49.480 -16.212 34.490 1.00 1.00 H new ATOM 954 N HIS A 63 55.370 -15.157 35.536 1.00 1.00 N ATOM 955 CA HIS A 63 56.343 -16.222 35.336 1.00 1.00 C ATOM 956 C HIS A 63 55.679 -17.583 35.473 1.00 1.00 C ATOM 957 O HIS A 63 54.515 -17.762 35.118 1.00 1.00 O ATOM 958 CB HIS A 63 57.467 -16.097 36.366 1.00 1.00 C ATOM 959 CG HIS A 63 56.950 -16.488 37.723 1.00 1.00 C ATOM 960 ND1 HIS A 63 55.768 -15.981 38.237 1.00 1.00 N ATOM 961 CD2 HIS A 63 57.442 -17.338 38.682 1.00 1.00 C ATOM 962 CE1 HIS A 63 55.589 -16.525 39.456 1.00 1.00 C ATOM 963 NE2 HIS A 63 56.581 -17.359 39.775 1.00 1.00 N ATOM 0 H HIS A 63 55.032 -15.068 36.494 1.00 1.00 H new ATOM 0 HA HIS A 63 56.756 -16.130 34.331 1.00 1.00 H new ATOM 0 HB2 HIS A 63 58.304 -16.737 36.086 1.00 1.00 H new ATOM 0 HB3 HIS A 63 57.842 -15.074 36.389 1.00 1.00 H new ATOM 0 HD2 HIS A 63 58.358 -17.904 38.601 1.00 1.00 H new ATOM 0 HE1 HIS A 63 54.746 -16.312 40.097 1.00 1.00 H new ATOM 0 HE2 HIS A 63 56.686 -17.897 40.636 1.00 1.00 H new ATOM 971 N HIS A 64 56.436 -18.534 35.992 1.00 1.00 N ATOM 972 CA HIS A 64 55.930 -19.889 36.181 1.00 1.00 C ATOM 973 C HIS A 64 54.936 -19.931 37.338 1.00 1.00 C ATOM 974 O HIS A 64 54.308 -20.963 37.516 1.00 1.00 O ATOM 975 CB HIS A 64 57.090 -20.844 36.468 1.00 1.00 C ATOM 976 CG HIS A 64 56.881 -21.499 37.806 1.00 1.00 C ATOM 977 ND1 HIS A 64 56.969 -21.016 39.088 1.00 1.00 N flip ATOM 978 CD2 HIS A 64 56.533 -22.835 37.928 1.00 1.00 C flip ATOM 979 CE1 HIS A 64 56.679 -22.034 39.992 1.00 1.00 C flip ATOM 980 NE2 HIS A 64 56.425 -23.109 39.241 1.00 1.00 N flip ATOM 981 OXT HIS A 64 54.816 -18.933 38.028 1.00 1.00 O ATOM 0 H HIS A 64 57.402 -18.397 36.291 1.00 1.00 H new ATOM 0 HA HIS A 64 55.422 -20.199 35.268 1.00 1.00 H new ATOM 0 HB2 HIS A 64 57.154 -21.601 35.686 1.00 1.00 H new ATOM 0 HB3 HIS A 64 58.034 -20.299 36.461 1.00 1.00 H new ATOM 0 HD2 HIS A 64 56.377 -23.530 37.116 1.00 1.00 H new ATOM 0 HE1 HIS A 64 56.663 -21.969 41.070 1.00 1.00 H new ATOM 0 HE2 HIS A 64 56.179 -24.025 39.617 1.00 1.00 H new TER 989 HIS A 64