USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ -153:sc= 0.0853 (180deg=0) USER MOD Set 1.2: A 30 HIS : no HD1:sc=-0.00361 X(o=0.082,f=-0.032) USER MOD Set 2.1: A 26 TYR OH : rot 141:sc= 0.0121 USER MOD Set 2.2: A 38 THR OG1 : rot -9:sc= 0.712 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.0145 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 1.17 USER MOD Single : A 5 SER OG : rot 28:sc= 0.0205 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0711 USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.117) USER MOD Single : A 17 ASN : amide:sc= -5.75! C(o=-5.8!,f=-4.6!) USER MOD Single : A 22 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.034) USER MOD Single : A 23 ASN : amide:sc= -4.16! C(o=-4.2!,f=-2.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0473 X(o=-0.047,f=0) USER MOD Single : A 33 SER OG : rot 37:sc= 0.00264 USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.655) USER MOD Single : A 36 GLN : amide:sc= 0.31 K(o=0.31,f=-6.7!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.265 K(o=-0.27,f=-2.1!) USER MOD Single : A 49 ASN : amide:sc= -0.0575 K(o=-0.058,f=-1.3) USER MOD Single : A 53 GLN : amide:sc= -1.25 K(o=-1.3,f=-5.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0429) USER MOD Single : A 59 GLN : amide:sc= -0.879 X(o=-0.88,f=-0.81) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.134 X(o=0.13,f=-0.22) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 31:sc= 1.19 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.429 20.929 -61.032 1.00 0.00 N ATOM 2 CA GLY A 1 -35.387 20.697 -60.048 1.00 0.00 C ATOM 3 C GLY A 1 -35.095 21.927 -59.212 1.00 0.00 C ATOM 4 O GLY A 1 -35.144 23.051 -59.711 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.168 20.470 -61.928 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.326 20.532 -60.688 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.540 21.952 -61.186 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.686 19.879 -59.393 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.476 20.382 -60.556 1.00 0.00 H new ATOM 8 N SER A 2 -34.791 21.715 -57.936 1.00 0.00 N ATOM 9 CA SER A 2 -34.495 22.816 -57.027 1.00 0.00 C ATOM 10 C SER A 2 -33.208 22.550 -56.252 1.00 0.00 C ATOM 11 O SER A 2 -32.223 23.273 -56.396 1.00 0.00 O ATOM 12 CB SER A 2 -35.656 23.028 -56.053 1.00 0.00 C ATOM 13 OG SER A 2 -35.525 24.259 -55.363 1.00 0.00 O ATOM 0 H SER A 2 -34.743 20.790 -57.508 1.00 0.00 H new ATOM 0 HA SER A 2 -34.360 23.719 -57.622 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.600 23.012 -56.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.688 22.207 -55.336 1.00 0.00 H new ATOM 0 HG SER A 2 -36.280 24.371 -54.748 1.00 0.00 H new ATOM 19 N SER A 3 -33.226 21.506 -55.429 1.00 0.00 N ATOM 20 CA SER A 3 -32.062 21.146 -54.627 1.00 0.00 C ATOM 21 C SER A 3 -32.206 19.734 -54.065 1.00 0.00 C ATOM 22 O SER A 3 -33.200 19.053 -54.314 1.00 0.00 O ATOM 23 CB SER A 3 -31.875 22.145 -53.484 1.00 0.00 C ATOM 24 OG SER A 3 -31.134 23.275 -53.911 1.00 0.00 O ATOM 0 H SER A 3 -34.033 20.895 -55.300 1.00 0.00 H new ATOM 0 HA SER A 3 -31.184 21.175 -55.272 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.849 22.464 -53.112 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.360 21.661 -52.654 1.00 0.00 H new ATOM 0 HG SER A 3 -31.292 23.428 -54.866 1.00 0.00 H new ATOM 30 N GLY A 4 -31.204 19.301 -53.306 1.00 0.00 N ATOM 31 CA GLY A 4 -31.237 17.974 -52.720 1.00 0.00 C ATOM 32 C GLY A 4 -31.398 18.008 -51.214 1.00 0.00 C ATOM 33 O GLY A 4 -31.667 19.061 -50.635 1.00 0.00 O ATOM 0 H GLY A 4 -30.370 19.846 -53.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.059 17.408 -53.157 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.317 17.446 -52.972 1.00 0.00 H new ATOM 37 N SER A 5 -31.236 16.853 -50.576 1.00 0.00 N ATOM 38 CA SER A 5 -31.371 16.754 -49.127 1.00 0.00 C ATOM 39 C SER A 5 -30.394 15.729 -48.560 1.00 0.00 C ATOM 40 O SER A 5 -29.629 15.109 -49.298 1.00 0.00 O ATOM 41 CB SER A 5 -32.804 16.373 -48.752 1.00 0.00 C ATOM 42 OG SER A 5 -33.615 17.525 -48.596 1.00 0.00 O ATOM 0 H SER A 5 -31.011 15.973 -51.040 1.00 0.00 H new ATOM 0 HA SER A 5 -31.138 17.728 -48.697 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.226 15.729 -49.524 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.800 15.799 -47.825 1.00 0.00 H new ATOM 0 HG SER A 5 -33.265 18.250 -49.155 1.00 0.00 H new ATOM 48 N SER A 6 -30.428 15.556 -47.242 1.00 0.00 N ATOM 49 CA SER A 6 -29.543 14.608 -46.574 1.00 0.00 C ATOM 50 C SER A 6 -30.234 13.978 -45.368 1.00 0.00 C ATOM 51 O SER A 6 -31.405 14.244 -45.101 1.00 0.00 O ATOM 52 CB SER A 6 -28.256 15.306 -46.130 1.00 0.00 C ATOM 53 OG SER A 6 -27.241 14.362 -45.834 1.00 0.00 O ATOM 0 H SER A 6 -31.058 16.059 -46.617 1.00 0.00 H new ATOM 0 HA SER A 6 -29.294 13.818 -47.283 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.913 15.979 -46.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.455 15.919 -45.251 1.00 0.00 H new ATOM 0 HG SER A 6 -26.428 14.833 -45.554 1.00 0.00 H new ATOM 59 N GLY A 7 -29.499 13.140 -44.644 1.00 0.00 N ATOM 60 CA GLY A 7 -30.057 12.484 -43.475 1.00 0.00 C ATOM 61 C GLY A 7 -28.993 11.835 -42.612 1.00 0.00 C ATOM 62 O GLY A 7 -28.300 10.917 -43.052 1.00 0.00 O ATOM 0 H GLY A 7 -28.528 12.903 -44.846 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.607 13.213 -42.881 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.773 11.727 -43.794 1.00 0.00 H new ATOM 66 N LEU A 8 -28.861 12.314 -41.379 1.00 0.00 N ATOM 67 CA LEU A 8 -27.873 11.775 -40.451 1.00 0.00 C ATOM 68 C LEU A 8 -28.481 11.566 -39.068 1.00 0.00 C ATOM 69 O LEU A 8 -29.214 12.418 -38.565 1.00 0.00 O ATOM 70 CB LEU A 8 -26.670 12.716 -40.355 1.00 0.00 C ATOM 71 CG LEU A 8 -26.939 14.185 -40.680 1.00 0.00 C ATOM 72 CD1 LEU A 8 -25.785 15.056 -40.208 1.00 0.00 C ATOM 73 CD2 LEU A 8 -27.171 14.368 -42.173 1.00 0.00 C ATOM 0 H LEU A 8 -29.426 13.074 -40.999 1.00 0.00 H new ATOM 0 HA LEU A 8 -27.542 10.808 -40.831 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -26.267 12.656 -39.344 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -25.895 12.352 -41.029 1.00 0.00 H new ATOM 0 HG LEU A 8 -27.841 14.494 -40.152 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -25.994 16.098 -40.448 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -25.665 14.949 -39.130 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -24.867 14.746 -40.707 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -27.361 15.420 -42.385 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -26.288 14.041 -42.721 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -28.031 13.774 -42.483 1.00 0.00 H new ATOM 85 N LYS A 9 -28.170 10.428 -38.457 1.00 0.00 N ATOM 86 CA LYS A 9 -28.683 10.107 -37.130 1.00 0.00 C ATOM 87 C LYS A 9 -27.724 9.184 -36.386 1.00 0.00 C ATOM 88 O LYS A 9 -26.663 8.830 -36.900 1.00 0.00 O ATOM 89 CB LYS A 9 -30.061 9.450 -37.239 1.00 0.00 C ATOM 90 CG LYS A 9 -31.125 10.362 -37.823 1.00 0.00 C ATOM 91 CD LYS A 9 -31.184 10.251 -39.337 1.00 0.00 C ATOM 92 CE LYS A 9 -31.744 11.517 -39.968 1.00 0.00 C ATOM 93 NZ LYS A 9 -32.243 11.274 -41.350 1.00 0.00 N ATOM 0 H LYS A 9 -27.565 9.712 -38.860 1.00 0.00 H new ATOM 0 HA LYS A 9 -28.775 11.036 -36.567 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -29.980 8.557 -37.858 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -30.378 9.124 -36.248 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -32.097 10.106 -37.400 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -30.916 11.394 -37.541 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -30.185 10.060 -39.728 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -31.804 9.399 -39.616 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -32.556 11.902 -39.351 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -30.970 12.284 -39.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -32.506 12.180 -41.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -31.496 10.820 -41.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -33.076 10.652 -41.314 1.00 0.00 H new ATOM 107 N ARG A 10 -28.106 8.796 -35.173 1.00 0.00 N ATOM 108 CA ARG A 10 -27.280 7.913 -34.358 1.00 0.00 C ATOM 109 C ARG A 10 -28.028 6.627 -34.020 1.00 0.00 C ATOM 110 O ARG A 10 -29.238 6.529 -34.225 1.00 0.00 O ATOM 111 CB ARG A 10 -26.855 8.622 -33.071 1.00 0.00 C ATOM 112 CG ARG A 10 -27.987 9.365 -32.382 1.00 0.00 C ATOM 113 CD ARG A 10 -28.147 10.773 -32.936 1.00 0.00 C ATOM 114 NE ARG A 10 -26.983 11.608 -32.653 1.00 0.00 N ATOM 115 CZ ARG A 10 -26.735 12.757 -33.271 1.00 0.00 C ATOM 116 NH1 ARG A 10 -27.565 13.205 -34.202 1.00 0.00 N ATOM 117 NH2 ARG A 10 -25.655 13.461 -32.958 1.00 0.00 N ATOM 0 H ARG A 10 -28.982 9.079 -34.733 1.00 0.00 H new ATOM 0 HA ARG A 10 -26.391 7.655 -34.933 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -26.442 7.887 -32.381 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -26.056 9.327 -33.302 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -28.918 8.813 -32.512 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -27.793 9.414 -31.311 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -28.304 10.723 -34.013 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -29.036 11.233 -32.505 1.00 0.00 H new ATOM 0 HE ARG A 10 -26.324 11.291 -31.942 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -28.397 12.667 -34.445 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -27.372 14.088 -34.675 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -25.014 13.120 -32.242 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -25.466 14.343 -33.434 1.00 0.00 H new ATOM 131 N ASP A 11 -27.300 5.644 -33.503 1.00 0.00 N ATOM 132 CA ASP A 11 -27.894 4.364 -33.136 1.00 0.00 C ATOM 133 C ASP A 11 -26.906 3.512 -32.346 1.00 0.00 C ATOM 134 O ASP A 11 -25.785 3.939 -32.069 1.00 0.00 O ATOM 135 CB ASP A 11 -28.349 3.611 -34.387 1.00 0.00 C ATOM 136 CG ASP A 11 -29.556 2.731 -34.127 1.00 0.00 C ATOM 137 OD1 ASP A 11 -30.382 3.097 -33.266 1.00 0.00 O ATOM 138 OD2 ASP A 11 -29.673 1.674 -34.784 1.00 0.00 O ATOM 0 H ASP A 11 -26.297 5.709 -33.328 1.00 0.00 H new ATOM 0 HA ASP A 11 -28.761 4.562 -32.505 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -28.588 4.328 -35.172 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -27.528 2.997 -34.756 1.00 0.00 H new ATOM 143 N PHE A 12 -27.329 2.305 -31.985 1.00 0.00 N ATOM 144 CA PHE A 12 -26.482 1.394 -31.225 1.00 0.00 C ATOM 145 C PHE A 12 -26.149 1.976 -29.854 1.00 0.00 C ATOM 146 O PHE A 12 -24.980 2.102 -29.488 1.00 0.00 O ATOM 147 CB PHE A 12 -25.192 1.101 -31.993 1.00 0.00 C ATOM 148 CG PHE A 12 -25.398 0.234 -33.202 1.00 0.00 C ATOM 149 CD1 PHE A 12 -25.761 0.791 -34.417 1.00 0.00 C ATOM 150 CD2 PHE A 12 -25.227 -1.139 -33.123 1.00 0.00 C ATOM 151 CE1 PHE A 12 -25.952 -0.006 -35.531 1.00 0.00 C ATOM 152 CE2 PHE A 12 -25.416 -1.941 -34.233 1.00 0.00 C ATOM 153 CZ PHE A 12 -25.778 -1.373 -35.439 1.00 0.00 C ATOM 0 H PHE A 12 -28.253 1.935 -32.207 1.00 0.00 H new ATOM 0 HA PHE A 12 -27.031 0.463 -31.082 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -24.742 2.044 -32.304 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -24.483 0.615 -31.324 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -25.896 1.860 -34.495 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -24.943 -1.588 -32.183 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -26.237 0.440 -36.472 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -25.281 -3.010 -34.157 1.00 0.00 H new ATOM 0 HZ PHE A 12 -25.925 -1.997 -36.308 1.00 0.00 H new ATOM 163 N ILE A 13 -27.186 2.329 -29.101 1.00 0.00 N ATOM 164 CA ILE A 13 -27.004 2.898 -27.771 1.00 0.00 C ATOM 165 C ILE A 13 -26.411 1.872 -26.811 1.00 0.00 C ATOM 166 O ILE A 13 -26.159 2.173 -25.644 1.00 0.00 O ATOM 167 CB ILE A 13 -28.335 3.415 -27.193 1.00 0.00 C ATOM 168 CG1 ILE A 13 -28.072 4.445 -26.093 1.00 0.00 C ATOM 169 CG2 ILE A 13 -29.164 2.258 -26.656 1.00 0.00 C ATOM 170 CD1 ILE A 13 -29.226 5.397 -25.869 1.00 0.00 C ATOM 0 H ILE A 13 -28.160 2.231 -29.389 1.00 0.00 H new ATOM 0 HA ILE A 13 -26.314 3.735 -27.877 1.00 0.00 H new ATOM 0 HB ILE A 13 -28.897 3.899 -27.991 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -27.856 3.922 -25.161 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -27.182 5.020 -26.350 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -30.101 2.639 -26.251 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -29.376 1.557 -27.463 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -28.609 1.748 -25.869 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -28.970 6.099 -25.076 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -29.428 5.946 -26.788 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -30.113 4.832 -25.581 1.00 0.00 H new ATOM 182 N ILE A 14 -26.189 0.661 -27.311 1.00 0.00 N ATOM 183 CA ILE A 14 -25.622 -0.408 -26.499 1.00 0.00 C ATOM 184 C ILE A 14 -24.736 0.153 -25.392 1.00 0.00 C ATOM 185 O ILE A 14 -24.005 1.123 -25.598 1.00 0.00 O ATOM 186 CB ILE A 14 -24.798 -1.388 -27.354 1.00 0.00 C ATOM 187 CG1 ILE A 14 -25.531 -1.701 -28.660 1.00 0.00 C ATOM 188 CG2 ILE A 14 -24.522 -2.667 -26.576 1.00 0.00 C ATOM 189 CD1 ILE A 14 -26.986 -2.062 -28.465 1.00 0.00 C ATOM 0 H ILE A 14 -26.393 0.396 -28.275 1.00 0.00 H new ATOM 0 HA ILE A 14 -26.460 -0.944 -26.053 1.00 0.00 H new ATOM 0 HB ILE A 14 -23.844 -0.920 -27.598 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -25.465 -0.836 -29.320 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -25.025 -2.525 -29.163 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.939 -3.350 -27.194 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.963 -2.429 -25.671 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -25.466 -3.139 -26.306 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -27.442 -2.271 -29.433 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -27.060 -2.945 -27.831 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -27.507 -1.230 -27.991 1.00 0.00 H new ATOM 201 N LEU A 15 -24.804 -0.464 -24.217 1.00 0.00 N ATOM 202 CA LEU A 15 -24.006 -0.027 -23.077 1.00 0.00 C ATOM 203 C LEU A 15 -24.093 -1.034 -21.934 1.00 0.00 C ATOM 204 O LEU A 15 -24.868 -1.988 -21.991 1.00 0.00 O ATOM 205 CB LEU A 15 -24.476 1.347 -22.597 1.00 0.00 C ATOM 206 CG LEU A 15 -25.760 1.366 -21.766 1.00 0.00 C ATOM 207 CD1 LEU A 15 -25.770 2.561 -20.827 1.00 0.00 C ATOM 208 CD2 LEU A 15 -26.981 1.387 -22.673 1.00 0.00 C ATOM 0 H LEU A 15 -25.403 -1.268 -24.029 1.00 0.00 H new ATOM 0 HA LEU A 15 -22.967 0.043 -23.398 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -23.678 1.795 -22.006 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -24.622 1.984 -23.469 1.00 0.00 H new ATOM 0 HG LEU A 15 -25.795 0.458 -21.164 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -26.691 2.558 -20.244 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -24.914 2.502 -20.154 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -25.712 3.481 -21.408 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -27.886 1.400 -22.065 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -26.953 2.278 -23.301 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -26.981 0.498 -23.304 1.00 0.00 H new ATOM 220 N GLY A 16 -23.293 -0.814 -20.895 1.00 0.00 N ATOM 221 CA GLY A 16 -23.296 -1.709 -19.753 1.00 0.00 C ATOM 222 C GLY A 16 -22.020 -1.617 -18.941 1.00 0.00 C ATOM 223 O GLY A 16 -20.929 -1.862 -19.456 1.00 0.00 O ATOM 0 H GLY A 16 -22.643 -0.031 -20.824 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -24.147 -1.475 -19.114 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -23.430 -2.734 -20.099 1.00 0.00 H new ATOM 227 N ASN A 17 -22.155 -1.261 -17.667 1.00 0.00 N ATOM 228 CA ASN A 17 -21.002 -1.135 -16.783 1.00 0.00 C ATOM 229 C ASN A 17 -21.436 -1.148 -15.320 1.00 0.00 C ATOM 230 O ASN A 17 -22.520 -0.677 -14.978 1.00 0.00 O ATOM 231 CB ASN A 17 -20.237 0.154 -17.088 1.00 0.00 C ATOM 232 CG ASN A 17 -19.946 0.317 -18.567 1.00 0.00 C ATOM 233 OD1 ASN A 17 -18.855 -0.009 -19.036 1.00 0.00 O ATOM 234 ND2 ASN A 17 -20.923 0.823 -19.310 1.00 0.00 N ATOM 0 H ASN A 17 -23.051 -1.055 -17.224 1.00 0.00 H new ATOM 0 HA ASN A 17 -20.346 -1.988 -16.958 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.816 1.009 -16.738 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.299 0.156 -16.533 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -20.785 0.955 -20.312 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.811 1.079 -18.879 1.00 0.00 H new ATOM 241 N GLY A 18 -20.580 -1.691 -14.459 1.00 0.00 N ATOM 242 CA GLY A 18 -20.892 -1.755 -13.043 1.00 0.00 C ATOM 243 C GLY A 18 -19.879 -2.570 -12.263 1.00 0.00 C ATOM 244 O GLY A 18 -19.064 -3.296 -12.832 1.00 0.00 O ATOM 0 H GLY A 18 -19.676 -2.088 -14.717 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.931 -0.744 -12.637 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -21.883 -2.190 -12.912 1.00 0.00 H new ATOM 248 N PRO A 19 -19.922 -2.452 -10.927 1.00 0.00 N ATOM 249 CA PRO A 19 -19.008 -3.176 -10.039 1.00 0.00 C ATOM 250 C PRO A 19 -19.289 -4.675 -10.015 1.00 0.00 C ATOM 251 O PRO A 19 -20.190 -5.136 -9.314 1.00 0.00 O ATOM 252 CB PRO A 19 -19.284 -2.558 -8.666 1.00 0.00 C ATOM 253 CG PRO A 19 -20.679 -2.043 -8.756 1.00 0.00 C ATOM 254 CD PRO A 19 -20.868 -1.605 -10.182 1.00 0.00 C ATOM 0 HA PRO A 19 -17.971 -3.087 -10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.186 -3.298 -7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.580 -1.756 -8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -21.398 -2.816 -8.487 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -20.833 -1.211 -8.069 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -21.894 -1.758 -10.517 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -20.646 -0.546 -10.310 1.00 0.00 H new ATOM 262 N ARG A 20 -18.511 -5.430 -10.783 1.00 0.00 N ATOM 263 CA ARG A 20 -18.677 -6.877 -10.850 1.00 0.00 C ATOM 264 C ARG A 20 -17.798 -7.574 -9.815 1.00 0.00 C ATOM 265 O ARG A 20 -18.215 -8.545 -9.182 1.00 0.00 O ATOM 266 CB ARG A 20 -18.335 -7.388 -12.251 1.00 0.00 C ATOM 267 CG ARG A 20 -19.432 -7.143 -13.273 1.00 0.00 C ATOM 268 CD ARG A 20 -19.067 -7.719 -14.632 1.00 0.00 C ATOM 269 NE ARG A 20 -20.245 -7.951 -15.463 1.00 0.00 N ATOM 270 CZ ARG A 20 -21.019 -9.026 -15.357 1.00 0.00 C ATOM 271 NH1 ARG A 20 -20.740 -9.962 -14.460 1.00 0.00 N ATOM 272 NH2 ARG A 20 -22.074 -9.166 -16.149 1.00 0.00 N ATOM 0 H ARG A 20 -17.760 -5.064 -11.368 1.00 0.00 H new ATOM 0 HA ARG A 20 -19.720 -7.107 -10.631 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.419 -6.905 -12.591 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.131 -8.457 -12.199 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.362 -7.592 -12.924 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.611 -6.072 -13.367 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.390 -7.036 -15.145 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.529 -8.657 -14.495 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.487 -7.250 -16.163 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.930 -9.858 -13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.336 -10.786 -14.381 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.292 -8.448 -16.840 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -22.667 -9.992 -16.067 1.00 0.00 H new ATOM 286 N LEU A 21 -16.579 -7.072 -9.647 1.00 0.00 N ATOM 287 CA LEU A 21 -15.641 -7.645 -8.689 1.00 0.00 C ATOM 288 C LEU A 21 -16.283 -7.782 -7.312 1.00 0.00 C ATOM 289 O LEU A 21 -16.680 -6.791 -6.701 1.00 0.00 O ATOM 290 CB LEU A 21 -14.385 -6.777 -8.594 1.00 0.00 C ATOM 291 CG LEU A 21 -13.253 -7.126 -9.562 1.00 0.00 C ATOM 292 CD1 LEU A 21 -12.781 -8.554 -9.339 1.00 0.00 C ATOM 293 CD2 LEU A 21 -13.703 -6.929 -11.002 1.00 0.00 C ATOM 0 H LEU A 21 -16.218 -6.269 -10.162 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.363 -8.639 -9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.672 -5.739 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.999 -6.842 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.416 -6.455 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.976 -8.784 -10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.418 -8.662 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.611 -9.241 -9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.885 -7.182 -11.677 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.556 -7.575 -11.208 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.990 -5.889 -11.154 1.00 0.00 H new ATOM 305 N GLN A 22 -16.380 -9.017 -6.831 1.00 0.00 N ATOM 306 CA GLN A 22 -16.973 -9.283 -5.525 1.00 0.00 C ATOM 307 C GLN A 22 -15.940 -9.868 -4.567 1.00 0.00 C ATOM 308 O GLN A 22 -15.873 -11.081 -4.377 1.00 0.00 O ATOM 309 CB GLN A 22 -18.156 -10.242 -5.665 1.00 0.00 C ATOM 310 CG GLN A 22 -18.793 -10.620 -4.338 1.00 0.00 C ATOM 311 CD GLN A 22 -19.417 -9.432 -3.631 1.00 0.00 C ATOM 312 OE1 GLN A 22 -20.456 -8.922 -4.050 1.00 0.00 O ATOM 313 NE2 GLN A 22 -18.784 -8.986 -2.553 1.00 0.00 N ATOM 0 H GLN A 22 -16.056 -9.849 -7.325 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.327 -8.337 -5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.911 -9.783 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.820 -11.149 -6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -19.557 -11.379 -4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.038 -11.068 -3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.925 -9.440 -2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -19.156 -8.190 -2.036 1.00 0.00 H new ATOM 322 N ASN A 23 -15.136 -8.996 -3.967 1.00 0.00 N ATOM 323 CA ASN A 23 -14.106 -9.426 -3.029 1.00 0.00 C ATOM 324 C ASN A 23 -13.753 -8.304 -2.057 1.00 0.00 C ATOM 325 O ASN A 23 -13.210 -7.272 -2.454 1.00 0.00 O ATOM 326 CB ASN A 23 -12.853 -9.873 -3.786 1.00 0.00 C ATOM 327 CG ASN A 23 -13.170 -10.846 -4.905 1.00 0.00 C ATOM 328 OD1 ASN A 23 -12.963 -12.052 -4.772 1.00 0.00 O ATOM 329 ND2 ASN A 23 -13.676 -10.324 -6.017 1.00 0.00 N ATOM 0 H ASN A 23 -15.178 -7.988 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.498 -10.268 -2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.351 -8.999 -4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.158 -10.340 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.909 -10.929 -6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.831 -9.318 -6.084 1.00 0.00 H new ATOM 336 N SER A 24 -14.063 -8.514 -0.782 1.00 0.00 N ATOM 337 CA SER A 24 -13.782 -7.520 0.247 1.00 0.00 C ATOM 338 C SER A 24 -12.376 -7.704 0.811 1.00 0.00 C ATOM 339 O SER A 24 -12.161 -7.610 2.019 1.00 0.00 O ATOM 340 CB SER A 24 -14.812 -7.616 1.374 1.00 0.00 C ATOM 341 OG SER A 24 -16.001 -6.921 1.039 1.00 0.00 O ATOM 0 H SER A 24 -14.509 -9.364 -0.437 1.00 0.00 H new ATOM 0 HA SER A 24 -13.845 -6.533 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.042 -8.663 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.392 -7.203 2.291 1.00 0.00 H new ATOM 0 HG SER A 24 -16.644 -6.999 1.775 1.00 0.00 H new ATOM 347 N THR A 25 -11.420 -7.967 -0.075 1.00 0.00 N ATOM 348 CA THR A 25 -10.035 -8.166 0.332 1.00 0.00 C ATOM 349 C THR A 25 -9.560 -7.035 1.237 1.00 0.00 C ATOM 350 O THR A 25 -10.257 -6.035 1.416 1.00 0.00 O ATOM 351 CB THR A 25 -9.099 -8.260 -0.887 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.356 -7.176 -1.787 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.287 -9.584 -1.613 1.00 0.00 C ATOM 0 H THR A 25 -11.580 -8.047 -1.079 1.00 0.00 H new ATOM 0 HA THR A 25 -9.999 -9.107 0.881 1.00 0.00 H new ATOM 0 HB THR A 25 -8.070 -8.201 -0.532 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.009 -7.400 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.615 -9.627 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.062 -10.406 -0.934 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.318 -9.668 -1.955 1.00 0.00 H new ATOM 361 N TYR A 26 -8.371 -7.198 1.805 1.00 0.00 N ATOM 362 CA TYR A 26 -7.803 -6.190 2.693 1.00 0.00 C ATOM 363 C TYR A 26 -6.623 -5.485 2.033 1.00 0.00 C ATOM 364 O TYR A 26 -5.672 -6.127 1.588 1.00 0.00 O ATOM 365 CB TYR A 26 -7.358 -6.832 4.008 1.00 0.00 C ATOM 366 CG TYR A 26 -8.503 -7.174 4.934 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.638 -7.819 4.458 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.451 -6.851 6.285 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.687 -8.133 5.300 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.495 -7.162 7.134 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.611 -7.803 6.637 1.00 0.00 C ATOM 372 OH TYR A 26 -11.654 -8.113 7.480 1.00 0.00 O ATOM 0 H TYR A 26 -7.781 -8.019 1.667 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.575 -5.449 2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.797 -7.740 3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.677 -6.153 4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.701 -8.079 3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.579 -6.348 6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.562 -8.634 4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.438 -6.905 8.181 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.299 -8.411 8.344 1.00 0.00 H new ATOM 382 N GLN A 27 -6.692 -4.159 1.975 1.00 0.00 N ATOM 383 CA GLN A 27 -5.629 -3.365 1.370 1.00 0.00 C ATOM 384 C GLN A 27 -4.636 -2.889 2.425 1.00 0.00 C ATOM 385 O GLN A 27 -4.922 -1.971 3.194 1.00 0.00 O ATOM 386 CB GLN A 27 -6.220 -2.163 0.630 1.00 0.00 C ATOM 387 CG GLN A 27 -6.522 -2.438 -0.834 1.00 0.00 C ATOM 388 CD GLN A 27 -5.382 -2.040 -1.750 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.561 -1.245 -2.674 1.00 0.00 O ATOM 390 NE2 GLN A 27 -4.200 -2.590 -1.499 1.00 0.00 N ATOM 0 H GLN A 27 -7.472 -3.612 2.339 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.099 -3.997 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.138 -1.855 1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.524 -1.327 0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.734 -3.499 -0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.422 -1.895 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.096 -3.244 -0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.396 -2.359 -2.082 1.00 0.00 H new ATOM 399 N CYS A 28 -3.467 -3.521 2.457 1.00 0.00 N ATOM 400 CA CYS A 28 -2.431 -3.164 3.419 1.00 0.00 C ATOM 401 C CYS A 28 -2.011 -1.706 3.250 1.00 0.00 C ATOM 402 O CYS A 28 -1.887 -1.210 2.130 1.00 0.00 O ATOM 403 CB CYS A 28 -1.216 -4.078 3.253 1.00 0.00 C ATOM 404 SG CYS A 28 -0.032 -4.000 4.636 1.00 0.00 S ATOM 0 H CYS A 28 -3.214 -4.283 1.828 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.840 -3.292 4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.561 -5.106 3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.699 -3.813 2.331 1.00 0.00 H new ATOM 409 N LYS A 29 -1.793 -1.026 4.370 1.00 0.00 N ATOM 410 CA LYS A 29 -1.386 0.374 4.348 1.00 0.00 C ATOM 411 C LYS A 29 0.125 0.504 4.519 1.00 0.00 C ATOM 412 O LYS A 29 0.617 1.505 5.040 1.00 0.00 O ATOM 413 CB LYS A 29 -2.103 1.153 5.453 1.00 0.00 C ATOM 414 CG LYS A 29 -1.807 0.637 6.851 1.00 0.00 C ATOM 415 CD LYS A 29 -0.595 1.326 7.454 1.00 0.00 C ATOM 416 CE LYS A 29 -0.647 1.316 8.974 1.00 0.00 C ATOM 417 NZ LYS A 29 0.598 1.868 9.576 1.00 0.00 N ATOM 0 H LYS A 29 -1.891 -1.422 5.305 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.662 0.791 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.813 2.202 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.178 1.109 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.674 0.799 7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.634 -0.439 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.314 0.827 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.545 2.355 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.503 1.900 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.799 0.295 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.741 1.453 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.410 1.636 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.514 2.901 9.662 1.00 0.00 H new ATOM 431 N HIS A 30 0.856 -0.514 4.075 1.00 0.00 N ATOM 432 CA HIS A 30 2.311 -0.512 4.177 1.00 0.00 C ATOM 433 C HIS A 30 2.950 -0.845 2.832 1.00 0.00 C ATOM 434 O HIS A 30 3.952 -0.244 2.444 1.00 0.00 O ATOM 435 CB HIS A 30 2.770 -1.515 5.236 1.00 0.00 C ATOM 436 CG HIS A 30 2.865 -0.933 6.612 1.00 0.00 C ATOM 437 ND1 HIS A 30 2.255 -1.498 7.712 1.00 0.00 N ATOM 438 CD2 HIS A 30 3.505 0.171 7.064 1.00 0.00 C ATOM 439 CE1 HIS A 30 2.515 -0.766 8.781 1.00 0.00 C ATOM 440 NE2 HIS A 30 3.271 0.253 8.415 1.00 0.00 N ATOM 0 H HIS A 30 0.465 -1.350 3.641 1.00 0.00 H new ATOM 0 HA HIS A 30 2.629 0.488 4.473 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.076 -2.355 5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.744 -1.912 4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.091 0.859 6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.168 -0.967 9.784 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.624 0.982 9.035 1.00 0.00 H new ATOM 448 N CYS A 31 2.365 -1.807 2.126 1.00 0.00 N ATOM 449 CA CYS A 31 2.877 -2.221 0.826 1.00 0.00 C ATOM 450 C CYS A 31 1.783 -2.156 -0.236 1.00 0.00 C ATOM 451 O CYS A 31 2.051 -2.306 -1.428 1.00 0.00 O ATOM 452 CB CYS A 31 3.441 -3.641 0.906 1.00 0.00 C ATOM 453 SG CYS A 31 2.239 -4.888 1.469 1.00 0.00 S ATOM 0 H CYS A 31 1.535 -2.315 2.433 1.00 0.00 H new ATOM 0 HA CYS A 31 3.675 -1.535 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.813 -3.929 -0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.295 -3.644 1.583 1.00 0.00 H new ATOM 458 N ASP A 32 0.551 -1.930 0.206 1.00 0.00 N ATOM 459 CA ASP A 32 -0.585 -1.843 -0.705 1.00 0.00 C ATOM 460 C ASP A 32 -0.894 -3.205 -1.319 1.00 0.00 C ATOM 461 O ASP A 32 -1.088 -3.322 -2.529 1.00 0.00 O ATOM 462 CB ASP A 32 -0.302 -0.824 -1.811 1.00 0.00 C ATOM 463 CG ASP A 32 -1.535 -0.504 -2.632 1.00 0.00 C ATOM 464 OD1 ASP A 32 -2.391 0.262 -2.143 1.00 0.00 O ATOM 465 OD2 ASP A 32 -1.645 -1.020 -3.764 1.00 0.00 O ATOM 0 H ASP A 32 0.313 -1.804 1.190 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.454 -1.516 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.083 0.094 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.477 -1.211 -2.467 1.00 0.00 H new ATOM 470 N SER A 33 -0.938 -4.232 -0.476 1.00 0.00 N ATOM 471 CA SER A 33 -1.219 -5.587 -0.936 1.00 0.00 C ATOM 472 C SER A 33 -2.698 -5.921 -0.769 1.00 0.00 C ATOM 473 O SER A 33 -3.500 -5.069 -0.385 1.00 0.00 O ATOM 474 CB SER A 33 -0.366 -6.597 -0.166 1.00 0.00 C ATOM 475 OG SER A 33 -0.436 -7.881 -0.761 1.00 0.00 O ATOM 0 H SER A 33 -0.783 -4.151 0.529 1.00 0.00 H new ATOM 0 HA SER A 33 -0.969 -5.644 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.670 -6.260 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.707 -6.653 0.868 1.00 0.00 H new ATOM 0 HG SER A 33 -0.472 -7.788 -1.736 1.00 0.00 H new ATOM 481 N LYS A 34 -3.053 -7.168 -1.060 1.00 0.00 N ATOM 482 CA LYS A 34 -4.435 -7.619 -0.942 1.00 0.00 C ATOM 483 C LYS A 34 -4.510 -8.956 -0.212 1.00 0.00 C ATOM 484 O LYS