USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0.0157 USER MOD Set 1.2: A 115 THR OG1 : rot 56:sc= -0.942! USER MOD Set 2.1: A 56 SER OG : rot 180:sc= -0.497 USER MOD Set 2.2: A 59 ASN : amide:sc= -3.42! C(o=-3.9!,f=-11!) USER MOD Set 3.1: A 17 MET CE :methyl -161:sc= -0.215 (180deg=-0.368) USER MOD Set 3.2: A 109 LYS NZ :NH3+ 173:sc= -2.16! (180deg=-2.26!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00486 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -149:sc=-0.00537 (180deg=-0.121) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -2.34 K(o=-2.3,f=-7.4!) USER MOD Single : A 44 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 1.28 (180deg=0.946) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -3.79! USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.34! C(o=-2.3!,f=-2.4!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 71:sc=-0.00312 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -71:sc= 1.04 USER MOD Single : A 85 MET CE :methyl 153:sc= -0.176 (180deg=-1.09) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.268) USER MOD Single : A 92 LYS NZ :NH3+ 168:sc=-0.000438 (180deg=-0.0335) USER MOD Single : A 94 ASN : amide:sc= -0.128 K(o=-0.13,f=-4.4!) USER MOD Single : A 100 GLN : amide:sc= -0.0873 X(o=-0.087,f=-0.37) USER MOD Single : A 104 SER OG : rot 4:sc= -8.9! USER MOD Single : A 106 TYR OH : rot 30:sc= -0.392 USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= -0.0204 (180deg=-0.371) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 149:sc= -0.187 (180deg=-0.95) USER MOD Single : A 126 LYS NZ :NH3+ 147:sc= -0.292 (180deg=-1.36!) USER MOD Single : A 129 MET CE :methyl 180:sc= -0.0192 (180deg=-0.0192) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.299 0.303 8.833 1.00 0.00 N ATOM 2 CA ALA A 2 -13.258 1.254 9.310 1.00 0.00 C ATOM 3 C ALA A 2 -13.602 2.666 8.827 1.00 0.00 C ATOM 4 O ALA A 2 -14.604 2.881 8.174 1.00 0.00 O ATOM 5 CB ALA A 2 -11.893 0.836 8.752 1.00 0.00 C ATOM 0 HA ALA A 2 -13.222 1.243 10.399 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.129 1.531 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.652 -0.170 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.926 0.849 7.663 1.00 0.00 H new ATOM 11 N ASP A 3 -12.780 3.630 9.144 1.00 0.00 N ATOM 12 CA ASP A 3 -13.057 5.029 8.705 1.00 0.00 C ATOM 13 C ASP A 3 -13.453 5.036 7.226 1.00 0.00 C ATOM 14 O ASP A 3 -12.956 4.256 6.446 1.00 0.00 O ATOM 15 CB ASP A 3 -11.793 5.874 8.892 1.00 0.00 C ATOM 16 CG ASP A 3 -12.108 7.079 9.780 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.562 8.079 9.249 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.892 6.981 10.977 1.00 0.00 O ATOM 0 H ASP A 3 -11.927 3.509 9.689 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.871 5.442 9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.005 5.272 9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.422 6.210 7.924 1.00 0.00 H new ATOM 23 N LYS A 4 -14.344 5.908 6.832 1.00 0.00 N ATOM 24 CA LYS A 4 -14.747 5.956 5.396 1.00 0.00 C ATOM 25 C LYS A 4 -13.841 6.935 4.646 1.00 0.00 C ATOM 26 O LYS A 4 -14.099 7.286 3.513 1.00 0.00 O ATOM 27 CB LYS A 4 -16.203 6.406 5.269 1.00 0.00 C ATOM 28 CG LYS A 4 -16.584 6.571 3.794 1.00 0.00 C ATOM 29 CD LYS A 4 -18.063 6.222 3.609 1.00 0.00 C ATOM 30 CE LYS A 4 -18.509 6.609 2.197 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.991 6.487 2.093 1.00 0.00 N ATOM 0 H LYS A 4 -14.807 6.585 7.438 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.648 4.959 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.859 5.675 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.346 7.349 5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.398 7.595 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.966 5.923 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.218 5.155 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.666 6.748 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.201 7.631 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.028 5.963 1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.294 6.750 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.273 5.505 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.441 7.121 2.784 1.00 0.00 H new ATOM 45 N GLU A 5 -12.794 7.399 5.272 1.00 0.00 N ATOM 46 CA GLU A 5 -11.898 8.372 4.586 1.00 0.00 C ATOM 47 C GLU A 5 -10.444 8.121 4.976 1.00 0.00 C ATOM 48 O GLU A 5 -9.710 9.042 5.276 1.00 0.00 O ATOM 49 CB GLU A 5 -12.291 9.794 4.992 1.00 0.00 C ATOM 50 CG GLU A 5 -12.431 9.870 6.513 1.00 0.00 C ATOM 51 CD GLU A 5 -12.365 11.332 6.960 1.00 0.00 C ATOM 52 OE1 GLU A 5 -11.271 11.869 7.002 1.00 0.00 O ATOM 53 OE2 GLU A 5 -13.410 11.888 7.256 1.00 0.00 O ATOM 0 H GLU A 5 -12.522 7.148 6.222 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.002 8.249 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.537 10.503 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.231 10.073 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.377 9.426 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.637 9.296 6.991 1.00 0.00 H new ATOM 60 N LEU A 6 -10.002 6.894 4.951 1.00 0.00 N ATOM 61 CA LEU A 6 -8.591 6.628 5.292 1.00 0.00 C ATOM 62 C LEU A 6 -7.766 6.997 4.064 1.00 0.00 C ATOM 63 O LEU A 6 -7.896 6.389 3.032 1.00 0.00 O ATOM 64 CB LEU A 6 -8.431 5.148 5.642 1.00 0.00 C ATOM 65 CG LEU A 6 -6.979 4.839 6.005 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.561 5.654 7.225 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.855 3.363 6.342 1.00 0.00 C ATOM 0 H LEU A 6 -10.558 6.074 4.710 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.260 7.209 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.083 4.893 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.740 4.533 4.797 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.338 5.092 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.525 5.427 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.656 6.717 7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.203 5.401 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.821 3.135 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.502 3.127 7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.152 2.767 5.479 1.00 0.00 H new ATOM 79 N LYS A 7 -6.969 8.023 4.140 1.00 0.00 N ATOM 80 CA LYS A 7 -6.200 8.457 2.940 1.00 0.00 C ATOM 81 C LYS A 7 -5.249 7.360 2.439 1.00 0.00 C ATOM 82 O LYS A 7 -4.383 6.877 3.156 1.00 0.00 O ATOM 83 CB LYS A 7 -5.411 9.718 3.282 1.00 0.00 C ATOM 84 CG LYS A 7 -6.376 10.895 3.427 1.00 0.00 C ATOM 85 CD LYS A 7 -5.654 12.069 4.090 1.00 0.00 C ATOM 86 CE LYS A 7 -6.613 13.255 4.213 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.054 14.423 3.476 1.00 0.00 N ATOM 0 H LYS A 7 -6.816 8.581 4.980 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.908 8.662 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.855 9.573 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.680 9.926 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.753 11.192 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.238 10.600 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.292 11.777 5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.782 12.353 3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.590 12.990 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.761 13.510 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.705 15.230 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.131 14.680 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.935 14.176 2.473 1.00 0.00 H new ATOM 101 N PHE A 8 -5.404 6.985 1.187 1.00 0.00 N ATOM 102 CA PHE A 8 -4.529 5.949 0.581 1.00 0.00 C ATOM 103 C PHE A 8 -3.607 6.611 -0.431 1.00 0.00 C ATOM 104 O PHE A 8 -3.954 7.596 -1.047 1.00 0.00 O ATOM 105 CB PHE A 8 -5.375 4.923 -0.196 1.00 0.00 C ATOM 106 CG PHE A 8 -6.216 4.080 0.731 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.413 4.580 1.231 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.792 2.798 1.088 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.190 3.801 2.099 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.566 2.015 1.952 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.765 2.517 2.460 1.00 0.00 C ATOM 0 H PHE A 8 -6.112 7.364 0.559 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.971 5.460 1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.022 5.444 -0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.719 4.278 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.744 5.569 0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.864 2.410 0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.118 4.192 2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.236 1.024 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.363 1.917 3.130 1.00 0.00 H new ATOM 121 N LEU A 9 -2.458 6.043 -0.640 1.00 0.00 N ATOM 122 CA LEU A 9 -1.522 6.591 -1.657 1.00 0.00 C ATOM 123 C LEU A 9 -1.251 5.471 -2.661 1.00 0.00 C ATOM 124 O LEU A 9 -0.570 4.510 -2.366 1.00 0.00 O ATOM 125 CB LEU A 9 -0.228 7.058 -0.985 1.00 0.00 C ATOM 126 CG LEU A 9 0.814 7.412 -2.050 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.236 8.458 -3.003 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.063 7.975 -1.376 1.00 0.00 C ATOM 0 H LEU A 9 -2.123 5.216 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.949 7.457 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.427 7.926 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.157 6.274 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 9 1.077 6.515 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.978 8.709 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.655 8.057 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.028 9.355 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.804 8.227 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.800 8.871 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.478 7.230 -0.697 1.00 0.00 H new ATOM 140 N VAL A 10 -1.815 5.568 -3.833 1.00 0.00 N ATOM 141 CA VAL A 10 -1.628 4.489 -4.842 1.00 0.00 C ATOM 142 C VAL A 10 -0.397 4.772 -5.704 1.00 0.00 C ATOM 143 O VAL A 10 -0.412 5.625 -6.569 1.00 0.00 O ATOM 144 CB VAL A 10 -2.874 4.429 -5.727 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.079 3.002 -6.235 1.00 0.00 C ATOM 146 CG2 VAL A 10 -4.096 4.857 -4.909 1.00 0.00 C ATOM 0 H VAL A 10 -2.398 6.349 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.480 3.536 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.746 5.099 -6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.968 2.964 -6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.209 2.694 -6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.206 2.329 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.986 4.816 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.219 4.185 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.954 5.876 -4.548 1.00 0.00 H new ATOM 156 N VAL A 11 0.670 4.054 -5.469 1.00 0.00 N ATOM 157 CA VAL A 11 1.911 4.260 -6.255 1.00 0.00 C ATOM 158 C VAL A 11 2.080 3.126 -7.265 1.00 0.00 C ATOM 159 O VAL A 11 2.472 2.029 -6.923 1.00 0.00 O ATOM 160 CB VAL A 11 3.108 4.291 -5.303 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.396 4.500 -6.100 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.930 5.446 -4.317 1.00 0.00 C ATOM 0 H VAL A 11 0.730 3.327 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 11 1.849 5.205 -6.794 1.00 0.00 H new ATOM 0 HB VAL A 11 3.169 3.346 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.246 4.522 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.521 3.683 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.340 5.445 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.779 5.476 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.872 6.386 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.012 5.300 -3.748 1.00 0.00 H new ATOM 172 N ASP A 12 1.787 3.385 -8.510 1.00 0.00 N ATOM 173 CA ASP A 12 1.929 2.325 -9.545 1.00 0.00 C ATOM 174 C ASP A 12 2.289 2.969 -10.886 1.00 0.00 C ATOM 175 O ASP A 12 1.893 4.080 -11.178 1.00 0.00 O ATOM 176 CB ASP A 12 0.608 1.567 -9.682 1.00 0.00 C ATOM 177 CG ASP A 12 0.841 0.277 -10.469 1.00 0.00 C ATOM 178 OD1 ASP A 12 1.983 0.008 -10.803 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.128 -0.420 -10.726 1.00 0.00 O ATOM 0 H ASP A 12 1.455 4.286 -8.854 1.00 0.00 H new ATOM 0 HA ASP A 12 2.717 1.632 -9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.205 1.336 -8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.129 2.188 -10.191 1.00 0.00 H new ATOM 184 N ASP A 13 3.034 2.279 -11.705 1.00 0.00 N ATOM 185 CA ASP A 13 3.416 2.854 -13.026 1.00 0.00 C ATOM 186 C ASP A 13 2.303 2.580 -14.040 1.00 0.00 C ATOM 187 O ASP A 13 2.250 3.180 -15.095 1.00 0.00 O ATOM 188 CB ASP A 13 4.715 2.203 -13.507 1.00 0.00 C ATOM 189 CG ASP A 13 5.169 2.866 -14.808 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.465 2.732 -15.796 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.213 3.495 -14.796 1.00 0.00 O ATOM 0 H ASP A 13 3.394 1.343 -11.517 1.00 0.00 H new ATOM 0 HA ASP A 13 3.562 3.930 -12.928 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.488 2.305 -12.746 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.562 1.135 -13.665 1.00 0.00 H new ATOM 196 N PHE A 14 1.414 1.676 -13.730 1.00 0.00 N ATOM 197 CA PHE A 14 0.305 1.360 -14.675 1.00 0.00 C ATOM 198 C PHE A 14 -0.321 2.661 -15.183 1.00 0.00 C ATOM 199 O PHE A 14 -0.019 3.733 -14.698 1.00 0.00 O ATOM 200 CB PHE A 14 -0.756 0.527 -13.954 1.00 0.00 C ATOM 201 CG PHE A 14 -1.013 -0.746 -14.729 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.028 -1.658 -14.938 1.00 0.00 C ATOM 203 CD2 PHE A 14 -2.290 -1.013 -15.239 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.208 -2.837 -15.655 1.00 0.00 C ATOM 205 CE2 PHE A 14 -2.525 -2.192 -15.956 1.00 0.00 C ATOM 206 CZ PHE A 14 -1.484 -3.104 -16.165 1.00 0.00 C ATOM 0 H PHE A 14 1.408 1.142 -12.861 1.00 0.00 H new ATOM 0 HA PHE A 14 0.697 0.795 -15.520 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.422 0.289 -12.944 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.679 1.099 -13.858 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.013 -1.452 -14.546 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.093 -0.309 -15.079 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.595 -3.541 -15.815 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.510 -2.398 -16.348 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.665 -4.013 -16.719 1.00 0.00 H new ATOM 216 N SER A 15 -1.190 2.568 -16.160 1.00 0.00 N ATOM 217 CA SER A 15 -1.843 3.790 -16.719 1.00 0.00 C ATOM 218 C SER A 15 -3.354 3.722 -16.478 1.00 0.00 C ATOM 219 O SER A 15 -4.110 4.517 -17.001 1.00 0.00 O ATOM 220 CB SER A 15 -1.577 3.862 -18.222 1.00 0.00 C ATOM 221 OG SER A 15 -1.132 2.592 -18.682 1.00 0.00 O ATOM 0 H SER A 15 -1.476 1.691 -16.596 1.00 0.00 H new ATOM 0 HA SER A 15 -1.436 4.674 -16.229 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.484 4.155 -18.750 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.825 4.622 -18.434 1.00 0.00 H new ATOM 0 HG SER A 15 -0.962 2.634 -19.646 1.00 0.00 H new ATOM 227 N THR A 16 -3.802 2.783 -15.690 1.00 0.00 N ATOM 228 CA THR A 16 -5.264 2.673 -15.423 1.00 0.00 C ATOM 229 C THR A 16 -5.488 1.968 -14.084 1.00 0.00 C ATOM 230 O THR A 16 -6.532 2.093 -13.474 1.00 0.00 O ATOM 231 CB THR A 16 -5.930 1.868 -16.541 1.00 0.00 C ATOM 232 OG1 THR A 16 -7.288 1.622 -16.200 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.200 0.536 -16.719 1.00 0.00 C ATOM 0 H THR A 16 -3.220 2.089 -15.221 1.00 0.00 H new ATOM 0 HA THR A 16 -5.701 3.671 -15.385 1.00 0.00 H new ATOM 0 HB THR A 16 -5.883 2.433 -17.472 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.717 1.108 -16.916 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.676 -0.036 -17.516 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.158 0.724 -16.979 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.245 -0.031 -15.789 1.00 0.00 H new ATOM 241 N MET A 17 -4.518 1.228 -13.620 1.00 0.00 N ATOM 242 CA MET A 17 -4.682 0.518 -12.321 1.00 0.00 C ATOM 243 C MET A 17 -5.204 1.497 -11.267 1.00 0.00 C ATOM 244 O MET A 17 -6.136 1.208 -10.544 1.00 0.00 O ATOM 245 CB MET A 17 -3.332 -0.045 -11.868 1.00 0.00 C ATOM 246 CG MET A 17 -3.549 -1.010 -10.701 1.00 0.00 C ATOM 247 SD MET A 17 -4.216 -2.573 -11.326 1.00 0.00 S ATOM 248 CE MET A 17 -4.502 -3.356 -9.719 1.00 0.00 C ATOM 0 H MET A 17 -3.621 1.085 -14.084 1.00 0.00 H new ATOM 0 HA MET A 17 -5.392 -0.300 -12.444 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.845 -0.561 -12.695 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.670 0.767 -11.565 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.607 -1.186 -10.181 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.236 -0.573 -9.977 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.592 -4.434 -9.851 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.665 -3.140 -9.055 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.421 -2.966 -9.283 1.00 0.00 H new ATOM 258 N ARG A 18 -4.606 2.653 -11.173 1.00 0.00 N ATOM 259 CA ARG A 18 -5.064 3.650 -10.164 1.00 0.00 C ATOM 260 C ARG A 18 -6.571 3.796 -10.253 1.00 0.00 C ATOM 261 O ARG A 18 -7.252 3.978 -9.262 1.00 0.00 O ATOM 262 CB ARG A 18 -4.353 4.997 -10.428 1.00 0.00 C ATOM 263 CG ARG A 18 -5.295 6.130 -10.893 1.00 0.00 C ATOM 264 CD ARG A 18 -6.050 6.715 -9.696 1.00 0.00 C ATOM 265 NE ARG A 18 -7.408 7.149 -10.131 1.00 0.00 N ATOM 266 CZ ARG A 18 -7.595 8.363 -10.575 1.00 0.00 C ATOM 267 NH1 ARG A 18 -6.570 9.140 -10.800 1.00 0.00 N ATOM 268 NH2 ARG A 18 -8.804 8.801 -10.794 1.00 0.00 N ATOM 0 H ARG A 18 -3.820 2.950 -11.751 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.812 3.318 -9.157 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.846 5.312 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.583 4.846 -11.185 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.719 6.913 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.004 5.746 -11.627 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.130 5.971 -8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.500 7.561 -9.284 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.191 6.498 -10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.624 8.799 -10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.715 10.088 -11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.606 8.195 -10.618 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.948 9.749 -11.141 1.00 0.00 H new ATOM 282 N ARG A 19 -7.102 3.742 -11.434 1.00 0.00 N ATOM 283 CA ARG A 19 -8.555 3.916 -11.565 1.00 0.00 C ATOM 284 C ARG A 19 -9.273 2.658 -11.074 1.00 0.00 C ATOM 285 O ARG A 19 -10.377 2.718 -10.570 1.00 0.00 O ATOM 286 CB ARG A 19 -8.920 4.187 -13.028 1.00 0.00 C ATOM 287 CG ARG A 19 -9.936 5.329 -13.108 1.00 0.00 C ATOM 288 CD ARG A 19 -9.215 6.670 -12.949 1.00 0.00 C ATOM 289 NE ARG A 19 -8.880 7.216 -14.295 1.00 0.00 N ATOM 290 CZ ARG A 19 -7.635 7.284 -14.680 1.00 0.00 C ATOM 291 NH1 ARG A 19 -6.712 7.666 -13.841 1.00 0.00 N ATOM 292 NH2 ARG A 19 -7.313 6.969 -15.905 1.00 0.00 N ATOM 0 H ARG A 19 -6.594 3.586 -12.304 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.868 4.766 -10.959 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.025 4.445 -13.594 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.335 3.287 -13.481 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.459 5.297 -14.064 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.689 5.215 -12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.847 7.373 -12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.306 6.539 -12.361 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.624 7.536 -14.915 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.963 7.912 -12.883 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.739 7.719 -14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.034 6.670 -16.561 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.340 7.022 -16.206 1.00 0.00 H new ATOM 306 N ILE A 20 -8.655 1.518 -11.218 1.00 0.00 N ATOM 307 CA ILE A 20 -9.300 0.256 -10.763 1.00 0.00 C ATOM 308 C ILE A 20 -9.402 0.261 -9.238 1.00 0.00 C ATOM 309 O ILE A 20 -10.464 0.090 -8.674 1.00 0.00 O ATOM 310 CB ILE A 20 -8.452 -0.939 -11.226 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.993 -1.453 -12.560 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.501 -2.072 -10.191 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.980 -2.413 -13.186 1.00 0.00 C ATOM 0 H ILE A 20 -7.729 1.407 -11.632 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.300 0.176 -11.189 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.418 -0.612 -11.339 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.945 -1.961 -12.407 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.183 -0.617 -13.234 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.894 -2.908 -10.538 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.112 -1.712 -9.239 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.532 -2.401 -10.060 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.366 -2.780 -14.137 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.038 -1.890 -13.354 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.813 -3.255 -12.514 1.00 0.00 H new ATOM 325 N VAL A 21 -8.300 0.440 -8.566 1.00 0.00 N ATOM 326 CA VAL A 21 -8.331 0.438 -7.079 1.00 0.00 C ATOM 327 C VAL A 21 -9.272 1.536 -6.577 1.00 0.00 C ATOM 328 O VAL A 21 -9.912 1.391 -5.555 1.00 0.00 O ATOM 329 CB VAL A 21 -6.922 0.663 -6.527 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.463 -0.597 -5.794 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.957 0.953 -7.677 1.00 0.00 C ATOM 0 H VAL A 21 -7.380 0.587 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.696 -0.529 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.933 1.510 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.459 -0.442 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.148 -0.810 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.454 -1.438 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.955 1.113 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.944 0.107 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.283 1.847 -8.209 1.00 0.00 H new ATOM 341 N ARG A 22 -9.374 2.629 -7.285 1.00 0.00 N ATOM 342 CA ARG A 22 -10.290 3.718 -6.835 1.00 0.00 C ATOM 343 C ARG A 22 -11.648 3.113 -6.492 1.00 0.00 C ATOM 344 O ARG A 22 -12.188 3.321 -5.424 1.00 0.00 O ATOM 345 CB ARG A 22 -10.483 4.727 -7.968 1.00 0.00 C ATOM 346 CG ARG A 22 -9.806 6.056 -7.617 1.00 0.00 C ATOM 347 CD ARG A 22 -10.157 7.097 -8.680 1.00 0.00 C ATOM 348 NE ARG A 22 -9.390 8.350 -8.422 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.024 9.476 -8.235 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.449 10.164 -9.259 1.00 0.00 N ATOM 351 NH2 ARG A 22 -10.232 9.915 -7.023 1.00 0.00 N ATOM 0 H ARG A 22 -8.866 2.815 -8.150 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.861 4.215 -5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.064 4.330 -8.893 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.547 4.888 -8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.135 6.397 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.725 5.924 -7.563 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.922 6.712 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.227 7.303 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.371 8.327 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.286 9.822 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.944 11.044 -9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.899 9.378 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.727 10.795 -6.877 1.00 0.00 H new ATOM 365 N ASN A 23 -12.198 2.363 -7.403 1.00 0.00 N ATOM 366 CA ASN A 23 -13.510 1.727 -7.173 1.00 0.00 C ATOM 367 C ASN A 23 -13.381 0.698 -6.062 1.00 0.00 C ATOM 368 O ASN A 23 -14.046 0.764 -5.049 1.00 0.00 O ATOM 369 CB ASN A 23 -13.889 1.013 -8.455 1.00 0.00 C ATOM 370 CG ASN A 23 -15.351 1.297 -8.803 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.670 2.345 -9.328 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.259 0.401 -8.531 1.00 0.00 N ATOM 0 H ASN A 23 -11.781 2.164 -8.312 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.258 2.469 -6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.243 1.343 -9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.736 -0.060 -8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -17.237 0.580 -8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.991 -0.479 -8.090 1.00 0.00 H new ATOM 379 N LEU A 24 -12.522 -0.257 -6.267 1.00 0.00 N ATOM 380 CA LEU A 24 -12.309 -1.330 -5.258 1.00 0.00 C ATOM 381 C LEU A 24 -12.277 -0.708 -3.856 1.00 0.00 C ATOM 382 O LEU A 24 -12.787 -1.266 -2.904 1.00 0.00 O ATOM 383 CB LEU A 24 -10.968 -2.006 -5.571 1.00 0.00 C ATOM 384 CG LEU A 24 -10.883 -3.430 -4.967 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.396 -4.397 -6.048 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.907 -3.493 -3.778 1.00 0.00 C ATOM 0 H LEU A 24 -11.948 -0.342 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.114 -2.064 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.833 -2.061 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.154 -1.396 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.876 -3.702 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.332 -5.403 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.096 -4.392 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.412 -4.086 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.878 -4.509 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.910 -3.204 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.241 -2.811 -2.996 1.00 0.00 H new ATOM 398 N LEU A 25 -11.702 0.457 -3.732 1.00 0.00 N ATOM 399 CA LEU A 25 -11.655 1.140 -2.406 1.00 0.00 C ATOM 400 C LEU A 25 -13.047 1.691 -2.099 1.00 0.00 C ATOM 401 O LEU A 25 -13.542 1.573 -0.995 1.00 0.00 O ATOM 402 CB LEU A 25 -10.641 2.287 -2.464 1.00 0.00 C ATOM 403 CG LEU A 25 -9.281 1.809 -1.950 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.175 2.650 -2.586 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.226 1.966 -0.428 1.00 0.00 C ATOM 0 H LEU A 25 -11.260 0.968 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.354 0.440 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.546 2.648 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.993 3.125 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.141 0.760 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.205 2.311 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.213 2.542 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.317 3.698 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.257 1.626 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.365 3.015 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.016 1.370 0.028 1.00 0.00 H new ATOM 417 N LYS A 26 -13.688 2.278 -3.072 1.00 0.00 N ATOM 418 CA LYS A 26 -15.050 2.818 -2.842 1.00 0.00 C ATOM 419 C LYS A 26 -15.976 1.668 -2.444 1.00 0.00 C ATOM 420 O LYS A 26 -16.892 1.833 -1.663 1.00 0.00 O ATOM 421 CB LYS A 26 -15.568 3.477 -4.122 1.00 0.00 C ATOM 422 CG LYS A 26 -16.981 4.016 -3.886 1.00 0.00 C ATOM 423 CD LYS A 26 -17.215 5.243 -4.769 1.00 0.00 C ATOM 424 CE LYS A 26 -18.717 5.493 -4.909 1.00 0.00 C ATOM 425 NZ LYS A 26 -19.291 4.533 -5.892 1.00 0.00 N ATOM 0 H LYS A 26 -13.324 2.405 -4.016 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.022 3.563 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.904 4.288 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.575 2.754 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.718 3.246 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.110 4.281 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.730 6.116 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.768 5.088 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.207 5.377 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.897 6.517 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -20.096 4.975 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.564 4.274 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.614 3.679 -5.395 1.00 0.00 H new ATOM 439 N GLU A 27 -15.736 0.496 -2.973 1.00 0.00 N ATOM 440 CA GLU A 27 -16.589 -0.666 -2.626 1.00 0.00 C ATOM 441 C GLU A 27 -16.637 -0.806 -1.108 1.00 0.00 C ATOM 442 O GLU A 27 -17.692 -0.899 -0.513 1.00 0.00 O ATOM 443 CB GLU A 27 -16.003 -1.937 -3.243 1.00 0.00 C ATOM 444 CG GLU A 27 -17.136 -2.805 -3.795 1.00 0.00 C ATOM 445 CD GLU A 27 -16.554 -4.082 -4.400 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.912 -4.820 -3.671 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.760 -4.301 -5.583 1.00 0.00 O ATOM 0 H GLU A 27 -14.982 0.299 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.596 -0.515 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.306 -1.679 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.438 -2.491 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.838 -3.054 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.695 -2.254 -4.551 1.00 0.00 H new ATOM 454 N LEU A 28 -15.497 -0.804 -0.475 1.00 0.00 N ATOM 455 CA LEU A 28 -15.477 -0.917 1.008 1.00 0.00 C ATOM 456 C LEU A 28 -16.071 0.360 1.592 1.00 0.00 C ATOM 457 O LEU A 28 -16.947 0.323 2.434 1.00 0.00 O ATOM 458 CB LEU A 28 -14.031 -1.081 1.494 1.00 0.00 C ATOM 459 CG LEU A 28 -13.840 -2.460 2.139 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.738 -2.583 3.373 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.203 -3.553 1.131 1.00 0.00 C ATOM 0 H LEU A 28 -14.582 -0.729 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.056 -1.783 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.343 -0.965 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.791 -0.299 2.214 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.798 -2.575 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.599 -3.564 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.475 -1.808 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.780 -2.464 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.067 -4.532 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.243 -3.437 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.558 -3.470 0.256 1.00 0.00 H new ATOM 473 N GLY A 29 -15.601 1.491 1.140 1.00 0.00 N ATOM 474 CA GLY A 29 -16.126 2.779 1.643 1.00 0.00 C ATOM 475 C GLY A 29 -14.985 3.786 1.801 1.00 0.00 C ATOM 476 O GLY A 29 -14.560 4.075 2.894 1.00 0.00 O ATOM 0 H GLY A 29 -14.867 1.572 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.874 3.170 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.624 2.629 2.601 1.00 0.00 H new ATOM 480 N PHE A 30 -14.486 4.325 0.724 1.00 0.00 N ATOM 481 CA PHE A 30 -13.383 5.324 0.842 1.00 0.00 C ATOM 482 C PHE A 30 -13.472 6.311 -0.330 1.00 0.00 C ATOM 483 O PHE A 30 -13.957 5.970 -1.391 1.00 0.00 O ATOM 484 CB PHE A 30 -12.031 4.612 0.793 1.00 0.00 C ATOM 485 CG PHE A 30 -11.777 3.892 2.088 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.495 4.624 3.238 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.806 2.492 2.131 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.240 3.962 4.441 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.555 1.827 3.336 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.271 2.563 4.493 1.00 0.00 C ATOM 0 H PHE A 30 -14.790 4.120 -0.228 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.478 5.856 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.015 3.903 -0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.237 5.336 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.473 5.703 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.022 1.927 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.019 4.530 5.333 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.580 0.748 3.374 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.076 2.052 5.424 1.00 0.00 H new ATOM 500 N ASN A 31 -13.010 7.528 -0.164 1.00 0.00 N ATOM 501 CA ASN A 31 -13.085 8.498 -1.299 1.00 0.00 C ATOM 502 C ASN A 31 -11.938 9.520 -1.244 1.00 0.00 C ATOM 503 O ASN A 31 -12.101 10.648 -1.665 1.00 0.00 O ATOM 504 CB ASN A 31 -14.422 9.240 -1.236 1.00 0.00 C ATOM 505 CG ASN A 31 -14.942 9.475 -2.656 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.413 8.560 -3.301 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.875 10.671 -3.171 1.00 0.00 N ATOM 0 H ASN A 31 -12.591 7.886 0.694 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.999 7.940 -2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.146 8.660 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.298 10.192 -0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.218 10.839 -4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.479 11.439 -2.628 1.00 0.00 H new ATOM 514 N ASN A 32 -10.789 9.160 -0.725 1.00 0.00 N ATOM 515 CA ASN A 32 -9.673 10.143 -0.649 1.00 0.00 C ATOM 516 C ASN A 32 -8.317 9.453 -0.845 1.00 0.00 C ATOM 517 O ASN A 32 -7.842 8.754 0.025 1.00 0.00 O ATOM 518 CB ASN A 32 -9.703 10.783 0.730 1.00 0.00 C ATOM 519 CG ASN A 32 -10.410 9.849 1.714 1.00 0.00 C ATOM 520 OD1 ASN A 32 -11.467 10.167 2.220 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.865 8.699 2.008 1.00 0.00 N ATOM 0 H ASN A 32 -10.580 8.233 -0.354 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.797 10.887 -1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.687 10.985 1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.221 11.741 0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.327 8.068 2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.977 8.432 1.583 1.00 0.00 H new ATOM 528 N VAL A 33 -7.672 9.668 -1.968 1.00 0.00 N ATOM 529 CA VAL A 33 -6.333 9.038 -2.189 1.00 0.00 C ATOM 530 C VAL A 33 -5.481 9.929 -3.098 1.00 0.00 C ATOM 531 O VAL A 33 -5.922 10.961 -3.565 1.00 0.00 O ATOM 532 CB VAL A 33 -6.488 7.658 -2.853 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.796 7.001 -2.414 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.489 7.804 -4.381 1.00 0.00 C ATOM 0 H VAL A 33 -8.013 10.248 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.848 8.921 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.649 7.034 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.892 6.026 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.795 6.876 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.636 7.632 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.599 6.822 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.319 8.442 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.550 8.252 -4.704 1.00 0.00 H new ATOM 544 N GLU A 34 -4.268 9.515 -3.375 1.00 0.00 N ATOM 545 CA GLU A 34 -3.385 10.306 -4.281 1.00 0.00 C ATOM 546 C GLU A 34 -2.673 9.333 -5.218 1.00 0.00 C ATOM 547 O GLU A 34 -3.035 8.175 -5.300 1.00 0.00 O ATOM 548 CB GLU A 34 -2.365 11.100 -3.461 1.00 0.00 C ATOM 549 CG GLU A 34 -2.897 12.520 -3.237 1.00 0.00 C ATOM 550 CD GLU A 34 -1.886 13.328 -2.427 1.00 0.00 C ATOM 551 OE1 GLU A 34 -0.794 13.542 -2.925 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.221 13.719 -1.320 1.00 0.00 O ATOM 0 H GLU A 34 -3.852 8.658 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.976 11.015 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.188 10.609 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.409 11.135 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.080 13.005 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.851 12.482 -2.711 1.00 0.00 H new ATOM 559 N GLU A 35 -1.679 9.777 -5.933 1.00 0.00 N ATOM 560 CA GLU A 35 -0.984 8.845 -6.865 1.00 0.00 C ATOM 561 C GLU A 35 0.488 9.229 -7.035 1.00 0.00 C ATOM 562 O GLU A 35 0.861 10.382 -6.951 1.00 0.00 O ATOM 563 CB GLU A 35 -1.676 8.887 -8.229 1.00 0.00 C ATOM 564 CG GLU A 35 -1.491 7.546 -8.943 1.00 0.00 C ATOM 565 CD GLU A 35 -1.447 7.776 -10.454 1.00 0.00 C ATOM 566 OE1 GLU A 35 -0.370 8.038 -10.963 1.00 0.00 O ATOM 567 OE2 GLU A 35 -2.491 7.687 -11.077 1.00 0.00 O ATOM 0 H GLU A 35 -1.320 10.732 -5.915 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.032 7.840 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.738 9.099 -8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.260 9.693 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.570 7.068 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.309 6.871 -8.691 1.00 0.00 H new ATOM 574 N ALA A 36 1.320 8.252 -7.293 1.00 0.00 N ATOM 575 CA ALA A 36 2.776 8.516 -7.494 1.00 0.00 C ATOM 576 C ALA A 36 3.263 7.695 -8.688 1.00 0.00 C ATOM 577 O ALA A 36 2.471 7.209 -9.472 1.00 0.00 O ATOM 578 CB ALA A 36 3.552 8.110 -6.243 1.00 0.00 C ATOM 0 H ALA A 36 1.049 7.272 -7.374 1.00 0.00 H new ATOM 0 HA ALA A 36 2.937 9.578 -7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.614 8.304 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.195 8.688 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.402 7.048 -6.050 1.00 0.00 H new ATOM 584 N GLU A 37 4.555 7.547 -8.837 1.00 0.00 N ATOM 585 CA GLU A 37 5.098 6.763 -9.992 1.00 0.00 C ATOM 586 C GLU A 37 6.090 5.695 -9.507 1.00 0.00 C ATOM 587 O GLU A 37 6.545 4.876 -10.280 1.00 0.00 O ATOM 588 CB GLU A 37 5.818 7.710 -10.958 1.00 0.00 C ATOM 589 CG GLU A 37 4.843 8.777 -11.464 1.00 0.00 C ATOM 590 CD GLU A 37 5.629 9.967 -12.017 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.320 9.788 -13.006 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.526 11.039 -11.442 1.00 0.00 O ATOM 0 H GLU A 37 5.259 7.935 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 37 4.266 6.270 -10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.661 8.184 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.223 7.147 -11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.201 8.359 -12.240 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.192 9.103 -10.653 1.00 0.00 H new ATOM 599 N ASP A 38 6.431 5.684 -8.245 1.00 0.00 N ATOM 600 CA ASP A 38 7.393 4.651 -7.752 1.00 0.00 C ATOM 601 C ASP A 38 7.753 4.928 -6.290 1.00 0.00 C ATOM 602 O ASP A 38 7.281 5.873 -5.694 1.00 0.00 O ATOM 603 CB ASP A 38 8.666 4.680 -8.605 1.00 0.00 C ATOM 604 CG ASP A 38 8.674 3.479 -9.552 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.509 2.369 -9.070 1.00 0.00 O ATOM 606 OD2 ASP A 38 8.844 3.689 -10.741 1.00 0.00 O ATOM 0 H ASP A 38 6.090 6.337 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 38 6.927 3.668 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.712 5.607 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.547 4.656 -7.963 1.00 0.00 H new ATOM 611 N GLY A 39 8.587 4.106 -5.707 1.00 0.00 N ATOM 612 CA GLY A 39 8.976 4.316 -4.281 1.00 0.00 C ATOM 613 C GLY A 39 9.538 5.727 -4.101 1.00 0.00 C ATOM 614 O GLY A 39 9.044 6.502 -3.310 1.00 0.00 O ATOM 0 H GLY A 39 9.016 3.298 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.111 4.174 -3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.721 3.577 -3.985 1.00 0.00 H new ATOM 618 N VAL A 40 10.568 6.069 -4.828 1.00 0.00 N ATOM 619 CA VAL A 40 11.152 7.433 -4.691 1.00 0.00 C ATOM 620 C VAL A 40 10.039 8.466 -4.840 1.00 0.00 C ATOM 621 O VAL A 40 10.035 9.495 -4.193 1.00 0.00 O ATOM 622 CB VAL A 40 12.206 7.649 -5.780 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.512 7.891 -7.123 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.063 8.865 -5.424 1.00 0.00 C ATOM 0 H VAL A 40 11.028 5.464 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 40 11.622 7.539 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 40 12.839 6.765 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.263 8.045 -7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.900 7.026 -7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.878 8.775 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.814 9.020 -6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.429 9.748 -5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.558 8.694 -4.468 1.00 0.00 H new ATOM 634 N ASP A 41 9.087 8.188 -5.684 1.00 0.00 N ATOM 635 CA ASP A 41 7.960 9.136 -5.881 1.00 0.00 C ATOM 636 C ASP A 41 7.093 9.139 -4.625 1.00 0.00 C ATOM 637 O ASP A 41 6.646 10.170 -4.162 1.00 0.00 O ATOM 638 CB ASP A 41 7.128 8.667 -7.069 1.00 0.00 C ATOM 639 CG ASP A 41 6.334 9.844 -7.642 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.726 10.559 -6.862 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.349 10.010 -8.850 1.00 0.00 O ATOM 0 H ASP A 41 9.042 7.340 -6.249 1.00 0.00 H new ATOM 0 HA ASP A 41 8.338 10.141 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.778 8.247 -7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.448 7.874 -6.758 1.00 0.00 H new ATOM 646 N ALA A 42 6.854 7.984 -4.073 1.00 0.00 N ATOM 647 CA ALA A 42 6.018 7.899 -2.846 1.00 0.00 C ATOM 648 C ALA A 42 6.750 8.568 -1.685 1.00 0.00 C ATOM 649 O ALA A 42 6.156 9.250 -0.887 1.00 0.00 O ATOM 650 CB ALA A 42 5.759 6.432 -2.498 1.00 0.00 C ATOM 0 H ALA A 42 7.204 7.091 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 42 5.068 8.404 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.146 6.374 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.237 5.949 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.709 5.926 -2.323 1.00 0.00 H new ATOM 656 N LEU A 43 8.035 8.372 -1.581 1.00 0.00 N ATOM 657 CA LEU A 43 8.796 8.994 -0.460 1.00 0.00 C ATOM 658 C LEU A 43 8.699 10.518 -0.547 1.00 0.00 C ATOM 659 O LEU A 43 8.655 11.203 0.456 1.00 0.00 O ATOM 660 CB LEU A 43 10.263 8.574 -0.544 1.00 0.00 C ATOM 661 CG LEU A 43 10.985 8.991 0.739 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.328 7.746 1.560 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.271 9.736 0.382 1.00 0.00 C ATOM 0 H LEU A 43 8.592 7.808 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 43 8.373 8.660 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.337 7.495 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.737 9.039 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 43 10.337 9.644 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.842 8.043 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.411 7.215 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.975 7.092 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.785 10.033 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.919 9.084 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.027 10.624 -0.202 1.00 0.00 H new ATOM 675 N ASN A 44 8.679 11.058 -1.733 1.00 0.00 N ATOM 676 CA ASN A 44 8.599 12.540 -1.873 1.00 0.00 C ATOM 677 C ASN A 44 7.200 13.029 -1.487 1.00 0.00 C ATOM 678 O ASN A 44 7.037 14.104 -0.945 1.00 0.00 O ATOM 679 CB ASN A 44 8.893 12.929 -3.323 1.00 0.00 C ATOM 680 CG ASN A 44 10.405 13.043 -3.524 1.00 0.00 C ATOM 681 OD1 ASN A 44 11.192 12.157 -2.979 1.00 0.00 O flip ATOM 682 ND2 ASN A 44 10.874 13.948 -4.185 1.00 0.00 N flip ATOM 0 H ASN A 44 8.714 10.539 -2.611 1.00 0.00 H new ATOM 0 HA ASN A 44 9.332 13.002 -1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.480 12.183 -4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.411 13.877 -3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.258 14.641 -4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.884 14.015 -4.314 1.00 0.00 H new ATOM 689 N LYS A 45 6.189 12.257 -1.772 1.00 0.00 N ATOM 690 CA LYS A 45 4.801 12.689 -1.431 1.00 0.00 C ATOM 691 C LYS A 45 4.423 12.214 -0.024 1.00 0.00 C ATOM 692 O LYS A 45 3.593 12.809 0.633 1.00 0.00 O ATOM 693 CB LYS A 45 3.823 12.098 -2.448 1.00 0.00 C ATOM 694 CG LYS A 45 3.382 13.189 -3.425 1.00 0.00 C ATOM 695 CD LYS A 45 2.702 12.546 -4.634 1.00 0.00 C ATOM 696 CE LYS A 45 1.883 13.601 -5.381 1.00 0.00 C ATOM 697 NZ LYS A 45 1.517 13.083 -6.729 1.00 0.00 N ATOM 0 H LYS A 45 6.261 11.346 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 45 4.753 13.778 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.296 11.279 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.956 11.682 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.696 13.878 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.244 13.774 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.450 12.114 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.055 11.731 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.983 13.845 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.458 14.522 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.628 13.524 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.273 13.312 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.394 12.051 -6.683 1.00 0.00 H new ATOM 711 N LEU A 46 5.015 11.150 0.443 1.00 0.00 N ATOM 712 CA LEU A 46 4.676 10.646 1.807 1.00 0.00 C ATOM 713 C LEU A 46 4.868 11.780 2.814 1.00 0.00 C ATOM 714 O LEU A 46 4.184 11.863 3.815 1.00 0.00 O ATOM 715 CB LEU A 46 5.613 9.487 2.181 1.00 0.00 C ATOM 716 CG LEU A 46 4.841 8.162 2.314 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.856 8.242 3.483 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.071 7.851 1.024 1.00 0.00 C ATOM 0 H LEU A 46 5.718 10.607 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 46 3.643 10.297 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.388 9.384 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.116 9.713 3.121 1.00 0.00 H new ATOM 0 HG LEU A 46 5.563 7.366 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.315 7.300 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.402 8.432 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.148 9.052 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.532 6.910 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.361 8.653 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.772 7.768 0.193 1.00 0.00 H new ATOM 730 N GLN A 47 5.806 12.653 2.553 1.00 0.00 N ATOM 731 CA GLN A 47 6.060 13.784 3.488 1.00 0.00 C ATOM 732 C GLN A 47 4.753 14.524 3.751 1.00 0.00 C ATOM 733 O GLN A 47 4.605 15.203 4.747 1.00 0.00 O ATOM 734 CB GLN A 47 7.077 14.741 2.864 1.00 0.00 C ATOM 735 CG GLN A 47 8.390 14.668 3.646 1.00 0.00 C ATOM 736 CD GLN A 47 9.402 15.643 3.041 1.00 0.00 C ATOM 737 OE1 GLN A 47 9.590 16.732 3.546 1.00 0.00 O ATOM 738 NE2 GLN A 47 10.068 15.294 1.975 1.00 0.00 N ATOM 0 H GLN A 47 6.408 12.629 1.730 1.00 0.00 H new ATOM 0 HA GLN A 47 6.455 13.401 4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.248 14.478 1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.690 15.760 2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.215 14.913 4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.786 13.653 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.910 14.380 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.747 15.935 1.565 1.00 0.00 H new ATOM 747 N ALA A 48 3.804 14.396 2.864 1.00 0.00 N ATOM 748 CA ALA A 48 2.502 15.087 3.059 1.00 0.00 C ATOM 749 C ALA A 48 2.046 14.878 4.503 1.00 0.00 C ATOM 750 O ALA A 48 1.865 15.820 5.250 1.00 0.00 O ATOM 751 CB ALA A 48 1.460 14.503 2.101 1.00 0.00 C ATOM 0 H ALA A 48 3.876 13.841 2.011 1.00 0.00 H new ATOM 0 HA ALA A 48 2.614 16.152 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.507 15.011 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.793 14.643 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.338 13.439 2.301 1.00 0.00 H new ATOM 757 N GLY A 49 1.871 13.647 4.904 1.00 0.00 N ATOM 758 CA GLY A 49 1.442 13.373 6.305 1.00 0.00 C ATOM 759 C GLY A 49 -0.072 13.201 6.351 1.00 0.00 C ATOM 760 O GLY A 49 -0.759 13.843 7.121 1.00 0.00 O ATOM 0 H GLY A 49 2.007 12.820 4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.932 12.473 6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.745 14.193 6.956 1.00 0.00 H new ATOM 764 N GLY A 50 -0.598 12.338 5.532 1.00 0.00 N ATOM 765 CA GLY A 50 -2.067 12.122 5.526 1.00 0.00 C ATOM 766 C GLY A 50 -2.366 10.674 5.151 1.00 0.00 C ATOM 767 O GLY A 50 -3.188 10.021 5.761 1.00 0.00 O ATOM 0 H GLY A 50 -0.073 11.772 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.483 12.348 6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.542 12.799 4.816 1.00 0.00 H new ATOM 771 N TYR A 51 -1.709 10.169 4.147 1.00 0.00 N ATOM 772 CA TYR A 51 -1.958 8.768 3.722 1.00 0.00 C ATOM 773 C TYR A 51 -1.901 7.829 4.914 1.00 0.00 C ATOM 774 O TYR A 51 -0.861 7.299 5.252 1.00 0.00 O ATOM 775 CB TYR A 51 -0.906 8.330 2.708 1.00 0.00 C ATOM 776 CG TYR A 51 -0.649 9.435 1.720 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.713 10.051 1.051 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.662 9.839 1.471 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.455 11.075 0.134 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.921 10.860 0.557 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.136 11.481 -0.112 1.00 0.00 C ATOM 782 OH TYR A 51 0.123 12.489 -1.014 1.00 0.00 O ATOM 0 H TYR A 51 -1.008 10.669 3.601 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.950 8.726 3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.019 8.069 3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.244 7.435 2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.729 9.737 1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.480 9.359 1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.273 11.553 -0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.938 11.170 0.367 1.00 0.00 H new ATOM 0 HH TYR A 51 1.089 12.644 -1.062 1.00 0.00 H new ATOM 792 N GLY A 52 -3.016 7.570 5.529 1.00 0.00 N ATOM 793 CA GLY A 52 -3.004 6.612 6.657 1.00 0.00 C ATOM 794 C GLY A 52 -2.911 5.216 6.054 1.00 0.00 C ATOM 795 O GLY A 52 -3.185 4.226 6.693 1.00 0.00 O ATOM 0 H GLY A 52 -3.924 7.976 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.158 6.804 7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.907 6.713 7.259 1.00 0.00 H new ATOM 799 N PHE A 53 -2.546 5.149 4.797 1.00 0.00 N ATOM 800 CA PHE A 53 -2.437 3.840 4.101 1.00 0.00 C ATOM 801 C PHE A 53 -1.719 4.055 2.765 1.00 0.00 C ATOM 802 O PHE A 53 -1.775 5.128 2.193 1.00 0.00 O ATOM 803 CB PHE A 53 -3.837 3.334 3.835 1.00 0.00 C ATOM 804 CG PHE A 53 -3.938 1.852 4.077 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.292 1.377 5.340 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.744 0.955 3.025 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.440 0.009 5.553 1.00 0.00 C ATOM 808 CE2 PHE A 53 -3.904 -0.409 3.230 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.252 -0.890 4.497 1.00 0.00 C ATOM 0 H PHE A 53 -2.317 5.959 4.221 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.883 3.123 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.544 3.859 4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.117 3.556 2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.451 2.070 6.153 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.468 1.323 2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.700 -0.359 6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.760 -1.099 2.411 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.375 -1.951 4.659 1.00 0.00 H new ATOM 819 N VAL A 54 -1.043 3.058 2.258 1.00 0.00 N ATOM 820 CA VAL A 54 -0.326 3.241 0.960 1.00 0.00 C ATOM 821 C VAL A 54 -0.346 1.943 0.140 1.00 0.00 C ATOM 822 O VAL A 54 0.346 0.992 0.447 1.00 0.00 O ATOM 823 CB VAL A 54 1.125 3.634 1.246 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.827 4.032 -0.055 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.157 4.813 2.223 1.00 0.00 C ATOM 0 H VAL A 54 -0.956 2.134 2.680 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.826 4.022 0.387 1.00 0.00 H new ATOM 0 HB VAL A 54 1.642 2.781 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.859 4.310 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.814 3.190 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.308 4.879 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.192 5.090 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.632 5.662 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.670 4.526 3.155 1.00 0.00 H new ATOM 835 N ILE A 55 -1.114 1.913 -0.917 1.00 0.00 N ATOM 836 CA ILE A 55 -1.161 0.697 -1.786 1.00 0.00 C ATOM 837 C ILE A 55 -0.094 0.858 -2.876 1.00 0.00 C ATOM 838 O ILE A 55 -0.353 1.405 -3.933 1.00 0.00 O ATOM 839 CB ILE A 55 -2.543 0.597 -2.437 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.611 0.933 -1.397 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.767 -0.822 -2.965 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.998 0.610 -1.954 1.00 0.00 C ATOM 0 H ILE A 55 -1.714 2.681 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.976 -0.203 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.606 1.299 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.434 0.364 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.553 1.988 -1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.752 -0.887 -3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.003 -1.060 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.706 -1.531 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.755 0.852 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.175 1.199 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.054 -0.451 -2.197 1.00 0.00 H new ATOM 854 N SER A 56 1.111 0.417 -2.619 1.00 0.00 N ATOM 855 CA SER A 56 2.206 0.570 -3.629 1.00 0.00 C ATOM 856 C SER A 56 2.503 -0.770 -4.302 1.00 0.00 C ATOM 857 O SER A 56 2.184 -1.823 -3.787 1.00 0.00 O ATOM 858 CB SER A 56 3.469 1.063 -2.924 1.00 0.00 C ATOM 859 OG SER A 56 4.122 -0.041 -2.311 1.00 0.00 O ATOM 0 H SER A 56 1.386 -0.044 -1.752 1.00 0.00 H new ATOM 0 HA SER A 56 1.890 1.286 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.136 1.544 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.213 1.812 -2.174 1.00 0.00 H new ATOM 0 HG SER A 56 4.934 0.269 -1.859 1.00 0.00 H new ATOM 865 N ASP A 57 3.131 -0.735 -5.448 1.00 0.00 N ATOM 866 CA ASP A 57 3.471 -2.001 -6.156 1.00 0.00 C ATOM 867 C ASP A 57 4.620 -2.684 -5.415 1.00 0.00 C ATOM 868 O ASP A 57 4.411 -3.392 -4.450 1.00 0.00 O ATOM 869 CB ASP A 57 3.897 -1.691 -7.593 1.00 0.00 C ATOM 870 CG ASP A 57 4.814 -0.466 -7.609 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.334 0.614 -7.306 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.981 -0.628 -7.928 1.00 0.00 O ATOM 0 H ASP A 57 3.423 0.119 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 57 2.601 -2.658 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.414 -2.549 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.018 -1.507 -8.211 1.00 0.00 H new ATOM 877 N TRP A 58 5.834 -2.463 -5.843 1.00 0.00 N ATOM 878 CA TRP A 58 6.989 -3.087 -5.143 1.00 0.00 C ATOM 879 C TRP A 58 8.201 -2.167 -5.277 1.00 0.00 C ATOM 880 O TRP A 58 9.230 -2.384 -4.671 1.00 0.00 O ATOM 881 CB TRP A 58 7.268 -4.472 -5.744 1.00 0.00 C ATOM 882 CG TRP A 58 8.489 -5.136 -5.147 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.371 -5.860 -5.875 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.974 -5.197 -3.754 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.354 -6.355 -5.041 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.158 -5.979 -3.732 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.527 -4.668 -2.523 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.855 -6.223 -2.547 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.229 -4.914 -1.337 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.387 -5.689 -1.349 1.00 0.00 C ATOM 0 H TRP A 58 6.073 -1.879 -6.644 1.00 0.00 H new ATOM 0 HA TRP A 58 6.767 -3.220 -4.084 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.400 -5.112 -5.588 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.403 -4.375 -6.821 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.315 -6.025 -6.941 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.134 -6.931 -5.358 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.631 -4.065 -2.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.753 -6.823 -2.