USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 53 MET CE :methyl -171:sc= -0.094 (180deg=-0.415) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 MET CE :methyl 176:sc= -0.022 (180deg=-0.0542) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot -29:sc= 1.72 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -133:sc= 0.776 (180deg=0.621) USER MOD Single : A 23 GLN : amide:sc= 1.12 K(o=1.1,f=-7.4!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.568 K(o=-0.57,f=-2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.079) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 173:sc= 0 (180deg=-0.0571) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.263 K(o=0.26,f=-0.57) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.0524 X(o=0.052,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 72 HIS : no HD1:sc= -0.0739 K(o=-0.074,f=-2.7!) USER MOD Single : A 76 CYS SG : rot 24:sc= 0.393 USER MOD Single : A 88 GLN : amide:sc= 0.805 K(o=0.81,f=-4.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.545 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -172:sc= -0.356 (180deg=-0.675) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0118 K(o=-0.012,f=-0.57) USER MOD Single : A 108 THR OG1 : rot 31:sc= 0.129 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 15.680 3.878 11.247 1.00 0.00 N ATOM 2 CA GLN A 23 15.261 4.428 9.953 1.00 0.00 C ATOM 3 C GLN A 23 13.930 3.820 9.461 1.00 0.00 C ATOM 4 O GLN A 23 13.560 2.704 9.842 1.00 0.00 O ATOM 5 CB GLN A 23 16.375 4.221 8.907 1.00 0.00 C ATOM 6 CG GLN A 23 17.675 4.966 9.260 1.00 0.00 C ATOM 7 CD GLN A 23 18.744 4.793 8.183 1.00 0.00 C ATOM 8 OE1 GLN A 23 18.970 5.662 7.347 1.00 0.00 O ATOM 9 NE2 GLN A 23 19.438 3.675 8.144 1.00 0.00 N ATOM 0 HA GLN A 23 15.089 5.496 10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.586 3.156 8.815 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.020 4.561 7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.461 6.027 9.391 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.057 4.598 10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.263 2.942 8.831 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.151 3.542 7.426 1.00 0.00 H new ATOM 18 N ILE A 24 13.217 4.546 8.592 1.00 0.00 N ATOM 19 CA ILE A 24 11.972 4.104 7.946 1.00 0.00 C ATOM 20 C ILE A 24 12.225 3.236 6.708 1.00 0.00 C ATOM 21 O ILE A 24 13.328 3.186 6.164 1.00 0.00 O ATOM 22 CB ILE A 24 11.068 5.311 7.595 1.00 0.00 C ATOM 23 CG1 ILE A 24 11.816 6.442 6.838 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.362 5.823 8.855 1.00 0.00 C ATOM 25 CD1 ILE A 24 10.955 7.660 6.463 1.00 0.00 C ATOM 0 H ILE A 24 13.497 5.485 8.309 1.00 0.00 H new ATOM 0 HA ILE A 24 11.451 3.478 8.671 1.00 0.00 H new ATOM 0 HB ILE A 24 10.312 4.958 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.648 6.782 7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.244 6.025 5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.729 6.672 8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.748 5.027 9.277 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.106 6.135 9.588 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.569 8.392 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.137 7.342 5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.547 8.110 7.368 1.00 0.00 H new ATOM 37 N ASN A 25 11.160 2.592 6.221 1.00 0.00 N ATOM 38 CA ASN A 25 11.175 1.639 5.104 1.00 0.00 C ATOM 39 C ASN A 25 11.200 2.307 3.708 1.00 0.00 C ATOM 40 O ASN A 25 10.626 1.808 2.740 1.00 0.00 O ATOM 41 CB ASN A 25 9.996 0.666 5.289 1.00 0.00 C ATOM 42 CG ASN A 25 9.880 0.101 6.700 1.00 0.00 C ATOM 43 OD1 ASN A 25 8.892 0.306 7.392 1.00 0.00 O ATOM 44 ND2 ASN A 25 10.889 -0.577 7.200 1.00 0.00 N ATOM 0 H ASN A 25 10.226 2.725 6.609 1.00 0.00 H new ATOM 0 HA ASN A 25 12.113 1.085 5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.069 1.181 5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.104 -0.159 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.844 -0.927 8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.717 -0.753 6.631 1.00 0.00 H new ATOM 51 N GLN A 26 11.854 3.466 3.641 1.00 0.00 N ATOM 52 CA GLN A 26 11.844 4.458 2.559 1.00 0.00 C ATOM 53 C GLN A 26 13.243 4.819 2.042 1.00 0.00 C ATOM 54 O GLN A 26 14.260 4.280 2.484 1.00 0.00 O ATOM 55 CB GLN A 26 11.075 5.719 3.017 1.00 0.00 C ATOM 56 CG GLN A 26 9.823 5.454 3.873 1.00 0.00 C ATOM 57 CD GLN A 26 8.842 4.456 3.256 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.768 4.272 2.051 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.091 3.739 4.065 1.00 0.00 N ATOM 0 H GLN A 26 12.458 3.763 4.408 1.00 0.00 H new ATOM 0 HA GLN A 26 11.332 4.002 1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.756 6.353 3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.777 6.283 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.136 5.083 4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.305 6.398 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.145 3.884 5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.455 3.038 3.684 1.00 0.00 H new ATOM 68 N VAL A 27 13.269 5.746 1.083 1.00 0.00 N ATOM 69 CA VAL A 27 14.481 6.268 0.434 1.00 0.00 C ATOM 70 C VAL A 27 14.971 7.519 1.169 1.00 0.00 C ATOM 71 O VAL A 27 14.368 7.954 2.149 1.00 0.00 O ATOM 72 CB VAL A 27 14.254 6.443 -1.097 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.834 6.863 -1.514 1.00 0.00 C ATOM 74 CG2 VAL A 27 15.235 7.304 -1.905 1.00 0.00 C ATOM 0 H VAL A 27 12.416 6.172 0.721 1.00 0.00 H new ATOM 0 HA VAL A 27 15.296 5.548 0.511 1.00 0.00 H new ATOM 0 HB VAL A 27 14.453 5.405 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.786 6.956 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 27 12.120 6.109 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.589 7.821 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.930 7.319 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.235 8.321 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.238 6.885 -1.826 1.00 0.00 H new ATOM 84 N ARG A 28 16.156 7.976 0.761 1.00 0.00 N ATOM 85 CA ARG A 28 16.860 9.238 1.068 1.00 0.00 C ATOM 86 C ARG A 28 17.929 9.492 -0.030 1.00 0.00 C ATOM 87 O ARG A 28 18.548 8.523 -0.475 1.00 0.00 O ATOM 88 CB ARG A 28 17.512 9.157 2.470 1.00 0.00 C ATOM 89 CG ARG A 28 18.315 10.423 2.833 1.00 0.00 C ATOM 90 CD ARG A 28 18.868 10.460 4.260 1.00 0.00 C ATOM 91 NE ARG A 28 19.783 9.332 4.537 1.00 0.00 N ATOM 92 CZ ARG A 28 19.564 8.291 5.324 1.00 0.00 C ATOM 93 NH1 ARG A 28 18.460 8.122 5.993 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.458 7.359 5.470 1.00 0.00 N ATOM 0 H ARG A 28 16.719 7.406 0.130 1.00 0.00 H new ATOM 0 HA ARG A 28 16.153 10.068 1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.735 8.999 3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.172 8.291 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.147 10.518 2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.676 11.293 2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.396 11.400 4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.040 10.436 4.969 1.00 0.00 H new ATOM 0 HE ARG A 28 20.688 9.359 4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.711 8.811 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.344 7.300 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.347 7.423 4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.271 6.564 6.081 1.00 0.00 H new ATOM 108 N PRO A 29 18.157 10.746 -0.476 1.00 0.00 N ATOM 109 CA PRO A 29 19.069 11.069 -1.580 1.00 0.00 C ATOM 110 C PRO A 29 20.455 11.560 -1.120 1.00 0.00 C ATOM 111 O PRO A 29 20.666 11.896 0.049 1.00 0.00 O ATOM 112 CB PRO A 29 18.332 12.177 -2.337 1.00 0.00 C ATOM 113 CG PRO A 29 17.688 12.979 -1.210 1.00 0.00 C ATOM 114 CD PRO A 29 17.391 11.938 -0.132 1.00 0.00 C ATOM 0 HA PRO A 29 19.287 10.184 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.015 12.786 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.588 11.773 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.358 13.755 -0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.778 13.476 -1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.675 12.309 0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.325 11.715 -0.093 1.00 0.00 H new ATOM 122 N LYS A 30 21.388 11.659 -2.077 1.00 0.00 N ATOM 123 CA LYS A 30 22.696 12.328 -1.919 1.00 0.00 C ATOM 124 C LYS A 30 22.519 13.841 -2.134 1.00 0.00 C ATOM 125 O LYS A 30 21.551 14.253 -2.769 1.00 0.00 O ATOM 126 CB LYS A 30 23.699 11.676 -2.896 1.00 0.00 C ATOM 127 CG LYS A 30 25.170 11.919 -2.518 1.00 0.00 C ATOM 128 CD LYS A 30 26.113 11.251 -3.528 1.00 0.00 C ATOM 129 CE LYS A 30 27.575 11.482 -3.121 1.00 0.00 C ATOM 130 NZ LYS A 30 28.521 10.829 -4.067 1.00 0.00 N ATOM 0 H LYS A 30 21.255 11.267 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 30 23.097 12.204 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.514 10.602 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.521 12.064 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.368 12.990 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.363 11.526 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.906 10.182 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.937 11.656 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.778 12.552 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.739 11.093 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.498 11.007 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.344 9.804 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.382 11.219 -5.021 1.00 0.00 H new ATOM 144 N LEU A 31 23.448 14.678 -1.666 1.00 0.00 N ATOM 145 CA LEU A 31 23.343 16.153 -1.715 1.00 0.00 C ATOM 146 C LEU A 31 22.936 16.758 -3.085 1.00 0.00 C ATOM 147 O LEU A 31 21.997 17.555 -3.099 1.00 0.00 O ATOM 148 CB LEU A 31 24.647 16.788 -1.186 1.00 0.00 C ATOM 149 CG LEU A 31 24.969 16.511 0.298 1.00 0.00 C ATOM 150 CD1 LEU A 31 26.300 17.169 0.662 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.898 17.050 1.249 1.00 0.00 C ATOM 0 H LEU A 31 24.312 14.352 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 31 22.505 16.404 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.478 16.428 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.590 17.867 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 31 25.012 15.428 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.528 16.974 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 31 27.092 16.758 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.230 18.245 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.179 16.826 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.810 18.129 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.941 16.580 1.023 1.00 0.00 H new ATOM 163 N PRO A 32 23.525 16.384 -4.244 1.00 0.00 N ATOM 164 CA PRO A 32 23.088 16.918 -5.543 1.00 0.00 C ATOM 165 C PRO A 32 21.688 16.438 -5.959 1.00 0.00 C ATOM 166 O PRO A 32 20.970 17.172 -6.632 1.00 0.00 O ATOM 167 CB PRO A 32 24.165 16.490 -6.545 1.00 0.00 C ATOM 168 CG PRO A 32 24.776 15.240 -5.917 1.00 0.00 C ATOM 169 CD PRO A 32 24.707 15.547 -4.424 1.00 0.00 C ATOM 0 HA PRO A 32 22.986 18.002 -5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.737 16.276 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.912 17.271 -6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.213 14.342 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.801 15.079 -6.250 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.630 14.630 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.607 