A 34 -3.884 -9.934 -0.620 1.00 0.00 O ATOM 485 CB LYS A 34 -5.072 -7.745 -2.328 1.00 0.00 C ATOM 486 CG LYS A 34 -5.671 -6.448 -2.842 1.00 0.00 C ATOM 487 CD LYS A 34 -6.568 -6.687 -4.045 1.00 0.00 C ATOM 488 CE LYS A 34 -5.755 -6.912 -5.311 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.443 -8.353 -5.522 1.00 0.00 N ATOM 0 H LYS A 34 -2.402 -7.885 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.985 -6.878 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.318 -8.093 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.851 -8.506 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.245 -5.971 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.871 -5.759 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.203 -7.554 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.229 -5.831 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.307 -6.531 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.826 -6.344 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.421 -8.468 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.733 -8.897 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.958 -8.701 -6.356 1.00 0.00 H new ATOM 503 N LEU A 35 -5.282 -8.991 0.869 1.00 0.00 N ATOM 504 CA LEU A 35 -5.441 -10.209 1.656 1.00 0.00 C ATOM 505 C LEU A 35 -6.907 -10.624 1.727 1.00 0.00 C ATOM 506 O LEU A 35 -7.803 -9.815 1.485 1.00 0.00 O ATOM 507 CB LEU A 35 -4.888 -10.004 3.067 1.00 0.00 C ATOM 508 CG LEU A 35 -3.368 -10.084 3.211 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.689 -9.148 2.223 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.949 -9.754 4.636 1.00 0.00 C ATOM 0 H LEU A 35 -5.807 -8.190 1.220 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.881 -11.005 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.216 -9.028 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.335 -10.751 3.723 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.054 -11.104 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.608 -9.218 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.963 -9.431 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.009 -8.124 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.864 -9.816 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.275 -8.745 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.407 -10.465 5.324 1.00 0.00 H new ATOM 522 N GLN A 36 -7.144 -11.888 2.062 1.00 0.00 N ATOM 523 CA GLN A 36 -8.502 -12.409 2.167 1.00 0.00 C ATOM 524 C GLN A 36 -9.259 -11.731 3.304 1.00 0.00 C ATOM 525 O GLN A 36 -10.300 -11.111 3.087 1.00 0.00 O ATOM 526 CB GLN A 36 -8.474 -13.922 2.388 1.00 0.00 C ATOM 527 CG GLN A 36 -8.225 -14.718 1.117 1.00 0.00 C ATOM 528 CD GLN A 36 -6.749 -14.927 0.839 1.00 0.00 C ATOM 529 OE1 GLN A 36 -5.894 -14.285 1.449 1.00 0.00 O ATOM 530 NE2 GLN A 36 -6.442 -15.829 -0.085 1.00 0.00 N ATOM 0 H GLN A 36 -6.414 -12.570 2.265 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.020 -12.195 1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.697 -14.160 3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.423 -14.235 2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.716 -15.688 1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.680 -14.199 0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.183 -16.339 -0.566 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.465 -16.013 -0.314 1.00 0.00 H new ATOM 539 N SER A 37 -8.729 -11.853 4.517 1.00 0.00 N ATOM 540 CA SER A 37 -9.357 -11.255 5.689 1.00 0.00 C ATOM 541 C SER A 37 -8.325 -10.979 6.778 1.00 0.00 C ATOM 542 O SER A 37 -7.157 -11.349 6.651 1.00 0.00 O ATOM 543 CB SER A 37 -10.453 -12.175 6.231 1.00 0.00 C ATOM 544 OG SER A 37 -11.499 -12.333 5.288 1.00 0.00 O ATOM 0 H SER A 37 -7.866 -12.361 4.714 1.00 0.00 H new ATOM 0 HA SER A 37 -9.803 -10.307 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.028 -13.149 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.853 -11.762 7.157 1.00 0.00 H new ATOM 0 HG SER A 37 -12.186 -12.926 5.658 1.00 0.00 H new ATOM 550 N THR A 38 -8.763 -10.326 7.849 1.00 0.00 N ATOM 551 CA THR A 38 -7.879 -9.998 8.960 1.00 0.00 C ATOM 552 C THR A 38 -6.963 -11.169 9.297 1.00 0.00 C ATOM 553 O THR A 38 -5.749 -11.006 9.415 1.00 0.00 O ATOM 554 CB THR A 38 -8.677 -9.607 10.218 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.661 -8.621 9.886 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.754 -9.067 11.299 1.00 0.00 C ATOM 0 H THR A 38 -9.726 -10.013 7.971 1.00 0.00 H new ATOM 0 HA THR A 38 -7.276 -9.147 8.643 1.00 0.00 H new ATOM 0 HB THR A 38 -9.172 -10.500 10.600 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.510 -8.303 8.972 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.341 -8.798 12.177 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.025 -9.831 11.570 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.234 -8.185 10.926 1.00 0.00 H new ATOM 564 N ALA A 39 -7.552 -12.350 9.451 1.00 0.00 N ATOM 565 CA ALA A 39 -6.788 -13.549 9.772 1.00 0.00 C ATOM 566 C ALA A 39 -5.466 -13.578 9.013 1.00 0.00 C ATOM 567 O ALA A 39 -4.439 -13.986 9.553 1.00 0.00 O ATOM 568 CB ALA A 39 -7.605 -14.795 9.460 1.00 0.00 C ATOM 0 H ALA A 39 -8.556 -12.502 9.359 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.564 -13.532 10.839 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.022 -15.683 9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.520 -14.787 10.052 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.858 -14.808 8.400 1.00 0.00 H new ATOM 574 N GLU A 40 -5.501 -13.142 7.757 1.00 0.00 N ATOM 575 CA GLU A 40 -4.304 -13.119 6.924 1.00 0.00 C ATOM 576 C GLU A 40 -3.432 -11.912 7.257 1.00 0.00 C ATOM 577 O GLU A 40 -2.205 -12.014 7.309 1.00 0.00 O ATOM 578 CB GLU A 40 -4.688 -13.092 5.443 1.00 0.00 C ATOM 579 CG GLU A 40 -5.083 -14.452 4.891 1.00 0.00 C ATOM 580 CD GLU A 40 -6.266 -15.056 5.622 1.00 0.00 C ATOM 581 OE1 GLU A 40 -7.415 -14.711 5.277 1.00 0.00 O ATOM 582 OE2 GLU A 40 -6.042 -15.874 6.539 1.00 0.00 O ATOM 0 H GLU A 40 -6.344 -12.801 7.295 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.733 -14.025 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.517 -12.398 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.848 -12.705 4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.326 -14.354 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.232 -15.130 4.961 1.00 0.00 H new ATOM 589 N LEU A 41 -4.073 -10.771 7.481 1.00 0.00 N ATOM 590 CA LEU A 41 -3.357 -9.543 7.809 1.00 0.00 C ATOM 591 C LEU A 41 -2.524 -9.719 9.075 1.00 0.00 C ATOM 592 O LEU A 41 -1.355 -9.333 9.121 1.00 0.00 O ATOM 593 CB LEU A 41 -4.342 -8.387 7.990 1.00 0.00 C ATOM 594 CG LEU A 41 -3.772 -6.982 7.795 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.197 -6.828 6.396 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.843 -5.931 8.052 1.00 0.00 C ATOM 0 H LEU A 41 -5.087 -10.670 7.442 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.684 -9.313 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.165 -8.524 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.765 -8.450 8.993 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.967 -6.835 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.796 -5.822 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.400 -7.556 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.983 -6.996 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.419 -4.937 7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.670 -6.077 7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.208 -6.026 9.075 1.00 0.00 H new ATOM 608 N THR A 42 -3.132 -10.307 10.100 1.00 0.00 N ATOM 609 CA THR A 42 -2.447 -10.536 11.366 1.00 0.00 C ATOM 610 C THR A 42 -1.110 -11.236 11.149 1.00 0.00 C ATOM 611 O THR A 42 -0.150 -11.000 11.882 1.00 0.00 O ATOM 612 CB THR A 42 -3.307 -11.382 12.325 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.552 -10.722 12.578 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.577 -11.621 13.638 1.00 0.00 C ATOM 0 H THR A 42 -4.098 -10.634 10.078 1.00 0.00 H new ATOM 0 HA THR A 42 -2.273 -9.557 11.813 1.00 0.00 H new ATOM 0 HB THR A 42 -3.497 -12.346 11.853 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.093 -11.267 13.187 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.203 -12.220 14.299 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.644 -12.150 13.444 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.360 -10.664 14.113 1.00 0.00 H new ATOM 622 N SER A 43 -1.055 -12.096 10.137 1.00 0.00 N ATOM 623 CA SER A 43 0.164 -12.832 9.826 1.00 0.00 C ATOM 624 C SER A 43 1.042 -12.045 8.857 1.00 0.00 C ATOM 625 O SER A 43 2.268 -12.051 8.968 1.00 0.00 O ATOM 626 CB SER A 43 -0.178 -14.198 9.227 1.00 0.00 C ATOM 627 OG SER A 43 0.840 -15.145 9.502 1.00 0.00 O ATOM 0 H SER A 43 -1.840 -12.300 9.519 1.00 0.00 H new ATOM 0 HA SER A 43 0.717 -12.978 10.754 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.126 -14.550 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.309 -14.103 8.149 1.00 0.00 H new ATOM 0 HG SER A 43 0.597 -16.010 9.110 1.00 0.00 H new ATOM 633 N HIS A 44 0.404 -11.369 7.907 1.00 0.00 N ATOM 634 CA HIS A 44 1.125 -10.575 6.918 1.00 0.00 C ATOM 635 C HIS A 44 1.846 -9.405 7.581 1.00 0.00 C ATOM 636 O HIS A 44 3.070 -9.292 7.502 1.00 0.00 O ATOM 637 CB HIS A 44 0.163 -10.057 5.849 1.00 0.00 C ATOM 638 CG HIS A 44 0.758 -9.000 4.970 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.776 -9.251 4.075 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.470 -7.683 4.850 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.091 -8.134 3.445 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.312 -7.167 3.896 1.00 0.00 N ATOM 0 H HIS A 44 -0.610 -11.355 7.801 1.00 0.00 H new ATOM 0 HA HIS A 44 1.869 -11.217 6.446 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.163 -10.892 5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.726 -9.655 6.336 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.217 -10.158 3.923 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.282 -7.139 5.402 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.856 -8.029 2.689 1.00 0.00 H new ATOM 650 N LEU A 45 1.080 -8.538 8.233 1.00 0.00 N ATOM 651 CA LEU A 45 1.646 -7.376 8.910 1.00 0.00 C ATOM 652 C LEU A 45 2.868 -7.766 9.734 1.00 0.00 C ATOM 653 O LEU A 45 3.916 -7.127 9.650 1.00 0.00 O ATOM 654 CB LEU A 45 0.596 -6.725 9.812 1.00 0.00 