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.870 -4.500 -0.406 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.922 -5.876 -0.429 1.00 0.00 H new ATOM 901 N ASN A 59 8.060 -1.123 -6.052 1.00 0.00 N ATOM 902 CA ASN A 59 9.170 -0.142 -6.226 1.00 0.00 C ATOM 903 C ASN A 59 10.508 -0.857 -6.406 1.00 0.00 C ATOM 904 O ASN A 59 11.126 -1.286 -5.452 1.00 0.00 O ATOM 905 CB ASN A 59 9.237 0.758 -4.996 1.00 0.00 C ATOM 906 CG ASN A 59 7.822 1.163 -4.582 1.00 0.00 C ATOM 907 OD1 ASN A 59 7.303 2.159 -5.045 1.00 0.00 O ATOM 908 ND2 ASN A 59 7.168 0.424 -3.728 1.00 0.00 N ATOM 0 H ASN A 59 7.213 -0.907 -6.577 1.00 0.00 H new ATOM 0 HA ASN A 59 8.975 0.452 -7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.731 0.236 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.832 1.645 -5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.221 0.683 -3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.603 -0.412 -3.339 1.00 0.00 H new ATOM 915 N MET A 60 10.970 -0.955 -7.626 1.00 0.00 N ATOM 916 CA MET A 60 12.280 -1.612 -7.889 1.00 0.00 C ATOM 917 C MET A 60 13.242 -0.727 -8.730 1.00 0.00 C ATOM 918 O MET A 60 14.165 -1.268 -9.309 1.00 0.00 O ATOM 919 CB MET A 60 12.024 -2.916 -8.648 1.00 0.00 C ATOM 920 CG MET A 60 13.023 -3.981 -8.199 1.00 0.00 C ATOM 921 SD MET A 60 13.093 -5.298 -9.438 1.00 0.00 S ATOM 922 CE MET A 60 14.788 -4.997 -9.996 1.00 0.00 C ATOM 0 H MET A 60 10.491 -0.605 -8.455 1.00 0.00 H new ATOM 0 HA MET A 60 12.759 -1.789 -6.926 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.006 -3.260 -8.466 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.116 -2.747 -9.721 1.00 0.00 H new ATOM 0 HG2 MET A 60 14.010 -3.537 -8.067 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.726 -4.390 -7.233 1.00 0.00 H new ATOM 0 HE1 MET A 60 15.046 -5.712 -10.777 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.867 -3.984 -10.391 1.00 0.00 H new ATOM 0 HE3 MET A 60 15.473 -5.113 -9.157 1.00 0.00 H new ATOM 932 N PRO A 61 13.061 0.592 -8.787 1.00 0.00 N ATOM 933 CA PRO A 61 13.990 1.437 -9.564 1.00 0.00 C ATOM 934 C PRO A 61 15.406 1.260 -9.011 1.00 0.00 C ATOM 935 O PRO A 61 16.287 0.743 -9.670 1.00 0.00 O ATOM 936 CB PRO A 61 13.511 2.878 -9.339 1.00 0.00 C ATOM 937 CG PRO A 61 12.287 2.823 -8.396 1.00 0.00 C ATOM 938 CD PRO A 61 11.974 1.347 -8.124 1.00 0.00 C ATOM 0 HA PRO A 61 14.006 1.180 -10.623 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.306 3.481 -8.900 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.243 3.345 -10.287 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.498 3.347 -7.464 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.430 3.318 -8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.947 1.141 -7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.000 1.070 -8.527 1.00 0.00 H new ATOM 946 N ASN A 62 15.619 1.680 -7.795 1.00 0.00 N ATOM 947 CA ASN A 62 16.960 1.540 -7.164 1.00 0.00 C ATOM 948 C ASN A 62 16.772 1.434 -5.649 1.00 0.00 C ATOM 949 O ASN A 62 15.886 0.752 -5.175 1.00 0.00 O ATOM 950 CB ASN A 62 17.815 2.765 -7.499 1.00 0.00 C ATOM 951 CG ASN A 62 17.494 3.238 -8.917 1.00 0.00 C ATOM 952 OD1 ASN A 62 18.027 2.717 -9.878 1.00 0.00 O ATOM 953 ND2 ASN A 62 16.641 4.208 -9.091 1.00 0.00 N ATOM 0 H ASN A 62 14.912 2.119 -7.205 1.00 0.00 H new ATOM 0 HA ASN A 62 17.463 0.649 -7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.620 3.565 -6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.873 2.516 -7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.420 4.530 -10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.194 4.645 -8.285 1.00 0.00 H new ATOM 960 N MET A 63 17.581 2.111 -4.882 1.00 0.00 N ATOM 961 CA MET A 63 17.416 2.044 -3.403 1.00 0.00 C ATOM 962 C MET A 63 16.013 2.546 -3.043 1.00 0.00 C ATOM 963 O MET A 63 15.805 3.717 -2.791 1.00 0.00 O ATOM 964 CB MET A 63 18.472 2.924 -2.729 1.00 0.00 C ATOM 965 CG MET A 63 19.856 2.303 -2.932 1.00 0.00 C ATOM 966 SD MET A 63 20.416 1.551 -1.383 1.00 0.00 S ATOM 967 CE MET A 63 21.832 0.654 -2.067 1.00 0.00 C ATOM 0 H MET A 63 18.343 2.703 -5.212 1.00 0.00 H new ATOM 0 HA MET A 63 17.540 1.017 -3.059 1.00 0.00 H new ATOM 0 HB2 MET A 63 18.447 3.929 -3.151 1.00 0.00 H new ATOM 0 HB3 MET A 63 18.257 3.019 -1.665 1.00 0.00 H new ATOM 0 HG2 MET A 63 19.816 1.551 -3.720 1.00 0.00 H new ATOM 0 HG3 MET A 63 20.564 3.066 -3.255 1.00 0.00 H new ATOM 0 HE1 MET A 63 22.336 0.108 -1.270 1.00 0.00 H new ATOM 0 HE2 MET A 63 21.486 -0.048 -2.826 1.00 0.00 H new ATOM 0 HE3 MET A 63 22.528 1.362 -2.518 1.00 0.00 H new ATOM 977 N ASP A 64 15.047 1.666 -3.026 1.00 0.00 N ATOM 978 CA ASP A 64 13.654 2.083 -2.694 1.00 0.00 C ATOM 979 C ASP A 64 12.843 0.857 -2.277 1.00 0.00 C ATOM 980 O ASP A 64 13.382 -0.205 -2.041 1.00 0.00 O ATOM 981 CB ASP A 64 12.998 2.722 -3.923 1.00 0.00 C ATOM 982 CG ASP A 64 13.593 4.112 -4.153 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.120 5.048 -3.529 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.513 4.218 -4.947 1.00 0.00 O ATOM 0 H ASP A 64 15.164 0.673 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 64 13.681 2.805 -1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.158 2.096 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.920 2.796 -3.777 1.00 0.00 H new ATOM 989 N GLY A 65 11.548 0.998 -2.189 1.00 0.00 N ATOM 990 CA GLY A 65 10.694 -0.157 -1.789 1.00 0.00 C ATOM 991 C GLY A 65 11.124 -0.664 -0.411 1.00 0.00 C ATOM 992 O GLY A 65 10.501 -0.370 0.590 1.00 0.00 O ATOM 0 H GLY A 65 11.044 1.865 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.647 0.144 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.780 -0.957 -2.524 1.00 0.00 H new ATOM 996 N LEU A 66 12.181 -1.427 -0.348 1.00 0.00 N ATOM 997 CA LEU A 66 12.645 -1.951 0.968 1.00 0.00 C ATOM 998 C LEU A 66 12.747 -0.794 1.967 1.00 0.00 C ATOM 999 O LEU A 66 11.985 -0.701 2.909 1.00 0.00 O ATOM 1000 CB LEU A 66 14.029 -2.600 0.803 1.00 0.00 C ATOM 1001 CG LEU A 66 14.051 -4.004 1.421 1.00 0.00 C ATOM 1002 CD1 LEU A 66 13.518 -3.965 2.858 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.183 -4.936 0.581 1.00 0.00 C ATOM 0 H LEU A 66 12.743 -1.710 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 66 11.935 -2.693 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.283 -2.660 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.787 -1.977 1.278 1.00 0.00 H new ATOM 0 HG LEU A 66 15.078 -4.368 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.540 -4.969 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.141 -3.303 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.493 -3.595 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.195 -5.935 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.160 -4.561 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.573 -4.978 -0.436 1.00 0.00 H new ATOM 1015 N GLU A 67 13.689 0.086 1.764 1.00 0.00 N ATOM 1016 CA GLU A 67 13.860 1.238 2.693 1.00 0.00 C ATOM 1017 C GLU A 67 12.595 2.097 2.689 1.00 0.00 C ATOM 1018 O GLU A 67 12.439 2.996 3.491 1.00 0.00 O ATOM 1019 CB GLU A 67 15.047 2.082 2.219 1.00 0.00 C ATOM 1020 CG GLU A 67 15.486 3.029 3.339 1.00 0.00 C ATOM 1021 CD GLU A 67 15.732 4.424 2.760 1.00 0.00 C ATOM 1022 OE1 GLU A 67 14.774 5.036 2.317 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.873 4.853 2.767 1.00 0.00 O ATOM 0 H GLU A 67 14.352 0.056 0.989 1.00 0.00 H new ATOM 0 HA GLU A 67 14.040 0.871 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.875 1.434 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.769 2.654 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.719 3.075 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.394 2.654 3.812 1.00 0.00 H new ATOM 1030 N LEU A 68 11.696 1.831 1.787 1.00 0.00 N ATOM 1031 CA LEU A 68 10.442 2.633 1.714 1.00 0.00 C ATOM 1032 C LEU A 68 9.536 2.295 2.899 1.00 0.00 C ATOM 1033 O LEU A 68 9.078 3.169 3.609 1.00 0.00 O ATOM 1034 CB LEU A 68 9.728 2.299 0.404 1.00 0.00 C ATOM 1035 CG LEU A 68 9.082 3.552 -0.186 1.00 0.00 C ATOM 1036 CD1 LEU A 68 10.120 4.309 -1.020 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.909 3.139 -1.085 1.00 0.00 C ATOM 0 H LEU A 68 11.774 1.089 1.092 1.00 0.00 H new ATOM 0 HA LEU A 68 10.679 3.696 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.439 1.879 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.967 1.539 0.581 1.00 0.00 H new ATOM 0 HG LEU A 68 8.720 4.194 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.664 5.204 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.959 4.595 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.477 3.668 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.444 4.029 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.275 2.502 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.174 2.592 -0.495 1.00 0.00 H new ATOM 1049 N LEU A 69 9.267 1.039 3.116 1.00 0.00 N ATOM 1050 CA LEU A 69 8.384 0.658 4.253 1.00 0.00 C ATOM 1051 C LEU A 69 9.189 0.694 5.554 1.00 0.00 C ATOM 1052 O LEU A 69 8.653 0.912 6.622 1.00 0.00 O ATOM 1053 CB LEU A 69 7.782 -0.732 3.979 1.00 0.00 C ATOM 1054 CG LEU A 69 8.374 -1.822 4.899 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.814 -1.702 6.332 1.00 0.00 C ATOM 1056 CD2 LEU A 69 8.003 -3.206 4.340 1.00 0.00 C ATOM 0 H LEU A 69 9.619 0.261 2.557 1.00 0.00 H new ATOM 0 HA LEU A 69 7.560 1.364 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.702 -0.691 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.960 -1.003 2.938 1.00 0.00 H new ATOM 0 HG LEU A 69 9.456 -1.695 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.247 -2.482 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.068 -0.724 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.730 -1.815 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.417 -3.982 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.918 -3.305 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.410 -3.313 3.335 1.00 0.00 H new ATOM 1068 N LYS A 70 10.477 0.496 5.468 1.00 0.00 N ATOM 1069 CA LYS A 70 11.321 0.529 6.695 1.00 0.00 C ATOM 1070 C LYS A 70 11.205 1.901 7.364 1.00 0.00 C ATOM 1071 O LYS A 70 10.795 2.014 8.501 1.00 0.00 O ATOM 1072 CB LYS A 70 12.782 0.276 6.318 1.00 0.00 C ATOM 1073 CG LYS A 70 13.586 -0.053 7.580 1.00 0.00 C ATOM 1074 CD LYS A 70 15.070 -0.213 7.229 1.00 0.00 C ATOM 1075 CE LYS A 70 15.348 -1.660 6.817 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.760 -1.783 6.358 1.00 0.00 N ATOM 0 H LYS A 70 10.981 0.313 4.600 1.00 0.00 H new ATOM 0 HA LYS A 70 10.980 -0.243 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.848 -0.548 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.199 1.155 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.462 0.740 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.210 -0.971 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.337 0.464 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.688 0.057 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.168 -2.330 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.668 -1.959 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.950 -2.766 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.916 -1.155 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.401 -1.514 7.131 1.00 0.00 H new ATOM 1090 N THR A 71 11.569 2.946 6.670 1.00 0.00 N ATOM 1091 CA THR A 71 11.484 4.306 7.276 1.00 0.00 C ATOM 1092 C THR A 71 10.054 4.575 7.753 1.00 0.00 C ATOM 1093 O THR A 71 9.837 5.280 8.718 1.00 0.00 O ATOM 1094 CB THR A 71 11.879 5.358 6.236 1.00 0.00 C ATOM 1095 OG1 THR A 71 12.452 4.715 5.108 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.895 6.324 6.848 1.00 0.00 C ATOM 0 H THR A 71 11.920 2.917 5.713 1.00 0.00 H new ATOM 0 HA THR A 71 12.164 4.360 8.126 1.00 0.00 H new ATOM 0 HB THR A 71 10.994 5.914 5.925 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.754 4.232 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.176 7.073 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.452 6.817 7.713 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.781 5.771 7.159 1.00 0.00 H new ATOM 1104 N ILE A 72 9.077 4.021 7.089 1.00 0.00 N ATOM 1105 CA ILE A 72 7.668 4.254 7.513 1.00 0.00 C ATOM 1106 C ILE A 72 7.388 3.487 8.807 1.00 0.00 C ATOM 1107 O ILE A 72 6.477 3.812 9.544 1.00 0.00 O ATOM 1108 CB ILE A 72 6.715 3.776 6.414 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.706 4.794 5.267 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.304 3.637 6.986 1.00 0.00 C ATOM 1111 CD1 ILE A 72 5.975 4.207 4.056 1.00 0.00 C ATOM 0 H ILE A 72 9.193 3.419 6.274 1.00 0.00 H new ATOM 0 HA ILE A 72 7.514 5.319 7.685 1.00 0.00 H new ATOM 0 HB ILE A 72 7.050 2.809 6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.216 5.713 5.588 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.728 5.057 4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.626 3.297 6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.311 2.912 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.967 4.603 7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.972 4.935 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.484 3.300 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.948 3.967 4.332 1.00 0.00 H new ATOM 1123 N ARG A 73 8.160 2.471 9.093 1.00 0.00 N ATOM 1124 CA ARG A 73 7.927 1.694 10.344 1.00 0.00 C ATOM 1125 C ARG A 73 8.741 2.307 11.486 1.00 0.00 C ATOM 1126 O ARG A 73 8.341 2.271 12.633 1.00 0.00 O ATOM 1127 CB ARG A 73 8.322 0.221 10.121 1.00 0.00 C ATOM 1128 CG ARG A 73 9.706 -0.078 10.719 1.00 0.00 C ATOM 1129 CD ARG A 73 10.175 -1.457 10.247 1.00 0.00 C ATOM 1130 NE ARG A 73 10.843 -2.168 11.374 1.00 0.00 N ATOM 1131 CZ ARG A 73 10.129 -2.699 12.329 1.00 0.00 C ATOM 1132 NH1 ARG A 73 8.855 -2.433 12.415 1.00 0.00 N ATOM 1133 NH2 ARG A 73 10.691 -3.494 13.198 1.00 0.00 N ATOM 0 H ARG A 73 8.937 2.148 8.517 1.00 0.00 H new ATOM 0 HA ARG A 73 6.871 1.732 10.610 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.577 -0.431 10.577 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.328 0.001 9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.420 0.686 10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.658 -0.051 11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.326 -2.039 9.889 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.865 -1.351 9.410 1.00 0.00 H new ATOM 0 HE ARG A 73 11.860 -2.240 11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.417 -1.810 11.736 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.297 -2.848 13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.688 -3.700 13.131 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.134 -3.909 13.945 1.00 0.00 H new ATOM 1147 N ALA A 74 9.877 2.874 11.183 1.00 0.00 N ATOM 1148 CA ALA A 74 10.707 3.490 12.256 1.00 0.00 C ATOM 1149 C ALA A 74 10.027 4.766 12.747 1.00 0.00 C ATOM 1150 O ALA A 74 9.674 4.887 13.903 1.00 0.00 O ATOM 1151 CB ALA A 74 12.092 3.829 11.703 1.00 0.00 C ATOM 0 H ALA A 74 10.265 2.937 10.242 1.00 0.00 H new ATOM 0 HA ALA A 74 10.812 2.789 13.084 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.698 4.279 12.489 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.576 2.918 11.349 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.991 4.531 10.875 1.00 0.00 H new ATOM 1157 N ASP A 75 9.840 5.709 11.865 1.00 0.00 N ATOM 1158 CA ASP A 75 9.178 6.995 12.243 1.00 0.00 C ATOM 1159 C ASP A 75 9.658 7.450 13.624 1.00 0.00 C ATOM 1160 O ASP A 75 10.815 7.312 13.970 1.00 0.00 O ATOM 1161 CB ASP A 75 7.661 6.798 12.271 1.00 0.00 C ATOM 1162 CG ASP A 75 7.288 5.856 13.417 1.00 0.00 C ATOM 1163 OD1 ASP A 75 7.414 4.656 13.234 1.00 0.00 O ATOM 1164 OD2 ASP A 75 6.880 6.350 14.455 1.00 0.00 O ATOM 0 H ASP A 75 10.120 5.645 10.886 1.00 0.00 H new ATOM 0 HA ASP A 75 9.437 7.757 11.508 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.162 7.758 12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.320 6.385 11.322 1.00 0.00 H new ATOM 1169 N GLY A 76 8.773 7.993 14.415 1.00 0.00 N ATOM 1170 CA GLY A 76 9.167 8.458 15.774 1.00 0.00 C ATOM 1171 C GLY A 76 7.918 8.573 16.650 1.00 0.00 C ATOM 1172 O GLY A 76 7.999 8.641 17.860 1.00 0.00 O ATOM 0 H GLY A 76 7.791 8.135 14.177 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.875 7.759 16.219 