USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -50:sc= 0.555 USER MOD Set 1.2: A 57 SER OG : rot -86:sc= 0.851 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc=0.000129 USER MOD Set 2.2: A 33 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.1) USER MOD Set 3.1: A 7 THR OG1 : rot 134:sc= 1.35 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.014) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.22 (180deg=0.758) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00301) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0539 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.179 USER MOD Single : A 25 ASN : amide:sc= -0.511 K(o=-0.51,f=-0.0044) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= 0.858 (180deg=-0.984!) USER MOD Single : A 29 LYS NZ :NH3+ 133:sc= 1.23 (180deg=0.385) USER MOD Single : A 31 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.35) USER MOD Single : A 40 GLN : amide:sc= 1.04 K(o=1,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= 1.46 K(o=1.5,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.86 K(o=0.86,f=-5.4!) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.573 USER MOD Single : A 60 ASN : amide:sc= -0.0645 X(o=-0.065,f=-0.065) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.00092) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.549 51.568 19.542 1.00 0.00 N ATOM 2 CA MET A 1 32.946 52.065 20.869 1.00 0.00 C ATOM 3 C MET A 1 34.366 52.630 20.826 1.00 0.00 C ATOM 4 O MET A 1 35.029 52.547 19.794 1.00 0.00 O ATOM 5 CB MET A 1 32.785 51.001 21.950 1.00 0.00 C ATOM 6 CG MET A 1 33.687 49.779 21.804 1.00 0.00 C ATOM 7 SD MET A 1 33.689 48.680 23.242 1.00 0.00 S ATOM 8 CE MET A 1 34.893 47.448 22.687 1.00 0.00 C ATOM 0 H1 MET A 1 31.746 50.914 19.642 1.00 0.00 H new ATOM 0 H2 MET A 1 32.270 52.369 18.940 1.00 0.00 H new ATOM 0 H3 MET A 1 33.350 51.069 19.104 1.00 0.00 H new ATOM 0 HA MET A 1 32.271 52.877 21.139 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.978 51.460 22.920 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.747 50.667 21.956 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.372 49.212 20.928 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.707 50.115 21.616 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.992 46.669 23.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.554 47.004 21.751 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.859 47.928 22.532 1.00 0.00 H new ATOM 20 N GLN A 2 34.853 53.162 21.943 1.00 0.00 N ATOM 21 CA GLN A 2 36.253 53.468 22.160 1.00 0.00 C ATOM 22 C GLN A 2 36.758 52.845 23.463 1.00 0.00 C ATOM 23 O GLN A 2 36.011 52.734 24.432 1.00 0.00 O ATOM 24 CB GLN A 2 36.466 54.977 22.087 1.00 0.00 C ATOM 25 CG GLN A 2 37.921 55.350 21.822 1.00 0.00 C ATOM 26 CD GLN A 2 38.090 56.867 21.718 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.076 57.456 20.640 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.222 57.564 22.844 1.00 0.00 N ATOM 0 H GLN A 2 34.263 53.397 22.742 1.00 0.00 H new ATOM 0 HA GLN A 2 36.853 53.019 21.369 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.839 55.391 21.298 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.142 55.432 23.023 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.550 54.965 22.624 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.258 54.879 20.899 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.235 57.083 23.743 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.311 58.580 22.808 1.00 0.00 H new ATOM 37 N ILE A 3 38.023 52.433 23.475 1.00 0.00 N ATOM 38 CA ILE A 3 38.738 51.889 24.611 1.00 0.00 C ATOM 39 C ILE A 3 40.153 52.467 24.682 1.00 0.00 C ATOM 40 O ILE A 3 40.602 53.142 23.758 1.00 0.00 O ATOM 41 CB ILE A 3 38.745 50.364 24.577 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.349 49.808 23.290 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.347 49.812 24.845 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.540 48.294 23.292 1.00 0.00 C ATOM 0 H ILE A 3 38.605 52.475 22.639 1.00 0.00 H new ATOM 0 HA ILE A 3 38.216 52.184 25.521 1.00 0.00 H new ATOM 0 HB ILE A 3 39.398 50.023 25.380 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.706 50.081 22.453 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.314 50.285 23.119 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.374 48.723 24.816 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.008 50.141 25.827 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.659 50.178 24.083 1.00 0.00 H new ATOM 0 HD11 ILE A 3 39.973 47.981 22.342 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.208 48.013 24.106 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.575 47.806 23.429 1.00 0.00 H new ATOM 56 N PHE A 4 40.881 52.188 25.759 1.00 0.00 N ATOM 57 CA PHE A 4 42.252 52.608 25.963 1.00 0.00 C ATOM 58 C PHE A 4 43.226 51.428 25.990 1.00 0.00 C ATOM 59 O PHE A 4 42.846 50.307 26.321 1.00 0.00 O ATOM 60 CB PHE A 4 42.367 53.416 27.252 1.00 0.00 C ATOM 61 CG PHE A 4 41.444 54.605 27.365 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.727 55.785 26.665 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.321 54.546 28.199 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.906 56.907 26.817 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.499 55.669 28.357 1.00 0.00 C ATOM 66 CZ PHE A 4 39.795 56.851 27.667 1.00 0.00 C ATOM 0 H PHE A 4 40.513 51.643 26.539 1.00 0.00 H new ATOM 0 HA PHE A 4 42.528 53.233 25.114 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.177 52.751 28.094 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.395 53.767 27.349 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.582 55.828 26.006 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.088 53.631 28.723 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.129 57.816 26.279 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.639 55.623 29.009 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.166 57.720 27.791 1.00 0.00 H new ATOM 76 N VAL A 5 44.502 51.680 25.710 1.00 0.00 N ATOM 77 CA VAL A 5 45.587 50.731 25.859 1.00 0.00 C ATOM 78 C VAL A 5 46.773 51.411 26.545 1.00 0.00 C ATOM 79 O VAL A 5 47.172 52.491 26.115 1.00 0.00 O ATOM 80 CB VAL A 5 46.012 50.130 24.522 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.982 48.970 24.729 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.848 49.606 23.688 1.00 0.00 C ATOM 0 H VAL A 5 44.814 52.586 25.361 1.00 0.00 H new ATOM 0 HA VAL A 5 45.231 49.907 26.478 1.00 0.00 H new ATOM 0 HB VAL A 5 46.483 50.953 23.984 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.270 48.559 23.761 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.870 49.327 25.250 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.500 48.194 25.324 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.227 49.194 22.753 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.325 48.827 24.242 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.159 50.422 23.472 1.00 0.00 H new ATOM 92 N LYS A 6 47.330 50.807 27.592 1.00 0.00 N ATOM 93 CA LYS A 6 48.388 51.349 28.420 1.00 0.00 C ATOM 94 C LYS A 6 49.661 50.501 28.374 1.00 0.00 C ATOM 95 O LYS A 6 49.609 49.303 28.643 1.00 0.00 O ATOM 96 CB LYS A 6 47.863 51.490 29.846 1.00 0.00 C ATOM 97 CG LYS A 6 48.871 52.146 30.786 1.00 0.00 C ATOM 98 CD LYS A 6 48.376 52.277 32.224 1.00 0.00 C ATOM 99 CE LYS A 6 48.195 50.919 32.896 1.00 0.00 C ATOM 100 NZ LYS A 6 47.882 51.070 34.326 1.00 0.00 N ATOM 0 H LYS A 6 47.036 49.879 27.896 1.00 0.00 H new ATOM 0 HA LYS A 6 48.672 52.327 28.031 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.947 52.080 29.834 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.602 50.504 30.231 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.792 51.563 30.780 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.118 53.137 30.405 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.085 52.873 32.798 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.428 52.814 32.233 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.394 50.370 32.402 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.104 50.329 32.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.764 50.131 34.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.659 51.573 34.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.001 51.613 34.433 1.00 0.00 H new ATOM 114 N THR A 7 50.804 51.115 28.083 1.00 0.00 N ATOM 115 CA THR A 7 52.097 50.466 28.005 1.00 0.00 C ATOM 116 C THR A 7 52.877 50.490 29.322 1.00 0.00 C ATOM 117 O THR A 7 52.681 51.374 30.153 1.00 0.00 O ATOM 118 CB THR A 7 52.977 51.068 26.914 1.00 0.00 C ATOM 119 OG1 THR A 7 53.398 52.374 27.240 1.00 0.00 O ATOM 120 CG2 THR A 7 52.308 51.132 25.543 1.00 0.00 C ATOM 0 H THR A 7 50.851 52.115 27.889 1.00 0.00 H new ATOM 0 HA THR A 7 51.863 49.429 27.765 1.00 0.00 H new ATOM 0 HB THR A 7 53.827 50.388 26.857 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.358 52.461 27.066 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.997 51.572 24.822 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.040 50.126 25.222 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.408 51.744 25.605 1.00 0.00 H new ATOM 128 N LEU A 8 53.838 49.585 29.486 1.00 0.00 N ATOM 129 CA LEU A 8 54.827 49.676 30.541 1.00 0.00 C ATOM 130 C LEU A 8 55.817 50.823 30.323 1.00 0.00 C ATOM 131 O LEU A 8 56.470 51.244 31.275 1.00 0.00 O ATOM 132 CB LEU A 8 55.577 48.359 30.715 1.00 0.00 C ATOM 133 CG LEU A 8 54.729 47.151 31.106 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.638 45.947 31.335 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.939 47.369 32.394 1.00 0.00 C ATOM 0 H LEU A 8 53.948 48.768 28.886 1.00 0.00 H new ATOM 0 HA LEU A 8 54.275 49.890 31.456 