16.064 -4.089 1.00 0.00 H new ATOM 177 N LEU A 33 21.250 15.253 -5.516 1.00 0.00 N ATOM 178 CA LEU A 33 19.893 14.740 -5.774 1.00 0.00 C ATOM 179 C LEU A 33 18.851 15.410 -4.859 1.00 0.00 C ATOM 180 O LEU A 33 17.748 15.734 -5.297 1.00 0.00 O ATOM 181 CB LEU A 33 19.879 13.203 -5.646 1.00 0.00 C ATOM 182 CG LEU A 33 20.357 12.440 -6.897 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.823 12.690 -7.256 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.188 10.938 -6.666 1.00 0.00 C ATOM 0 H LEU A 33 21.828 14.618 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 33 19.611 14.996 -6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.508 12.918 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.864 12.883 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 33 19.747 12.807 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 33 22.082 12.118 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.974 13.752 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 33 22.459 12.379 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.525 10.394 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.781 10.634 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.137 10.714 -6.481 1.00 0.00 H new ATOM 196 N LEU A 34 19.228 15.710 -3.611 1.00 0.00 N ATOM 197 CA LEU A 34 18.452 16.532 -2.670 1.00 0.00 C ATOM 198 C LEU A 34 18.251 17.955 -3.219 1.00 0.00 C ATOM 199 O LEU A 34 17.167 18.509 -3.065 1.00 0.00 O ATOM 200 CB LEU A 34 19.207 16.500 -1.316 1.00 0.00 C ATOM 201 CG LEU A 34 18.449 17.000 -0.065 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.977 16.303 1.191 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.644 18.502 0.137 1.00 0.00 C ATOM 0 H LEU A 34 20.107 15.379 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 34 17.445 16.139 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.522 15.473 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.113 17.097 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 34 17.394 16.776 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.434 16.665 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.835 15.226 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.039 16.520 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.099 18.824 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.705 18.717 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.268 19.038 -0.734 1.00 0.00 H new ATOM 215 N LYS A 35 19.241 18.505 -3.940 1.00 0.00 N ATOM 216 CA LYS A 35 19.206 19.841 -4.567 1.00 0.00 C ATOM 217 C LYS A 35 18.064 19.988 -5.581 1.00 0.00 C ATOM 218 O LYS A 35 17.336 20.980 -5.573 1.00 0.00 O ATOM 219 CB LYS A 35 20.569 20.086 -5.251 1.00 0.00 C ATOM 220 CG LYS A 35 21.055 21.537 -5.203 1.00 0.00 C ATOM 221 CD LYS A 35 21.457 21.954 -3.778 1.00 0.00 C ATOM 222 CE LYS A 35 22.400 23.160 -3.849 1.00 0.00 C ATOM 223 NZ LYS A 35 22.785 23.647 -2.495 1.00 0.00 N ATOM 0 H LYS A 35 20.120 18.016 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 35 19.021 20.584 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.317 19.450 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.499 19.775 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.907 21.658 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.268 22.197 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.570 22.205 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.947 21.124 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.297 22.887 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.917 23.966 -4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.423 24.463 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.932 23.932 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.269 22.886 -1.977 1.00 0.00 H new ATOM 237 N ILE A 36 17.876 18.952 -6.405 1.00 0.00 N ATOM 238 CA ILE A 36 16.828 18.865 -7.437 1.00 0.00 C ATOM 239 C ILE A 36 15.452 18.988 -6.779 1.00 0.00 C ATOM 240 O ILE A 36 14.656 19.849 -7.137 1.00 0.00 O ATOM 241 CB ILE A 36 16.957 17.532 -8.218 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.340 17.426 -8.895 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.856 17.368 -9.281 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.673 16.010 -9.374 1.00 0.00 C ATOM 0 H ILE A 36 18.467 18.121 -6.374 1.00 0.00 H new ATOM 0 HA ILE A 36 16.947 19.682 -8.148 1.00 0.00 H new ATOM 0 HB ILE A 36 16.843 16.732 -7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.374 18.107 -9.745 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.107 17.754 -8.193 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.990 16.419 -9.800 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.879 17.382 -8.798 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.918 18.186 -9.998 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.658 16.006 -9.840 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.671 15.328 -8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.927 15.687 -10.100 1.00 0.00 H new ATOM 256 N LEU A 37 15.182 18.165 -5.765 1.00 0.00 N ATOM 257 CA LEU A 37 13.908 18.195 -5.046 1.00 0.00 C ATOM 258 C LEU A 37 13.741 19.451 -4.162 1.00 0.00 C ATOM 259 O LEU A 37 12.633 19.973 -4.048 1.00 0.00 O ATOM 260 CB LEU A 37 13.643 16.783 -4.470 1.00 0.00 C ATOM 261 CG LEU A 37 13.071 15.903 -5.612 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.334 14.416 -5.439 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.559 16.088 -5.729 1.00 0.00 C ATOM 0 H LEU A 37 15.836 17.462 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 37 13.054 18.368 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.565 16.351 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.939 16.835 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 37 13.591 16.239 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.903 13.870 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.409 14.238 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.879 14.072 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.177 15.462 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.084 15.801 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.336 17.133 -5.944 1.00 0.00 H new ATOM 275 N HIS A 38 14.825 20.024 -3.624 1.00 0.00 N ATOM 276 CA HIS A 38 14.815 21.346 -2.968 1.00 0.00 C ATOM 277 C HIS A 38 14.401 22.474 -3.928 1.00 0.00 C ATOM 278 O HIS A 38 13.689 23.386 -3.503 1.00 0.00 O ATOM 279 CB HIS A 38 16.194 21.661 -2.355 1.00 0.00 C ATOM 280 CG HIS A 38 16.294 21.422 -0.867 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.010 22.228 0.025 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.672 20.431 -0.162 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.797 21.709 1.246 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.994 20.634 1.164 1.00 0.00 N ATOM 0 H HIS A 38 15.744 19.582 -3.630 1.00 0.00 H new ATOM 0 HA HIS A 38 14.068 21.296 -2.175 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.947 21.054 -2.858 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.437 22.704 -2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.051 19.644 -0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.212 22.100 2.163 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.677 20.065 1.949 1.00 0.00 H new ATOM 292 N ALA A 39 14.747 22.395 -5.222 1.00 0.00 N ATOM 293 CA ALA A 39 14.260 23.349 -6.233 1.00 0.00 C ATOM 294 C ALA A 39 12.719 23.370 -6.368 1.00 0.00 C ATOM 295 O ALA A 39 12.154 24.371 -6.816 1.00 0.00 O ATOM 296 CB ALA A 39 14.908 23.054 -7.594 1.00 0.00 C ATOM 0 H ALA A 39 15.366 21.676 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 39 14.552 24.341 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.541 23.765 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.991 23.146 -7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.653 22.041 -7.907 1.00 0.00 H new ATOM 302 N ALA A 40 12.040 22.292 -5.947 1.00 0.00 N ATOM 303 CA ALA A 40 10.582 22.178 -5.861 1.00 0.00 C ATOM 304 C ALA A 40 10.047 22.177 -4.408 1.00 0.00 C ATOM 305 O ALA A 40 8.963 21.650 -4.141 1.00 0.00 O ATOM 306 CB ALA A 40 10.141 20.962 -6.680 1.00 0.00 C ATOM 0 H ALA A 40 12.515 21.442 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 40 10.131 23.072 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.057 20.862 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.443 21.094 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.609 20.063 -6.278 1.00 0.00 H new ATOM 312 N GLY A 41 10.802 22.748 -3.459 1.00 0.00 N ATOM 313 CA GLY A 41 10.368 22.975 -2.072 1.00 0.00 C ATOM 314 C GLY A 41 10.279 21.722 -1.187 1.00 0.00 C ATOM 315 O GLY A 41 9.648 21.770 -0.128 1.00 0.00 O ATOM 0 H GLY A 41 11.752 23.072 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.058 23.678 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.389 23.454 -2.091 1.00 0.00 H new ATOM 319 N ALA A 42 10.873 20.601 -1.610 1.00 0.00 N ATOM 320 CA ALA A 42 10.836 19.325 -0.904 1.00 0.00 C ATOM 321 C ALA A 42 11.900 19.224 0.215 1.00 0.00 C ATOM 322 O ALA A 42 12.570 20.195 0.572 1.00 0.00 O ATOM 323 CB ALA A 42 11.051 18.233 -1.960 1.00 0.00 C ATOM 0 H ALA A 42 11.407 20.560 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 42 9.876 19.215 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.032 17.254 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.258 18.287 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.016 18.381 -2.445 1.00 0.00 H new ATOM 329 N GLN A 43 12.100 17.998 0.709 1.00 0.00 N ATOM 330 CA GLN A 43 13.189 17.580 1.613 1.00 0.00 C ATOM 331 C GLN A 43 13.957 16.379 1.019 1.00 0.00 C ATOM 332 O GLN A 43 14.171 15.348 1.658 1.00 0.00 O ATOM 333 CB GLN A 43 12.650 17.331 3.035 1.00 0.00 C ATOM 334 CG GLN A 43 12.036 18.587 3.676 1.00 0.00 C ATOM 335 CD GLN A 43 11.595 18.328 5.116 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.286 18.648 6.076 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.440 17.729 5.332 1.00 0.00 N ATOM 0 H GLN A 43 11.475 17.225 0.480 1.00 0.00 H new ATOM 0 HA GLN A 43 13.916 18.387 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.897 16.544 2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.461 16.968 3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.764 19.398 3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.180 18.915 3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.852 17.456 4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.135 17.539 6.287 1.00 0.00 H new ATOM 346 N GLY A 44 14.327 16.499 -0.261 1.00 0.00 N ATOM 347 CA GLY A 44 15.009 15.470 -1.036 1.00 0.00 C ATOM 348 C GLY A 44 14.091 14.320 -1.444 1.00 0.00 C ATOM 349 O GLY A 44 13.157 14.507 -2.209 1.00 0.00 O ATOM 0 H GLY A 44 14.151 17.347 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.436 15.921 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.840 15.074 -0.452 1.00 0.00 H new ATOM 353 N GLU A 45 14.395 13.125 -0.945 1.00 0.00 N ATOM 354 CA GLU A 45 13.692 11.854 -1.193 1.00 0.00 C ATOM 355 C GLU A 45 13.572 11.032 0.098 1.00 0.00 C ATOM 356 O GLU A 45 13.434 9.819 0.053 1.00 0.00 O ATOM 357 CB GLU A 45 14.371 11.031 -2.309 1.00 0.00 C ATOM 358 CG GLU A 45 14.391 11.709 -3.676 1.00 0.00 C ATOM 359 CD GLU A 45 14.927 10.744 -4.754 1.00 0.00 C ATOM 360 OE1 GLU A 45 14.143 9.905 -5.260 1.00 0.00 O ATOM 361 OE2 GLU A 45 16.131 10.821 -5.097 1.00 0.00 O ATOM 0 H GLU A 45 15.188 13.003 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 45 12.687 12.101 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.397 10.815 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.857 10.074 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.385 