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.670 9.423 15.709 1.00 0.00 H new ATOM 1176 N ALA A 77 6.761 8.593 16.045 1.00 0.00 N ATOM 1177 CA ALA A 77 5.506 8.702 16.838 1.00 0.00 C ATOM 1178 C ALA A 77 4.362 8.029 16.078 1.00 0.00 C ATOM 1179 O ALA A 77 3.270 7.878 16.589 1.00 0.00 O ATOM 1180 CB ALA A 77 5.172 10.178 17.064 1.00 0.00 C ATOM 0 H ALA A 77 6.632 8.538 15.035 1.00 0.00 H new ATOM 0 HA ALA A 77 5.640 8.209 17.801 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.253 10.258 17.645 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.987 10.657 17.607 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.038 10.672 16.102 1.00 0.00 H new ATOM 1186 N MET A 78 4.605 7.622 14.859 1.00 0.00 N ATOM 1187 CA MET A 78 3.535 6.957 14.063 1.00 0.00 C ATOM 1188 C MET A 78 3.696 5.440 14.169 1.00 0.00 C ATOM 1189 O MET A 78 2.928 4.769 14.829 1.00 0.00 O ATOM 1190 CB MET A 78 3.646 7.387 12.597 1.00 0.00 C ATOM 1191 CG MET A 78 4.001 8.873 12.523 1.00 0.00 C ATOM 1192 SD MET A 78 2.781 9.833 13.454 1.00 0.00 S ATOM 1193 CE MET A 78 3.299 11.470 12.882 1.00 0.00 C ATOM 0 H MET A 78 5.501 7.722 14.381 1.00 0.00 H new ATOM 0 HA MET A 78 2.557 7.246 14.449 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.409 6.795 12.091 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.704 7.202 12.081 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.998 9.040 12.930 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.022 9.201 11.484 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.668 12.232 13.340 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.338 11.642 13.163 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.203 11.524 11.798 1.00 0.00 H new ATOM 1203 N SER A 79 4.694 4.902 13.528 1.00 0.00 N ATOM 1204 CA SER A 79 4.922 3.430 13.584 1.00 0.00 C ATOM 1205 C SER A 79 3.594 2.691 13.395 1.00 0.00 C ATOM 1206 O SER A 79 3.286 1.760 14.113 1.00 0.00 O ATOM 1207 CB SER A 79 5.516 3.060 14.946 1.00 0.00 C ATOM 1208 OG SER A 79 5.414 1.655 15.138 1.00 0.00 O ATOM 0 H SER A 79 5.367 5.421 12.964 1.00 0.00 H new ATOM 0 HA SER A 79 5.611 3.143 12.790 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.560 3.371 14.997 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.988 3.586 15.741 1.00 0.00 H new ATOM 0 HG SER A 79 4.476 1.412 15.285 1.00 0.00 H new ATOM 1214 N ALA A 80 2.800 3.096 12.440 1.00 0.00 N ATOM 1215 CA ALA A 80 1.496 2.407 12.227 1.00 0.00 C ATOM 1216 C ALA A 80 1.091 2.474 10.755 1.00 0.00 C ATOM 1217 O ALA A 80 0.748 1.473 10.164 1.00 0.00 O ATOM 1218 CB ALA A 80 0.418 3.082 13.074 1.00 0.00 C ATOM 0 H ALA A 80 2.996 3.868 11.803 1.00 0.00 H new ATOM 0 HA ALA A 80 1.601 1.362 12.520 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.536 2.578 12.918 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.692 3.022 14.127 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.328 4.128 12.782 1.00 0.00 H new ATOM 1224 N LEU A 81 1.115 3.658 10.183 1.00 0.00 N ATOM 1225 CA LEU A 81 0.718 3.856 8.753 1.00 0.00 C ATOM 1226 C LEU A 81 0.959 2.572 7.925 1.00 0.00 C ATOM 1227 O LEU A 81 2.054 2.361 7.444 1.00 0.00 O ATOM 1228 CB LEU A 81 1.547 4.998 8.163 1.00 0.00 C ATOM 1229 CG LEU A 81 1.542 6.220 9.099 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.938 7.458 8.297 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.146 6.454 9.695 1.00 0.00 C ATOM 0 H LEU A 81 1.400 4.513 10.661 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.345 4.094 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.572 4.663 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.146 5.279 7.189 1.00 0.00 H new ATOM 0 HG LEU A 81 2.246 6.036 9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.938 8.330 8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.935 7.318 7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.224 7.611 7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.172 7.323 10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.569 6.628 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.158 5.577 10.266 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.061 1.736 7.795 1.00 0.00 N ATOM 1244 CA PRO A 82 0.053 0.463 7.048 1.00 0.00 C ATOM 1245 C PRO A 82 0.373 0.640 5.556 1.00 0.00 C ATOM 1246 O PRO A 82 -0.328 1.310 4.820 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.320 -0.210 7.206 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.187 0.688 8.112 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.405 1.972 8.375 1.00 0.00 C ATOM 0 HA PRO A 82 0.883 -0.122 7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.794 -0.342 6.234 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.210 -1.202 7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.139 0.912 7.631 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.415 0.180 9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.889 2.830 7.909 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.341 2.182 9.443 1.00 0.00 H new ATOM 1257 N VAL A 83 1.396 -0.044 5.106 1.00 0.00 N ATOM 1258 CA VAL A 83 1.756 -0.032 3.662 1.00 0.00 C ATOM 1259 C VAL A 83 1.406 -1.399 3.125 1.00 0.00 C ATOM 1260 O VAL A 83 2.031 -2.377 3.483 1.00 0.00 O ATOM 1261 CB VAL A 83 3.271 0.171 3.461 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.775 -0.636 2.241 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.576 1.638 3.213 1.00 0.00 C ATOM 0 H VAL A 83 2.004 -0.618 5.691 1.00 0.00 H new ATOM 0 HA VAL A 83 1.228 0.779 3.160 1.00 0.00 H new ATOM 0 HB VAL A 83 3.773 -0.173 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.846 -0.478 2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.581 -1.697 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.254 -0.303 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.649 1.768 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.050 1.973 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.248 2.228 4.069 1.00 0.00 H new ATOM 1273 N LEU A 84 0.446 -1.494 2.263 1.00 0.00 N ATOM 1274 CA LEU A 84 0.135 -2.826 1.716 1.00 0.00 C ATOM 1275 C LEU A 84 0.925 -2.972 0.432 1.00 0.00 C ATOM 1276 O LEU A 84 0.641 -2.349 -0.572 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.363 -2.968 1.467 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.824 -4.442 1.582 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.826 -5.423 0.941 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.009 -4.835 3.055 1.00 0.00 C ATOM 0 H LEU A 84 -0.126 -0.723 1.920 1.00 0.00 H new ATOM 0 HA LEU A 84 0.409 -3.612 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.911 -2.358 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.605 -2.587 0.475 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.770 -4.509 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.197 -6.442 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.714 -5.188 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.141 -5.334 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.333 -5.874 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.063 -4.718 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.762 -4.192 3.511 1.00 0.00 H new ATOM 1292 N MET A 85 1.943 -3.767 0.482 1.00 0.00 N ATOM 1293 CA MET A 85 2.803 -3.944 -0.702 1.00 0.00 C ATOM 1294 C MET A 85 2.175 -4.965 -1.669 1.00 0.00 C ATOM 1295 O MET A 85 2.227 -6.160 -1.442 1.00 0.00 O ATOM 1296 CB MET A 85 4.164 -4.445 -0.223 1.00 0.00 C ATOM 1297 CG MET A 85 5.166 -4.386 -1.368 1.00 0.00 C ATOM 1298 SD MET A 85 5.494 -2.652 -1.802 1.00 0.00 S ATOM 1299 CE MET A 85 6.402 -2.178 -0.309 1.00 0.00 C ATOM 0 H MET A 85 2.218 -4.307 1.302 1.00 0.00 H new ATOM 0 HA MET A 85 2.912 -2.998 -1.233 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.514 -3.836 0.610 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.077 -5.468 0.144 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.093 -4.881 -1.079 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.776 -4.921 -2.234 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.085 -1.361 -0.543 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.698 -1.854 0.458 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.970 -3.033 0.058 1.00 0.00 H new ATOM 1309 N VAL A 86 1.580 -4.505 -2.744 1.00 0.00 N ATOM 1310 CA VAL A 86 0.958 -5.447 -3.716 1.00 0.00 C ATOM 1311 C VAL A 86 1.910 -5.676 -4.889 1.00 0.00 C ATOM 1312 O VAL A 86 2.667 -4.806 -5.265 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.376 -4.865 -4.207 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.960 -3.944 -3.141 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.190 -4.055 -5.490 1.00 0.00 C ATOM 0 H VAL A 86 1.500 -3.517 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 86 0.767 -6.405 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.048 -5.700 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.906 -3.533 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.129 -4.509 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.263 -3.130 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.152 -3.657 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.500 -3.232 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.216 -4.698 -6.271 1.00 0.00 H new ATOM 1325 N THR A 87 1.880 -6.844 -5.469 1.00 0.00 N ATOM 1326 CA THR A 87 2.791 -7.118 -6.620 1.00 0.00 C ATOM 1327 C THR A 87 2.148 -8.129 -7.572 1.00 0.00 C ATOM 1328 O THR A 87 1.250 -8.860 -7.202 1.00 0.00 O ATOM 1329 CB THR A 87 4.122 -7.675 -6.106 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.147 -7.383 -7.046 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.014 -9.188 -5.921 1.00 0.00 C ATOM 0 H THR A 87 1.270 -7.616 -5.200 1.00 0.00 H new ATOM 0 HA THR A 87 2.970 -6.186 -7.157 1.00 0.00 H new ATOM 0 HB THR A 87 4.361 -7.214 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.001 -7.737 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.964 -9.579 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.228 -9.411 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.773 -9.655 -6.876 1.00 0.00 H new ATOM 1339 N ALA A 88 2.604 -8.180 -8.794 1.00 0.00 N ATOM 1340 CA ALA A 88 2.022 -9.145 -9.768 1.00 0.00 C ATOM 1341 C ALA A 88 2.780 -10.472 -9.689 1.00 0.00 C ATOM 1342 O ALA A 88 3.992 -10.512 -9.756 1.00 0.00 O ATOM 1343 CB ALA A 88 2.138 -8.576 -11.184 1.00 0.00 C ATOM 0 H ALA A 88 3.355 -7.594 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 88 0.972 -9.311 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.712 -9.283 -11.896 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.597 -7.632 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.188 -8.408 -11.424 1.00 0.00 H new ATOM 1349 N GLU A 89 2.073 -11.559 -9.547 1.00 0.00 N ATOM 1350 CA GLU A 89 2.746 -12.885 -9.464 1.00 0.00 C ATOM 1351 C GLU A 89 3.874 -12.825 -8.433 1.00 0.00 C ATOM 1352 O GLU A 89 5.039 -12.788 -8.776 1.00 0.00 O ATOM 1353 CB GLU A 89 3.326 -13.251 -10.832 1.00 0.00 C ATOM 1354 CG GLU A 89 2.263 -13.040 -11.910 1.00 0.00 C ATOM 1355 CD GLU A 89 2.640 -13.837 -13.160 1.00 0.00 C ATOM 1356 OE1 GLU A 89 2.850 -15.033 -13.036 1.00 0.00 O ATOM 1357 OE2 GLU A 89 2.713 -13.239 -14.221 1.00 0.00 O ATOM 0 H GLU A 89 1.055 -11.586 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 89 2.019 -13.640 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.201 -12.637 -11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.658 -14.289 -10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.288 -13.360 -11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.181 -11.980 -12.152 1.00 0.00 H new ATOM 1364 N ALA A 90 3.538 -12.822 -7.172 1.00 0.00 N ATOM 1365 CA ALA A 90 4.587 -12.772 -6.116 1.00 0.00 C ATOM 1366 C ALA A 90 5.690 -13.783 -6.450 1.00 0.00 C ATOM 1367 O ALA A 90 5.443 -14.967 -6.566 1.00 0.00 O ATOM 1368 CB ALA A 90 3.956 -13.124 -4.772 1.00 0.00 C ATOM 0 H ALA A 90 2.579 -12.852 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 90 5.018 -11.772 -6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.717 -13.090 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.168 -12.407 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.531 -14.127 -4.821 1.00 0.00 H new ATOM 1374 N LYS A 91 6.903 -13.327 -6.619 1.00 0.00 N ATOM 1375 CA LYS A 91 8.010 -14.268 -6.958 1.00 0.00 C ATOM 1376 C LYS A 91 8.313 -15.173 -5.758 1.00 0.00 C ATOM 1377 O LYS A 91 7.915 -16.321 -5.725 1.00 0.00 O ATOM 1378 CB LYS A 91 9.264 -13.469 -7.340 1.00 0.00 C ATOM 1379 CG LYS A 91 9.684 -13.834 -8.767 1.00 0.00 C ATOM 1380 CD LYS A 91 10.982 -13.104 -9.126 1.00 0.00 C ATOM 1381 CE LYS A 91 11.685 -13.843 -10.267 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.754 -13.976 -11.424 1.00 0.00 N ATOM 0 H LYS A 91 7.174 -12.347 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 91 7.708 -14.889 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.063 -12.400 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.074 -13.687 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.827 -14.911 -8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.896 -13.562 -9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.764 -12.078 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.635 -13.052 -8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.581 -13.300 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.008 -14.829 -9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.292 -14.241 -12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.047 -14.711 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.272 -13.069 -11.588 1.00 0.00 H new ATOM 1396 N LYS A 92 9.012 -14.673 -4.776 1.00 0.00 N ATOM 1397 CA LYS A 92 9.339 -15.512 -3.588 1.00 0.00 C ATOM 1398 C LYS A 92 10.009 -14.644 -2.519 1.00 0.00 C ATOM 1399 O LYS A 92 9.434 -14.359 -1.488 1.00 0.00 O ATOM 1400 CB LYS A 92 10.293 -16.641 -4.003 1.00 0.00 C ATOM 1401 CG LYS A 92 10.118 -17.834 -3.060 1.00 0.00 C ATOM 1402 CD LYS A 92 11.301 -18.795 -3.221 1.00 0.00 C ATOM 1403 CE LYS A 92 10.787 -20.234 -3.305 1.00 0.00 C ATOM 1404 NZ LYS A 92 10.178 -20.466 -4.646 1.00 0.00 N ATOM 0 H LYS A 92 9.371 -13.719 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 92 8.422 -15.942 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.089 -16.944 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.324 -16.289 -3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.055 -17.489 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.184 -18.351 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.864 -18.546 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.984 -18.691 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.606 -20.934 -3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.050 -20.415 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.014 -21.484 -4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.273 -19.958 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.822 -20.118 -5.385 1.00 0.00 H new ATOM 1418 N GLU A 93 11.224 -14.228 -2.754 1.00 0.00 N ATOM 1419 CA GLU A 93 11.933 -13.390 -1.757 1.00 0.00 C ATOM 1420 C GLU A 93 11.287 -12.005 -1.687 1.00 0.00 C ATOM 1421 O GLU A 93 11.221 -11.396 -0.638 1.00 0.00 O ATOM 1422 CB GLU A 93 13.402 -13.246 -2.162 1.00 0.00 C ATOM 1423 CG GLU A 93 14.105 -14.599 -2.036 1.00 0.00 C ATOM 1424 CD GLU A 93 15.150 -14.528 -0.919 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.755 -14.404 0.228 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.328 -14.601 -1.232 1.00 0.00 O ATOM 0 H GLU A 93 11.755 -14.436 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 93 11.868 -13.867 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.473 -12.882 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.894 -12.509 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.377 -15.381 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.583 -14.862 -2.980 1.00 0.00 H new ATOM 1433 N ASN A 94 10.814 -11.496 -2.795 1.00 0.00 N ATOM 1434 CA ASN A 94 10.185 -10.151 -2.782 1.00 0.00 C ATOM 1435 C ASN A 94 9.086 -10.106 -1.718 1.00 0.00 C ATOM 1436 O ASN A 94 8.874 -9.099 -1.075 1.00 0.00 O ATOM 1437 CB ASN A 94 9.587 -9.856 -4.154 1.00 0.00 C ATOM 1438 CG ASN A 94 10.705 -9.490 -5.131 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.544 -8.664 -4.831 1.00 0.00 O ATOM 1440 ND2 ASN A 94 10.751 -10.074 -6.296 1.00 0.00 N ATOM 0 H ASN A 94 10.838 -11.956 -3.705 1.00 0.00 H new ATOM 0 HA ASN A 94 10.940 -9.400 -2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.041 -10.726 -4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 94 8.871 -9.038 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.492 -9.837 -6.956 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.046 -10.767 -6.547 1.00 0.00 H new ATOM 1447 N ILE A 95 8.388 -11.189 -1.519 1.00 0.00 N ATOM 1448 CA ILE A 95 7.319 -11.190 -0.482 1.00 0.00 C ATOM 1449 C ILE A 95 7.971 -11.035 0.889 1.00 0.00 C ATOM 1450 O ILE A 95 7.650 -10.142 1.648 1.00 0.00 O ATOM 1451 CB ILE A 95 6.548 -12.510 -0.516 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.648 -12.549 -1.754 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.687 -12.623 0.746 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.080 -13.959 -1.925 1.00 0.00 C ATOM 0 H ILE A 95 8.510 -12.066 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 95 6.628 -10.370 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 95 7.251 -13.342 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.837 -11.828 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.216 -12.264 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.135 -13.563 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.328 -12.597 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.985 -11.790 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.439 -13.989 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.898 -14.669 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.497 -14.226 -1.043 1.00 0.00 H new ATOM 1466 N ILE A 96 8.895 -11.901 1.207 1.00 0.00 N ATOM 1467 CA ILE A 96 9.581 -11.810 2.522 1.00 0.00 C ATOM 1468 C ILE A 96 10.469 -10.568 2.535 1.00 0.00 C ATOM 1469 O ILE A 96 10.922 -10.130 3.570 1.00 0.00 O ATOM 1470 CB ILE A 96 10.444 -13.054 2.737 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.559 -14.301 2.704 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.147 -12.964 4.092 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.440 -15.551 2.656 1.00 0.00 C ATOM 0 H ILE A 96 9.203 -12.668 0.610 1.00 0.00 H new ATOM 0 HA ILE A 96 8.840 -11.744 3.319 1.00 0.00 H new ATOM 0 HB ILE A 96 11.191 -13.116 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.918 -14.328 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.903 -14.272 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.761 -13.852 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.780 -12.077 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.402 -12.899 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.809 -16.440 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.062 -15.524 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.077 -15.581 3.540 1.00 0.00 H new ATOM 1485 N ALA A 97 10.720 -9.997 1.387 1.00 0.00 N ATOM 1486 CA ALA A 97 11.579 -8.782 1.328 1.00 0.00 C ATOM 1487 C ALA A 97 10.853 -7.616 1.998 1.00 0.00 C ATOM 1488 O ALA A 97 11.367 -6.992 2.903 1.00 0.00 O ATOM 1489 CB ALA A 97 11.875 -8.439 -0.131 1.00 0.00 C ATOM 0 H ALA A 97 10.366 -10.321 0.487 1.00 0.00 H new ATOM 0 HA ALA A 97 12.517 -8.970 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.504 -7.550 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.393 -9.274 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.940 -8.249 -0.657 1.00 0.00 H new ATOM 1495 N ALA A 98 9.657 -7.324 1.577 1.00 0.00 N ATOM 1496 CA ALA A 98 8.907 -6.211 2.221 1.00 0.00 C ATOM 1497 C ALA A 98 8.551 -6.635 3.636 1.00 0.00 C ATOM 1498 O ALA A 98 8.708 -5.895 4.585 1.00 0.00 O ATOM 1499 CB ALA A 98 7.612 -5.928 1.461 1.00 0.00 C ATOM 0 H ALA A 98 9.168 -7.803 0.821 1.00 0.00 H new ATOM 0 HA ALA A 98 9.524 -5.313 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.077 -5.112 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.847 -5.649 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.988 -6.822 1.461 1.00 0.00 H new ATOM 1505 N ALA A 99 8.057 -7.829 3.781 1.00 0.00 N ATOM 1506 CA ALA A 99 7.674 -8.304 5.123 1.00 0.00 C ATOM 1507 C ALA A 99 8.919 -8.402 6.012 1.00 0.00 C ATOM 1508 O ALA A 99 8.834 -8.274 7.216 1.00 0.00 O ATOM 1509 CB ALA A 99 7.015 -9.677 5.014 1.00 0.00 C ATOM 0 H ALA A 99 7.904 -8.494 3.023 1.00 0.00 H new ATOM 0 HA ALA A 99 6.970 -7.599 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.733 -10.025 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.125 -9.605 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.716 -10.383 4.568 1.00 0.00 H new ATOM 1515 N GLN A 100 10.083 -8.616 5.439 1.00 0.00 N ATOM 1516 CA GLN A 100 11.304 -8.686 6.293 1.00 0.00 C ATOM 1517 C GLN A 100 11.301 -7.431 7.144 1.00 0.00 C ATOM 1518 O GLN A 100 11.712 -7.422 8.287 1.00 0.00 O ATOM 1519 CB GLN A 100 12.572 -8.714 5.434 1.00 0.00 C ATOM 1520 CG GLN A 100 13.211 -10.101 5.512 1.00 0.00 C ATOM 1521 CD GLN A 100 13.865 -10.284 6.883 1.00 0.00 C ATOM 1522 OE1 GLN A 100 14.628 -9.447 7.321 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.598 -11.352 7.583 1.00 0.00 N ATOM 0 H GLN A 100 10.235 -8.742 4.438 1.00 0.00 H new ATOM 0 HA GLN A 100 11.296 -9.592 6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.329 -8.472 4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.276 -7.958 5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.456 -10.871 5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.955 -10.215 4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.957 -12.055 7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.030 -11.484 8.498 1.00 0.00 H new ATOM 1532 N ALA A 101 10.786 -6.377 6.583 1.00 0.00 N ATOM 1533 CA ALA A 101 10.676 -5.104 7.331 1.00 0.00 C ATOM 1534 C ALA A 101 9.340 -5.155 8.067 1.00 0.00 C ATOM 1535 O ALA A 101 9.139 -4.525 9.086 1.00 0.00 O ATOM 1536 CB ALA A 101 10.694 -3.930 6.351 1.00 0.00 C ATOM 0 H ALA A 101 10.433 -6.346 5.627 1.00 0.00 H new ATOM 0 HA ALA A 101 11.504 -4.972 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.613 -2.994 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.628 -3.940 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.854 -4.019 5.662 1.00 0.00 H new ATOM 1542 N GLY A 102 8.443 -5.956 7.555 1.00 0.00 N ATOM 1543 CA GLY A 102 7.121 -6.138 8.193 1.00 0.00 C ATOM 1544 C GLY A 102 6.271 -4.883 8.088 1.00 0.00 C ATOM 1545 O GLY A 102 6.113 -4.161 9.051 1.00 0.00 O ATOM 0 H GLY A 102 8.581 -6.500 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.600 -6.971 7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.256 -6.400 9.242 1.00 0.00 H new ATOM 1549 N ALA A 103 5.690 -4.610 6.947 1.00 0.00 N ATOM 1550 CA ALA A 103 4.842 -3.394 6.886 1.00 0.00 C ATOM 1551 C ALA A 103 3.423 -3.761 7.291 1.00 0.00 C ATOM 1552 O ALA A 103 3.153 -4.154 8.409 1.00 0.00 O ATOM 1553 CB ALA A 103 4.789 -2.926 5.431 1.00 0.00 C ATOM 0 H ALA A 103 5.764 -5.156 6.089 1.00 0.00 H new ATOM 0 HA ALA A 103 5.246 -2.624 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.170 -2.031 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.797 -2.699 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.361 -3.714 4.811 1.00 0.00 H new ATOM 1559 N SER A 104 2.542 -3.706 6.350 1.00 0.00 N ATOM 1560 CA SER A 104 1.132 -4.127 6.596 1.00 0.00 C ATOM 1561 C SER A 104 1.007 -5.599 6.248 1.00 0.00 C ATOM 1562 O SER A 104 0.468 -6.406 6.978 1.00 0.00 O ATOM 1563 CB SER A 104 0.169 -3.317 5.737 1.00 0.00 C ATOM 1564 OG SER A 104 0.315 -1.943 6.041 1.00 0.00 O ATOM 0 H SER A 104 2.732 -3.383 5.401 1.00 0.00 H new ATOM 0 HA SER A 104 0.880 -3.957 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.372 -3.491 4.680 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.857 -3.635 5.922 1.00 0.00 H new ATOM 0 HG SER A 104 1.043 -1.826 6.687 1.00 0.00 H new ATOM 1570 N GLY A 105 1.493 -5.913 5.079 1.00 0.00 N ATOM 1571 CA GLY A 105 1.425 -7.298 4.544 1.00 0.00 C ATOM 1572 C GLY A 105 1.618 -7.233 3.028 1.00 0.00 C ATOM 1573 O GLY A 105 2.083 -6.237 2.505 1.00 0.00 O ATOM 0 H GLY A 105 1.947 -5.245 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.196 -7.920 4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.464 -7.753 4.786 1.00 0.00 H new ATOM 1577 N TYR A 106 1.263 -8.269 2.313 1.00 0.00 N ATOM 1578 CA TYR A 106 1.425 -8.238 0.829 1.00 0.00 C ATOM 1579 C TYR A 106 0.234 -8.918 0.167 1.00 0.00 C ATOM 1580 O TYR A 106 -0.360 -9.826 0.712 1.00 0.00 O ATOM 1581 CB TYR A 106 2.705 -8.970 0.410 1.00 0.00 C ATOM 1582 CG TYR A 106 2.350 -10.092 -0.546 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.998 -11.351 -0.041 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.363 -9.878 -1.936 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.663 -12.390 -0.914 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.022 -10.923 -2.807 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.674 -12.178 -2.293 1.00 0.00 C ATOM 1588 OH TYR A 106 1.331 -13.205 -3.146 1.00 0.00 O ATOM 0 H TYR A 106 0.870 -9.131 2.690 1.00 0.00 H new ATOM 0 HA TYR A 106 1.486 -7.196 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.396 -8.275 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.212 -9.371 1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.986 -11.519 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.635 -8.911 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.395 -13.359 -0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.028 -10.760 -3.875 1.00 0.00 H new ATOM 0 HH TYR A 106 0.687 -13.797 -2.703 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.105 -8.488 -1.015 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.249 -9.109 -1.741 1.00 0.00 C ATOM 1600 C VAL A 107 -0.887 -9.217 -3.222 1.00 0.00 C ATOM 1601 O VAL A 107 -0.507 -8.251 -3.851 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.509 -8.252 -1.570 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.239 -6.824 -2.045 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.650 -8.857 -2.392 1.00 0.00 C ATOM 0 H VAL A 107 0.362 -7.730 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.449 -10.101 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.787 -8.230 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.139 -6.223 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.429 -6.392 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.956 -6.838 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.547 -8.249 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.367 -8.882 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.850 -9.871 -2.046 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.986 -10.390 -3.781 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.628 -10.557 -5.215 1.00 0.00 C ATOM 1616 C VAL A 108 -1.707 -9.924 -6.107 1.00 0.00 C ATOM 1617 O VAL A 108 -2.829 -10.388 -6.165 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.512 -12.048 -5.539 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.595 -12.822 -4.785 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.692 -12.259 -7.044 1.00 0.00 C ATOM 0 H VAL A 108 -1.299 -11.238 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 108 0.325 -10.062 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 108 0.471 -12.408 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.511 -13.884 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.469 -12.673 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.578 -12.461 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.609 -13.321 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.674 -11.897 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.079 -11.709 -7.583 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.370 -8.873 -6.806 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.361 -8.207 -7.704 1.00 0.00 C ATOM 1632 C LYS A 109 -2.317 -8.899 -9.081 1.00 0.00 C ATOM 1633 O LYS A 109 -1.344 -9.558 -9.385 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.975 -6.719 -7.825 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.385 -6.402 -9.211 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.897 -4.952 -9.234 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.611 -4.534 -10.678 1.00 0.00 C ATOM 1638 NZ LYS A 109 -1.856 -3.999 -11.298 1.00 0.00 N ATOM 0 H LYS A 109 -0.445 -8.444 -6.794 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.373 -8.283 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.854 -6.098 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.249 -6.466 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.560 -7.079 -9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.138 -6.556 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.650 -4.296 