C ATOM 655 CG LEU A 45 -0.356 -5.740 9.131 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.399 -5.238 10.117 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.420 -4.575 8.534 1.00 0.00 C ATOM 0 H LEU A 45 0.066 -8.617 8.308 1.00 0.00 H new ATOM 0 HA LEU A 45 1.958 -6.660 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.002 -7.514 10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.112 -6.203 10.618 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.870 -6.261 8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.067 -4.538 9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.976 -6.081 10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.903 -4.734 10.946 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.273 -3.884 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.961 -4.055 9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.129 -4.950 7.796 1.00 0.00 H new ATOM 669 N ASN A 46 2.727 -8.822 10.529 1.00 0.00 N ATOM 670 CA ASN A 46 3.821 -9.300 11.367 1.00 0.00 C ATOM 671 C ASN A 46 5.150 -9.220 10.623 1.00 0.00 C ATOM 672 O ASN A 46 6.173 -8.846 11.198 1.00 0.00 O ATOM 673 CB ASN A 46 3.558 -10.740 11.813 1.00 0.00 C ATOM 674 CG ASN A 46 2.601 -10.816 12.986 1.00 0.00 C ATOM 675 OD1 ASN A 46 2.215 -9.795 13.555 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.212 -12.032 13.354 1.00 0.00 N ATOM 0 H ASN A 46 1.866 -9.363 10.610 1.00 0.00 H new ATOM 0 HA ASN A 46 3.879 -8.660 12.247 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.149 -11.308 10.977 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.502 -11.211 12.087 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.568 -12.146 14.137 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.557 -12.851 12.854 1.00 0.00 H new ATOM 683 N ILE A 47 5.128 -9.574 9.343 1.00 0.00 N ATOM 684 CA ILE A 47 6.331 -9.542 8.521 1.00 0.00 C ATOM 685 C ILE A 47 7.023 -8.186 8.613 1.00 0.00 C ATOM 686 O ILE A 47 8.226 -8.106 8.867 1.00 0.00 O ATOM 687 CB ILE A 47 6.013 -9.843 7.045 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.352 -11.217 6.913 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.280 -9.777 6.205 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.735 -11.463 5.554 1.00 0.00 C ATOM 0 H ILE A 47 4.290 -9.886 8.852 1.00 0.00 H new ATOM 0 HA ILE A 47 6.996 -10.315 8.906 1.00 0.00 H new ATOM 0 HB ILE A 47 5.317 -9.088 6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.095 -11.989 7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.580 -11.315 7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.038 -9.992 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.713 -8.780 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.997 -10.512 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.285 -12.456 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.968 -10.713 5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.507 -11.398 4.787 1.00 0.00 H new ATOM 702 N HIS A 48 6.255 -7.120 8.408 1.00 0.00 N ATOM 703 CA HIS A 48 6.794 -5.766 8.470 1.00 0.00 C ATOM 704 C HIS A 48 7.507 -5.526 9.797 1.00 0.00 C ATOM 705 O HIS A 48 8.696 -5.212 9.825 1.00 0.00 O ATOM 706 CB HIS A 48 5.675 -4.741 8.286 1.00 0.00 C ATOM 707 CG HIS A 48 5.111 -4.712 6.899 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.867 -4.964 5.774 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.856 -4.460 6.459 1.00 0.00 C ATOM 710 CE1 HIS A 48 5.102 -4.867 4.701 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.877 -4.563 5.090 1.00 0.00 N ATOM 0 H HIS A 48 5.258 -7.168 8.198 1.00 0.00 H new ATOM 0 HA HIS A 48 7.518 -5.651 7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.873 -4.960 8.991 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.056 -3.751 8.535 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.862 -5.190 5.770 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.998 -4.222 7.071 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.424 -5.012 3.680 1.00 0.00 H new ATOM 719 N ASN A 49 6.772 -5.675 10.894 1.00 0.00 N ATOM 720 CA ASN A 49 7.335 -5.473 12.224 1.00 0.00 C ATOM 721 C ASN A 49 8.692 -6.157 12.351 1.00 0.00 C ATOM 722 O ASN A 49 9.698 -5.511 12.642 1.00 0.00 O ATOM 723 CB ASN A 49 6.379 -6.010 13.292 1.00 0.00 C ATOM 724 CG ASN A 49 5.052 -5.276 13.303 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.865 -4.299 12.577 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.124 -5.743 14.130 1.00 0.00 N ATOM 0 H ASN A 49 5.786 -5.935 10.888 1.00 0.00 H new ATOM 0 HA ASN A 49 7.473 -4.402 12.374 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.202 -7.071 13.117 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.848 -5.922 14.272 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.212 -5.289 14.182 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.323 -6.556 14.713 1.00 0.00 H new ATOM 733 N GLU A 50 8.712 -7.468 12.129 1.00 0.00 N ATOM 734 CA GLU A 50 9.946 -8.239 12.218 1.00 0.00 C ATOM 735 C GLU A 50 11.052 -7.595 11.387 1.00 0.00 C ATOM 736 O GLU A 50 12.172 -7.413 11.861 1.00 0.00 O ATOM 737 CB GLU A 50 9.711 -9.676 11.748 1.00 0.00 C ATOM 738 CG GLU A 50 8.589 -10.383 12.490 1.00 0.00 C ATOM 739 CD GLU A 50 7.938 -11.473 11.661 1.00 0.00 C ATOM 740 OE1 GLU A 50 8.666 -12.176 10.929 1.00 0.00 O ATOM 741 OE2 GLU A 50 6.701 -11.624 11.744 1.00 0.00 O ATOM 0 H GLU A 50 7.888 -8.018 11.886 1.00 0.00 H new ATOM 0 HA GLU A 50 10.261 -8.252 13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.482 -9.668 10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.632 -10.245 11.872 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.983 -10.817 13.409 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.834 -9.653 12.781 1.00 0.00 H new ATOM 748 N GLU A 51 10.726 -7.252 10.144 1.00 0.00 N ATOM 749 CA GLU A 51 11.692 -6.630 9.246 1.00 0.00 C ATOM 750 C GLU A 51 12.294 -5.378 9.878 1.00 0.00 C ATOM 751 O GLU A 51 13.495 -5.129 9.766 1.00 0.00 O ATOM 752 CB GLU A 51 11.028 -6.273 7.915 1.00 0.00 C ATOM 753 CG GLU A 51 10.788 -7.472 7.014 1.00 0.00 C ATOM 754 CD GLU A 51 11.975 -7.779 6.122 1.00 0.00 C ATOM 755 OE1 GLU A 51 12.560 -6.826 5.565 1.00 0.00 O ATOM 756 OE2 GLU A 51 12.319 -8.971 5.980 1.00 0.00 O ATOM 0 H GLU A 51 9.802 -7.394 9.737 1.00 0.00 H new ATOM 0 HA GLU A 51 12.493 -7.346 9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.075 -5.782 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.654 -5.553 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.565 -8.344 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.911 -7.286 6.394 1.00 0.00 H new ATOM 763 N PHE A 52 11.452 -4.594 10.543 1.00 0.00 N ATOM 764 CA PHE A 52 11.899 -3.367 11.192 1.00 0.00 C ATOM 765 C PHE A 52 12.967 -3.665 12.240 1.00 0.00 C ATOM 766 O PHE A 52 13.963 -2.951 12.346 1.00 0.00 O ATOM 767 CB PHE A 52 10.716 -2.649 11.843 1.00 0.00 C ATOM 768 CG PHE A 52 10.943 -1.177 12.040 1.00 0.00 C ATOM 769 CD1 PHE A 52 11.949 -0.725 12.878 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.151 -0.246 11.387 1.00 0.00 C ATOM 771 CE1 PHE A 52 12.160 0.629 13.062 1.00 0.00 C ATOM 772 CE2 PHE A 52 10.358 1.109 11.567 1.00 0.00 C ATOM 773 CZ PHE A 52 11.364 1.547 12.405 1.00 0.00 C ATOM 0 H PHE A 52 10.456 -4.787 10.647 1.00 0.00 H new ATOM 0 HA PHE A 52 12.333 -2.719 10.430 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.830 -2.792 11.225 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.509 -3.109 12.809 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.575 -1.438 13.393 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.363 -0.583 10.730 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.947 0.969 13.719 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.733 1.824 11.053 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.528 2.605 12.547 1.00 0.00 H new ATOM 783 N GLN A 53 12.750 -4.725 13.013 1.00 0.00 N ATOM 784 CA GLN A 53 13.692 -5.116 14.054 1.00 0.00 C ATOM 785 C GLN A 53 15.114 -5.180 13.506 1.00 0.00 C ATOM 786 O GLN A 53 16.045 -4.634 14.098 1.00 0.00 O ATOM 787 CB GLN A 53 13.299 -6.472 14.644 1.00 0.00 C ATOM 788 CG GLN A 53 14.352 -7.062 15.568 1.00 0.00 C ATOM 789 CD GLN A 53 14.594 -6.208 16.797 1.00 0.00 C ATOM 790 OE1 GLN A 53 14.681 -4.983 16.709 1.00 0.00 O ATOM 791 NE2 GLN A 53 14.704 -6.852 17.953 1.00 0.00 N ATOM 0 H GLN A 53 11.930 -5.328 12.937 1.00 0.00 H new ATOM 0 HA GLN A 53 13.659 -4.362 14.840 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.365 -6.362 15.195 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.109 -7.172 13.830 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.040 -8.059 15.879 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.287 -7.177 15.020 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.625 -7.869 17.980 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.867 -6.330 18.814 1.00 0.00 H new ATOM 800 N LYS A 54 15.275 -5.851 12.370 1.00 0.00 N ATOM 801 CA LYS A 54 16.583 -5.986 11.739 1.00 0.00 C ATOM 802 C LYS A 54 17.327 -4.655 11.740 1.00 0.00 C ATOM 803 O LYS A 54 18.488 -4.582 12.144 1.00 0.00 O ATOM 804 CB LYS A 54 16.430 -6.496 10.305 1.00 0.00 C ATOM 805 CG LYS A 54 16.387 -8.010 10.199 1.00 0.00 C ATOM 806 CD LYS A 54 15.008 -8.554 10.532 1.00 0.00 C ATOM 807 CE LYS A 54 14.871 -8.856 12.016 1.00 0.00 C ATOM 808 NZ LYS A 54 15.389 -10.210 12.357 1.00 0.00 N ATOM 0 H LYS A 54 14.515 -6.310 11.867 1.00 0.00 H new ATOM 0 HA LYS A 54 17.164 -6.707 12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.516 -6.084 9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.259 -6.122 9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.664 -8.313 9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.123 -8.444 10.876 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.249 -7.830 10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.825 -9.462 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.412 -8.105 12.591 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.823 -8.785 12.