12.036 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.016 12.601 -3.636 1.00 0.00 H new ATOM 368 N MET A 46 13.705 11.673 1.264 1.00 0.00 N ATOM 369 CA MET A 46 13.771 11.029 2.592 1.00 0.00 C ATOM 370 C MET A 46 12.386 10.589 3.117 1.00 0.00 C ATOM 371 O MET A 46 11.980 10.899 4.238 1.00 0.00 O ATOM 372 CB MET A 46 14.595 11.932 3.501 1.00 0.00 C ATOM 373 CG MET A 46 14.955 11.350 4.876 1.00 0.00 C ATOM 374 SD MET A 46 16.120 12.360 5.836 1.00 0.00 S ATOM 375 CE MET A 46 15.109 13.832 6.165 1.00 0.00 C ATOM 0 H MET A 46 13.772 12.689 1.317 1.00 0.00 H new ATOM 0 HA MET A 46 14.287 10.070 2.544 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.519 12.190 2.984 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.045 12.861 3.654 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.040 11.224 5.455 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.383 10.357 4.736 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.640 14.493 6.850 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.917 14.358 5.230 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.162 13.530 6.613 1.00 0.00 H new ATOM 385 N PHE A 47 11.631 9.920 2.244 1.00 0.00 N ATOM 386 CA PHE A 47 10.204 9.594 2.402 1.00 0.00 C ATOM 387 C PHE A 47 9.669 8.615 1.330 1.00 0.00 C ATOM 388 O PHE A 47 10.383 8.207 0.415 1.00 0.00 O ATOM 389 CB PHE A 47 9.409 10.915 2.406 1.00 0.00 C ATOM 390 CG PHE A 47 9.903 11.978 1.439 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.833 11.768 0.050 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.476 13.163 1.938 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.253 12.779 -0.832 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.935 14.151 1.052 1.00 0.00 C ATOM 395 CZ PHE A 47 10.797 13.969 -0.329 1.00 0.00 C ATOM 0 H PHE A 47 12.012 9.572 1.364 1.00 0.00 H new ATOM 0 HA PHE A 47 10.076 9.066 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.368 10.693 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.429 11.328 3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.458 10.833 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.563 13.313 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.156 12.639 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.394 15.050 1.436 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.110 14.747 -1.009 1.00 0.00 H new ATOM 405 N THR A 48 8.403 8.212 1.477 1.00 0.00 N ATOM 406 CA THR A 48 7.685 7.189 0.684 1.00 0.00 C ATOM 407 C THR A 48 7.458 7.591 -0.786 1.00 0.00 C ATOM 408 O THR A 48 7.551 8.762 -1.169 1.00 0.00 O ATOM 409 CB THR A 48 6.320 6.885 1.363 1.00 0.00 C ATOM 410 OG1 THR A 48 6.426 7.031 2.768 1.00 0.00 O ATOM 411 CG2 THR A 48 5.733 5.488 1.125 1.00 0.00 C ATOM 0 H THR A 48 7.806 8.614 2.200 1.00 0.00 H new ATOM 0 HA THR A 48 8.318 6.302 0.662 1.00 0.00 H new ATOM 0 HB THR A 48 5.650 7.605 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.559 6.838 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.782 5.399 1.650 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.574 5.337 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.426 4.734 1.499 1.00 0.00 H new ATOM 419 N VAL A 49 7.060 6.609 -1.609 1.00 0.00 N ATOM 420 CA VAL A 49 6.785 6.739 -3.061 1.00 0.00 C ATOM 421 C VAL A 49 5.765 7.849 -3.351 1.00 0.00 C ATOM 422 O VAL A 49 5.966 8.690 -4.229 1.00 0.00 O ATOM 423 CB VAL A 49 6.291 5.396 -3.647 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.989 5.487 -5.147 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.336 4.293 -3.442 1.00 0.00 C ATOM 0 H VAL A 49 6.912 5.657 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 49 7.723 7.013 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 49 5.371 5.157 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.646 4.518 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.213 6.233 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.893 5.775 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.966 3.358 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.263 4.573 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.523 4.162 -2.376 1.00 0.00 H new ATOM 435 N LYS A 50 4.700 7.908 -2.545 1.00 0.00 N ATOM 436 CA LYS A 50 3.653 8.934 -2.668 1.00 0.00 C ATOM 437 C LYS A 50 4.148 10.358 -2.399 1.00 0.00 C ATOM 438 O LYS A 50 3.643 11.302 -2.999 1.00 0.00 O ATOM 439 CB LYS A 50 2.427 8.561 -1.813 1.00 0.00 C ATOM 440 CG LYS A 50 2.734 8.471 -0.308 1.00 0.00 C ATOM 441 CD LYS A 50 1.487 8.124 0.514 1.00 0.00 C ATOM 442 CE LYS A 50 1.876 7.989 1.994 1.00 0.00 C ATOM 443 NZ LYS A 50 0.688 7.723 2.852 1.00 0.00 N ATOM 0 H LYS A 50 4.537 7.246 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 50 3.346 8.946 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.644 9.302 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.034 7.603 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.501 7.715 -0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.142 9.421 0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.731 8.900 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.048 7.193 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.597 7.179 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.368 8.903 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.988 7.638 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.012 8.508 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.233 6.837 2.551 1.00 0.00 H new ATOM 457 N GLU A 51 5.159 10.510 -1.544 1.00 0.00 N ATOM 458 CA GLU A 51 5.770 11.807 -1.250 1.00 0.00 C ATOM 459 C GLU A 51 6.761 12.209 -2.352 1.00 0.00 C ATOM 460 O GLU A 51 6.625 13.303 -2.895 1.00 0.00 O ATOM 461 CB GLU A 51 6.419 11.789 0.144 1.00 0.00 C ATOM 462 CG GLU A 51 5.440 11.510 1.295 1.00 0.00 C ATOM 463 CD GLU A 51 4.332 12.578 1.401 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.562 13.637 2.032 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.214 12.356 0.876 1.00 0.00 O ATOM 0 H GLU A 51 5.579 9.734 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 51 4.991 12.569 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.202 11.031 0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.903 12.750 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.984 10.531 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.991 11.469 2.234 1.00 0.00 H new ATOM 472 N VAL A 52 7.681 11.326 -2.786 1.00 0.00 N ATOM 473 CA VAL A 52 8.581 11.646 -3.930 1.00 0.00 C ATOM 474 C VAL A 52 7.818 12.044 -5.188 1.00 0.00 C ATOM 475 O VAL A 52 8.154 13.031 -5.841 1.00 0.00 O ATOM 476 CB VAL A 52 9.557 10.520 -4.297 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.657 10.308 -3.256 1.00 0.00 C ATOM 478 CG2 VAL A 52 8.927 9.156 -4.518 1.00 0.00 C ATOM 0 H VAL A 52 7.826 10.403 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 52 9.159 12.494 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 52 9.961 10.889 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.311 9.498 -3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.239 11.224 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.206 10.051 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.703 8.434 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.419 8.838 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.206 9.216 -5.333 1.00 0.00 H new ATOM 488 N MET A 53 6.765 11.300 -5.508 1.00 0.00 N ATOM 489 CA MET A 53 5.966 11.560 -6.712 1.00 0.00 C ATOM 490 C MET A 53 5.114 12.842 -6.599 1.00 0.00 C ATOM 491 O MET A 53 4.897 13.516 -7.603 1.00 0.00 O ATOM 492 CB MET A 53 5.167 10.311 -7.115 1.00 0.00 C ATOM 493 CG MET A 53 3.848 10.135 -6.362 1.00 0.00 C ATOM 494 SD MET A 53 2.997 8.567 -6.690 1.00 0.00 S ATOM 495 CE MET A 53 2.714 8.720 -8.477 1.00 0.00 C ATOM 0 H MET A 53 6.440 10.509 -4.952 1.00 0.00 H new ATOM 0 HA MET A 53 6.653 11.767 -7.533 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.958 10.358 -8.184 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.786 9.429 -6.950 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.042 10.211 -5.292 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.182 10.957 -6.625 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.061 7.915 -8.812 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.245 9.680 -8.690 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.667 8.657 -9.003 1.00 0.00 H new ATOM 505 N HIS A 54 4.708 13.231 -5.384 1.00 0.00 N ATOM 506 CA HIS A 54 4.069 14.523 -5.086 1.00 0.00 C ATOM 507 C HIS A 54 5.016 15.693 -5.416 1.00 0.00 C ATOM 508 O HIS A 54 4.719 16.506 -6.297 1.00 0.00 O ATOM 509 CB HIS A 54 3.603 14.520 -3.615 1.00 0.00 C ATOM 510 CG HIS A 54 3.608 15.873 -2.954 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.877 16.987 -3.372 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.457 16.244 -1.952 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.311 18.006 -2.611 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.248 17.587 -1.743 1.00 0.00 N ATOM 0 H HIS A 54 4.817 12.642 -4.558 1.00 0.00 H new ATOM 0 HA HIS A 54 3.191 14.665 -5.717 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.594 14.111 -3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.246 13.849 -3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.155 15.609 -1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.955 19.023 -2.686 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.722 18.165 -1.049 1.00 0.00 H new ATOM 522 N TYR A 55 6.193 15.736 -4.779 1.00 0.00 N ATOM 523 CA TYR A 55 7.246 16.711 -5.061 1.00 0.00 C ATOM 524 C TYR A 55 7.687 16.733 -6.538 1.00 0.00 C ATOM 525 O TYR A 55 7.936 17.813 -7.071 1.00 0.00 O ATOM 526 CB TYR A 55 8.445 16.443 -4.149 1.00 0.00 C ATOM 527 CG TYR A 55 8.160 16.558 -2.662 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.763 17.789 -2.108 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.329 15.443 -1.825 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.508 17.905 -0.728 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.063 15.548 -0.445 1.00 0.00 C ATOM 532 CZ TYR A 55 7.656 16.779 0.110 1.00 0.00 C ATOM 533 OH TYR A 55 7.430 16.878 1.450 1.00 0.00 O ATOM 0 H TYR A 55 6.442 15.080 -4.039 1.00 0.00 H new ATOM 0 HA TYR A 55 6.829 17.698 -4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.822 15.441 -4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.241 17.142 -4.406 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.653 18.653 -2.747 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.663 14.503 -2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.200 18.853 -0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.171 14.682 0.191 1.00 0.00 H new ATOM 0 HH TYR A 55 7.578 16.006 1.872 1.00 0.00 H new ATOM 543 N LEU A 56 7.730 15.588 -7.234 1.00 0.00 N ATOM 544 CA LEU A 56 8.029 15.549 -8.673 1.00 0.00 C ATOM 545 C LEU A 56 6.900 16.118 -9.546 1.00 0.00 C ATOM 546 O LEU A 56 7.196 16.858 -10.481 1.00 0.00 O ATOM 547 CB LEU A 56 8.414 14.126 -9.116 1.00 0.00 C ATOM 548 CG LEU A 56 9.840 13.714 -8.705 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.083 12.254 -9.077 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.917 14.555 -9.397 1.00 0.00 C ATOM 0 H LEU A 56 7.560 14.671 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 56 8.885 16.206 -8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.704 13.418 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.323 14.055 -10.200 1.00 0.00 H new ATOM 0 HG LEU A 56 9.911 13.871 -7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.093 11.967 -8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.362 11.622 