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.090 48.130 29.781 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.346 48.499 31.475 1.00 0.00 H new ATOM 0 HG LEU A 8 54.027 46.990 30.288 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.034 45.083 31.614 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.186 45.726 30.419 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.343 46.171 32.135 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.356 46.476 32.619 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.628 47.569 33.214 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.267 48.218 32.270 1.00 0.00 H new ATOM 147 N THR A 9 55.899 51.379 29.117 1.00 0.00 N ATOM 148 CA THR A 9 56.639 52.570 28.757 1.00 0.00 C ATOM 149 C THR A 9 55.891 53.874 29.042 1.00 0.00 C ATOM 150 O THR A 9 56.200 54.916 28.468 1.00 0.00 O ATOM 151 CB THR A 9 57.128 52.492 27.314 1.00 0.00 C ATOM 152 OG1 THR A 9 56.030 52.289 26.453 1.00 0.00 O ATOM 153 CG2 THR A 9 58.105 51.339 27.103 1.00 0.00 C ATOM 0 H THR A 9 55.414 50.976 28.315 1.00 0.00 H new ATOM 0 HA THR A 9 57.510 52.598 29.412 1.00 0.00 H new ATOM 0 HB THR A 9 57.636 53.431 27.096 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.345 52.241 25.526 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.427 51.321 26.062 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.972 51.474 27.749 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.614 50.397 27.347 1.00 0.00 H new ATOM 161 N GLY A 10 54.913 53.851 29.942 1.00 0.00 N ATOM 162 CA GLY A 10 54.312 55.033 30.528 1.00 0.00 C ATOM 163 C GLY A 10 53.337 55.815 29.646 1.00 0.00 C ATOM 164 O GLY A 10 53.038 56.960 29.977 1.00 0.00 O ATOM 0 H GLY A 10 54.509 52.982 30.290 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.786 54.734 31.435 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.113 55.707 30.832 1.00 0.00 H new ATOM 168 N LYS A 11 52.869 55.234 28.545 1.00 0.00 N ATOM 169 CA LYS A 11 51.982 55.841 27.574 1.00 0.00 C ATOM 170 C LYS A 11 50.591 55.203 27.602 1.00 0.00 C ATOM 171 O LYS A 11 50.478 53.992 27.778 1.00 0.00 O ATOM 172 CB LYS A 11 52.630 55.748 26.196 1.00 0.00 C ATOM 173 CG LYS A 11 51.820 56.407 25.082 1.00 0.00 C ATOM 174 CD LYS A 11 52.483 56.355 23.708 1.00 0.00 C ATOM 175 CE LYS A 11 53.850 57.027 23.636 1.00 0.00 C ATOM 176 NZ LYS A 11 53.801 58.456 23.983 1.00 0.00 N ATOM 0 H LYS A 11 53.115 54.275 28.299 1.00 0.00 H new ATOM 0 HA LYS A 11 51.832 56.891 27.825 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.616 56.212 26.237 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.782 54.698 25.948 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.846 55.922 25.021 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.641 57.449 25.347 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.590 55.312 23.410 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.822 56.828 22.982 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.537 56.517 24.312 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.252 56.916 22.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.753 58.866 23.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.155 58.949 23.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.460 58.565 24.960 1.00 0.00 H new ATOM 190 N THR A 12 49.554 55.996 27.347 1.00 0.00 N ATOM 191 CA THR A 12 48.224 55.510 27.033 1.00 0.00 C ATOM 192 C THR A 12 47.821 55.961 25.629 1.00 0.00 C ATOM 193 O THR A 12 48.119 57.091 25.249 1.00 0.00 O ATOM 194 CB THR A 12 47.175 55.968 28.044 1.00 0.00 C ATOM 195 OG1 THR A 12 47.634 55.817 29.368 1.00 0.00 O ATOM 196 CG2 THR A 12 45.875 55.174 27.960 1.00 0.00 C ATOM 0 H THR A 12 49.621 57.014 27.354 1.00 0.00 H new ATOM 0 HA THR A 12 48.263 54.422 27.080 1.00 0.00 H new ATOM 0 HB THR A 12 46.994 57.013 27.793 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.941 56.120 29.991 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.171 55.548 28.704 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.444 55.285 26.965 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.079 54.120 28.151 1.00 0.00 H new ATOM 204 N ILE A 13 47.124 55.118 24.872 1.00 0.00 N ATOM 205 CA ILE A 13 46.539 55.441 23.586 1.00 0.00 C ATOM 206 C ILE A 13 45.053 55.077 23.543 1.00 0.00 C ATOM 207 O ILE A 13 44.606 54.235 24.317 1.00 0.00 O ATOM 208 CB ILE A 13 47.343 54.855 22.429 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.462 53.334 22.369 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.748 55.451 22.431 1.00 0.00 C ATOM 211 CD1 ILE A 13 46.267 52.630 21.732 1.00 0.00 C ATOM 0 H ILE A 13 46.948 54.154 25.154 1.00 0.00 H new ATOM 0 HA ILE A 13 46.591 56.522 23.457 1.00 0.00 H new ATOM 0 HB ILE A 13 46.765 55.127 21.546 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.361 53.074 21.810 1.00 0.00 H new ATOM 0 HG13 ILE A 13 47.595 52.952 23.381 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.322 55.032 21.604 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.684 56.533 22.317 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.242 55.214 23.373 1.00 0.00 H new ATOM 0 HD11 ILE A 13 46.437 51.553 21.731 1.00 0.00 H new ATOM 0 HD12 ILE A 13 45.366 52.855 22.302 1.00 0.00 H new ATOM 0 HD13 ILE A 13 46.144 52.978 20.707 1.00 0.00 H new ATOM 223 N THR A 14 44.284 55.701 22.655 1.00 0.00 N ATOM 224 CA THR A 14 42.915 55.325 22.364 1.00 0.00 C ATOM 225 C THR A 14 42.821 54.346 21.192 1.00 0.00 C ATOM 226 O THR A 14 43.639 54.404 20.276 1.00 0.00 O ATOM 227 CB THR A 14 42.021 56.525 22.066 1.00 0.00 C ATOM 228 OG1 THR A 14 42.614 57.435 21.167 1.00 0.00 O ATOM 229 CG2 THR A 14 41.656 57.289 23.335 1.00 0.00 C ATOM 0 H THR A 14 44.608 56.499 22.109 1.00 0.00 H new ATOM 0 HA THR A 14 42.560 54.840 23.273 1.00 0.00 H new ATOM 0 HB THR A 14 41.124 56.105 21.611 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.002 58.183 21.008 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.019 58.136 23.079 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.123 56.627 24.018 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.565 57.651 23.816 1.00 0.00 H new ATOM 237 N LEU A 15 41.805 53.487 21.196 1.00 0.00 N ATOM 238 CA LEU A 15 41.494 52.586 20.104 1.00 0.00 C ATOM 239 C LEU A 15 39.989 52.550 19.829 1.00 0.00 C ATOM 240 O LEU A 15 39.201 52.391 20.759 1.00 0.00 O ATOM 241 CB LEU A 15 42.034 51.200 20.443 1.00 0.00 C ATOM 242 CG LEU A 15 42.685 50.499 19.254 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.045 51.103 18.917 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.914 49.031 19.600 1.00 0.00 C ATOM 0 H LEU A 15 41.162 53.401 21.983 1.00 0.00 H new ATOM 0 HA LEU A 15 41.970 52.942 19.191 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.764 51.289 21.248 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.219 50.582 20.819 1.00 0.00 H new ATOM 0 HG LEU A 15 42.017 50.615 18.401 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.476 50.577 18.065 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.923 52.157 18.668 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.709 51.007 19.776 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.379 48.526 18.753 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.568 48.960 20.469 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.959 48.557 19.825 1.00 0.00 H new ATOM 256 N GLU A 16 39.587 52.650 18.565 1.00 0.00 N ATOM 257 CA GLU A 16 38.208 52.556 18.129 1.00 0.00 C ATOM 258 C GLU A 16 37.915 51.208 17.468 1.00 0.00 C ATOM 259 O GLU A 16 38.506 50.855 16.450 1.00 0.00 O ATOM 260 CB GLU A 16 37.842 53.706 17.195 1.00 0.00 C ATOM 261 CG GLU A 16 37.713 55.041 17.923 1.00 0.00 C ATOM 262 CD GLU A 16 37.074 56.083 17.002 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.786 56.970 16.484 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.844 56.011 16.790 1.00 0.00 O ATOM 0 H GLU A 16 40.238 52.804 17.795 1.00 0.00 H new ATOM 0 HA GLU A 16 37.585 52.631 19.020 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.602 53.793 16.418 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.900 53.477 16.696 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.107 54.917 18.821 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.696 55.384 18.246 1.00 0.00 H new ATOM 271 N VAL A 17 36.993 50.460 18.068 1.00 0.00 N ATOM 272 CA VAL A 17 36.610 49.099 17.751 1.00 0.00 C ATOM 273 C VAL A 17 35.167 48.850 18.195 1.00 0.00 C ATOM 274 O VAL A 17 34.600 49.681 18.900 1.00 0.00 O ATOM 275 CB VAL A 17 37.535 48.087 18.421 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.908 48.000 17.760 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.746 48.343 19.910 1.00 0.00 C ATOM 0 H VAL A 17 36.454 50.826 18.852 1.00 0.00 H new ATOM 0 HA VAL A 17 36.693 48.970 16.672 1.00 0.00 H new ATOM 0 HB VAL A 17 37.008 47.142 18.294 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.518 47.263 18.283 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.792 47.701 16.718 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.396 48.973 17.806 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.414 47.585 20.318 1.00 0.00 H new ATOM 0 HG22 VAL A 17 38.188 49.329 20.051 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.787 48.298 20.426 1.00 0.00 H new ATOM 287 N GLU A 18 34.571 47.717 17.833 1.00 0.00 N ATOM 288 CA GLU A 18 33.309 47.254 18.371 1.00 0.00 C ATOM 289 C GLU A 18 33.454 45.946 19.153 1.00 0.00 C ATOM 290 O GLU A 18 34.402 45.210 18.889 1.00 0.00 O ATOM 291 CB GLU A 18 32.268 47.123 17.263 1.00 0.00 C ATOM 292 CG GLU A 18 31.993 48.402 16.477 1.00 0.00 C ATOM 293 CD GLU A 18 31.600 49.605 17.337 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.161 49.445 18.496 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.765 50.753 16.871 1.00 0.00 