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.278 -10.377 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.856 -10.929 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.396 -10.270 12.104 1.00 0.00 H new ATOM 822 N ARG A 55 16.652 -3.604 11.287 1.00 0.00 N ATOM 823 CA ARG A 55 17.250 -2.275 11.236 1.00 0.00 C ATOM 824 C ARG A 55 17.744 -1.848 12.616 1.00 0.00 C ATOM 825 O ARG A 55 18.937 -1.626 12.817 1.00 0.00 O ATOM 826 CB ARG A 55 16.239 -1.257 10.707 1.00 0.00 C ATOM 827 CG ARG A 55 16.823 0.131 10.501 1.00 0.00 C ATOM 828 CD ARG A 55 17.860 0.140 9.389 1.00 0.00 C ATOM 829 NE ARG A 55 18.013 1.465 8.794 1.00 0.00 N ATOM 830 CZ ARG A 55 17.046 2.089 8.131 1.00 0.00 C ATOM 831 NH1 ARG A 55 15.862 1.512 7.980 1.00 0.00 N ATOM 832 NH2 ARG A 55 17.262 3.294 7.618 1.00 0.00 N ATOM 0 H ARG A 55 15.690 -3.647 10.950 1.00 0.00 H new ATOM 0 HA ARG A 55 18.103 -2.314 10.559 1.00 0.00 H new ATOM 0 HB2 ARG A 55 15.836 -1.616 9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.404 -1.191 11.404 1.00 0.00 H new ATOM 0 HG2 ARG A 55 16.023 0.831 10.260 1.00 0.00 H new ATOM 0 HG3 ARG A 55 17.280 0.476 11.429 1.00 0.00 H new ATOM 0 HD2 ARG A 55 18.819 -0.192 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 55 17.570 -0.573 8.617 1.00 0.00 H new ATOM 0 HE ARG A 55 18.912 1.937 8.893 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.692 0.586 8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.121 1.994 7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 55 18.171 3.742 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.519 3.772 7.109 1.00 0.00 H new ATOM 846 N ALA A 56 16.816 -1.734 13.561 1.00 0.00 N ATOM 847 CA ALA A 56 17.157 -1.335 14.921 1.00 0.00 C ATOM 848 C ALA A 56 18.225 -0.247 14.922 1.00 0.00 C ATOM 849 O ALA A 56 19.113 -0.235 15.775 1.00 0.00 O ATOM 850 CB ALA A 56 17.627 -2.540 15.722 1.00 0.00 C ATOM 0 H ALA A 56 15.823 -1.912 13.410 1.00 0.00 H new ATOM 0 HA ALA A 56 16.261 -0.928 15.390 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.878 -2.228 16.736 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.832 -3.285 15.759 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.508 -2.972 15.247 1.00 0.00 H new ATOM 856 N LYS A 57 18.135 0.666 13.961 1.00 0.00 N ATOM 857 CA LYS A 57 19.093 1.760 13.851 1.00 0.00 C ATOM 858 C LYS A 57 18.381 3.083 13.588 1.00 0.00 C ATOM 859 O LYS A 57 17.250 3.104 13.101 1.00 0.00 O ATOM 860 CB LYS A 57 20.095 1.476 12.730 1.00 0.00 C ATOM 861 CG LYS A 57 21.465 2.087 12.970 1.00 0.00 C ATOM 862 CD LYS A 57 22.567 1.246 12.347 1.00 0.00 C ATOM 863 CE LYS A 57 23.096 0.209 13.325 1.00 0.00 C ATOM 864 NZ LYS A 57 23.980 0.819 14.357 1.00 0.00 N ATOM 0 H LYS A 57 17.407 0.670 13.246 1.00 0.00 H new ATOM 0 HA LYS A 57 19.628 1.838 14.797 1.00 0.00 H new ATOM 0 HB2 LYS A 57 20.203 0.397 12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 57 19.695 1.859 11.791 1.00 0.00 H new ATOM 0 HG2 LYS A 57 21.494 3.093 12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 57 21.640 2.181 14.042 1.00 0.00 H new ATOM 0 HD2 LYS A 57 22.186 0.747 11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 57 23.383 1.894 12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 57 22.259 -0.290 13.813 1.00 0.00 H new ATOM 0 HE3 LYS A 57 23.649 -0.556 12.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 24.479 0.068 14.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 24.674 1.441 13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 23.405 1.375 15.022 1.00 0.00 H new ATOM 878 N ARG A 58 19.050 4.184 13.912 1.00 0.00 N ATOM 879 CA ARG A 58 18.481 5.511 13.710 1.00 0.00 C ATOM 880 C ARG A 58 19.426 6.390 12.897 1.00 0.00 C ATOM 881 O ARG A 58 20.641 6.354 13.089 1.00 0.00 O ATOM 882 CB ARG A 58 18.184 6.172 15.057 1.00 0.00 C ATOM 883 CG ARG A 58 17.776 7.632 14.943 1.00 0.00 C ATOM 884 CD ARG A 58 16.283 7.775 14.691 1.00 0.00 C ATOM 885 NE ARG A 58 15.752 9.020 15.240 1.00 0.00 N ATOM 886 CZ ARG A 58 14.590 9.549 14.872 1.00 0.00 C ATOM 887 NH1 ARG A 58 13.842 8.944 13.960 1.00 0.00 N ATOM 888 NH2 ARG A 58 14.175 10.685 15.417 1.00 0.00 N ATOM 0 H ARG A 58 19.987 4.184 14.316 1.00 0.00 H new ATOM 0 HA ARG A 58 17.550 5.399 13.155 1.00 0.00 H new ATOM 0 HB2 ARG A 58 17.388 5.619 15.556 1.00 0.00 H new ATOM 0 HB3 ARG A 58 19.068 6.099 15.691 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.044 8.158 15.859 1.00 0.00 H new ATOM 0 HG3 ARG A 58 18.330 8.103 14.131 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.092 7.741 13.618 1.00 0.00 H new ATOM 0 HD3 ARG A 58 15.758 6.930 15.136 1.00 0.00 H new ATOM 0 HE ARG A 58 16.303 9.510 15.944 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.158 8.070 13.539 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.950 9.352 13.679 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.748 11.153 16.119 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.283 11.090 15.134 1.00 0.00 H new ATOM 902 N GLN A 59 18.859 7.178 11.989 1.00 0.00 N ATOM 903 CA GLN A 59 19.652 8.065 11.146 1.00 0.00 C ATOM 904 C GLN A 59 20.657 8.854 11.980 1.00 0.00 C ATOM 905 O GLN A 59 20.570 8.884 13.207 1.00 0.00 O ATOM 906 CB GLN A 59 18.740 9.026 10.381 1.00 0.00 C ATOM 907 CG GLN A 59 17.848 8.336 9.362 1.00 0.00 C ATOM 908 CD GLN A 59 16.523 7.892 9.952 1.00 0.00 C ATOM 909 OE1 GLN A 59 15.680 8.718 10.304 1.00 0.00 O ATOM 910 NE2 GLN A 59 16.333 6.583 10.061 1.00 0.00 N ATOM 0 H GLN A 59 17.854 7.220 11.818 1.00 0.00 H new ATOM 0 HA GLN A 59 20.202 7.452 10.432 1.00 0.00 H new ATOM 0 HB2 GLN A 59 18.115 9.565 11.093 1.00 0.00 H new ATOM 0 HB3 GLN A 59 19.354 9.768 9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 59 17.662 9.014 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 59 18.369 7.469 8.956 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.060 5.935 9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.460 6.225 10.449 1.00 0.00 H new ATOM 919 N GLU A 60 21.608 9.491 11.304 1.00 0.00 N ATOM 920 CA GLU A 60 22.630 10.278 11.984 1.00 0.00 C ATOM 921 C GLU A 60 22.013 11.131 13.089 1.00 0.00 C ATOM 922 O GLU A 60 21.066 11.882 12.853 1.00 0.00 O ATOM 923 CB GLU A 60 23.365 11.174 10.984 1.00 0.00 C ATOM 924 CG GLU A 60 22.446 12.104 10.211 1.00 0.00 C ATOM 925 CD GLU A 60 21.594 11.371 9.193 1.00 0.00 C ATOM 926 OE1 GLU A 60 22.084 10.380 8.612 1.00 0.00 O ATOM 927 OE2 GLU A 60 20.436 11.787 8.978 1.00 0.00 O ATOM 0 H GLU A 60 21.692 9.478 10.288 1.00 0.00 H new ATOM 0 HA GLU A 60 23.343 9.588 12.435 1.00 0.00 H new ATOM 0 HB2 GLU A 60 24.105 11.770 11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 60 23.910 10.546 10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 60 21.797 12.631 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 60 23.045 12.859 9.702 1.00 0.00 H new ATOM 934 N ARG A 61 22.557 11.009 14.296 1.00 0.00 N ATOM 935 CA ARG A 61 22.060 11.766 15.438 1.00 0.00 C ATOM 936 C ARG A 61 22.946 11.551 16.661 1.00 0.00 C ATOM 937 O ARG A 61 23.427 10.444 16.904 1.00 0.00 O ATOM 938 CB ARG A 61 20.621 11.359 15.760 1.00 0.00 C ATOM 939 CG ARG A 61 19.865 12.390 16.582 1.00 0.00 C ATOM 940 CD ARG A 61 20.047 12.156 18.074 1.00 0.00 C ATOM 941 NE ARG A 61 19.190 13.026 18.873 1.00 0.00 N ATOM 942 CZ ARG A 61 17.875 12.869 18.977 1.00 0.00 C ATOM 943 NH1 ARG A 61 17.270 11.879 18.336 1.00 0.00 N ATOM 944 NH2 ARG A 61 17.163 13.702 19.725 1.00 0.00 N ATOM 0 H ARG A 61 23.342 10.393 14.508 1.00 0.00 H new ATOM 0 HA ARG A 61 22.082 12.824 15.177 1.00 0.00 H new ATOM 0 HB2 ARG A 61 20.084 11.186 14.827 1.00 0.00 H new ATOM 0 HB3 ARG A 61 20.633 10.413 16.301 1.00 0.00 H new ATOM 0 HG2 ARG A 61 20.215 13.390 16.324 1.00 0.00 H new ATOM 0 HG3 ARG A 61 18.805 12.349 16.333 1.00 0.00 H new ATOM 0 HD2 ARG A 61 19.825 11.115 18.307 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.089 12.327 18.343 1.00 0.00 H new ATOM 0 HE ARG A 61 19.625 13.797 19.380 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.814 11.236 17.761 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.260 11.761 18.417 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.625 14.464 20.221 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.153 13.580 19.804 1.00 0.00 H new ATOM 958 N ARG A 62 23.159 12.616 17.427 1.00 0.00 N ATOM 959 CA ARG A 62 23.989 12.544 18.623 1.00 0.00 C ATOM 960 C ARG A 62 23.811 11.202 19.328 1.00 0.00 C ATOM 961 O ARG A 62 22.761 10.928 19.910 1.00 0.00 O ATOM 962 CB ARG A 62 23.642 13.685 19.580 1.00 0.00 C ATOM 963 CG ARG A 62 23.847 15.067 18.981 1.00 0.00 C ATOM 964 CD ARG A 62 23.898 16.139 20.058 1.00 0.00 C ATOM 965 NE ARG A 62 22.586 16.384 20.650 1.00 0.00 N ATOM 966 CZ ARG A 62 22.384 17.203 21.676 1.00 0.00 C ATOM 967 NH1 ARG A 62 23.403 17.854 22.220 1.00 0.00 N ATOM 968 NH2 ARG A 62 21.160 17.374 22.159 1.00 0.00 N ATOM 0 H ARG A 62 22.768 13.539 17.240 1.00 0.00 H new ATOM 0 HA ARG A 62 25.031 12.639 18.318 1.00 0.00 H new ATOM 0 HB2 ARG A 62 22.602 13.584 19.891 1.00 0.00 H new ATOM 0 HB3 ARG A 62 24.253 13.593 20.478 1.00 0.00 H new ATOM 0 HG2 ARG A 62 24.773 15.082 18.407 1.00 0.00 H new ATOM 0 HG3 ARG A 62 23.037 15.287 18.285 1.00 0.00 H new ATOM 0 HD2 ARG A 62 24.597 15.836 20.838 1.00 0.00 H new ATOM 0 HD3 ARG A 62 24.281 17.065 19.629 1.00 0.00 H new ATOM 0 HE ARG A 62 21.780 15.900 20.254 1.00 0.00 H new ATOM 0 HH11 ARG A 62 24.345 17.727 21.851 1.00 0.00 H new ATOM 0 HH12 ARG A 62 23.245 18.482 23.008 1.00 0.00 H new ATOM 0 HH21 ARG A 62 20.373 16.876 21.742 1.00 0.00 H new ATOM 0 HH22 ARG A 62 21.006 18.003 22.947 1.00 0.00 H new ATOM 982 N LYS A 63 24.844 10.368 19.271 1.00 0.00 N ATOM 983 CA LYS A 63 24.803 9.055 19.904 1.00 0.00 C ATOM 984 C LYS A 63 26.128 8.743 20.594 1.00 0.00 C ATOM 985 O LYS A 63 27.170 9.287 20.230 1.00 0.00 O ATOM 986 CB LYS A 63 24.489 7.975 18.867 1.00 0.00 C ATOM 987 CG LYS A 63 23.759 6.774 19.441 1.00 0.00 C ATOM 988 CD LYS A 63 24.093 5.502 18.680 1.00 0.00 C ATOM 989 CE LYS A 63 22.945 4.506 18.727 1.00 0.00 C ATOM 990 NZ LYS A 63 23.286 3.232 18.035 1.00 0.00 N ATOM 0 H LYS A 63 25.720 10.578 18.793 1.00 0.00 H new ATOM 0 HA LYS A 63 24.015 9.066 20.657 1.00 0.00 H new ATOM 0 HB2 LYS A 63 23.884 8.411 18.072 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.420 7.639 18.411 1.00 0.00 H new ATOM 0 HG2 LYS A 63 24.027 6.652 20.491 1.00 0.00 H new ATOM 0 HG3 LYS A 63 22.684 6.949 19.405 1.00 0.00 H new ATOM 0 HD2 LYS A 63 24.321 5.747 17.643 1.00 0.00 H new ATOM 0 HD3 LYS A 63 24.988 5.047 19.105 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.688 4.297 19.765 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.063 4.947 18.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 22.477 2.580 18.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 23.507 3.427 17.