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.968 12.129 -10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.903 14.223 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.833 14.437 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.783 15.605 -9.135 1.00 0.00 H new ATOM 562 N GLY A 57 5.626 15.868 -9.227 1.00 0.00 N ATOM 563 CA GLY A 57 4.494 16.497 -9.920 1.00 0.00 C ATOM 564 C GLY A 57 4.578 18.030 -9.892 1.00 0.00 C ATOM 565 O GLY A 57 4.514 18.688 -10.935 1.00 0.00 O ATOM 0 H GLY A 57 5.350 15.226 -8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.468 16.155 -10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.562 16.177 -9.455 1.00 0.00 H new ATOM 569 N GLN A 58 4.850 18.607 -8.713 1.00 0.00 N ATOM 570 CA GLN A 58 5.062 20.054 -8.587 1.00 0.00 C ATOM 571 C GLN A 58 6.401 20.532 -9.182 1.00 0.00 C ATOM 572 O GLN A 58 6.426 21.621 -9.745 1.00 0.00 O ATOM 573 CB GLN A 58 4.772 20.555 -7.161 1.00 0.00 C ATOM 574 CG GLN A 58 5.774 20.094 -6.096 1.00 0.00 C ATOM 575 CD GLN A 58 5.369 20.471 -4.668 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.209 20.684 -4.337 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.307 20.544 -3.748 1.00 0.00 N ATOM 0 H GLN A 58 4.928 18.094 -7.835 1.00 0.00 H new ATOM 0 HA GLN A 58 4.318 20.540 -9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.752 21.645 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.776 20.221 -6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.886 19.012 -6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.749 20.529 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.281 20.371 -3.998 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.060 20.774 -2.785 1.00 0.00 H new ATOM 586 N TYR A 59 7.484 19.737 -9.170 1.00 0.00 N ATOM 587 CA TYR A 59 8.718 20.056 -9.916 1.00 0.00 C ATOM 588 C TYR A 59 8.420 20.236 -11.408 1.00 0.00 C ATOM 589 O TYR A 59 8.735 21.281 -11.969 1.00 0.00 O ATOM 590 CB TYR A 59 9.793 18.971 -9.703 1.00 0.00 C ATOM 591 CG TYR A 59 11.150 19.230 -10.350 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.365 18.939 -11.716 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.231 19.693 -9.573 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.653 19.052 -12.281 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.508 19.833 -10.143 1.00 0.00 C ATOM 596 CZ TYR A 59 13.734 19.480 -11.484 1.00 0.00 C ATOM 597 OH TYR A 59 14.988 19.597 -11.988 1.00 0.00 O ATOM 0 H TYR A 59 7.532 18.862 -8.648 1.00 0.00 H new ATOM 0 HA TYR A 59 9.109 20.997 -9.528 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.943 18.844 -8.631 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.406 18.026 -10.085 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.536 18.627 -12.333 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.077 19.942 -8.533 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.810 18.811 -13.322 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.322 20.215 -9.545 1.00 0.00 H new ATOM 0 HH TYR A 59 15.109 18.954 -12.718 1.00 0.00 H new ATOM 607 N ILE A 60 7.737 19.274 -12.037 1.00 0.00 N ATOM 608 CA ILE A 60 7.326 19.346 -13.451 1.00 0.00 C ATOM 609 C ILE A 60 6.444 20.579 -13.689 1.00 0.00 C ATOM 610 O ILE A 60 6.664 21.314 -14.651 1.00 0.00 O ATOM 611 CB ILE A 60 6.579 18.053 -13.850 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.462 16.792 -13.711 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.050 18.150 -15.294 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.609 15.530 -13.517 1.00 0.00 C ATOM 0 H ILE A 60 7.448 18.411 -11.576 1.00 0.00 H new ATOM 0 HA ILE A 60 8.215 19.439 -14.074 1.00 0.00 H new ATOM 0 HB ILE A 60 5.743 17.955 -13.158 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.083 16.681 -14.600 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.137 16.910 -12.864 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.528 17.229 -15.553 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.362 18.992 -15.374 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.885 18.298 -15.978 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.261 14.661 -13.423 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.008 15.633 -12.614 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.952 15.399 -14.377 1.00 0.00 H new ATOM 626 N MET A 61 5.483 20.847 -12.799 1.00 0.00 N ATOM 627 CA MET A 61 4.590 22.006 -12.919 1.00 0.00 C ATOM 628 C MET A 61 5.318 23.361 -12.753 1.00 0.00 C ATOM 629 O MET A 61 4.960 24.333 -13.418 1.00 0.00 O ATOM 630 CB MET A 61 3.429 21.822 -11.929 1.00 0.00 C ATOM 631 CG MET A 61 2.283 22.826 -12.120 1.00 0.00 C ATOM 632 SD MET A 61 1.582 22.974 -13.794 1.00 0.00 S ATOM 633 CE MET A 61 1.034 21.275 -14.120 1.00 0.00 C ATOM 0 H MET A 61 5.302 20.270 -11.978 1.00 0.00 H new ATOM 0 HA MET A 61 4.196 22.047 -13.934 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.034 20.811 -12.031 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.813 21.913 -10.913 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.477 22.554 -11.438 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.640 23.809 -11.814 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.585 21.221 -15.112 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.889 20.601 -14.072 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.298 20.980 -13.372 1.00 0.00 H new ATOM 643 N VAL A 62 6.383 23.426 -11.942 1.00 0.00 N ATOM 644 CA VAL A 62 7.262 24.608 -11.799 1.00 0.00 C ATOM 645 C VAL A 62 8.180 24.772 -13.013 1.00 0.00 C ATOM 646 O VAL A 62 8.215 25.853 -13.609 1.00 0.00 O ATOM 647 CB VAL A 62 8.057 24.551 -10.483 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.181 25.591 -10.385 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.126 24.782 -9.288 1.00 0.00 C ATOM 0 H VAL A 62 6.668 22.644 -11.352 1.00 0.00 H new ATOM 0 HA VAL A 62 6.627 25.493 -11.757 1.00 0.00 H new ATOM 0 HB VAL A 62 8.506 23.558 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.693 25.485 -9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.892 25.436 -11.196 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.758 26.593 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.703 24.739 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.656 25.761 -9.377 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.356 24.010 -9.272 1.00 0.00 H new ATOM 659 N LYS A 63 8.871 23.697 -13.433 1.00 0.00 N ATOM 660 CA LYS A 63 9.707 23.698 -14.654 1.00 0.00 C ATOM 661 C LYS A 63 8.878 23.866 -15.938 1.00 0.00 C ATOM 662 O LYS A 63 9.442 24.222 -16.972 1.00 0.00 O ATOM 663 CB LYS A 63 10.534 22.396 -14.775 1.00 0.00 C ATOM 664 CG LYS A 63 11.538 22.046 -13.661 1.00 0.00 C ATOM 665 CD LYS A 63 12.280 23.242 -13.053 1.00 0.00 C ATOM 666 CE LYS A 63 13.439 22.803 -12.148 1.00 0.00 C ATOM 667 NZ LYS A 63 14.663 22.425 -12.911 1.00 0.00 N ATOM 0 H LYS A 63 8.868 22.804 -12.940 1.00 0.00 H new ATOM 0 HA LYS A 63 10.373 24.555 -14.551 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.832 21.566 -14.859 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.086 22.442 -15.714 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.006 21.526 -12.865 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.273 21.348 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.665 23.874 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.580 23.848 -12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.682 23.613 -11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.119 21.955 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.033 21.523 -12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.426 22.323 -13.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.385 23.165 -12.798 1.00 0.00 H new ATOM 681 N GLN A 64 7.556 23.657 -15.855 1.00 0.00 N ATOM 682 CA GLN A 64 6.545 23.798 -16.915 1.00 0.00 C ATOM 683 C GLN A 64 6.993 23.208 -18.265 1.00 0.00 C ATOM 684 O GLN A 64 6.807 23.795 -19.333 1.00 0.00 O ATOM 685 CB GLN A 64 5.948 25.218 -16.929 1.00 0.00 C ATOM 686 CG GLN A 64 6.938 26.362 -17.210 1.00 0.00 C ATOM 687 CD GLN A 64 6.392 27.702 -16.727 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.797 28.476 -17.469 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.567 28.024 -15.459 1.00 0.00 N ATOM 0 H GLN A 64 7.132 23.362 -14.976 1.00 0.00 H new ATOM 0 HA GLN A 64 5.694 23.160 -16.677 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.160 25.252 -17.682 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.475 25.402 -15.964 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.887 26.154 -16.715 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.142 26.415 -18.280 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.061 27.386 -14.834 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.209 28.910 -15.104 1.00 0.00 H new ATOM 698 N LEU A 65 7.613 22.023 -18.180 1.00 0.00 N ATOM 699 CA LEU A 65 8.331 21.347 -19.268 1.00 0.00 C ATOM 700 C LEU A 65 7.495 20.226 -19.927 1.00 0.00 C ATOM 701 O LEU A 65 8.023 19.299 -20.534 1.00 0.00 O ATOM 702 CB LEU A 65 9.707 20.918 -18.708 1.00 0.00 C ATOM 703 CG LEU A 65 10.829 20.621 -19.726 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.049 21.751 -20.735 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.144 20.428 -18.967 1.00 0.00 C ATOM 0 H LEU A 65 7.628 21.486 -17.313 1.00 0.00 H new ATOM 0 HA LEU A 65 8.505 22.020 -20.108 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.058 21.704 -18.040 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.559 20.025 -18.100 1.00 0.00 H new ATOM 0 HG LEU A 65 10.523 19.730 -20.275 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.851 21.476 -21.420 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.132 21.919 -21.299 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.321 22.664 -20.205 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.945 20.217 -19.675 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.380 21.336 -18.411 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.044 19.593 -18.273 1.00 0.00 H new ATOM 717 N TYR A 66 6.171 20.298 -19.788 1.00 0.00 N ATOM 718 CA TYR A 66 5.194 19.434 -20.456 1.00 0.00 C ATOM 719 C TYR A 66 4.775 19.989 -21.831 1.00 0.00 C ATOM 720 O TYR A 66 5.029 21.154 -22.152 1.00 0.00 O ATOM 721 CB TYR A 66 3.995 19.221 -19.519 1.00 0.00 C ATOM 722 CG TYR A 66 3.419 20.502 -18.943 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.578 21.315 -19.725 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.773 20.903 -17.641 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.091 22.532 -19.211 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.273 22.110 -17.116 1.00 0.00 C ATOM 727 CZ TYR A 66 2.437 22.933 -17.901 1.00 0.00 C ATOM 728 OH TYR A 66 1.984 24.115 -17.397 1.00 0.00 O ATOM 0 H TYR A 66 5.730 20.989 -19.181 1.00 0.00 H new ATOM 0 HA TYR A 66 5.653 18.467 -20.663 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.211 18.697 -20.065 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.301 18.572 -18.698 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.305 21.005 -20.723 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.428 20.285 -17.045 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.454 23.158 -19.817 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.530 22.407 -16.110 1.00 0.00 H new ATOM 0 HH TYR A 66 2.318 24.230 -16.483 1.00 0.00 H new ATOM 738 N ASP A 67 4.128 19.166 -22.663 1.00 0.00 N ATOM 739 CA ASP A 67 3.654 19.596 -23.986 1.00 0.00 C ATOM 740 C ASP A 67 2.456 20.564 -23.888 1.00 0.00 C ATOM 741 O ASP A 67 1.517 20.345 -23.119 1.00 0.00 O ATOM 742 CB ASP A 67 3.313 