O ATOM 0 H GLU A 18 34.968 47.084 17.139 1.00 0.00 H new ATOM 0 HA GLU A 18 32.965 48.005 19.082 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.596 46.351 16.567 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.333 46.778 17.704 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.883 48.658 15.902 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.195 48.208 15.760 1.00 0.00 H new ATOM 302 N PRO A 19 32.567 45.594 20.079 1.00 0.00 N ATOM 303 CA PRO A 19 32.663 44.366 20.843 1.00 0.00 C ATOM 304 C PRO A 19 32.716 43.073 20.026 1.00 0.00 C ATOM 305 O PRO A 19 33.142 42.033 20.522 1.00 0.00 O ATOM 306 CB PRO A 19 31.452 44.349 21.771 1.00 0.00 C ATOM 307 CG PRO A 19 31.124 45.829 21.948 1.00 0.00 C ATOM 308 CD PRO A 19 31.466 46.396 20.573 1.00 0.00 C ATOM 0 HA PRO A 19 33.619 44.376 21.367 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.617 43.802 21.333 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.682 43.871 22.723 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.077 45.987 22.206 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.719 46.287 22.738 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.609 46.339 19.902 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.748 47.447 20.642 1.00 0.00 H new ATOM 316 N SER A 20 32.289 43.125 18.767 1.00 0.00 N ATOM 317 CA SER A 20 32.348 42.054 17.793 1.00 0.00 C ATOM 318 C SER A 20 33.671 41.948 17.033 1.00 0.00 C ATOM 319 O SER A 20 33.843 41.002 16.268 1.00 0.00 O ATOM 320 CB SER A 20 31.176 42.224 16.830 1.00 0.00 C ATOM 321 OG SER A 20 31.104 43.547 16.350 1.00 0.00 O ATOM 0 H SER A 20 31.868 43.971 18.382 1.00 0.00 H new ATOM 0 HA SER A 20 32.280 41.114 18.341 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.286 41.535 15.993 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.245 41.966 17.335 1.00 0.00 H new ATOM 0 HG SER A 20 30.347 43.631 15.734 1.00 0.00 H new ATOM 327 N ASP A 21 34.603 42.883 17.196 1.00 0.00 N ATOM 328 CA ASP A 21 35.884 42.864 16.520 1.00 0.00 C ATOM 329 C ASP A 21 36.913 41.944 17.181 1.00 0.00 C ATOM 330 O ASP A 21 36.876 41.710 18.386 1.00 0.00 O ATOM 331 CB ASP A 21 36.455 44.266 16.330 1.00 0.00 C ATOM 332 CG ASP A 21 35.778 45.068 15.217 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.442 44.484 14.164 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.657 46.302 15.373 1.00 0.00 O ATOM 0 H ASP A 21 34.481 43.686 17.813 1.00 0.00 H new ATOM 0 HA ASP A 21 35.678 42.443 15.536 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.362 44.815 17.267 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.520 44.187 16.111 1.00 0.00 H new ATOM 339 N THR A 22 37.843 41.432 16.380 1.00 0.00 N ATOM 340 CA THR A 22 38.878 40.513 16.808 1.00 0.00 C ATOM 341 C THR A 22 40.035 41.185 17.550 1.00 0.00 C ATOM 342 O THR A 22 40.336 42.361 17.355 1.00 0.00 O ATOM 343 CB THR A 22 39.447 39.697 15.651 1.00 0.00 C ATOM 344 OG1 THR A 22 40.028 40.534 14.676 1.00 0.00 O ATOM 345 CG2 THR A 22 38.401 38.835 14.951 1.00 0.00 C ATOM 0 H THR A 22 37.893 41.656 15.386 1.00 0.00 H new ATOM 0 HA THR A 22 38.368 39.850 17.507 1.00 0.00 H new ATOM 0 HB THR A 22 40.195 39.046 16.104 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.242 40.007 13.878 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.871 38.281 14.139 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.969 38.135 15.666 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.615 39.473 14.548 1.00 0.00 H new ATOM 353 N ILE A 23 40.774 40.404 18.333 1.00 0.00 N ATOM 354 CA ILE A 23 42.042 40.820 18.896 1.00 0.00 C ATOM 355 C ILE A 23 43.101 41.023 17.811 1.00 0.00 C ATOM 356 O ILE A 23 43.950 41.902 17.945 1.00 0.00 O ATOM 357 CB ILE A 23 42.498 39.834 19.969 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.484 39.629 21.090 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.850 40.221 20.561 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.949 40.890 21.762 1.00 0.00 C ATOM 0 H ILE A 23 40.501 39.456 18.593 1.00 0.00 H new ATOM 0 HA ILE A 23 41.902 41.789 19.375 1.00 0.00 H new ATOM 0 HB ILE A 23 42.594 38.882 19.446 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.638 39.072 20.687 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.943 39.003 21.855 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.137 39.493 21.320 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.602 40.237 19.772 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.779 41.210 21.015 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.238 40.614 22.540 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.776 41.444 22.206 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.451 41.514 21.020 1.00 0.00 H new ATOM 372 N GLU A 24 43.032 40.306 16.693 1.00 0.00 N ATOM 373 CA GLU A 24 43.838 40.588 15.522 1.00 0.00 C ATOM 374 C GLU A 24 43.631 42.015 15.011 1.00 0.00 C ATOM 375 O GLU A 24 44.610 42.698 14.716 1.00 0.00 O ATOM 376 CB GLU A 24 43.536 39.534 14.460 1.00 0.00 C ATOM 377 CG GLU A 24 44.275 39.747 13.142 1.00 0.00 C ATOM 378 CD GLU A 24 43.998 38.599 12.168 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.006 38.687 11.413 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.793 37.635 12.113 1.00 0.00 O ATOM 0 H GLU A 24 42.408 39.507 16.579 1.00 0.00 H new ATOM 0 HA GLU A 24 44.894 40.531 15.785 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.795 38.552 14.855 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.463 39.527 14.266 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.964 40.691 12.695 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.346 39.820 13.329 1.00 0.00 H new ATOM 387 N ASN A 25 42.395 42.506 14.982 1.00 0.00 N ATOM 388 CA ASN A 25 42.076 43.875 14.626 1.00 0.00 C ATOM 389 C ASN A 25 42.597 44.890 15.646 1.00 0.00 C ATOM 390 O ASN A 25 43.105 45.941 15.262 1.00 0.00 O ATOM 391 CB ASN A 25 40.568 43.978 14.427 1.00 0.00 C ATOM 392 CG ASN A 25 40.102 45.327 13.874 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.616 45.838 12.883 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.078 45.924 14.479 1.00 0.00 N ATOM 0 H ASN A 25 41.573 41.947 15.211 1.00 0.00 H new ATOM 0 HA ASN A 25 42.586 44.129 13.697 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.247 43.188 13.748 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.073 43.798 15.381 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.718 46.808 14.120 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.653 45.497 15.302 1.00 0.00 H new ATOM 401 N VAL A 26 42.536 44.573 16.936 1.00 0.00 N ATOM 402 CA VAL A 26 43.110 45.373 18.000 1.00 0.00 C ATOM 403 C VAL A 26 44.625 45.507 17.832 1.00 0.00 C ATOM 404 O VAL A 26 45.130 46.627 17.795 1.00 0.00 O ATOM 405 CB VAL A 26 42.747 44.803 19.369 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.478 45.452 20.541 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.250 44.926 19.634 1.00 0.00 C ATOM 0 H VAL A 26 42.073 43.729 17.273 1.00 0.00 H new ATOM 0 HA VAL A 26 42.684 46.374 17.937 1.00 0.00 H new ATOM 0 HB VAL A 26 43.061 43.761 19.316 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.158 44.985 21.473 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.553 45.319 20.418 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.245 46.517 20.570 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.019 44.512 20.616 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.961 45.976 19.606 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.699 44.377 18.870 1.00 0.00 H new ATOM 417 N LYS A 27 45.347 44.404 17.662 1.00 0.00 N ATOM 418 CA LYS A 27 46.785 44.406 17.482 1.00 0.00 C ATOM 419 C LYS A 27 47.212 45.166 16.224 1.00 0.00 C ATOM 420 O LYS A 27 48.198 45.898 16.268 1.00 0.00 O ATOM 421 CB LYS A 27 47.324 42.979 17.466 1.00 0.00 C ATOM 422 CG LYS A 27 47.267 42.255 18.808 1.00 0.00 C ATOM 423 CD LYS A 27 47.821 40.840 18.676 1.00 0.00 C ATOM 424 CE LYS A 27 47.718 40.034 19.967 1.00 0.00 C ATOM 425 NZ LYS A 27 48.297 38.692 19.804 1.00 0.00 N ATOM 0 H LYS A 27 44.937 43.470 17.646 1.00 0.00 H new ATOM 0 HA LYS A 27 47.217 44.934 18.332 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.760 42.401 16.734 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.359 43.001 17.125 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.841 42.809 19.551 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.237 42.217 19.164 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.283 40.318 17.885 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.866 40.892 18.370 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.234 40.561 20.770 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.672 39.948 20.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.703 37.995 20.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.342 38.454 18.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.256 38.676 20.207 1.00 0.00 H new ATOM 439 N ALA A 28 46.451 45.059 15.139 1.00 0.00 N ATOM 440 CA ALA A 28 46.708 45.780 13.910 1.00 0.00 C ATOM 441 C ALA A 28 46.558 47.294 14.072 1.00 0.00 C ATOM 442 O ALA A 28 47.438 48.041 13.650 1.00 0.00 O ATOM 443 CB ALA A 28 45.798 45.231 12.814 1.00 0.00 C ATOM 0 H ALA A 28 45.628 44.458 15.095 1.00 0.00 H new ATOM 0 HA ALA A 28 47.749 45.622 13.627 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.984 45.768 11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.003 44.170 12.668 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.756 45.362 13.106 1.00 0.00 H new ATOM 449 N LYS A 29 45.516 47.764 14.750 1.00 0.00 N ATOM 450 CA LYS A 29 45.317 49.174 15.022 1.00 0.00 C ATOM 451 C LYS A 29 46.385 49.756 15.950 1.00 0.00 C ATOM 452 O LYS A 29 46.829 50.881 15.735 1.00 0.00 O ATOM 453 CB LYS A 29 43.902 49.413 15.541 1.00 0.00 C ATOM 454 CG LYS A 29 42.882 49.313 14.411 1.00 0.00 C ATOM 455 CD LYS A 29 41.450 49.603 14.850 1.00 0.00 C ATOM 456 CE LYS A 29 40.622 49.875 13.597 1.00 0.00 C ATOM 457 NZ LYS A 29 39.193 50.086 13.881 1.00 0.00 N ATOM 0 H LYS A 29 44.781 47.166 15.128 1.00 0.00 H new ATOM 0 HA LYS A 29 45.431 49.714 14.082 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.666 48.682 16.315 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.842 50.398 16.004 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.159 50.011 13.621 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.925 48.312 13.982 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.041 48.756 15.401 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.423 50.463 15.520 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.019 50.755 13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.729 49.036 12.