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.112 2.798 18.494 1.00 0.00 H new ATOM 1004 N GLN A 64 26.078 7.863 21.589 1.00 0.00 N ATOM 1005 CA GLN A 64 27.275 7.478 22.328 1.00 0.00 C ATOM 1006 C GLN A 64 27.335 5.966 22.518 1.00 0.00 C ATOM 1007 O GLN A 64 26.415 5.363 23.072 1.00 0.00 O ATOM 1008 CB GLN A 64 27.307 8.177 23.688 1.00 0.00 C ATOM 1009 CG GLN A 64 25.976 8.141 24.422 1.00 0.00 C ATOM 1010 CD GLN A 64 26.104 8.527 25.882 1.00 0.00 C ATOM 1011 OE1 GLN A 64 25.583 9.556 26.312 1.00 0.00 O ATOM 1012 NE2 GLN A 64 26.802 7.702 26.654 1.00 0.00 N ATOM 0 H GLN A 64 25.223 7.404 21.902 1.00 0.00 H new ATOM 0 HA GLN A 64 28.145 7.787 21.748 1.00 0.00 H new ATOM 0 HB2 GLN A 64 28.069 7.708 24.311 1.00 0.00 H new ATOM 0 HB3 GLN A 64 27.606 9.215 23.547 1.00 0.00 H new ATOM 0 HG2 GLN A 64 25.276 8.818 23.931 1.00 0.00 H new ATOM 0 HG3 GLN A 64 25.553 7.139 24.351 1.00 0.00 H new ATOM 0 HE21 GLN A 64 27.217 6.860 26.256 1.00 0.00 H new ATOM 0 HE22 GLN A 64 26.923 7.911 27.645 1.00 0.00 H new ATOM 1021 N LEU A 65 28.422 5.359 22.055 1.00 0.00 N ATOM 1022 CA LEU A 65 28.602 3.916 22.174 1.00 0.00 C ATOM 1023 C LEU A 65 29.445 3.572 23.398 1.00 0.00 C ATOM 1024 O LEU A 65 29.872 4.457 24.140 1.00 0.00 O ATOM 1025 CB LEU A 65 29.262 3.359 20.912 1.00 0.00 C ATOM 1026 CG LEU A 65 28.496 3.569 19.605 1.00 0.00 C ATOM 1027 CD1 LEU A 65 28.856 4.910 18.985 1.00 0.00 C ATOM 1028 CD2 LEU A 65 28.783 2.435 18.631 1.00 0.00 C ATOM 0 H LEU A 65 29.192 5.843 21.594 1.00 0.00 H new ATOM 0 HA LEU A 65 27.619 3.460 22.293 1.00 0.00 H new ATOM 0 HB2 LEU A 65 30.247 3.815 20.810 1.00 0.00 H new ATOM 0 HB3 LEU A 65 29.419 2.289 21.050 1.00 0.00 H new ATOM 0 HG LEU A 65 27.429 3.569 19.827 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.301 5.042 18.056 1.00 0.00 H new ATOM 0 HD12 LEU A 65 28.600 5.712 19.678 1.00 0.00 H new ATOM 0 HD13 LEU A 65 29.925 4.939 18.776 1.00 0.00 H new ATOM 0 HD21 LEU A 65 28.230 2.601 17.707 1.00 0.00 H new ATOM 0 HD22 LEU A 65 29.851 2.403 18.414 1.00 0.00 H new ATOM 0 HD23 LEU A 65 28.474 1.488 19.074 1.00 0.00 H new ATOM 1040 N LEU A 66 29.684 2.281 23.601 1.00 0.00 N ATOM 1041 CA LEU A 66 30.479 1.818 24.733 1.00 0.00 C ATOM 1042 C LEU A 66 31.322 0.607 24.348 1.00 0.00 C ATOM 1043 O LEU A 66 31.004 -0.106 23.396 1.00 0.00 O ATOM 1044 CB LEU A 66 29.568 1.467 25.911 1.00 0.00 C ATOM 1045 CG LEU A 66 28.774 0.166 25.780 1.00 0.00 C ATOM 1046 CD1 LEU A 66 28.086 0.096 24.425 1.00 0.00 C ATOM 1047 CD2 LEU A 66 29.683 -1.037 25.982 1.00 0.00 C ATOM 0 H LEU A 66 29.338 1.536 22.996 1.00 0.00 H new ATOM 0 HA LEU A 66 31.150 2.625 25.028 1.00 0.00 H new ATOM 0 HB2 LEU A 66 30.179 1.408 26.812 1.00 0.00 H new ATOM 0 HB3 LEU A 66 28.864 2.286 26.057 1.00 0.00 H new ATOM 0 HG LEU A 66 28.008 0.150 26.555 1.00 0.00 H new ATOM 0 HD11 LEU A 66 27.526 -0.836 24.349 1.00 0.00 H new ATOM 0 HD12 LEU A 66 27.403 0.939 24.320 1.00 0.00 H new ATOM 0 HD13 LEU A 66 28.835 0.134 23.634 1.00 0.00 H new ATOM 0 HD21 LEU A 66 29.101 -1.953 25.885 1.00 0.00 H new ATOM 0 HD22 LEU A 66 30.472 -1.027 25.230 1.00 0.00 H new ATOM 0 HD23 LEU A 66 30.129 -0.994 26.976 1.00 0.00 H new ATOM 1059 N SER A 67 32.398 0.380 25.095 1.00 0.00 N ATOM 1060 CA SER A 67 33.288 -0.744 24.831 1.00 0.00 C ATOM 1061 C SER A 67 34.308 -0.905 25.955 1.00 0.00 C ATOM 1062 O SER A 67 34.989 0.049 26.333 1.00 0.00 O ATOM 1063 CB SER A 67 34.010 -0.548 23.497 1.00 0.00 C ATOM 1064 OG SER A 67 34.657 -1.740 23.086 1.00 0.00 O ATOM 0 H SER A 67 32.674 0.960 25.888 1.00 0.00 H new ATOM 0 HA SER A 67 32.684 -1.650 24.779 1.00 0.00 H new ATOM 0 HB2 SER A 67 33.295 -0.238 22.735 1.00 0.00 H new ATOM 0 HB3 SER A 67 34.743 0.253 23.591 1.00 0.00 H new ATOM 0 HG SER A 67 35.109 -1.588 22.230 1.00 0.00 H new ATOM 1070 N LYS A 68 34.408 -2.119 26.485 1.00 0.00 N ATOM 1071 CA LYS A 68 35.344 -2.408 27.565 1.00 0.00 C ATOM 1072 C LYS A 68 35.903 -3.822 27.436 1.00 0.00 C ATOM 1073 O LYS A 68 35.170 -4.802 27.564 1.00 0.00 O ATOM 1074 CB LYS A 68 34.657 -2.242 28.922 1.00 0.00 C ATOM 1075 CG LYS A 68 35.621 -1.958 30.061 1.00 0.00 C ATOM 1076 CD LYS A 68 34.933 -2.061 31.412 1.00 0.00 C ATOM 1077 CE LYS A 68 35.870 -1.670 32.545 1.00 0.00 C ATOM 1078 NZ LYS A 68 36.013 -0.192 32.661 1.00 0.00 N ATOM 0 H LYS A 68 33.852 -2.919 26.184 1.00 0.00 H new ATOM 0 HA LYS A 68 36.171 -1.701 27.495 1.00 0.00 H new ATOM 0 HB2 LYS A 68 33.935 -1.428 28.857 1.00 0.00 H new ATOM 0 HB3 LYS A 68 34.096 -3.149 29.149 1.00 0.00 H new ATOM 0 HG2 LYS A 68 36.452 -2.662 30.020 1.00 0.00 H new ATOM 0 HG3 LYS A 68 36.043 -0.960 29.942 1.00 0.00 H new ATOM 0 HD2 LYS A 68 34.055 -1.415 31.425 1.00 0.00 H new ATOM 0 HD3 LYS A 68 34.580 -3.081 31.565 1.00 0.00 H new ATOM 0 HE2 LYS A 68 35.492 -2.073 33.484 1.00 0.00 H new ATOM 0 HE3 LYS A 68 36.850 -2.118 32.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 36.659 0.034 33.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 36.398 0.190 31.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 35.082 0.233 32.847 1.00 0.00 H new ATOM 1092 N GLN A 69 37.205 -3.918 27.184 1.00 0.00 N ATOM 1093 CA GLN A 69 37.861 -5.212 27.039 1.00 0.00 C ATOM 1094 C GLN A 69 39.301 -5.151 27.535 1.00 0.00 C ATOM 1095 O GLN A 69 40.072 -4.279 27.131 1.00 0.00 O ATOM 1096 CB GLN A 69 37.831 -5.662 25.577 1.00 0.00 C ATOM 1097 CG GLN A 69 36.547 -6.376 25.186 1.00 0.00 C ATOM 1098 CD GLN A 69 36.340 -7.667 25.954 1.00 0.00 C ATOM 1099 OE1 GLN A 69 37.008 -8.669 25.698 1.00 0.00 O ATOM 1100 NE2 GLN A 69 35.412 -7.649 26.904 1.00 0.00 N ATOM 0 H GLN A 69 37.826 -3.116 27.076 1.00 0.00 H new ATOM 0 HA GLN A 69 37.318 -5.936 27.646 1.00 0.00 H new ATOM 0 HB2 GLN A 69 37.963 -4.791 24.935 1.00 0.00 H new ATOM 0 HB3 GLN A 69 38.676 -6.325 25.392 1.00 0.00 H new ATOM 0 HG2 GLN A 69 35.699 -5.713 25.361 1.00 0.00 H new ATOM 0 HG3 GLN A 69 36.567 -6.592 24.118 1.00 0.00 H new ATOM 0 HE21 GLN A 69 34.882 -6.796 27.083 1.00 0.00 H new ATOM 0 HE22 GLN A 69 35.230 -8.488 27.455 1.00 0.00 H new ATOM 1109 N LYS A 70 39.660 -6.081 28.413 1.00 0.00 N ATOM 1110 CA LYS A 70 41.008 -6.134 28.965 1.00 0.00 C ATOM 1111 C LYS A 70 41.423 -7.574 29.249 1.00 0.00 C ATOM 1112 O LYS A 70 40.594 -8.485 29.231 1.00 0.00 O ATOM 1113 CB LYS A 70 41.089 -5.306 30.249 1.00 0.00 C ATOM 1114 CG LYS A 70 40.232 -5.850 31.379 1.00 0.00 C ATOM 1115 CD LYS A 70 40.345 -4.992 32.628 1.00 0.00 C ATOM 1116 CE LYS A 70 39.412 -3.793 32.566 1.00 0.00 C ATOM 1117 NZ LYS A 70 39.343 -3.075 33.869 1.00 0.00 N ATOM 0 H LYS A 70 39.035 -6.809 28.758 1.00 0.00 H new ATOM 0 HA LYS A 70 41.692 -5.716 28.227 1.00 0.00 H new ATOM 0 HB2 LYS A 70 42.127 -5.264 30.579 1.00 0.00 H new ATOM 0 HB3 LYS A 70 40.782 -4.283 30.032 1.00 0.00 H new ATOM 0 HG2 LYS A 70 39.191 -5.893 31.059 1.00 0.00 H new ATOM 0 HG3 LYS A 70 40.537 -6.871 31.609 1.00 0.00 H new ATOM 0 HD2 LYS A 70 40.109 -5.593 33.506 1.00 0.00 H new ATOM 0 HD3 LYS A 70 41.373 -4.649 32.743 1.00 0.00 H new ATOM 0 HE2 LYS A 70 39.754 -3.107 31.791 1.00 0.00 H new ATOM 0 HE3 LYS A 70 38.414 -4.124 32.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 38.697 -2.264 33.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 38.993 -3.722 34.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 40.291 -2.736 34.129 1.00 0.00 H new ATOM 1131 N TYR A 71 42.710 -7.773 29.513 1.00 0.00 N ATOM 1132 CA TYR A 71 43.235 -9.103 29.801 1.00 0.00 C ATOM 1133 C TYR A 71 44.582 -9.015 30.511 1.00 0.00 C ATOM 1134 O TYR A 71 45.128 -7.928 30.697 1.00 0.00 O ATOM 1135 CB TYR A 71 43.379 -9.908 28.508 1.00 0.00 C ATOM 1136 CG TYR A 71 43.899 -9.095 27.344 1.00 0.00 C ATOM 1137 CD1 TYR A 71 45.089 -8.386 27.442 1.00 0.00 C ATOM 1138 CD2 TYR A 71 43.199 -9.037 26.144 1.00 0.00 C ATOM 1139 CE1 TYR A 71 45.567 -7.642 26.381 1.00 0.00 C ATOM 1140 CE2 TYR A 71 43.670 -8.297 25.078 1.00 0.00 C ATOM 1141 CZ TYR A 71 44.855 -7.601 25.201 1.00 0.00 C ATOM 1142 OH TYR A 71 45.328 -6.862 24.141 1.00 0.00 O ATOM 0 H TYR A 71 43.409 -7.030 29.534 1.00 0.00 H new ATOM 0 HA TYR A 71 42.530 -9.609 30.460 1.00 0.00 H new ATOM 0 HB2 TYR A 71 44.053 -10.746 28.685 1.00 0.00 H new ATOM 0 HB3 TYR A 71 42.409 -10.329 28.242 1.00 0.00 H new ATOM 0 HD1 TYR A 71 45.651 -8.417 28.364 1.00 0.00 H new ATOM 0 HD2 TYR A 71 42.271 -9.580 26.044 1.00 0.00 H new ATOM 0 HE1 TYR A 71 46.494 -7.095 26.475 1.00 0.00 H new ATOM 0 HE2 TYR A 71 43.114 -8.263 24.153 1.00 0.00 H new ATOM 0 HH TYR A 71 44.709 -6.940 23.385 1.00 0.00 H new ATOM 1152 N ALA A 72 45.111 -10.168 30.906 1.00 0.00 N ATOM 1153 CA ALA A 72 46.396 -10.224 31.593 1.00 0.00 C ATOM 1154 C ALA A 72 46.969 -11.636 31.572 1.00 0.00 C ATOM 1155 O ALA A 72 46.229 -12.615 31.470 1.00 0.00 O ATOM 1156 CB ALA A 72 46.249 -9.732 33.026 1.00 0.00 C ATOM 0 H ALA A 72 44.670 -11.076 30.762 1.00 0.00 H new ATOM 0 HA ALA A 72 47.091 -9.571 31.065 1.00 0.00 H new ATOM 0 HB1 ALA A 72 47.216 -9.779 33.528 1.00 0.00 H new ATOM 0 HB2 ALA A 72 45.892 -8.702 33.022 1.00 0.00 H new ATOM 0 HB3 ALA A 72 45.534 -10.362 33.556 1.00 0.00 H new ATOM 1162 N ASP A 73 48.290 -11.735 31.670 1.00 0.00 N ATOM 1163 CA ASP A 73 48.963 -13.029 31.663 1.00 0.00 C ATOM 1164 C ASP A 73 50.356 -12.921 32.276 1.00 0.00 C ATOM 1165 O ASP A 73 50.839 -11.824 32.553 1.00 0.00 O ATOM 1166 CB ASP A 73 49.061 -13.569 30.235 1.00 0.00 C ATOM 1167 CG ASP A 73 49.457 -15.031 30.195 1.00 0.00 C ATOM 1168 OD1 ASP A 73 48.884 -15.822 30.972 1.00 0.00 O ATOM 1169 OD2 ASP A 73 50.342 -15.385 29.387 1.00 0.00 O ATOM 0 H ASP A 73 48.916 -10.935 31.755 1.00 0.00 H new ATOM 0 HA ASP A 73 48.374 -13.720 32.265 1.00 0.00 H new ATOM 0 HB2 ASP A 73 48.101 -13.442 29.735 1.00 0.00 H new ATOM 0 HB3 ASP A 73 49.791 -12.982 29.677 1.00 0.00 H new ATOM 1174 N GLY A 74 50.995 -14.067 32.487 1.00 0.00 N ATOM 1175 CA GLY A 74 52.325 -14.079 33.067 1.00 0.00 C ATOM 1176 C GLY A 74 53.151 -15.261 32.599 1.00 0.00 C ATOM 1177 O GLY A 74 52.699 -16.056 31.776 1.00 0.00 O ATOM 0 H GLY A 74 50.615 -14.988 32.267 1.00 0.00 H new ATOM 0 HA2 GLY A 74 52.840 -13.154 32.807 1.00 0.00 H new ATOM 0 HA3 GLY A 74 52.244 -14.104 34.154 1.00 0.00 H new ATOM 1181 N ALA A 75 54.367 -15.376 33.123 1.00 0.00 N ATOM 1182 CA ALA A 75 55.258 -16.468 32.754 1.00 0.00 C ATOM 1183 C ALA A 75 56.327 -16.688 33.818 1.00 0.00 C ATOM 1184 O ALA A 75 56.619 -15.795 34.613 1.00 0.00 O ATOM 1185 CB ALA A 75 55.903 -16.191 31.404 1.00 0.00 C ATOM 0 H ALA A 75 54.757 -14.725 33.805 1.00 0.00 H new ATOM 0 HA ALA A 75 54.664 -17.379 32.680 