18.387 -24.872 1.00 0.00 C ATOM 743 CG ASP A 67 3.282 18.760 -26.365 1.00 0.00 C ATOM 744 OD1 ASP A 67 2.467 19.633 -26.752 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.094 18.209 -27.145 1.00 0.00 O ATOM 0 H ASP A 67 3.919 18.192 -22.443 1.00 0.00 H new ATOM 0 HA ASP A 67 4.472 20.143 -24.455 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.049 17.599 -24.710 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.344 17.984 -24.578 1.00 0.00 H new ATOM 750 N GLN A 68 2.462 21.611 -24.720 1.00 0.00 N ATOM 751 CA GLN A 68 1.360 22.571 -24.884 1.00 0.00 C ATOM 752 C GLN A 68 -0.006 21.901 -25.140 1.00 0.00 C ATOM 753 O GLN A 68 -1.032 22.378 -24.648 1.00 0.00 O ATOM 754 CB GLN A 68 1.637 23.520 -26.074 1.00 0.00 C ATOM 755 CG GLN A 68 3.095 23.983 -26.265 1.00 0.00 C ATOM 756 CD GLN A 68 3.815 23.335 -27.458 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.497 24.008 -28.221 1.00 0.00 O ATOM 758 NE2 GLN A 68 3.738 22.037 -27.695 1.00 0.00 N ATOM 0 H GLN A 68 3.260 21.822 -25.319 1.00 0.00 H new ATOM 0 HA GLN A 68 1.311 23.114 -23.940 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.316 23.022 -26.989 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.012 24.405 -25.956 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.106 25.065 -26.394 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.655 23.764 -25.356 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.181 21.439 -27.084 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.236 21.633 -28.488 1.00 0.00 H new ATOM 767 N GLN A 69 -0.022 20.813 -25.925 1.00 0.00 N ATOM 768 CA GLN A 69 -1.233 20.140 -26.405 1.00 0.00 C ATOM 769 C GLN A 69 -1.618 18.901 -25.583 1.00 0.00 C ATOM 770 O GLN A 69 -2.759 18.439 -25.649 1.00 0.00 O ATOM 771 CB GLN A 69 -1.057 19.777 -27.892 1.00 0.00 C ATOM 772 CG GLN A 69 -0.554 20.914 -28.806 1.00 0.00 C ATOM 773 CD GLN A 69 -1.398 22.192 -28.784 1.00 0.00 C ATOM 774 OE1 GLN A 69 -2.572 22.216 -28.435 1.00 0.00 O ATOM 775 NE2 GLN A 69 -0.829 23.316 -29.173 1.00 0.00 N ATOM 0 H GLN A 69 0.835 20.366 -26.252 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.060 20.839 -26.282 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.358 18.943 -27.963 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.014 19.424 -28.276 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.466 21.167 -28.516 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.512 20.543 -29.830 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.148 23.318 -29.468 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.365 24.184 -29.179 1.00 0.00 H new ATOM 784 N GLU A 70 -0.687 18.377 -24.784 1.00 0.00 N ATOM 785 CA GLU A 70 -0.916 17.279 -23.842 1.00 0.00 C ATOM 786 C GLU A 70 -0.044 17.472 -22.601 1.00 0.00 C ATOM 787 O GLU A 70 1.104 17.035 -22.529 1.00 0.00 O ATOM 788 CB GLU A 70 -0.719 15.884 -24.470 1.00 0.00 C ATOM 789 CG GLU A 70 0.264 15.807 -25.651 1.00 0.00 C ATOM 790 CD GLU A 70 0.273 14.397 -26.275 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.708 14.029 -26.969 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.269 13.651 -26.111 1.00 0.00 O ATOM 0 H GLU A 70 0.276 18.714 -24.774 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.965 17.314 -23.549 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.375 15.203 -23.692 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.689 15.519 -24.807 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.013 16.541 -26.408 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.267 16.064 -25.311 1.00 0.00 H new ATOM 799 N GLN A 71 -0.635 18.098 -21.582 1.00 0.00 N ATOM 800 CA GLN A 71 0.026 18.355 -20.299 1.00 0.00 C ATOM 801 C GLN A 71 0.383 17.054 -19.559 1.00 0.00 C ATOM 802 O GLN A 71 1.195 17.074 -18.631 1.00 0.00 O ATOM 803 CB GLN A 71 -0.876 19.249 -19.436 1.00 0.00 C ATOM 804 CG GLN A 71 -1.161 20.595 -20.136 1.00 0.00 C ATOM 805 CD GLN A 71 -2.115 21.523 -19.385 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.362 21.412 -18.190 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.695 22.484 -20.078 1.00 0.00 N ATOM 0 H GLN A 71 -1.594 18.444 -21.623 1.00 0.00 H new ATOM 0 HA GLN A 71 0.968 18.867 -20.495 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.816 18.735 -19.234 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.398 19.431 -18.473 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.216 21.116 -20.288 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.576 20.393 -21.123 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.497 22.586 -21.073 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.342 23.125 -19.618 1.00 0.00 H new ATOM 816 N HIS A 72 -0.184 15.916 -19.992 1.00 0.00 N ATOM 817 CA HIS A 72 0.155 14.597 -19.465 1.00 0.00 C ATOM 818 C HIS A 72 1.539 14.093 -19.927 1.00 0.00 C ATOM 819 O HIS A 72 2.104 13.201 -19.292 1.00 0.00 O ATOM 820 CB HIS A 72 -0.972 13.582 -19.755 1.00 0.00 C ATOM 821 CG HIS A 72 -0.684 12.635 -20.901 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.372 13.022 -22.204 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.562 11.277 -20.806 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.046 11.899 -22.861 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.161 10.833 -22.049 1.00 0.00 N ATOM 0 H HIS A 72 -0.895 15.892 -20.723 1.00 0.00 H new ATOM 0 HA HIS A 72 0.238 14.700 -18.383 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.157 12.997 -18.854 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.889 14.129 -19.974 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.744 10.671 -19.931 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.265 11.857 -23.895 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.018 9.863 -22.308 1.00 0.00 H new ATOM 833 N MET A 73 2.079 14.657 -21.015 1.00 0.00 N ATOM 834 CA MET A 73 3.373 14.322 -21.612 1.00 0.00 C ATOM 835 C MET A 73 4.443 15.303 -21.120 1.00 0.00 C ATOM 836 O MET A 73 4.271 16.518 -21.221 1.00 0.00 O ATOM 837 CB MET A 73 3.250 14.337 -23.143 1.00 0.00 C ATOM 838 CG MET A 73 4.567 14.016 -23.856 1.00 0.00 C ATOM 839 SD MET A 73 5.269 12.390 -23.465 1.00 0.00 S ATOM 840 CE MET A 73 6.795 12.492 -24.434 1.00 0.00 C ATOM 0 H MET A 73 1.598 15.397 -21.527 1.00 0.00 H new ATOM 0 HA MET A 73 3.676 13.321 -21.307 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.493 13.614 -23.448 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.900 15.318 -23.464 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.405 14.077 -24.932 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.298 14.783 -23.600 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.397 11.600 -24.259 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.549 12.562 -25.494 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.359 13.375 -24.133 1.00 0.00 H new ATOM 850 N VAL A 74 5.556 14.780 -20.607 1.00 0.00 N ATOM 851 CA VAL A 74 6.599 15.523 -19.887 1.00 0.00 C ATOM 852 C VAL A 74 7.956 15.366 -20.576 1.00 0.00 C ATOM 853 O VAL A 74 8.396 14.251 -20.859 1.00 0.00 O ATOM 854 CB VAL A 74 6.684 15.034 -18.424 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.725 15.827 -17.626 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.330 15.169 -17.710 1.00 0.00 C ATOM 0 H VAL A 74 5.768 13.785 -20.683 1.00 0.00 H new ATOM 0 HA VAL A 74 6.334 16.580 -19.895 1.00 0.00 H new ATOM 0 HB VAL A 74 6.976 13.985 -18.468 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.758 15.456 -16.602 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.705 15.707 -18.087 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.453 16.883 -17.621 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.424 14.817 -16.683 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.022 16.215 -17.708 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.582 14.572 -18.232 1.00 0.00 H new ATOM 866 N TYR A 75 8.648 16.483 -20.796 1.00 0.00 N ATOM 867 CA TYR A 75 10.041 16.540 -21.242 1.00 0.00 C ATOM 868 C TYR A 75 10.977 16.918 -20.080 1.00 0.00 C ATOM 869 O TYR A 75 10.546 17.444 -19.053 1.00 0.00 O ATOM 870 CB TYR A 75 10.165 17.500 -22.434 1.00 0.00 C ATOM 871 CG TYR A 75 9.425 16.961 -23.635 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.979 15.871 -24.327 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.154 17.455 -23.987 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.253 15.252 -25.355 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.436 16.854 -25.039 1.00 0.00 C ATOM 876 CZ TYR A 75 7.983 15.746 -25.726 1.00 0.00 C ATOM 877 OH TYR A 75 7.294 15.145 -26.737 1.00 0.00 O ATOM 0 H TYR A 75 8.239 17.408 -20.664 1.00 0.00 H new ATOM 0 HA TYR A 75 10.353 15.551 -21.579 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.765 18.477 -22.163 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.216 17.644 -22.683 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.963 15.510 -24.068 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.731 18.292 -23.452 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.667 14.394 -25.865 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.467 17.240 -25.321 1.00 0.00 H new ATOM 0 HH TYR A 75 6.438 15.604 -26.868 1.00 0.00 H new ATOM 887 N CYS A 76 12.271 16.646 -20.244 1.00 0.00 N ATOM 888 CA CYS A 76 13.352 16.927 -19.288 1.00 0.00 C ATOM 889 C CYS A 76 14.668 17.287 -20.002 1.00 0.00 C ATOM 890 O CYS A 76 15.753 16.977 -19.507 1.00 0.00 O ATOM 891 CB CYS A 76 13.532 15.711 -18.372 1.00 0.00 C ATOM 892 SG CYS A 76 12.280 15.693 -17.060 1.00 0.00 S ATOM 0 H CYS A 76 12.617 16.199 -21.093 1.00 0.00 H new ATOM 0 HA CYS A 76 13.078 17.796 -18.690 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.461 14.795 -18.959 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.528 15.729 -17.929 1.00 0.00 H new ATOM 0 HG CYS A 76 11.238 16.369 -17.445 1.00 0.00 H new ATOM 898 N GLY A 77 14.593 17.881 -21.197 1.00 0.00 N ATOM 899 CA GLY A 77 15.770 18.106 -22.036 1.00 0.00 C ATOM 900 C GLY A 77 16.799 19.023 -21.363 1.00 0.00 C ATOM 901 O GLY A 77 16.525 20.198 -21.107 1.00 0.00 O ATOM 0 H GLY A 77 13.721 18.216 -21.606 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.237 17.149 -22.267 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.459 18.546 -22.983 1.00 0.00 H new ATOM 905 N GLY A 78 17.973 18.468 -21.052 1.00 0.00 N ATOM 906 CA GLY A 78 19.045 19.132 -20.308 1.00 0.00 C ATOM 907 C GLY A 78 18.766 19.364 -18.812 1.00 0.00 C ATOM 908 O GLY A 78 19.496 20.138 -18.188 1.00 0.00 O ATOM 0 H GLY A 78 18.211 17.513 -21.320 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.953 18.536 -20.403 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.246 20.096 -20.776 1.00 0.00 H new ATOM 912 N ASP A 79 17.735 18.743 -18.217 1.00 0.00 N ATOM 913 CA ASP A 79 17.369 18.928 -16.816 1.00 0.00 C ATOM 914 C ASP A 79 17.974 17.812 -15.939 1.00 0.00 C ATOM 915 O ASP A 79 18.090 16.643 -16.337 1.00 0.00 O ATOM 916 CB ASP A 79 15.837 19.042 -16.710 1.00 0.00 C ATOM 917 CG ASP A 79 15.393 19.573 -15.342 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.381 18.771 -14.387 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.088 20.780 -15.195 1.00 0.00 O ATOM 0 H ASP A 79 17.127 18.089 -18.710 1.00 0.00 H new ATOM 0 HA ASP A 79 17.790 19.856 -16.430 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.468 19.704 -17.493 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.388 18.064 -16.882 1.00 0.00 H new ATOM 924 N LEU A 80 18.329 18.169 -14.703 1.00 0.00 N ATOM 925 CA LEU A 80 18.822 17.223 -13.701 1.00 0.00 C ATOM 926 C LEU A 80 17.827 16.080 -13.431 1.00 0.00 C ATOM 927 O LEU A 80 18.244 14.980 -13.081 1.00 