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.858 50.928 13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.651 49.254 13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.059 50.226 14.903 1.00 0.00 H new ATOM 471 N ILE A 30 46.872 48.985 16.919 1.00 0.00 N ATOM 472 CA ILE A 30 47.990 49.365 17.760 1.00 0.00 C ATOM 473 C ILE A 30 49.273 49.529 16.941 1.00 0.00 C ATOM 474 O ILE A 30 50.027 50.471 17.179 1.00 0.00 O ATOM 475 CB ILE A 30 48.152 48.373 18.908 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.971 48.483 19.868 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.458 48.566 19.673 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.838 47.289 20.810 1.00 0.00 C ATOM 0 H ILE A 30 46.491 48.065 17.141 1.00 0.00 H new ATOM 0 HA ILE A 30 47.780 50.340 18.199 1.00 0.00 H new ATOM 0 HB ILE A 30 48.180 47.378 18.465 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.078 49.392 20.460 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.052 48.584 19.291 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.520 47.834 20.478 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.300 48.431 18.994 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.488 49.571 20.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.978 47.435 21.463 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.700 46.379 20.226 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.741 47.199 21.414 1.00 0.00 H new ATOM 490 N GLN A 31 49.502 48.676 15.948 1.00 0.00 N ATOM 491 CA GLN A 31 50.613 48.835 15.031 1.00 0.00 C ATOM 492 C GLN A 31 50.472 50.112 14.200 1.00 0.00 C ATOM 493 O GLN A 31 51.437 50.863 14.080 1.00 0.00 O ATOM 494 CB GLN A 31 50.759 47.612 14.129 1.00 0.00 C ATOM 495 CG GLN A 31 52.050 47.678 13.318 1.00 0.00 C ATOM 496 CD GLN A 31 52.234 46.547 12.304 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.295 45.897 11.847 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.470 46.297 11.885 1.00 0.00 N ATOM 0 H GLN A 31 48.921 47.859 15.761 1.00 0.00 H new ATOM 0 HA GLN A 31 51.521 48.926 15.627 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.753 46.706 14.735 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.905 47.550 13.455 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.080 48.630 12.788 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.895 47.670 14.007 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.253 46.832 12.260 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.635 45.570 11.189 1.00 0.00 H new ATOM 507 N ASP A 32 49.295 50.385 13.642 1.00 0.00 N ATOM 508 CA ASP A 32 49.061 51.577 12.853 1.00 0.00 C ATOM 509 C ASP A 32 49.363 52.867 13.618 1.00 0.00 C ATOM 510 O ASP A 32 50.060 53.732 13.093 1.00 0.00 O ATOM 511 CB ASP A 32 47.629 51.590 12.325 1.00 0.00 C ATOM 512 CG ASP A 32 47.405 52.802 11.419 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.971 52.815 10.304 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.682 53.743 11.815 1.00 0.00 O ATOM 0 H ASP A 32 48.479 49.780 13.729 1.00 0.00 H new ATOM 0 HA ASP A 32 49.756 51.542 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.431 50.672 11.771 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.928 51.617 13.159 1.00 0.00 H new ATOM 519 N LYS A 33 48.877 52.986 14.850 1.00 0.00 N ATOM 520 CA LYS A 33 49.006 54.201 15.630 1.00 0.00 C ATOM 521 C LYS A 33 50.413 54.461 16.170 1.00 0.00 C ATOM 522 O LYS A 33 50.869 55.598 16.069 1.00 0.00 O ATOM 523 CB LYS A 33 47.955 54.234 16.736 1.00 0.00 C ATOM 524 CG LYS A 33 46.538 54.337 16.181 1.00 0.00 C ATOM 525 CD LYS A 33 45.470 54.609 17.235 1.00 0.00 C ATOM 526 CE LYS A 33 45.636 56.020 17.793 1.00 0.00 C ATOM 527 NZ LYS A 33 44.509 56.445 18.637 1.00 0.00 N ATOM 0 H LYS A 33 48.382 52.236 15.333 1.00 0.00 H new ATOM 0 HA LYS A 33 48.824 55.026 14.941 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.041 53.333 17.344 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.148 55.082 17.394 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.509 55.133 15.437 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.294 53.409 15.664 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.478 54.496 16.797 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.548 53.879 18.041 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.556 56.068 18.376 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.746 56.721 16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.739 57.351 19.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.659 56.560 18.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.331 55.725 19.366 1.00 0.00 H new ATOM 541 N GLU A 34 51.105 53.466 16.717 1.00 0.00 N ATOM 542 CA GLU A 34 52.356 53.636 17.429 1.00 0.00 C ATOM 543 C GLU A 34 53.526 52.801 16.904 1.00 0.00 C ATOM 544 O GLU A 34 54.648 52.949 17.383 1.00 0.00 O ATOM 545 CB GLU A 34 52.140 53.366 18.915 1.00 0.00 C ATOM 546 CG GLU A 34 51.233 54.341 19.662 1.00 0.00 C ATOM 547 CD GLU A 34 51.805 55.751 19.822 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.988 55.902 20.196 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.061 56.731 19.598 1.00 0.00 O ATOM 0 H GLU A 34 50.798 52.494 16.673 1.00 0.00 H new ATOM 0 HA GLU A 34 52.652 54.671 17.257 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.725 52.364 19.022 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.113 53.362 19.406 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.281 54.407 19.135 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.022 53.935 20.651 1.00 0.00 H new ATOM 556 N GLY A 35 53.323 51.922 15.927 1.00 0.00 N ATOM 557 CA GLY A 35 54.391 51.264 15.202 1.00 0.00 C ATOM 558 C GLY A 35 54.899 49.928 15.751 1.00 0.00 C ATOM 559 O GLY A 35 55.842 49.378 15.187 1.00 0.00 O ATOM 0 H GLY A 35 52.392 51.646 15.616 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.052 51.100 14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.236 51.950 15.152 1.00 0.00 H new ATOM 563 N ILE A 36 54.311 49.379 16.810 1.00 0.00 N ATOM 564 CA ILE A 36 54.739 48.125 17.396 1.00 0.00 C ATOM 565 C ILE A 36 54.131 46.957 16.618 1.00 0.00 C ATOM 566 O ILE A 36 52.906 46.852 16.591 1.00 0.00 O ATOM 567 CB ILE A 36 54.406 48.023 18.883 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.836 49.241 19.695 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.090 46.788 19.462 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.729 50.279 19.857 1.00 0.00 C ATOM 0 H ILE A 36 53.515 49.802 17.287 1.00 0.00 H new ATOM 0 HA ILE A 36 55.826 48.083 17.324 1.00 0.00 H new ATOM 0 HB ILE A 36 53.320 47.959 18.954 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.165 48.914 20.681 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.694 49.707 19.211 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.857 46.707 20.524 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.733 45.898 18.944 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.169 46.875 19.332 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.101 51.119 20.444 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.416 50.633 18.875 1.00 0.00 H new ATOM 0 HD13 ILE A 36 52.879 49.827 20.368 1.00 0.00 H new ATOM 582 N PRO A 37 54.902 46.062 16.006 1.00 0.00 N ATOM 583 CA PRO A 37 54.356 44.957 15.245 1.00 0.00 C ATOM 584 C PRO A 37 53.623 43.943 16.124 1.00 0.00 C ATOM 585 O PRO A 37 54.088 43.687 17.232 1.00 0.00 O ATOM 586 CB PRO A 37 55.539 44.316 14.523 1.00 0.00 C ATOM 587 CG PRO A 37 56.727 44.657 15.417 1.00 0.00 C ATOM 588 CD PRO A 37 56.350 46.021 15.986 1.00 0.00 C ATOM 0 HA PRO A 37 53.603 45.315 14.543 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.410 43.239 14.420 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.663 44.720 13.518 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.865 43.916 16.204 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.658 44.699 14.852 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.757 46.151 16.989 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.754 46.825 15.371 1.00 0.00 H new ATOM 596 N PRO A 38 52.535 43.329 15.670 1.00 0.00 N ATOM 597 CA PRO A 38 51.789 42.339 16.421 1.00 0.00 C ATOM 598 C PRO A 38 52.626 41.216 17.036 1.00 0.00 C ATOM 599 O PRO A 38 52.353 40.818 18.166 1.00 0.00 O ATOM 600 CB PRO A 38 50.749 41.779 15.454 1.00 0.00 C ATOM 601 CG PRO A 38 50.450 42.978 14.558 1.00 0.00 C ATOM 602 CD PRO A 38 51.816 43.652 14.453 1.00 0.00 C ATOM 0 HA PRO A 38 51.347 42.824 17.291 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.137 40.934 14.885 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.858 41.430 15.975 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.071 42.673 13.583 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.703 43.639 14.998 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.358 43.295 13.577 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.708 