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.566 -17.015 31.142 1.00 0.00 H new ATOM 0 HB2 ALA A 75 55.128 -16.092 30.644 1.00 0.00 H new ATOM 0 HB3 ALA A 75 56.478 -15.266 31.458 1.00 0.00 H new ATOM 1191 N PHE A 76 56.909 -17.883 33.828 1.00 0.00 N ATOM 1192 CA PHE A 76 57.945 -18.221 34.797 1.00 0.00 C ATOM 1193 C PHE A 76 59.021 -19.096 34.160 1.00 0.00 C ATOM 1194 O PHE A 76 58.845 -19.608 33.055 1.00 0.00 O ATOM 1195 CB PHE A 76 57.333 -18.940 36.001 1.00 0.00 C ATOM 1196 CG PHE A 76 56.533 -20.156 35.629 1.00 0.00 C ATOM 1197 CD1 PHE A 76 57.138 -21.399 35.540 1.00 0.00 C ATOM 1198 CD2 PHE A 76 55.176 -20.055 35.369 1.00 0.00 C ATOM 1199 CE1 PHE A 76 56.404 -22.520 35.199 1.00 0.00 C ATOM 1200 CE2 PHE A 76 54.437 -21.172 35.028 1.00 0.00 C ATOM 1201 CZ PHE A 76 55.052 -22.405 34.942 1.00 0.00 C ATOM 0 H PHE A 76 56.681 -18.633 33.176 1.00 0.00 H new ATOM 0 HA PHE A 76 58.408 -17.294 35.134 1.00 0.00 H new ATOM 0 HB2 PHE A 76 58.131 -19.234 36.683 1.00 0.00 H new ATOM 0 HB3 PHE A 76 56.692 -18.244 36.542 1.00 0.00 H new ATOM 0 HD1 PHE A 76 58.195 -21.494 35.739 1.00 0.00 H new ATOM 0 HD2 PHE A 76 54.690 -19.093 35.434 1.00 0.00 H new ATOM 0 HE1 PHE A 76 56.887 -23.484 35.134 1.00 0.00 H new ATOM 0 HE2 PHE A 76 53.379 -21.080 34.829 1.00 0.00 H new ATOM 0 HZ PHE A 76 54.476 -23.279 34.674 1.00 0.00 H new ATOM 1211 N ALA A 77 60.135 -19.262 34.865 1.00 0.00 N ATOM 1212 CA ALA A 77 61.238 -20.076 34.371 1.00 0.00 C ATOM 1213 C ALA A 77 61.816 -20.949 35.479 1.00 0.00 C ATOM 1214 O ALA A 77 61.733 -20.607 36.659 1.00 0.00 O ATOM 1215 CB ALA A 77 62.322 -19.190 33.775 1.00 0.00 C ATOM 0 H ALA A 77 60.297 -18.843 35.781 1.00 0.00 H new ATOM 0 HA ALA A 77 60.851 -20.733 33.592 1.00 0.00 H new ATOM 0 HB1 ALA A 77 63.140 -19.811 33.410 1.00 0.00 H new ATOM 0 HB2 ALA A 77 61.907 -18.614 32.948 1.00 0.00 H new ATOM 0 HB3 ALA A 77 62.697 -18.509 34.539 1.00 0.00 H new ATOM 1221 N ASP A 78 62.401 -22.078 35.092 1.00 0.00 N ATOM 1222 CA ASP A 78 62.993 -23.000 36.054 1.00 0.00 C ATOM 1223 C ASP A 78 64.460 -23.260 35.725 1.00 0.00 C ATOM 1224 O ASP A 78 64.929 -22.935 34.634 1.00 0.00 O ATOM 1225 CB ASP A 78 62.220 -24.320 36.070 1.00 0.00 C ATOM 1226 CG ASP A 78 60.821 -24.164 36.635 1.00 0.00 C ATOM 1227 OD1 ASP A 78 60.613 -23.252 37.462 1.00 0.00 O ATOM 1228 OD2 ASP A 78 59.935 -24.954 36.248 1.00 0.00 O ATOM 0 H ASP A 78 62.478 -22.376 34.120 1.00 0.00 H new ATOM 0 HA ASP A 78 62.936 -22.542 37.042 1.00 0.00 H new ATOM 0 HB2 ASP A 78 62.157 -24.714 35.055 1.00 0.00 H new ATOM 0 HB3 ASP A 78 62.769 -25.052 36.663 1.00 0.00 H new ATOM 1233 N PHE A 79 65.179 -23.848 36.675 1.00 0.00 N ATOM 1234 CA PHE A 79 66.594 -24.150 36.488 1.00 0.00 C ATOM 1235 C PHE A 79 66.967 -25.457 37.180 1.00 0.00 C ATOM 1236 O PHE A 79 66.215 -25.972 38.008 1.00 0.00 O ATOM 1237 CB PHE A 79 67.457 -23.008 37.028 1.00 0.00 C ATOM 1238 CG PHE A 79 67.159 -22.656 38.458 1.00 0.00 C ATOM 1239 CD1 PHE A 79 65.973 -22.026 38.797 1.00 0.00 C ATOM 1240 CD2 PHE A 79 68.065 -22.956 39.462 1.00 0.00 C ATOM 1241 CE1 PHE A 79 65.697 -21.700 40.112 1.00 0.00 C ATOM 1242 CE2 PHE A 79 67.794 -22.633 40.778 1.00 0.00 C ATOM 1243 CZ PHE A 79 66.608 -22.006 41.104 1.00 0.00 C ATOM 0 H PHE A 79 64.805 -24.125 37.583 1.00 0.00 H new ATOM 0 HA PHE A 79 66.778 -24.260 35.419 1.00 0.00 H new ATOM 0 HB2 PHE A 79 68.508 -23.285 36.942 1.00 0.00 H new ATOM 0 HB3 PHE A 79 67.308 -22.125 36.406 1.00 0.00 H new ATOM 0 HD1 PHE A 79 65.256 -21.787 38.026 1.00 0.00 H new ATOM 0 HD2 PHE A 79 68.994 -23.448 39.213 1.00 0.00 H new ATOM 0 HE1 PHE A 79 64.770 -21.206 40.363 1.00 0.00 H new ATOM 0 HE2 PHE A 79 68.510 -22.871 41.551 1.00 0.00 H new ATOM 0 HZ PHE A 79 66.393 -21.755 42.132 1.00 0.00 H new ATOM 1253 N LYS A 80 68.135 -25.989 36.836 1.00 0.00 N ATOM 1254 CA LYS A 80 68.611 -27.236 37.423 1.00 0.00 C ATOM 1255 C LYS A 80 69.306 -26.978 38.757 1.00 0.00 C ATOM 1256 O LYS A 80 69.480 -25.830 39.164 1.00 0.00 O ATOM 1257 CB LYS A 80 69.572 -27.941 36.464 1.00 0.00 C ATOM 1258 CG LYS A 80 68.876 -28.845 35.461 1.00 0.00 C ATOM 1259 CD LYS A 80 68.338 -30.102 36.123 1.00 0.00 C ATOM 1260 CE LYS A 80 69.460 -31.057 36.501 1.00 0.00 C ATOM 1261 NZ LYS A 80 68.936 -32.341 37.043 1.00 0.00 N ATOM 0 H LYS A 80 68.770 -25.576 36.153 1.00 0.00 H new ATOM 0 HA LYS A 80 67.748 -27.878 37.600 1.00 0.00 H new ATOM 0 HB2 LYS A 80 70.149 -27.190 35.924 1.00 0.00 H new ATOM 0 HB3 LYS A 80 70.281 -28.533 37.043 1.00 0.00 H new ATOM 0 HG2 LYS A 80 68.057 -28.303 34.988 1.00 0.00 H new ATOM 0 HG3 LYS A 80 69.575 -29.119 34.671 1.00 0.00 H new ATOM 0 HD2 LYS A 80 67.773 -29.831 37.015 1.00 0.00 H new ATOM 0 HD3 LYS A 80 67.645 -30.603 35.447 1.00 0.00 H new ATOM 0 HE2 LYS A 80 70.077 -31.257 35.625 1.00 0.00 H new ATOM 0 HE3 LYS A 80 70.104 -30.585 37.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 69.731 -32.964 37.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 68.368 -32.153 37.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 68.342 -32.804 36.326 1.00 0.00 H new ATOM 1275 N GLN A 81 69.701 -28.053 39.431 1.00 0.00 N ATOM 1276 CA GLN A 81 70.377 -27.942 40.718 1.00 0.00 C ATOM 1277 C GLN A 81 71.496 -28.971 40.835 1.00 0.00 C ATOM 1278 O GLN A 81 71.669 -29.816 39.958 1.00 0.00 O ATOM 1279 CB GLN A 81 69.377 -28.125 41.861 1.00 0.00 C ATOM 1280 CG GLN A 81 69.897 -27.647 43.207 1.00 0.00 C ATOM 1281 CD GLN A 81 68.782 -27.301 44.174 1.00 0.00 C ATOM 1282 OE1 GLN A 81 68.152 -28.185 44.755 1.00 0.00 O ATOM 1283 NE2 GLN A 81 68.532 -26.009 44.352 1.00 0.00 N ATOM 0 H GLN A 81 69.565 -29.011 39.107 1.00 0.00 H new ATOM 0 HA GLN A 81 70.816 -26.946 40.785 1.00 0.00 H new ATOM 0 HB2 GLN A 81 68.461 -27.584 41.622 1.00 0.00 H new ATOM 0 HB3 GLN A 81 69.113 -29.180 41.937 1.00 0.00 H new ATOM 0 HG2 GLN A 81 70.525 -28.422 43.645 1.00 0.00 H new ATOM 0 HG3 GLN A 81 70.528 -26.771 43.058 1.00 0.00 H new ATOM 0 HE21 GLN A 81 69.079 -25.310 43.850 1.00 0.00 H new ATOM 0 HE22 GLN A 81 67.793 -25.716 44.991 1.00 0.00 H new ATOM 1292 N GLU A 82 72.253 -28.893 41.926 1.00 0.00 N ATOM 1293 CA GLU A 82 73.357 -29.818 42.156 1.00 0.00 C ATOM 1294 C GLU A 82 73.347 -30.329 43.594 1.00 0.00 C ATOM 1295 O GLU A 82 72.957 -29.612 44.516 1.00 0.00 O ATOM 1296 CB GLU A 82 74.693 -29.138 41.854 1.00 0.00 C ATOM 1297 CG GLU A 82 75.895 -30.050 42.036 1.00 0.00 C ATOM 1298 CD GLU A 82 77.212 -29.325 41.840 1.00 0.00 C ATOM 1299 OE1 GLU A 82 77.453 -28.823 40.722 1.00 0.00 O ATOM 1300 OE2 GLU A 82 78.002 -29.260 42.805 1.00 0.00 O ATOM 0 H GLU A 82 72.122 -28.200 42.663 1.00 0.00 H new ATOM 0 HA GLU A 82 73.231 -30.668 41.485 1.00 0.00 H new ATOM 0 HB2 GLU A 82 74.680 -28.769 40.828 1.00 0.00 H new ATOM 0 HB3 GLU A 82 74.804 -28.270 42.504 1.00 0.00 H new ATOM 0 HG2 GLU A 82 75.869 -30.484 43.035 1.00 0.00 H new ATOM 0 HG3 GLU A 82 75.830 -30.876 41.328 1.00 0.00 H new ATOM 1307 N SER A 83 73.777 -31.573 43.777 1.00 0.00 N ATOM 1308 CA SER A 83 73.814 -32.182 45.102 1.00 0.00 C ATOM 1309 C SER A 83 75.185 -32.791 45.381 1.00 0.00 C ATOM 1310 O SER A 83 75.867 -32.404 46.329 1.00 0.00 O ATOM 1311 CB SER A 83 72.731 -33.256 45.223 1.00 0.00 C ATOM 1312 OG SER A 83 71.440 -32.699 45.052 1.00 0.00 O ATOM 0 H SER A 83 74.105 -32.179 43.025 1.00 0.00 H new ATOM 0 HA SER A 83 73.625 -31.402 45.840 1.00 0.00 H new ATOM 0 HB2 SER A 83 72.898 -34.031 44.475 1.00 0.00 H new ATOM 0 HB3 SER A 83 72.797 -33.735 46.200 1.00 0.00 H new ATOM 0 HG SER A 83 70.766 -33.406 45.132 1.00 0.00 H new ATOM 1318 N GLY A 84 75.581 -33.749 44.548 1.00 0.00 N ATOM 1319 CA GLY A 84 76.867 -34.398 44.721 1.00 0.00 C ATOM 1320 C GLY A 84 76.773 -35.656 45.562 1.00 0.00 C ATOM 1321 O GLY A 84 76.304 -35.635 46.699 1.00 0.00 O ATOM 0 H GLY A 84 75.034 -34.087 43.756 1.00 0.00 H new ATOM 0 HA2 GLY A 84 77.279 -34.648 43.743 1.00 0.00 H new ATOM 0 HA3 GLY A 84 77.562 -33.702 45.191 1.00 0.00 H new ATOM 1325 N PRO A 85 77.227 -36.785 44.997 1.00 0.00 N ATOM 1326 CA PRO A 85 77.202 -38.079 45.684 1.00 0.00 C ATOM 1327 C PRO A 85 78.196 -38.142 46.839 1.00 0.00 C ATOM 1328 O PRO A 85 78.921 -37.182 47.099 1.00 0.00 O ATOM 1329 CB PRO A 85 77.595 -39.071 44.586 1.00 0.00 C ATOM 1330 CG PRO A 85 78.390 -38.267 43.616 1.00 0.00 C ATOM 1331 CD PRO A 85 77.801 -36.884 43.644 1.00 0.00 C ATOM 0 HA PRO A 85 76.230 -38.283 46.134 1.00 0.00 H new ATOM 0 HB2 PRO A 85 78.181 -39.897 44.990 1.00 0.00 H new ATOM 0 HB3 PRO A 85 76.715 -39.506 44.112 1.00 0.00 H new ATOM 0 HG2 PRO A 85 79.443 -38.248 43.895 1.00 0.00 H new ATOM 0 HG3 PRO A 85 78.333 -38.695 42.615 1.00 0.00 H new ATOM 0 HD2 PRO A 85 78.560 -36.121 43.473 1.00 0.00 H new ATOM 0 HD3 PRO A 85 77.040 -36.756 42.874 1.00 0.00 H new ATOM 1339 N SER A 86 78.223 -39.278 47.529 1.00 0.00 N ATOM 1340 CA SER A 86 79.126 -39.464 48.659 1.00 0.00 C ATOM 1341 C SER A 86 79.178 -40.931 49.076 1.00 0.00 C ATOM 1342 O SER A 86 78.341 -41.734 48.666 1.00 0.00 O ATOM 1343 CB SER A 86 78.682 -38.601 49.841 1.00 0.00 C ATOM 1344 OG SER A 86 79.230 -37.297 49.756 1.00 0.00 O ATOM 0 H SER A 86 77.630 -40.083 47.325 1.00 0.00 H new ATOM 0 HA SER A 86 80.125 -39.156 48.349 1.00 0.00 H new ATOM 0 HB2 SER A 86 77.594 -38.541 49.862 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.994 -39.070 50.774 1.00 0.00 H new ATOM 0 HG SER A 86 79.350 -37.053 48.814 1.00 0.00 H new ATOM 1350 N SER A 87 80.169 -41.271 49.895 1.00 0.00 N ATOM 1351 CA SER A 87 80.334 -42.641 50.366 1.00 0.00 C ATOM 1352 C SER A 87 80.106 -42.729 51.872 1.00 0.00 C ATOM 1353 O SER A 87 80.354 -41.774 52.606 1.00 0.00 O ATOM 1354 CB SER A 87 81.732 -43.157 50.020 1.00 0.00 C ATOM 1355 OG SER A 87 81.923 -43.210 48.617 1.00 0.00 O ATOM 0 H SER A 87 80.869 -40.617 50.246 1.00 0.00 H new ATOM 0 HA SER A 87 79.591 -43.262 49.866 1.00 0.00 H new ATOM 0 HB2 SER A 87 82.484 -42.508 50.468 1.00 0.00 H new ATOM 0 HB3 SER A 87 81.873 -44.150 50.447 1.00 0.00 H new ATOM 0 HG SER A 87 82.824 -43.541 48.422 1.00 0.00 H new ATOM 1361 N GLY A 88 79.630 -43.885 52.326 1.00 0.00 N ATOM 1362 CA GLY A 88 79.375 -44.078 53.741 1.00 0.00 C ATOM 1363 C GLY A 88 77.981 -44.608 54.012 1.00 0.00 C ATOM 1364 O GLY A 88 77.009 -43.950 53.646 1.00 0.00 O ATOM 0 H GLY A 88 79.417 -44.691 51.738 1.00 0.00 H new ATOM 0 HA2 GLY A 88 80.110 -44.773 54.148 1.00 0.00 H new ATOM 0 HA3 GLY A 88 79.508 -43.131 54.264 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.961 -4.908 3.794 1.00 0.00 ZN