0.00 O ATOM 928 CB LEU A 80 19.233 17.963 -12.424 1.00 0.00 C ATOM 929 CG LEU A 80 20.466 18.873 -12.578 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.720 19.595 -11.254 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.740 18.107 -12.946 1.00 0.00 C ATOM 0 H LEU A 80 18.282 19.131 -14.367 1.00 0.00 H new ATOM 0 HA LEU A 80 19.712 16.741 -14.105 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.392 18.567 -12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.435 17.229 -11.644 1.00 0.00 H new ATOM 0 HG LEU A 80 20.245 19.566 -13.390 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.592 20.242 -11.354 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.849 20.197 -10.995 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.901 18.861 -10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.571 18.806 -13.039 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.964 17.379 -12.167 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.593 17.590 -13.894 1.00 0.00 H new ATOM 943 N LEU A 81 16.525 16.307 -13.619 1.00 0.00 N ATOM 944 CA LEU A 81 15.503 15.258 -13.577 1.00 0.00 C ATOM 945 C LEU A 81 15.654 14.239 -14.722 1.00 0.00 C ATOM 946 O LEU A 81 15.514 13.041 -14.491 1.00 0.00 O ATOM 947 CB LEU A 81 14.118 15.926 -13.593 1.00 0.00 C ATOM 948 CG LEU A 81 12.938 14.939 -13.466 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.046 14.047 -12.225 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.616 15.700 -13.368 1.00 0.00 C ATOM 0 H LEU A 81 16.146 17.235 -13.807 1.00 0.00 H new ATOM 0 HA LEU A 81 15.626 14.684 -12.658 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.065 16.646 -12.776 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.009 16.488 -14.521 1.00 0.00 H new ATOM 0 HG LEU A 81 12.972 14.314 -14.358 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.190 13.373 -12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.965 13.464 -12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.059 14.669 -11.330 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.793 14.990 -13.279 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.633 16.348 -12.491 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.477 16.305 -14.264 1.00 0.00 H new ATOM 962 N GLY A 82 16.005 14.678 -15.934 1.00 0.00 N ATOM 963 CA GLY A 82 16.342 13.780 -17.048 1.00 0.00 C ATOM 964 C GLY A 82 17.633 13.006 -16.782 1.00 0.00 C ATOM 965 O GLY A 82 17.692 11.799 -17.024 1.00 0.00 O ATOM 0 H GLY A 82 16.064 15.668 -16.173 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.524 13.078 -17.209 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.449 14.361 -17.964 1.00 0.00 H new ATOM 969 N GLU A 83 18.639 13.659 -16.190 1.00 0.00 N ATOM 970 CA GLU A 83 19.870 13.012 -15.749 1.00 0.00 C ATOM 971 C GLU A 83 19.610 11.968 -14.637 1.00 0.00 C ATOM 972 O GLU A 83 20.213 10.892 -14.647 1.00 0.00 O ATOM 973 CB GLU A 83 20.800 14.152 -15.326 1.00 0.00 C ATOM 974 CG GLU A 83 21.996 13.758 -14.475 1.00 0.00 C ATOM 975 CD GLU A 83 22.985 12.786 -15.156 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.116 12.792 -16.405 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.675 12.024 -14.435 1.00 0.00 O ATOM 0 H GLU A 83 18.617 14.662 -16.004 1.00 0.00 H new ATOM 0 HA GLU A 83 20.333 12.424 -16.542 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.167 14.647 -16.225 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.213 14.887 -14.774 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.535 14.662 -14.190 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.634 13.300 -13.555 1.00 0.00 H new ATOM 984 N LEU A 84 18.673 12.245 -13.720 1.00 0.00 N ATOM 985 CA LEU A 84 18.264 11.347 -12.634 1.00 0.00 C ATOM 986 C LEU A 84 17.466 10.130 -13.138 1.00 0.00 C ATOM 987 O LEU A 84 17.738 8.998 -12.734 1.00 0.00 O ATOM 988 CB LEU A 84 17.459 12.169 -11.607 1.00 0.00 C ATOM 989 CG LEU A 84 16.877 11.375 -10.422 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.960 10.659 -9.614 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.132 12.332 -9.490 1.00 0.00 C ATOM 0 H LEU A 84 18.163 13.129 -13.714 1.00 0.00 H new ATOM 0 HA LEU A 84 19.155 10.932 -12.164 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.104 12.954 -11.212 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.638 12.662 -12.128 1.00 0.00 H new ATOM 0 HG LEU A 84 16.206 10.621 -10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.499 10.114 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.493 9.960 -10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.662 11.392 -9.216 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.719 11.774 -8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.823 13.089 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.323 12.816 -10.037 1.00 0.00 H new ATOM 1003 N LEU A 85 16.490 10.356 -14.024 1.00 0.00 N ATOM 1004 CA LEU A 85 15.632 9.305 -14.590 1.00 0.00 C ATOM 1005 C LEU A 85 16.332 8.481 -15.689 1.00 0.00 C ATOM 1006 O LEU A 85 15.908 7.361 -15.978 1.00 0.00 O ATOM 1007 CB LEU A 85 14.334 9.941 -15.126 1.00 0.00 C ATOM 1008 CG LEU A 85 13.419 10.566 -14.053 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.283 11.316 -14.745 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.787 9.533 -13.121 1.00 0.00 C ATOM 0 H LEU A 85 16.269 11.288 -14.375 1.00 0.00 H new ATOM 0 HA LEU A 85 15.400 8.602 -13.790 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.598 10.712 -15.850 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.770 9.179 -15.663 1.00 0.00 H new ATOM 0 HG LEU A 85 14.048 11.223 -13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.631 11.761 -13.994 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.697 12.101 -15.377 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.709 10.621 -15.358 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.156 10.040 -12.391 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.182 8.839 -13.704 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.572 8.983 -12.602 1.00 0.00 H new ATOM 1022 N GLY A 86 17.387 9.020 -16.314 1.00 0.00 N ATOM 1023 CA GLY A 86 18.142 8.369 -17.396 1.00 0.00 C ATOM 1024 C GLY A 86 17.508 8.514 -18.789 1.00 0.00 C ATOM 1025 O GLY A 86 18.056 8.007 -19.771 1.00 0.00 O ATOM 0 H GLY A 86 17.749 9.943 -16.076 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.148 8.787 -17.423 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.243 7.309 -17.165 1.00 0.00 H new ATOM 1029 N ARG A 87 16.371 9.220 -18.883 1.00 0.00 N ATOM 1030 CA ARG A 87 15.692 9.621 -20.129 1.00 0.00 C ATOM 1031 C ARG A 87 15.042 10.991 -19.993 1.00 0.00 C ATOM 1032 O ARG A 87 14.595 11.378 -18.916 1.00 0.00 O ATOM 1033 CB ARG A 87 14.690 8.554 -20.636 1.00 0.00 C ATOM 1034 CG ARG A 87 13.940 7.759 -19.548 1.00 0.00 C ATOM 1035 CD ARG A 87 12.997 6.705 -20.150 1.00 0.00 C ATOM 1036 NE ARG A 87 11.738 7.301 -20.643 1.00 0.00 N ATOM 1037 CZ ARG A 87 10.584 6.695 -20.857 1.00 0.00 C ATOM 1038 NH1 ARG A 87 10.374 5.423 -20.689 1.00 0.00 N ATOM 1039 NH2 ARG A 87 9.561 7.383 -21.243 1.00 0.00 N ATOM 0 H ARG A 87 15.874 9.544 -18.053 1.00 0.00 H new ATOM 0 HA ARG A 87 16.465 9.698 -20.894 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.953 9.048 -21.269 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.230 7.848 -21.267 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.662 7.268 -18.895 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.366 8.447 -18.928 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.501 6.195 -20.970 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.770 5.950 -19.397 1.00 0.00 H new ATOM 0 HE ARG A 87 11.763 8.301 -20.842 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.131 4.819 -20.370 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.452 5.029 -20.876 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.646 8.390 -21.381 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.668 6.919 -21.409 1.00 0.00 H new ATOM 1053 N GLN A 88 14.989 11.714 -21.112 1.00 0.00 N ATOM 1054 CA GLN A 88 14.561 13.119 -21.175 1.00 0.00 C ATOM 1055 C GLN A 88 13.087 13.291 -21.570 1.00 0.00 C ATOM 1056 O GLN A 88 12.648 14.405 -21.850 1.00 0.00 O ATOM 1057 CB GLN A 88 15.542 13.926 -22.040 1.00 0.00 C ATOM 1058 CG GLN A 88 16.916 13.961 -21.353 1.00 0.00 C ATOM 1059 CD GLN A 88 17.988 14.639 -22.205 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.387 15.770 -21.967 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.497 13.988 -23.231 1.00 0.00 N ATOM 0 H GLN A 88 15.248 11.334 -22.023 1.00 0.00 H new ATOM 0 HA GLN A 88 14.600 13.532 -20.167 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.629 13.475 -23.029 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.169 14.940 -22.184 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.828 14.487 -20.402 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.230 12.942 -21.126 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.177 13.044 -23.445 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.211 14.428 -23.811 1.00 0.00 H new ATOM 1070 N SER A 89 12.312 12.206 -21.563 1.00 0.00 N ATOM 1071 CA SER A 89 10.847 12.263 -21.694 1.00 0.00 C ATOM 1072 C SER A 89 10.129 11.093 -21.011 1.00 0.00 C ATOM 1073 O SER A 89 10.643 9.972 -20.964 1.00 0.00 O ATOM 1074 CB SER A 89 10.421 12.379 -23.162 1.00 0.00 C ATOM 1075 OG SER A 89 10.770 11.216 -23.902 1.00 0.00 O ATOM 0 H SER A 89 12.678 11.259 -21.466 1.00 0.00 H new ATOM 0 HA SER A 89 10.537 13.166 -21.168 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.344 12.537 -23.217 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.894 13.252 -23.611 1.00 0.00 H new ATOM 0 HG SER A 89 10.483 11.322 -24.833 1.00 0.00 H new ATOM 1081 N PHE A 90 8.936 11.353 -20.473 1.00 0.00 N ATOM 1082 CA PHE A 90 8.009 10.386 -19.861 1.00 0.00 C ATOM 1083 C PHE A 90 6.585 10.973 -19.813 1.00 0.00 C ATOM 1084 O PHE A 90 6.375 12.116 -20.213 1.00 0.00 O ATOM 1085 CB PHE A 90 8.510 9.985 -18.460 1.00 0.00 C ATOM 1086 CG PHE A 90 8.566 11.089 -17.419 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.710 11.905 -17.315 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.506 11.259 -16.506 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.802 12.864 -16.292 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.602 12.218 -15.482 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.761 13.006 -15.361 1.00 0.00 C ATOM 0 H PHE A 90 8.564 12.302 -20.449 1.00 0.00 H new ATOM 0 HA PHE A 90 7.974 9.483 -20.471 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.866 9.191 -18.081 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.509 9.562 -18.563 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.518 11.793 -18.023 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.618 10.651 -16.593 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.676 13.494 -16.222 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.785 12.350 -14.788 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.850 13.718 -14.554 1.00 0.00 H new ATOM 1101 N SER A 91 5.584 10.222 -19.350 1.00 0.00 N ATOM 1102 CA SER A 91 4.207 10.724 -19.249 1.00 0.00 C ATOM 1103 C SER A 91 3.433 10.126 -18.072 1.00 0.00 C ATOM 1104 O SER A 91 3.892 9.195 -17.410 1.00 0.00 O ATOM 1105 CB SER A 91 3.473 10.459 -20.568 1.00 0.00 C ATOM 1106 OG SER A 91 3.094 9.098 -20.669 1.00 0.00 O ATOM 0 H SER A 91 5.700 9.258 -19.037 1.00 0.00 H new ATOM 0 HA SER A 91 4.263 11.796 -19.059 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.589 11.093 -20.631 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.116 10.725 -21.407 1.00 0.00 H