44.731 14.342 1.00 0.00 H new ATOM 610 N ASP A 39 53.686 40.756 16.377 1.00 0.00 N ATOM 611 CA ASP A 39 54.563 39.718 16.882 1.00 0.00 C ATOM 612 C ASP A 39 55.443 40.145 18.057 1.00 0.00 C ATOM 613 O ASP A 39 56.099 39.306 18.671 1.00 0.00 O ATOM 614 CB ASP A 39 55.392 39.170 15.724 1.00 0.00 C ATOM 615 CG ASP A 39 56.223 37.943 16.102 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.421 37.894 15.749 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.668 37.010 16.721 1.00 0.00 O ATOM 0 H ASP A 39 53.960 41.105 15.459 1.00 0.00 H new ATOM 0 HA ASP A 39 53.930 38.935 17.299 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.726 38.910 14.901 1.00 0.00 H new ATOM 0 HB3 ASP A 39 56.058 39.953 15.360 1.00 0.00 H new ATOM 622 N GLN A 40 55.460 41.427 18.412 1.00 0.00 N ATOM 623 CA GLN A 40 56.074 41.955 19.614 1.00 0.00 C ATOM 624 C GLN A 40 55.081 42.555 20.611 1.00 0.00 C ATOM 625 O GLN A 40 55.505 43.101 21.627 1.00 0.00 O ATOM 626 CB GLN A 40 57.197 42.927 19.265 1.00 0.00 C ATOM 627 CG GLN A 40 58.385 42.237 18.600 1.00 0.00 C ATOM 628 CD GLN A 40 59.708 42.893 19.001 1.00 0.00 C ATOM 629 OE1 GLN A 40 60.388 43.544 18.210 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.128 42.725 20.252 1.00 0.00 N ATOM 0 H GLN A 40 55.026 42.152 17.841 1.00 0.00 H new ATOM 0 HA GLN A 40 56.506 41.101 20.136 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.811 43.699 18.599 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.534 43.428 20.172 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.400 41.184 18.881 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.271 42.277 17.517 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.566 42.186 20.911 1.00 0.00 H new ATOM 0 HE22 GLN A 40 61.012 43.136 20.553 1.00 0.00 H new ATOM 639 N GLN A 41 53.775 42.435 20.393 1.00 0.00 N ATOM 640 CA GLN A 41 52.756 42.836 21.342 1.00 0.00 C ATOM 641 C GLN A 41 52.335 41.652 22.215 1.00 0.00 C ATOM 642 O GLN A 41 52.075 40.570 21.692 1.00 0.00 O ATOM 643 CB GLN A 41 51.539 43.393 20.609 1.00 0.00 C ATOM 644 CG GLN A 41 51.774 44.665 19.799 1.00 0.00 C ATOM 645 CD GLN A 41 50.511 45.105 19.057 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.390 44.912 19.522 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.618 45.709 17.878 1.00 0.00 N ATOM 0 H GLN A 41 53.393 42.047 19.531 1.00 0.00 H new ATOM 0 HA GLN A 41 53.175 43.613 21.982 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.159 42.623 19.938 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.757 43.591 21.342 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.103 45.464 20.464 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.577 44.496 19.082 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.539 45.879 17.474 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.779 46.003 17.377 1.00 0.00 H new ATOM 656 N ARG A 42 52.162 41.854 23.518 1.00 0.00 N ATOM 657 CA ARG A 42 51.421 40.974 24.399 1.00 0.00 C ATOM 658 C ARG A 42 50.358 41.788 25.139 1.00 0.00 C ATOM 659 O ARG A 42 50.698 42.711 25.877 1.00 0.00 O ATOM 660 CB ARG A 42 52.387 40.268 25.345 1.00 0.00 C ATOM 661 CG ARG A 42 51.679 39.243 26.227 1.00 0.00 C ATOM 662 CD ARG A 42 52.682 38.471 27.080 1.00 0.00 C ATOM 663 NE ARG A 42 52.046 37.353 27.777 1.00 0.00 N ATOM 664 CZ ARG A 42 52.044 37.083 29.090 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.684 37.840 29.992 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.387 36.011 29.550 1.00 0.00 N ATOM 0 H ARG A 42 52.550 42.665 24.001 1.00 0.00 H new ATOM 0 HA ARG A 42 50.906 40.199 23.831 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.164 39.771 24.765 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.883 41.007 25.975 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.960 39.748 26.872 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.116 38.549 25.604 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.486 38.096 26.447 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.136 39.144 27.808 1.00 0.00 H new ATOM 0 HE ARG A 42 51.538 36.693 27.187 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.203 38.664 29.690 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.652 37.592 30.981 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.889 35.401 28.902 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.385 35.804 30.549 1.00 0.00 H new ATOM 680 N LEU A 43 49.086 41.471 24.913 1.00 0.00 N ATOM 681 CA LEU A 43 47.953 42.178 25.474 1.00 0.00 C ATOM 682 C LEU A 43 47.287 41.372 26.591 1.00 0.00 C ATOM 683 O LEU A 43 46.998 40.193 26.401 1.00 0.00 O ATOM 684 CB LEU A 43 46.942 42.484 24.371 1.00 0.00 C ATOM 685 CG LEU A 43 47.347 43.602 23.416 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.457 43.560 22.176 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.173 44.973 24.063 1.00 0.00 C ATOM 0 H LEU A 43 48.814 40.690 24.315 1.00 0.00 H new ATOM 0 HA LEU A 43 48.314 43.110 25.908 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.773 41.576 23.792 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.991 42.749 24.834 1.00 0.00 H new ATOM 0 HG LEU A 43 48.395 43.452 23.157 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.746 44.359 21.493 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.572 42.597 21.678 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.416 43.694 22.471 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.470 45.749 23.357 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.128 45.115 24.340 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.796 45.036 24.955 1.00 0.00 H new ATOM 699 N ILE A 44 47.019 42.018 27.721 1.00 0.00 N ATOM 700 CA ILE A 44 46.426 41.434 28.908 1.00 0.00 C ATOM 701 C ILE A 44 45.172 42.207 29.320 1.00 0.00 C ATOM 702 O ILE A 44 45.145 43.435 29.267 1.00 0.00 O ATOM 703 CB ILE A 44 47.440 41.375 30.047 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.816 40.823 29.689 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.882 40.610 31.245 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.890 39.359 29.264 1.00 0.00 C ATOM 0 H ILE A 44 47.221 43.011 27.834 1.00 0.00 H new ATOM 0 HA ILE A 44 46.128 40.412 28.676 1.00 0.00 H new ATOM 0 HB ILE A 44 47.602 42.423 30.297 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.224 41.431 28.881 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.469 40.958 30.551 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.627 40.585 32.040 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.982 41.107 31.607 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.638 39.591 30.944 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.924 39.097 29.038 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.524 38.726 30.073 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.275 39.206 28.377 1.00 0.00 H new ATOM 718 N PHE A 45 44.141 41.499 29.772 1.00 0.00 N ATOM 719 CA PHE A 45 42.970 42.040 30.433 1.00 0.00 C ATOM 720 C PHE A 45 42.443 41.053 31.477 1.00 0.00 C ATOM 721 O PHE A 45 42.289 39.873 31.173 1.00 0.00 O ATOM 722 CB PHE A 45 41.887 42.328 29.397 1.00 0.00 C ATOM 723 CG PHE A 45 40.665 43.049 29.914 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.742 44.411 30.230 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.439 42.381 30.028 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.595 45.108 30.626 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.291 43.075 30.426 1.00 0.00 C ATOM 728 CZ PHE A 45 38.364 44.445 30.706 1.00 0.00 C ATOM 0 H PHE A 45 44.103 40.484 29.680 1.00 0.00 H new ATOM 0 HA PHE A 45 43.245 42.966 30.938 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.325 42.922 28.595 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.570 41.383 28.957 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.690 44.925 30.168 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.380 41.325 29.808 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.659 46.158 30.870 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.349 42.554 30.517 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.473 44.989 30.983 1.00 0.00 H new ATOM 738 N ALA A 46 42.163 41.500 32.697 1.00 0.00 N ATOM 739 CA ALA A 46 41.679 40.672 33.783 1.00 0.00 C ATOM 740 C ALA A 46 42.515 39.413 34.019 1.00 0.00 C ATOM 741 O ALA A 46 41.996 38.328 34.272 1.00 0.00 O ATOM 742 CB ALA A 46 40.190 40.414 33.576 1.00 0.00 C ATOM 0 H ALA A 46 42.272 42.480 32.960 1.00 0.00 H new ATOM 0 HA ALA A 46 41.802 41.212 34.722 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.812 39.791 34.387 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.654 41.363 33.567 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.038 39.903 32.625 1.00 0.00 H new ATOM 748 N GLY A 47 43.832 39.528 33.864 1.00 0.00 N ATOM 749 CA GLY A 47 44.785 38.439 33.919 1.00 0.00 C ATOM 750 C GLY A 47 44.780 37.455 32.746 1.00 0.00 C ATOM 751 O GLY A 47 45.682 36.623 32.682 1.00 0.00 O ATOM 0 H GLY A 47 44.278 40.429 33.689 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.784 38.866 33.999 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.605 37.876 34.835 1.00 0.00 H new ATOM 755 N LYS A 48 43.837 37.527 31.812 1.00 0.00 N ATOM 756 CA LYS A 48 43.833 36.747 30.592 1.00 0.00 C ATOM 757 C LYS A 48 44.708 37.408 29.525 1.00 0.00 C ATOM 758 O LYS A 48 44.652 38.622 29.347 1.00 0.00 O ATOM 759 CB LYS A 48 42.418 36.568 30.051 1.00 0.00 C ATOM 760 CG LYS A 48 41.540 35.644 30.890 1.00 0.00 C ATOM 761 CD LYS A 48 40.185 35.454 30.215 1.00 0.00 C ATOM 762 CE LYS A 48 39.276 34.439 30.900 1.00 0.00 C ATOM 763 NZ LYS A 48 38.902 34.856 32.261 1.00 0.00 N ATOM 0 H LYS A 48 43.033 38.150 31.891 1.00 0.00 H new ATOM 0 HA LYS A 48 44.239 35.765 30.833 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.940 37.545 29.986 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.476 36.173 29.037 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.031 34.679 31.016 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.403 36.065 31.886 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.673 36.416 30.179 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.347 35.140 29.184 1.00 0.00 H new ATOM 0 HE2 LYS A 48 38.374 34.301 30.304 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.780 33.474 30.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.284 34.136 32.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.760 34.963 32.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.397 35.764 32.219 1.00 0.00 H new ATOM 777 N GLN A 49 45.472 36.608 28.786 1.00 0.00 N ATOM 778 CA GLN A 49 46.113 37.043 27.561 1.00 0.00 C ATOM 779 C GLN A 49 45.070 37.148 26.448 1.00 0.00 C ATOM 780 O GLN A 49 44.224 36.267 26.311 1.00 0.00 O ATOM 781 CB GLN A 49 47.252 36.087 27.220 1.00 0.00 C ATOM 782 CG GLN A 49 47.980 36.463 25.933 1.00 0.00 C ATOM 783 CD GLN A 49 49.243 35.622 25.732 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.365 36.097 25.889 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.120 34.342 25.391 1.00 0.00 N ATOM 0 H GLN A 49 45.661 35.635 29.027 1.00 0.00 H new ATOM 0 HA GLN A 49 46.549 38.034 27.684 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.966 36.072 28.044 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.855 35.077 27.124 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.312 36.325 25.083 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.247 37.520 25.961 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.194 33.936 25.258 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.952 33.766 25.263 1.00 0.00 H new ATOM 794 N LEU A 50 45.120 38.205 25.642 1.00 0.00 N ATOM 795 CA LEU A 50 44.213 38.393 24.528 1.00 0.00 C ATOM 796 C LEU A 50 44.738 37.671 23.286 1.00 0.00 C ATOM 797 O LEU A 50 45.821 37.974 22.791 1.00 0.00 O ATOM 798 CB LEU A 50 43.937 39.876 24.295 1.00 0.00 C ATOM 799 CG LEU A 50 43.419 40.648 25.506 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.999 42.054 25.086 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.199 39.990 26.144 1.00 0.00 C ATOM 0 H LEU A 50 45.799 38.958 25.750 1.00 0.00 H new ATOM 0 HA LEU A 50 43.250 37.941 24.767 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.857 40.349 23.951 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.210 39.970 23.488 1.00 0.00 H new ATOM 0 HG LEU A 50 44.235 40.665 26.228 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.631 42.599 25.955 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.856 42.579 24.665 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.210 41.989 24.337 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.873 40.581 27.000 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.392 39.934 25.413 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.459 38.985 26.475 1.00 0.00 H new ATOM 813 N GLU A 51 43.963 36.709 22.790 1.00 0.00 N ATOM 814 CA GLU A 51 44.320 35.807 21.714 1.00 0.00 C ATOM 815 C GLU A 51 43.741 36.254 20.371 1.00 0.00 C ATOM 816 O GLU A 51 42.559 36.578 20.276 1.00 0.00 O ATOM 817 CB GLU A 51 43.877 34.395 22.089 1.00 0.00 C ATOM 818 CG GLU A 51 44.225 33.390 20.995 1.00 0.00 C ATOM 819 CD GLU A 51 44.102 31.936 21.452 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.110 31.200 21.380 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.987 31.482 21.794 1.00 0.00 O ATOM 0 H GLU A 51 43.025 36.535 23.150 1.00 0.00 H new ATOM 0 HA GLU A 51 45.402 35.819 21.584 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.355 34.098 23.022 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.801 34.385 22.265 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.569 33.552 20.140 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.244 33.572 20.654 1.00 0.00 H new ATOM 828 N ASP A 52 44.548 36.217 19.313 1.00 0.00 N ATOM 829 CA ASP A 52 44.268 36.769 18.003 1.00 0.00 C ATOM 830 C ASP A 52 42.967 36.288 17.357 1.00 0.00 C ATOM 831 O ASP A 52 42.331 37.034 16.617 1.00 0.00 O ATOM 832 CB ASP A 52 45.440 36.460 17.077 1.00 0.00 C ATOM 833 CG ASP A 52 46.804 36.819 17.669 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.405 37.852 17.299 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.301 36.089 18.553 1.00 0.00 O ATOM 0 H ASP A 52 45.466 35.774 19.357 1.00 0.00 H new ATOM 0 HA ASP A 52 44.135 37.841 18.152 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.428 35.398 16.833 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.306 37.003 16.142 1.00 0.00 H new ATOM 840 N GLY A 53 42.547 35.059 17.647 1.00 0.00 N ATOM 841 CA GLY A 53 41.334 34.441 17.150 1.00 0.00 C ATOM 842 C GLY A 53 40.053 34.755 17.923 1.00 0.00 C ATOM 843 O GLY A 53 38.983 34.347 17.476 1.00 0.00 O ATOM 0 H GLY A 53 43.074 34.442 18.266 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.193 34.747 16.113 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.476 33.360 17.146 1.00 0.00 H new ATOM 847 N ARG A 54 40.132 35.448 19.055 1.00 0.00 N ATOM 848 CA ARG A 54 38.990 35.847 19.854 1.00 0.00 C ATOM 849 C ARG A 54 38.529 37.273 19.549 1.00 0.00 C ATOM 850 O ARG A 54 39.212 38.044 18.879 1.00 0.00 O ATOM 851 CB ARG A 54 39.299 35.633 21.333 1.00 0.00 C ATOM 852 CG ARG A 54 39.403 34.175 21.773 1.00 0.00 C ATOM 853 CD ARG A 54 38.091 33.402 21.676 1.00 0.00 C ATOM 854 NE ARG A 54 37.933 32.682 20.412 1.00 0.00 N ATOM 855 CZ ARG A 54 36.948 32.775 19.507 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.952 33.668 19.562 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.943 31.931 18.467 1.00 0.00 N ATOM 0 H ARG A 54 41.022 35.754 19.449 1.00 0.00 H new ATOM 0 HA ARG A 54 38.145 35.213 19.586 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.238 36.134 21.567 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.523 36.119 21.924 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.154 33.674 21.162 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.757 34.142 22.803 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.035 32.691 22.500 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.259 34.096 21.797 1.00 0.00 H new ATOM 0 HE ARG A 54 38.674 32.018 20.189 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.909 34.337 20.330 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.236 33.679 18.835 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.680 31.233 18.374 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.202 31.987 17.769 1.00 0.00 H new ATOM 871 N THR A 55 37.351 37.616 20.064 1.00 0.00 N ATOM 872 CA THR A 55 36.709 38.911 19.964 1.00 0.00 C ATOM 873 C THR A 55 36.646 39.625 21.316 1.00 0.00 C ATOM 874 O THR A 55 36.694 38.987 22.366 1.00 0.00 O ATOM 875 CB THR A 55 35.313 38.821 19.352 1.00 0.00 C ATOM 876 OG1 THR A 55 34.426 38.079 20.158 1.00 0.00 O ATOM 877 CG2 THR A 55 35.305 38.198 17.960 1.00 0.00 C ATOM 0 H THR A 55 36.789 36.950 20.595 1.00 0.00 H new ATOM 0 HA THR A 55 37.332 39.502 19.293 1.00 0.00 H new ATOM 0 HB THR A 55 34.982 39.857 19.281 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.838 37.222 20.395 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.283 38.164 17.583 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.920 38.798 17.289 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.707 37.186 18.012 1.00 0.00 H new ATOM 885 N LEU A 56 36.514 40.948 21.311 1.00 0.00 N ATOM 886 CA LEU A 56 36.463 41.770 22.502 1.00 0.00 C ATOM 887 C LEU A 56 35.370 41.349 23.487 1.00 0.00 C ATOM 888 O LEU A 56 35.599 41.315 24.694 1.00 0.00 O ATOM 889 CB LEU A 56 36.301 43.215 22.039 1.00 0.00 C ATOM 890 CG LEU A 56 37.581 43.791 21.439 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.266 44.840 20.378 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.435 44.453 22.517 1.00 0.00 C ATOM 0 H LEU A 56 36.438 41.488 20.449 1.00 0.00 H new ATOM 0 HA LEU A 56 37.386 41.648 23.069 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.503 43.267 21.299 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.993 43.830 22.884 1.00 0.00 H new ATOM 0 HG LEU A 56 38.123 42.960 20.988 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.196 45.233 19.968 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.681 44.385 19.579 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.696 45.653 20.828 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.342 44.856 22.066 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.871 45.261 22.983 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.703 43.715 23.273 1.00 0.00 H new ATOM 904 N SER A 57 34.204 40.949 22.987 1.00 0.00 N ATOM 905 CA SER A 57 33.102 40.410 23.758 1.00 0.00 C ATOM 906 C SER A 57 33.368 39.050 24.409 1.00 0.00 C ATOM 907 O SER A 57 32.765 38.772 25.444 1.00 0.00 O ATOM 908 CB SER A 57 31.838 40.337 22.908 1.00 0.00 C ATOM 909 OG SER A 57 32.091 39.702 21.674 1.00 0.00 O ATOM 0 H SER A 57 33.999 40.996 21.989 1.00 0.00 H new ATOM 0 HA SER A 57 32.971 41.110 24.583 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.064 39.793 23.448 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.456 41.343 22.731 1.00 0.00 H new ATOM 0 HG SER A 57 32.412 40.363 21.026 1.00 0.00 H new ATOM 915 N ASP A 58 34.277 38.229 23.894 1.00 0.00 N ATOM 916 CA ASP A 58 34.680 36.991 24.531 1.00 0.00 C ATOM 917 C ASP A 58 35.391 37.228 25.865 1.00 0.00 C ATOM 918 O ASP A 58 35.351 36.377 26.749 1.00 0.00 O ATOM 919 CB ASP A 58 35.552 36.145 23.608 1.00 0.00 C ATOM 920 CG ASP A 58 34.894 35.772 22.278 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.704 35.389 22.251 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.566 