new ATOM 0 HG SER A 91 2.626 8.951 -21.517 1.00 0.00 H new ATOM 1112 N VAL A 92 2.218 10.627 -17.839 1.00 0.00 N ATOM 1113 CA VAL A 92 1.251 10.035 -16.892 1.00 0.00 C ATOM 1114 C VAL A 92 0.795 8.627 -17.344 1.00 0.00 C ATOM 1115 O VAL A 92 0.373 7.821 -16.513 1.00 0.00 O ATOM 1116 CB VAL A 92 0.067 11.009 -16.691 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -1.036 10.488 -15.763 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.552 12.346 -16.107 1.00 0.00 C ATOM 0 H VAL A 92 1.867 11.464 -18.304 1.00 0.00 H new ATOM 0 HA VAL A 92 1.738 9.890 -15.928 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.355 11.126 -17.689 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.825 11.236 -15.680 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.451 9.567 -16.172 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.618 10.291 -14.776 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.298 13.015 -15.974 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.029 12.170 -15.143 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.269 12.802 -16.789 1.00 0.00 H new ATOM 1128 N LYS A 93 0.932 8.292 -18.641 1.00 0.00 N ATOM 1129 CA LYS A 93 0.659 6.953 -19.207 1.00 0.00 C ATOM 1130 C LYS A 93 1.887 6.023 -19.173 1.00 0.00 C ATOM 1131 O LYS A 93 1.731 4.810 -19.031 1.00 0.00 O ATOM 1132 CB LYS A 93 0.081 7.129 -20.625 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.424 5.807 -21.232 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.105 5.981 -22.599 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.454 6.709 -22.497 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.141 6.780 -23.816 1.00 0.00 N ATOM 0 H LYS A 93 1.244 8.962 -19.345 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.077 6.448 -18.582 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.740 7.845 -20.591 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.847 7.553 -21.275 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.416 5.121 -21.338 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.128 5.344 -20.540 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.444 6.539 -23.262 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.258 5.002 -23.052 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.093 6.193 -21.781 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.296 7.717 -22.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.048 7.278 -23.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.541 7.294 -24.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.314 5.817 -24.169 1.00 0.00 H new ATOM 1150 N ASP A 94 3.097 6.584 -19.236 1.00 0.00 N ATOM 1151 CA ASP A 94 4.388 5.887 -19.116 1.00 0.00 C ATOM 1152 C ASP A 94 5.240 6.429 -17.937 1.00 0.00 C ATOM 1153 O ASP A 94 6.301 7.024 -18.164 1.00 0.00 O ATOM 1154 CB ASP A 94 5.112 5.959 -20.476 1.00 0.00 C ATOM 1155 CG ASP A 94 6.433 5.163 -20.504 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.477 4.032 -19.964 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.425 5.646 -21.105 1.00 0.00 O ATOM 0 H ASP A 94 3.213 7.587 -19.379 1.00 0.00 H new ATOM 0 HA ASP A 94 4.218 4.839 -18.870 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.450 5.579 -21.254 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.319 7.002 -20.716 1.00 0.00 H new ATOM 1162 N PRO A 95 4.799 6.258 -16.670 1.00 0.00 N ATOM 1163 CA PRO A 95 5.498 6.766 -15.482 1.00 0.00 C ATOM 1164 C PRO A 95 6.634 5.850 -14.993 1.00 0.00 C ATOM 1165 O PRO A 95 7.308 6.168 -14.013 1.00 0.00 O ATOM 1166 CB PRO A 95 4.398 6.907 -14.427 1.00 0.00 C ATOM 1167 CG PRO A 95 3.497 5.713 -14.737 1.00 0.00 C ATOM 1168 CD PRO A 95 3.525 5.672 -16.264 1.00 0.00 C ATOM 0 HA PRO A 95 6.004 7.706 -15.702 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.798 6.863 -13.414 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.865 7.853 -14.519 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.878 4.791 -14.298 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.487 5.855 -14.352 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.436 4.648 -16.626 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.689 6.232 -16.683 1.00 0.00 H new ATOM 1176 N SER A 96 6.862 4.710 -15.655 1.00 0.00 N ATOM 1177 CA SER A 96 7.826 3.666 -15.273 1.00 0.00 C ATOM 1178 C SER A 96 9.241 4.151 -14.895 1.00 0.00 C ATOM 1179 O SER A 96 9.800 3.569 -13.964 1.00 0.00 O ATOM 1180 CB SER A 96 7.913 2.617 -16.390 1.00 0.00 C ATOM 1181 OG SER A 96 6.615 2.116 -16.684 1.00 0.00 O ATOM 0 H SER A 96 6.358 4.477 -16.511 1.00 0.00 H new ATOM 0 HA SER A 96 7.430 3.243 -14.350 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.353 3.060 -17.284 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.567 1.800 -16.084 1.00 0.00 H new ATOM 0 HG SER A 96 6.676 1.448 -17.399 1.00 0.00 H new ATOM 1187 N PRO A 97 9.829 5.216 -15.492 1.00 0.00 N ATOM 1188 CA PRO A 97 11.148 5.717 -15.084 1.00 0.00 C ATOM 1189 C PRO A 97 11.242 6.150 -13.612 1.00 0.00 C ATOM 1190 O PRO A 97 12.287 5.966 -12.994 1.00 0.00 O ATOM 1191 CB PRO A 97 11.458 6.882 -16.032 1.00 0.00 C ATOM 1192 CG PRO A 97 10.680 6.506 -17.287 1.00 0.00 C ATOM 1193 CD PRO A 97 9.407 5.906 -16.707 1.00 0.00 C ATOM 0 HA PRO A 97 11.879 4.911 -15.155 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.129 7.837 -15.622 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.526 6.971 -16.229 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.473 7.374 -17.913 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.223 5.790 -17.904 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.672 6.680 -16.485 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.941 5.216 -17.410 1.00 0.00 H new ATOM 1201 N LEU A 98 10.154 6.667 -13.022 1.00 0.00 N ATOM 1202 CA LEU A 98 10.076 7.020 -11.594 1.00 0.00 C ATOM 1203 C LEU A 98 10.200 5.763 -10.718 1.00 0.00 C ATOM 1204 O LEU A 98 11.024 5.687 -9.800 1.00 0.00 O ATOM 1205 CB LEU A 98 8.757 7.804 -11.388 1.00 0.00 C ATOM 1206 CG LEU A 98 8.401 8.192 -9.938 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.632 9.513 -9.912 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.502 7.154 -9.257 1.00 0.00 C ATOM 0 H LEU A 98 9.290 6.855 -13.530 1.00 0.00 H new ATOM 0 HA LEU A 98 10.906 7.656 -11.286 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.807 8.717 -11.982 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.939 7.206 -11.791 1.00 0.00 H new ATOM 0 HG LEU A 98 9.351 8.263 -9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.389 9.772 -8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.246 10.300 -10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.712 9.410 -10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.282 7.475 -8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.571 7.056 -9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.013 6.191 -9.231 1.00 0.00 H new ATOM 1220 N TYR A 99 9.434 4.726 -11.051 1.00 0.00 N ATOM 1221 CA TYR A 99 9.474 3.466 -10.315 1.00 0.00 C ATOM 1222 C TYR A 99 10.798 2.719 -10.529 1.00 0.00 C ATOM 1223 O TYR A 99 11.292 2.092 -9.599 1.00 0.00 O ATOM 1224 CB TYR A 99 8.263 2.606 -10.694 1.00 0.00 C ATOM 1225 CG TYR A 99 6.927 3.258 -10.381 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.411 3.204 -9.071 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.209 3.933 -11.389 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.175 3.808 -8.770 1.00 0.00 C ATOM 1229 CE2 TYR A 99 4.974 4.540 -11.090 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.451 4.479 -9.781 1.00 0.00 C ATOM 1231 OH TYR A 99 3.251 5.062 -9.506 1.00 0.00 O ATOM 0 H TYR A 99 8.775 4.735 -11.830 1.00 0.00 H new ATOM 0 HA TYR A 99 9.420 3.687 -9.249 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.307 2.383 -11.760 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.325 1.654 -10.166 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.965 2.698 -8.295 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.607 3.985 -12.392 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.780 3.758 -7.766 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.425 5.054 -11.865 1.00 0.00 H new ATOM 0 HH TYR A 99 2.896 5.478 -10.319 1.00 0.00 H new ATOM 1241 N ASP A 100 11.435 2.848 -11.695 1.00 0.00 N ATOM 1242 CA ASP A 100 12.771 2.294 -11.959 1.00 0.00 C ATOM 1243 C ASP A 100 13.888 3.018 -11.186 1.00 0.00 C ATOM 1244 O ASP A 100 14.858 2.400 -10.743 1.00 0.00 O ATOM 1245 CB ASP A 100 13.055 2.373 -13.460 1.00 0.00 C ATOM 1246 CG ASP A 100 14.297 1.551 -13.844 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.349 0.342 -13.513 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.225 2.105 -14.479 1.00 0.00 O ATOM 0 H ASP A 100 11.037 3.344 -12.492 1.00 0.00 H new ATOM 0 HA ASP A 100 12.768 1.260 -11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.190 2.008 -14.014 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.203 3.414 -13.749 1.00 0.00 H new ATOM 1253 N MET A 101 13.725 4.325 -10.968 1.00 0.00 N ATOM 1254 CA MET A 101 14.556 5.134 -10.080 1.00 0.00 C ATOM 1255 C MET A 101 14.396 4.661 -8.620 1.00 0.00 C ATOM 1256 O MET A 101 15.382 4.589 -7.886 1.00 0.00 O ATOM 1257 CB MET A 101 14.176 6.616 -10.317 1.00 0.00 C ATOM 1258 CG MET A 101 14.203 7.507 -9.078 1.00 0.00 C ATOM 1259 SD MET A 101 13.448 9.143 -9.309 1.00 0.00 S ATOM 1260 CE MET A 101 11.908 8.886 -8.375 1.00 0.00 C ATOM 0 H MET A 101 12.987 4.864 -11.420 1.00 0.00 H new ATOM 0 HA MET A 101 15.619 5.022 -10.294 1.00 0.00 H new ATOM 0 HB2 MET A 101 14.857 7.034 -11.058 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.175 6.652 -10.747 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.687 6.994 -8.266 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.238 7.640 -8.764 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.246 9.739 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.416 7.980 -8.728 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.138 8.785 -7.314 1.00 0.00 H new ATOM 1270 N LEU A 102 13.171 4.311 -8.200 1.00 0.00 N ATOM 1271 CA LEU A 102 12.858 3.945 -6.813 1.00 0.00 C ATOM 1272 C LEU A 102 13.179 2.488 -6.472 1.00 0.00 C ATOM 1273 O LEU A 102 13.782 2.255 -5.430 1.00 0.00 O ATOM 1274 CB LEU A 102 11.390 4.296 -6.518 1.00 0.00 C ATOM 1275 CG LEU A 102 11.148 5.814 -6.485 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.653 6.107 -6.522 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.742 6.470 -5.236 1.00 0.00 C ATOM 0 H LEU A 102 12.363 4.274 -8.821 1.00 0.00 H new ATOM 0 HA LEU A 102 13.510 4.527 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.751 3.845 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.101 3.863 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 102 11.644 6.231 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.493 7.185 -6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.224 5.697 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.171 5.649 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.545 7.542 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.286 6.036 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.818 6.300 -5.212 1.00 0.00 H new ATOM 1289 N ARG A 103 12.873 1.520 -7.347 1.00 0.00 N ATOM 1290 CA ARG A 103 13.098 0.073 -7.117 1.00 0.00 C ATOM 1291 C ARG A 103 14.553 -0.285 -6.797 1.00 0.00 C ATOM 1292 O ARG A 103 14.836 -1.256 -6.096 1.00 0.00 O ATOM 1293 CB ARG A 103 12.558 -0.734 -8.318 1.00 0.00 C ATOM 1294 CG ARG A 103 13.286 -0.572 -9.664 1.00 0.00 C ATOM 1295 CD ARG A 103 14.513 -1.467 -9.898 1.00 0.00 C ATOM 1296 NE ARG A 103 15.020 -1.290 -11.270 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.006 -1.931 -11.863 1.00 0.00 C ATOM 1298 NH1 ARG A 103 16.708 -2.860 -11.276 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.286 -1.618 -13.091 1.00 0.00 N ATOM 0 H ARG A 103 12.453 1.718 -8.255 1.00 0.00 H new ATOM 0 HA ARG A 103 12.542 -0.200 -6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.577 -1.790 -8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.513 -0.461 -8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.569 -0.762 -10.463 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.600 0.467 -9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.294 -1.220 -9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.247 -2.511 -9.733 1.00 0.00 H new ATOM 0 HE ARG A 103 14.548 -0.581 -11.832 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.503 -3.121 -10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.462 -3.326 -11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.748 -0.894 -13.568 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.044 -2.096 -13.579 1.00 0.00 H new ATOM 1313 N LYS A 104 15.466 0.536 -7.324 1.00 0.00 N ATOM 1314 CA LYS A 104 16.920 0.495 -7.108 1.00 0.00 C ATOM 1315 C LYS A 104 17.330 0.936 -5.690 1.00 0.00 C ATOM 1316 O LYS A 104 18.360 0.480 -5.193 1.00 0.00 O ATOM 1317 CB LYS A 104 17.544 1.358 -8.217 1.00 0.00 C ATOM 1318 CG LYS A 104 19.080 1.401 -8.201 1.00 0.00 C ATOM 1319 CD LYS A 104 19.660 2.013 -9.487 1.00 0.00 C ATOM 1320 CE LYS A 104 19.051 3.386 -9.816 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.726 4.016 -10.986 1.00 0.00 N ATOM 0 H LYS A 104 15.196 1.294 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 104 17.290 -0.528 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.214 0.979 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.163 2.375 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.416 1.981 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.468 0.390 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.740 2.115 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.484 1.333 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.987 3.273 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.137 4.041 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.291 4.940 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.736 4.146 -10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.622 3.402 -11.819 1.00 0.00 H new ATOM 1335 N ASN A 105 16.523 1.777 -5.030 1.00 0.00 N ATOM 1336 CA ASN A 105 16.709 2.185 -3.630 1.00 0.00 C ATOM 1337 C ASN A 105 15.853 1.350 -2.643 1.00 0.00 C ATOM 1338 O ASN A 105 16.340 0.325 -2.157 1.00 0.00 O ATOM 1339 CB ASN A 105 16.576 3.713 -3.501 1.00 0.00 C ATOM 1340 CG ASN A 105 17.206 4.200 -2.205 1.00 0.00 C ATOM 1341 OD1 ASN A 105 16.627 4.111 -1.135 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.422 4.695 -2.248 1.00 0.00 N ATOM 0 H ASN A 105 15.704 2.203 -5.464 1.00 0.00 H new ATOM 0 HA ASN A 105 17.728 1.950 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.058 4.198 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.523 3.995 -3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.878 5.003 -1.389 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.910 4.771 -3.140 1.00 0.00 H new ATOM 1349 N LEU A 106 14.602 1.739 -2.338 1.00 0.00 N ATOM 1350 CA LEU A 106 13.695 0.972 -1.473 1.00 0.00 C ATOM 1351 C LEU A 106 13.012 -0.186 -2.230 1.00 0.00 C ATOM 1352 O LEU A 106 12.719 -0.077 -3.423 1.00 0.00 O ATOM 1353 CB LEU A 106 12.689 1.915 -0.767 1.00 0.00 C ATOM 1354 CG LEU A 106 11.474 2.385 -1.596 1.00 0.00 C ATOM 1355 CD1 LEU A 106 10.489 3.174 -0.740 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.841 3.284 -2.773 1.00 0.00 C ATOM 0 H LEU A 106 14.191 2.604 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 106 14.289 0.496 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.317 1.409 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.231 2.798 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 106 11.035 1.461 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.646 3.490 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.130 2.545 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.987 4.052 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.935 3.573 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.346 4.177 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.504 2.745 -3.449 1.00 0.00 H new ATOM 1368 N VAL A 107 12.690 -1.278 -1.528 1.00 0.00 N ATOM 1369 CA VAL A 107 11.874 -2.375 -2.086 1.00 0.00 C ATOM 1370 C VAL A 107 10.403 -1.939 -2.089 1.00 0.00 C ATOM 1371 O VAL A 107 9.813 -1.724 -1.028 1.00 0.00 O ATOM 1372 CB VAL A 107 12.084 -3.696 -1.316 1.00 0.00 C ATOM 1373 CG1 VAL A 107 11.252 -4.836 -1.921 1.00 0.00 C ATOM 1374 CG2 VAL A 107 13.556 -4.131 -1.353 1.00 0.00 C ATOM 0 H VAL A 107 12.983 -1.431 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 107 12.190 -2.575 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 107 11.770 -3.506 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 107 11.423 -5.752 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.194 -4.576 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.547 -4.991 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 107 13.674 -5.064 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 107 13.866 -4.278 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.175 -3.359 -0.895 1.00 0.00 H new ATOM 1384 N THR A 108 9.822 -1.754 -3.279 1.00 0.00 N ATOM 1385 CA THR A 108 8.472 -1.183 -3.458 1.00 0.00 C ATOM 1386 C THR A 108 7.811 -1.606 -4.784 1.00 0.00 C ATOM 1387 O THR A 108 8.360 -2.406 -5.548 1.00 0.00 O ATOM 1388 CB THR A 108 8.539 0.351 -3.304 1.00 0.00 C ATOM 1389 OG1 THR A 108 7.246 0.886 -3.112 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.202 1.084 -4.472 1.00 0.00 C ATOM 0 H THR A 108 10.277 -1.998 -4.159 1.00 0.00 H new ATOM 0 HA THR A 108 7.827 -1.589 -2.678 1.00 0.00 H new ATOM 0 HB THR A 108 9.170 0.515 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.688 0.232 -2.643 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.203 2.156 -4.275 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.228 0.735 -4.585 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.647 0.884 -5.389 1.00 0.00 H new ATOM 1398 N LEU A 109 6.607 -1.087 -5.036 1.00 0.00 N ATOM 1399 CA LEU A 109 5.767 -1.363 -6.207 1.00 0.00 C ATOM 1400 C LEU A 109 6.351 -0.753 -7.500 1.00 0.00 C ATOM 1401 O LEU A 109 7.122 0.209 -7.462 1.00 0.00 O ATOM 1402 CB LEU A 109 4.333 -0.836 -5.957 1.00 0.00 C ATOM 1403 CG LEU A 109 3.464 -1.529 -4.885 1.00 0.00 C ATOM 1404 CD1 LEU A 109 3.345 -3.038 -5.111 1.00 0.00 C ATOM 1405 CD2 LEU A 109 3.926 -1.287 -3.446 1.00 0.00 C ATOM 0 H LEU A 109 6.167 -0.427 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 109 5.739 -2.443 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.410 0.218 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.793 -0.886 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 109 2.488 -1.059 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.724 -3.475 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.890 -3.225 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.337 -3.490 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.261 -1.809 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.942 -1.661 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.904 -0.219 -3.232 1.00 0.00 H new ATOM 1417 N ALA A 110 5.949 -1.298 -8.652 1.00 0.00 N ATOM 1418 CA ALA A 110 6.321 -0.820 -9.987 1.00 0.00 C ATOM 1419 C ALA A 110 5.240 -1.135 -11.038 1.00 0.00 C ATOM 1420 O ALA A 110 4.229 -1.780 -10.740 1.00 0.00 O ATOM 1421 CB ALA A 110 7.656 -1.455 -10.388 1.00 0.00 C ATOM 0 H ALA A 110 5.335 -2.112 -8.682 1.00 0.00 H new ATOM 0 HA ALA A 110 6.417 0.265 -9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.942 -1.106 -11.380 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.424 -1.172 -9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.553 -2.540 -10.401 1.00 0.00 H new ATOM 1427 N THR A 111 5.453 -0.668 -12.273 1.00 0.00 N ATOM 1428 CA THR A 111 4.480 -0.774 -13.373 1.00 0.00 C ATOM 1429 C THR A 111 5.111 -0.749 -14.769 1.00 0.00 C ATOM 1430 O THR A 111 6.333 -0.892 -14.923 1.00 0.00 O ATOM 1431 CB THR A 111 3.447 0.346 -13.214 1.00 0.00 C ATOM 1432 OG1 THR A 111 2.334 0.082 -14.044 1.00 0.00 O ATOM 1433 CG2 THR A 111 3.971 1.751 -13.534 1.00 0.00 C ATOM 0 H THR A 111 6.317 -0.199 -12.543 1.00 0.00 H new ATOM 0 HA THR A 111 4.004 -1.752 -13.301 1.00 0.00 H new ATOM 0 HB THR A 111 3.179 0.348 -12.158 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.672 0.797 -13.941 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.171 2.478 -13.394 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.800 1.991 -12.868 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.315 1.784 -14.568 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.455 13.289 -12.239 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.718 13.474 -11.134 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.403 11.413 -10.916 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.301 14.984 -13.951 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.284 13.682 -12.399 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.474 12.830 -10.151 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.267 10.819 -11.990 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.729 10.634 -9.803 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.347 14.400 -14.685 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.562 16.014 -14.563 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.588 13.265 -12.668 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.770 12.402 -10.427 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.607 9.469 -11.946 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.407 9.278 -9.769 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.698 14.869 -15.947 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.933 16.486 -15.826 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.331 12.629 -11.678 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.262 8.694 -10.842 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -2.002 15.931 -16.512 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.955 12.125 -11.989 1.00 0.00 CL HETATM 1462 CL2 49H A 200 1.460 8.751 -13.265 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.593 16.212 -18.397 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.399 16.160 -15.534 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.624 17.695 -13.533 1.00 0.00 C HETATM 1466 C1 49H A 200 -1.690 19.764 -11.161 1.00 0.00 C HETATM 1467 N1 49H A 200 -2.963 19.356 -11.114 1.00 0.00 N HETATM 1468 O1 49H A 200 -1.468 20.958 -11.238 1.00 0.00 O HETATM 1469 C2 49H A 200 -3.355 17.949 -11.023 1.00 0.00 C HETATM 1470 N2 49H A 200 -0.936 17.273 -11.358 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.351 17.018 -11.726 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.174 15.052 -11.619 1.00 0.00 N HETATM 1473 O3 49H A 200 -2.322 16.455 -17.748 1.00 0.00 O HETATM 1474 C4 49H A 200 -0.587 18.709 -11.119 1.00 0.00 C HETATM 1475 C5 49H A 200 0.022 16.316 -11.176 1.00 0.00 C HETATM 1476 O5 49H A 200 1.040 16.595 -10.566 1.00 0.00 O HETATM 1477 C6 49H A 200 -1.046 14.455 -12.572 1.00 0.00 C HETATM 1478 O6 49H A 200 0.566 16.524 -13.946 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.821 12.882 -10.960 1.00 0.00 C HETATM 1480 C8 49H A 200 0.303 13.943 -10.782 1.00 0.00 C HETATM 1481 C9 49H A 200 1.673 17.170 -14.621 1.00 0.00 C