35.847 21.227 1.00 0.00 O ATOM 0 H ASP A 58 34.757 38.411 23.013 1.00 0.00 H new ATOM 0 HA ASP A 58 33.762 36.441 24.740 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.475 36.688 23.403 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.830 35.230 24.130 1.00 0.00 H new ATOM 927 N TYR A 59 35.983 38.406 26.043 1.00 0.00 N ATOM 928 CA TYR A 59 36.624 38.875 27.255 1.00 0.00 C ATOM 929 C TYR A 59 35.796 39.885 28.051 1.00 0.00 C ATOM 930 O TYR A 59 36.268 40.383 29.070 1.00 0.00 O ATOM 931 CB TYR A 59 37.995 39.443 26.899 1.00 0.00 C ATOM 932 CG TYR A 59 38.912 38.485 26.178 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.594 37.493 26.893 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.082 38.597 24.793 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.450 36.607 26.227 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.956 37.734 24.122 1.00 0.00 C ATOM 937 CZ TYR A 59 40.637 36.727 24.837 1.00 0.00 C ATOM 938 OH TYR A 59 41.490 35.888 24.182 1.00 0.00 O ATOM 0 H TYR A 59 36.027 39.097 25.294 1.00 0.00 H new ATOM 0 HA TYR A 59 36.727 38.017 27.920 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.855 40.327 26.277 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.485 39.772 27.815 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.460 37.411 27.961 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.538 39.350 24.242 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.965 35.834 26.778 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.109 37.839 23.058 1.00 0.00 H new ATOM 0 HH TYR A 59 41.192 34.962 24.299 1.00 0.00 H new ATOM 948 N ASN A 60 34.585 40.204 27.601 1.00 0.00 N ATOM 949 CA ASN A 60 33.734 41.240 28.150 1.00 0.00 C ATOM 950 C ASN A 60 34.395 42.620 28.180 1.00 0.00 C ATOM 951 O ASN A 60 34.188 43.401 29.106 1.00 0.00 O ATOM 952 CB ASN A 60 33.118 40.759 29.459 1.00 0.00 C ATOM 953 CG ASN A 60 31.945 41.606 29.959 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.015 42.268 30.992 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.811 41.583 29.266 1.00 0.00 N ATOM 0 H ASN A 60 34.158 39.723 26.810 1.00 0.00 H new ATOM 0 HA ASN A 60 32.899 41.415 27.472 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.778 39.731 29.330 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.892 40.745 30.226 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.003 42.114 29.592 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.749 41.035 28.408 1.00 0.00 H new ATOM 962 N ILE A 61 35.203 42.956 27.178 1.00 0.00 N ATOM 963 CA ILE A 61 35.812 44.262 27.031 1.00 0.00 C ATOM 964 C ILE A 61 34.772 45.228 26.462 1.00 0.00 C ATOM 965 O ILE A 61 34.278 45.030 25.354 1.00 0.00 O ATOM 966 CB ILE A 61 37.075 44.186 26.177 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.153 43.356 26.869 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.615 45.582 25.882 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.227 42.823 25.925 1.00 0.00 C ATOM 0 H ILE A 61 35.454 42.308 26.432 1.00 0.00 H new ATOM 0 HA ILE A 61 36.132 44.637 28.003 1.00 0.00 H new ATOM 0 HB ILE A 61 36.808 43.703 25.237 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.629 43.965 27.637 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.680 42.515 27.376 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.515 45.503 25.272 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.862 46.157 25.344 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.855 46.085 26.819 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.956 42.244 26.493 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.765 42.186 25.171 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.729 43.658 25.436 1.00 0.00 H new ATOM 981 N GLN A 62 34.443 46.263 27.228 1.00 0.00 N ATOM 982 CA GLN A 62 33.398 47.224 26.942 1.00 0.00 C ATOM 983 C GLN A 62 33.909 48.664 27.029 1.00 0.00 C ATOM 984 O GLN A 62 35.022 48.898 27.494 1.00 0.00 O ATOM 985 CB GLN A 62 32.230 46.974 27.892 1.00 0.00 C ATOM 986 CG GLN A 62 31.565 45.624 27.637 1.00 0.00 C ATOM 987 CD GLN A 62 30.372 45.348 28.555 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.319 45.753 29.714 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.377 44.619 28.057 1.00 0.00 N ATOM 0 H GLN A 62 34.924 46.459 28.106 1.00 0.00 H new ATOM 0 HA GLN A 62 33.058 47.091 25.915 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.585 47.015 28.922 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.493 47.769 27.777 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.233 45.582 26.600 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.304 44.833 27.767 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.423 44.284 27.095 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.569 44.395 28.637 1.00 0.00 H new ATOM 998 N LYS A 63 33.125 49.636 26.573 1.00 0.00 N ATOM 999 CA LYS A 63 33.517 51.019 26.394 1.00 0.00 C ATOM 1000 C LYS A 63 34.289 51.651 27.554 1.00 0.00 C ATOM 1001 O LYS A 63 33.989 51.434 28.726 1.00 0.00 O ATOM 1002 CB LYS A 63 32.309 51.873 26.021 1.00 0.00 C ATOM 1003 CG LYS A 63 31.197 51.904 27.063 1.00 0.00 C ATOM 1004 CD LYS A 63 30.278 53.107 26.873 1.00 0.00 C ATOM 1005 CE LYS A 63 29.302 53.207 28.041 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.638 54.519 28.079 1.00 0.00 N ATOM 0 H LYS A 63 32.155 49.467 26.307 1.00 0.00 H new ATOM 0 HA LYS A 63 34.235 50.996 25.574 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.646 52.894 25.841 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.897 51.503 25.082 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.613 50.986 26.999 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.634 51.934 28.061 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.870 54.020 26.804 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.729 53.011 25.936 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.552 52.421 27.958 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.835 53.041 28.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.982 54.553 28.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.353 55.267 28.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.109 54.666 27.196 1.00 0.00 H new ATOM 1020 N GLU A 64 35.281 52.466 27.209 1.00 0.00 N ATOM 1021 CA GLU A 64 36.149 53.225 28.087 1.00 0.00 C ATOM 1022 C GLU A 64 37.016 52.418 29.056 1.00 0.00 C ATOM 1023 O GLU A 64 37.736 53.000 29.864 1.00 0.00 O ATOM 1024 CB GLU A 64 35.399 54.380 28.744 1.00 0.00 C ATOM 1025 CG GLU A 64 34.571 55.211 27.768 1.00 0.00 C ATOM 1026 CD GLU A 64 34.150 56.561 28.354 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.941 57.524 28.251 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.008 56.706 28.841 1.00 0.00 O ATOM 0 H GLU A 64 35.513 52.621 26.228 1.00 0.00 H new ATOM 0 HA GLU A 64 36.905 53.649 27.426 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.741 53.981 29.516 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.117 55.031 29.242 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.148 55.378 26.858 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.681 54.650 27.483 1.00 0.00 H new ATOM 1035 N SER A 65 37.026 51.093 28.947 1.00 0.00 N ATOM 1036 CA SER A 65 37.953 50.207 29.622 1.00 0.00 C ATOM 1037 C SER A 65 39.385 50.375 29.108 1.00 0.00 C ATOM 1038 O SER A 65 39.601 50.858 28.000 1.00 0.00 O ATOM 1039 CB SER A 65 37.550 48.746 29.452 1.00 0.00 C ATOM 1040 OG SER A 65 36.216 48.525 29.852 1.00 0.00 O ATOM 0 H SER A 65 36.359 50.592 28.360 1.00 0.00 H new ATOM 0 HA SER A 65 37.917 50.481 30.676 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.671 48.454 28.409 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.216 48.114 30.039 1.00 0.00 H new ATOM 0 HG SER A 65 35.611 48.767 29.120 1.00 0.00 H new ATOM 1046 N THR A 66 40.373 49.932 29.880 1.00 0.00 N ATOM 1047 CA THR A 66 41.779 49.958 29.533 1.00 0.00 C ATOM 1048 C THR A 66 42.338 48.539 29.394 1.00 0.00 C ATOM 1049 O THR A 66 42.154 47.706 30.278 1.00 0.00 O ATOM 1050 CB THR A 66 42.599 50.716 30.572 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.080 52.011 30.783 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.056 50.908 30.163 1.00 0.00 C ATOM 0 H THR A 66 40.202 49.530 30.802 1.00 0.00 H new ATOM 0 HA THR A 66 41.858 50.474 28.576 1.00 0.00 H new ATOM 0 HB THR A 66 42.543 50.102 31.471 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.622 52.475 31.454 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.584 51.454 30.945 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.525 49.935 30.020 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.101 51.473 29.232 1.00 0.00 H new ATOM 1060 N LEU A 67 43.079 48.282 28.320 1.00 0.00 N ATOM 1061 CA LEU A 67 43.853 47.076 28.111 1.00 0.00 C ATOM 1062 C LEU A 67 45.319 47.318 28.480 1.00 0.00 C ATOM 1063 O LEU A 67 45.845 48.401 28.232 1.00 0.00 O ATOM 1064 CB LEU A 67 43.729 46.608 26.664 1.00 0.00 C ATOM 1065 CG LEU A 67 42.308 46.497 26.118 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.331 45.925 24.703 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.424 45.600 26.980 1.00 0.00 C ATOM 0 H LEU A 67 43.155 48.939 27.544 1.00 0.00 H new ATOM 0 HA LEU A 67 43.461 46.291 28.757 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.288 47.297 26.031 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.209 45.633 26.576 1.00 0.00 H new ATOM 0 HG LEU A 67 41.893 47.505 26.123 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.312 45.850 24.324 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.912 46.581 24.055 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.786 44.934 24.718 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.424 45.553 26.550 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.850 44.597 27.018 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.366 46.008 27.989 1.00 0.00 H new ATOM 1079 N HIS A 68 46.003 46.318 29.026 1.00 0.00 N ATOM 1080 CA HIS A 68 47.412 46.422 29.351 1.00 0.00 C ATOM 1081 C HIS A 68 48.250 45.829 28.216 1.00 0.00 C ATOM 1082 O HIS A 68 47.975 44.724 27.756 1.00 0.00 O ATOM 1083 CB HIS A 68 47.704 45.751 30.691 1.00 0.00 C ATOM 1084 CG HIS A 68 47.076 46.384 31.903 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.392 47.598 31.962 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.087 45.831 33.157 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.014 47.753 33.234 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.410 46.710 33.980 1.00 0.00 N ATOM 0 H HIS A 68 45.591 45.413 29.254 1.00 0.00 H new ATOM 0 HA HIS A 68 47.684 47.472 29.454 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.371 44.715 30.635 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.784 45.731 30.836 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.537 44.892 33.445 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.464 48.603 33.611 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.241 46.588 34.978 1.00 0.00 H new ATOM 1096 N LEU A 69 49.261 46.558 27.753 1.00 0.00 N ATOM 1097 CA LEU A 69 50.170 46.158 26.698 1.00 0.00 C ATOM 1098 C LEU A 69 51.598 46.040 27.233 1.00 0.00 C ATOM 1099 O LEU A 69 52.086 46.931 27.924 1.00 0.00 O ATOM 1100 CB LEU A 69 50.046 47.149 25.543 1.00 0.00 C ATOM 1101 CG LEU A 69 51.011 46.971 24.375 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.937 45.604 23.700 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.706 48.004 23.295 1.00 0.00 C ATOM 0 H LEU A 69 49.474 47.484 28.123 1.00 0.00 H new ATOM 0 HA LEU A 69 49.907 45.169 26.323 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.029 47.092 25.155 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.179 48.154 25.943 1.00 0.00 H new ATOM 0 HG LEU A 69 52.004 47.086 24.809 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.655 45.563 22.881 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.171 44.826 24.427 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.932 45.445 23.309 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.397 47.874 22.462 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.683 47.871 22.942 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.819 49.006 23.708 1.00 0.00 H new ATOM 1115 N VAL A 70 52.263 44.941 26.888 1.00 0.00 N ATOM 1116 CA VAL A 70 53.628 44.611 27.244 1.00 0.00 C ATOM 1117 C VAL A 70 54.395 44.237 25.975 1.00 0.00 C ATOM 1118 O VAL A 70 53.847 43.573 25.097 1.00 0.00 O ATOM 1119 CB VAL A 70 53.639 43.479 28.266 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.051 43.138 28.737 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.808 43.803 29.504 1.00 0.00 C ATOM 0 H VAL A 70 51.830 44.215 26.316 1.00 0.00 H new ATOM 0 HA VAL A 70 54.118 45.470 27.703 1.00 0.00 H new ATOM 0 HB VAL A 70 53.205 42.627 27.742 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.006 42.327 29.463 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.654 42.828 27.884 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.502 44.016 29.201 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.849 42.965 30.200 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.207 44.695 29.987 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.773 43.981 29.211 1.00 0.00 H new ATOM 1131 N LEU A 71 55.663 44.625 25.867 1.00 0.00 N ATOM 1132 CA LEU A 71 56.540 44.200 24.796 1.00 0.00 C ATOM 1133 C LEU A 71 56.914 42.725 24.956 1.00 0.00 C ATOM 1134 O LEU A 71 57.301 42.303 26.043 1.00 0.00 O ATOM 1135 CB LEU A 71 57.780 45.091 24.773 1.00 0.00 C ATOM 1136 CG LEU A 71 58.720 44.845 23.597 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.203 45.471 22.305 1.00 0.00 C ATOM 1138 CD2 LEU A 71 60.099 45.430 23.888 1.00 0.00 C ATOM 0 H LEU A 71 56.110 45.253 26.535 1.00 0.00 H new ATOM 0 HA LEU A 71 56.022 44.300 23.842 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.461 46.133 24.754 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.334 44.944 25.700 1.00 0.00 H new ATOM 0 HG LEU A 71 58.778 43.764 23.467 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.906 45.269 21.496 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.232 45.043 22.057 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.102 46.548 22.438 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.758 45.246 23.040 1.00 0.00 H new ATOM 0 HD22 LEU A 71 60.011 46.504 24.054 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.514 44.958 24.779 1.00 0.00 H new ATOM 1150 N ARG A 72 56.838 41.953 23.875 1.00 0.00 N ATOM 1151 CA ARG A 72 57.314 40.588 23.785 1.00 0.00 C ATOM 1152 C ARG A 72 58.691 40.558 23.119 1.00 0.00 C ATOM 1153 O ARG A 72 58.821 40.942 21.959 1.00 0.00 O ATOM 1154 CB ARG A 72 56.261 39.735 23.082 1.00 0.00 C ATOM 1155 CG ARG A 72 56.549 38.239 23.168 1.00 0.00 C ATOM 1156 CD ARG A 72 55.359 37.403 22.706 1.00 0.00 C ATOM 1157 NE ARG A 72 55.168 37.459 21.257 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.022 37.267 20.590 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.839 37.134 21.206 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.008 37.187 19.254 1.00 0.00 N ATOM 0 H ARG A 72 56.424 42.282 23.003 1.00 0.00 H new ATOM 0 HA ARG A 72 57.455 40.155 24.776 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.285 39.937 23.523 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.205 40.029 22.034 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.419 38.001 22.556 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.800 37.976 24.196 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.506 36.367 23.011 1.00 0.00 H new ATOM 0 HD3 ARG A 72 54.455 37.756 23.203 1.00 0.00 H new ATOM 0 HE ARG A 72 55.994 37.666 20.695 1.00 0.00 H new ATOM 0 HH11 ARG A 72 52.786 37.178 22.224 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.992 36.989 20.657 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.878 37.272 18.729 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.127 37.041 18.761 1.00 0.00 H new ATOM 1174 N LEU A 73 59.713 40.153 23.867 1.00 0.00 N ATOM 1175 CA LEU A 73 61.115 40.259 23.512 1.00 0.00 C ATOM 1176 C LEU A 73 61.489 39.450 22.268 1.00 0.00 C ATOM 1177 O LEU A 73 61.293 38.237 22.239 1.00 0.00 O ATOM 1178 CB LEU A 73 61.923 39.818 24.728 1.00 0.00 C ATOM 1179 CG LEU A 73 63.441 39.867 24.585 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.951 41.298 24.434 1.00 0.00 C ATOM 1181 CD2 LEU A 73 64.090 39.261 25.827 1.00 0.00 C ATOM 0 H LEU A 73 59.574 39.722 24.781 1.00 0.00 H new ATOM 0 HA LEU A 73 61.338 41.292 23.246 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.639 40.445 25.573 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.636 38.797 24.978 1.00 0.00 H new ATOM 0 HG LEU A 73 63.702 39.304 23.689 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.036 41.289 24.335 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.509 41.750 23.546 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.672 41.878 25.313 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.175 39.296 25.725 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.790 39.829 26.708 1.00 0.00 H new ATOM 0 HD23 LEU A 73 63.769 38.225 25.936 1.00 0.00 H new ATOM 1193 N ARG A 74 62.082 40.093 21.267 1.00 0.00 N ATOM 1194 CA ARG A 74 62.490 39.501 20.009 1.00 0.00 C ATOM 1195 C ARG A 74 63.886 39.957 19.581 1.00 0.00 C ATOM 1196 O ARG A 74 64.201 41.142 19.647 1.00 0.00 O ATOM 1197 CB ARG A 74 61.439 39.826 18.950 1.00 0.00 C ATOM 1198 CG ARG A 74 61.550 38.962 17.697 1.00 0.00 C ATOM 1199 CD ARG A 74 60.393 39.180 16.727 1.00 0.00 C ATOM 1200 NE ARG A 74 60.449 40.483 16.065 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.653 40.896 15.068 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.622 40.157 14.635 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.861 42.080 14.476 1.00 0.00 N ATOM 0 H ARG A 74 62.299 41.088 21.319 1.00 0.00 H new ATOM 0 HA ARG A 74 62.557 38.420 20.133 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.447 39.698 19.383 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.531 40.875 18.668 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.490 39.183 17.191 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.583 37.912 17.987 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.404 38.393 15.973 1.00 0.00 H new ATOM 0 HD3 ARG A 74 59.450 39.092 17.267 1.00 0.00 H new ATOM 0 HE ARG A 74 61.159 41.138 16.392 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.425 39.254 15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.034 40.498 13.874 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.630 42.676 14.783 1.00 0.00 H new ATOM 0 HH22 ARG A 74 59.250 42.386 13.718 1.00 0.00 H new ATOM 1217 N GLY A 75 64.705 39.019 19.113 1.00 0.00 N ATOM 1218 CA GLY A 75 66.092 39.237 18.756 1.00 0.00 C ATOM 1219 C GLY A 75 67.019 39.494 19.946 1.00 0.00 C ATOM 1220 O GLY A 75 66.577 39.533 21.092 1.00 0.00 O ATOM 0 H GLY A 75 64.405 38.055 18.969 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.455 38.366 18.210 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.150 40.087 18.076 1.00 0.00 H new ATOM 1224 N GLY A 76 68.305 39.676 19.656 1.00 0.00 N ATOM 1225 CA GLY A 76 69.360 39.974 20.604 1.00 0.00 C ATOM 1226 C GLY A 76 69.622 38.854 21.614 1.00 0.00 C ATOM 1227 O GLY A 76 69.924 37.721 21.182 1.00 0.00 O ATOM 1228 OXT GLY A 76 69.520 39.111 22.833 1.00 0.00 O ATOM 0 H GLY A 76 68.651 39.615 18.699 1.00 0.00 H new ATOM 0 HA2 GLY A 76 70.280 40.178 20.056 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.102 40.885 21.145 1.00 0.00 H new TER 1232 GLY A 76