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.004 -4.850 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.173 -3.777 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.246 -5.388 -11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.636 -3.607 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.551 -4.766 -11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.251 -3.251 -10.693 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.335 -8.712 -9.902 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.547 -7.919 -9.582 1.00 0.00 C ATOM 1654 C PRO A 110 -5.441 -8.680 -8.598 1.00 0.00 C ATOM 1655 O PRO A 110 -5.854 -9.794 -8.855 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.284 -7.782 -10.922 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.465 -8.546 -11.991 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.318 -9.265 -11.266 1.00 0.00 C ATOM 0 HA PRO A 110 -4.296 -6.960 -9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.292 -8.191 -10.848 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.386 -6.732 -11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.095 -9.263 -12.517 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.074 -7.857 -12.739 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.469 -10.344 -11.258 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.362 -9.081 -11.756 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.746 -8.090 -7.476 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.615 -8.787 -6.488 1.00 0.00 C ATOM 1668 C PHE A 111 -8.064 -8.402 -6.714 1.00 0.00 C ATOM 1669 O PHE A 111 -8.375 -7.344 -7.222 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.246 -8.369 -5.067 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.985 -6.886 -5.046 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.054 -5.982 -5.093 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.674 -6.414 -5.015 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.800 -4.608 -5.111 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.419 -5.041 -5.024 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.484 -4.135 -5.075 1.00 0.00 C ATOM 0 H PHE A 111 -5.432 -7.159 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.475 -9.860 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.054 -8.619 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.362 -8.912 -4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.071 -6.346 -5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.852 -7.113 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.622 -3.909 -5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.402 -4.679 -4.992 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.290 -3.073 -5.087 1.00 0.00 H new ATOM 1686 N THR A 112 -8.950 -9.240 -6.289 1.00 0.00 N ATOM 1687 CA THR A 112 -10.391 -8.924 -6.416 1.00 0.00 C ATOM 1688 C THR A 112 -10.802 -8.205 -5.134 1.00 0.00 C ATOM 1689 O THR A 112 -10.259 -8.468 -4.078 1.00 0.00 O ATOM 1690 CB THR A 112 -11.199 -10.216 -6.566 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.341 -11.258 -7.009 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.320 -10.003 -7.586 1.00 0.00 C ATOM 0 H THR A 112 -8.740 -10.139 -5.855 1.00 0.00 H new ATOM 0 HA THR A 112 -10.578 -8.303 -7.292 1.00 0.00 H new ATOM 0 HB THR A 112 -11.635 -10.488 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.855 -12.087 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.895 -10.923 -7.692 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.976 -9.203 -7.244 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.889 -9.731 -8.549 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.729 -7.293 -5.203 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.133 -6.573 -3.967 1.00 0.00 C ATOM 1702 C ALA A 113 -12.352 -7.589 -2.853 1.00 0.00 C ATOM 1703 O ALA A 113 -12.210 -7.282 -1.689 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.425 -5.791 -4.216 1.00 0.00 C ATOM 0 H ALA A 113 -12.220 -7.017 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.349 -5.872 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.714 -5.266 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.264 -5.068 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.218 -6.481 -4.504 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.668 -8.804 -3.198 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.863 -9.834 -2.148 1.00 0.00 C ATOM 1712 C ALA A 114 -11.507 -10.139 -1.520 1.00 0.00 C ATOM 1713 O ALA A 114 -11.386 -10.296 -0.322 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.450 -11.106 -2.762 1.00 0.00 C ATOM 0 H ALA A 114 -12.799 -9.126 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.555 -9.467 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.589 -11.855 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.412 -10.878 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.768 -11.492 -3.520 1.00 0.00 H new ATOM 1720 N THR A 115 -10.477 -10.203 -2.319 1.00 0.00 N ATOM 1721 CA THR A 115 -9.129 -10.473 -1.759 1.00 0.00 C ATOM 1722 C THR A 115 -8.704 -9.269 -0.923 1.00 0.00 C ATOM 1723 O THR A 115 -8.583 -9.364 0.283 1.00 0.00 O ATOM 1724 CB THR A 115 -8.129 -10.699 -2.890 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.698 -10.251 -4.107 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.799 -12.188 -2.995 1.00 0.00 C ATOM 0 H THR A 115 -10.513 -10.080 -3.331 1.00 0.00 H new ATOM 0 HA THR A 115 -9.157 -11.369 -1.138 1.00 0.00 H new ATOM 0 HB THR A 115 -7.213 -10.144 -2.686 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.968 -9.313 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.085 -12.346 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.366 -12.532 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.711 -12.749 -3.201 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.485 -8.125 -1.533 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.089 -6.949 -0.717 1.00 0.00 C ATOM 1736 C LEU A 116 -9.054 -6.798 0.466 1.00 0.00 C ATOM 1737 O LEU A 116 -8.656 -6.411 1.545 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.133 -5.685 -1.574 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.958 -4.775 -1.195 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.652 -5.344 -1.759 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.187 -3.371 -1.761 1.00 0.00 C ATOM 0 H LEU A 116 -8.563 -7.964 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.075 -7.096 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.079 -5.946 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.077 -5.162 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.888 -4.722 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.823 -4.692 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.482 -6.339 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.721 -5.406 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.350 -2.728 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.266 -3.425 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.109 -2.959 -1.350 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.319 -7.091 0.277 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.290 -6.948 1.401 1.00 0.00 C ATOM 1755 C GLU A 117 -10.851 -7.801 2.590 1.00 0.00 C ATOM 1756 O GLU A 117 -10.582 -7.298 3.662 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.678 -7.404 0.957 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.544 -7.666 2.191 1.00 0.00 C ATOM 1759 CD GLU A 117 -15.021 -7.516 1.820 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.417 -6.414 1.478 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.731 -8.506 1.885 1.00 0.00 O ATOM 0 H GLU A 117 -10.716 -7.421 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.322 -5.899 1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.140 -6.642 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.600 -8.309 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.355 -8.668 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.285 -6.966 2.985 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.792 -9.089 2.412 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.382 -9.977 3.534 1.00 0.00 C ATOM 1770 C GLU A 118 -9.144 -9.393 4.212 1.00 0.00 C ATOM 1771 O GLU A 118 -9.163 -9.060 5.379 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.059 -11.373 2.995 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.347 -12.044 2.513 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.999 -13.216 1.594 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -10.225 -14.061 2.012 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.512 -13.249 0.488 1.00 0.00 O ATOM 0 H GLU A 118 -11.010 -9.567 1.537 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.195 -10.050 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.345 -11.302 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.591 -11.976 3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.927 -12.397 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.968 -11.323 1.981 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.070 -9.260 3.486 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.830 -8.694 4.084 1.00 0.00 C ATOM 1785 C LYS A 119 -7.154 -7.375 4.792 1.00 0.00 C ATOM 1786 O LYS A 119 -6.495 -6.991 5.739 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.805 -8.451 2.976 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.815 -9.617 2.942 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.938 -9.520 1.692 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.172 -10.832 1.507 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.352 -11.103 2.721 1.00 0.00 N ATOM 0 H LYS A 119 -7.997 -9.519 2.502 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.420 -9.395 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.308 -8.357 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.276 -7.514 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.192 -9.602 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.355 -10.564 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.555 -9.319 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.240 -8.688 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.870 -11.652 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.530 -10.770 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.637 -11.826 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.878 -10.228 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.968 -11.444 3.487 1.00 0.00 H new ATOM 1805 N LEU A 120 -8.164 -6.680 4.346 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.532 -5.387 4.997 1.00 0.00 C ATOM 1807 C LEU A 120 -9.018 -5.659 6.425 1.00 0.00 C ATOM 1808 O LEU A 120 -8.382 -5.282 7.386 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.658 -4.715 4.182 1.00 0.00 C ATOM 1810 CG LEU A 120 -9.422 -3.203 3.989 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -9.481 -2.480 5.333 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -8.062 -2.947 3.327 1.00 0.00 C ATOM 0 H LEU A 120 -8.752 -6.951 3.558 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.665 -4.728 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.733 -5.196 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.611 -4.870 4.688 1.00 0.00 H new ATOM 0 HG LEU A 120 -10.208 -2.818 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.313 -1.414 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.461 -2.631 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.711 -2.878 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -7.915 -1.874 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -7.269 -3.350 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -8.034 -3.435 2.353 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.141 -6.303 6.574 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.660 -6.579 7.946 1.00 0.00 C ATOM 1826 C ASN A 121 -9.650 -7.410 8.745 1.00 0.00 C ATOM 1827 O ASN A 121 -9.595 -7.331 9.955 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.981 -7.342 7.846 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.149 -6.361 7.964 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.377 -5.562 7.078 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.905 -6.388 9.028 1.00 0.00 N ATOM 0 H ASN A 121 -10.721 -6.650 5.810 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.818 -5.630 8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.034 -7.874 6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.041 -8.091 8.635 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.687 -5.738 9.115 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.714 -7.059 9.772 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.856 -8.209 8.088 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.865 -9.038 8.835 1.00 0.00 C ATOM 1840 C LYS A 122 -6.678 -8.171 9.260 1.00 0.00 C ATOM 1841 O LYS A 122 -5.973 -8.487 10.198 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.366 -10.178 7.942 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.905 -11.511 8.465 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.414 -12.649 7.568 1.00 0.00 C ATOM 1845 CE LYS A 122 -6.433 -13.527 8.349 1.00 0.00 C ATOM 1846 NZ LYS A 122 -7.126 -14.112 9.531 1.00 0.00 N ATOM 0 H LYS A 122 -8.849 -8.325 7.075 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.346 -9.453 9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.694 -10.019 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.276 -10.194 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.572 -11.673 9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.995 -11.493 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.259 -13.246 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.928 -12.243 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.049 -14.321 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.576 -12.936 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.715 -15.042 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.008 -13.481 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.139 -14.221 9.321 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.440 -7.088 8.573 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.287 -6.218 8.940 1.00 0.00 C ATOM 1862 C ILE A 123 -5.717 -5.159 9.954 1.00 0.00 C ATOM 1863 O ILE A 123 -5.002 -4.864 10.892 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.758 -5.522 7.687 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.816 -6.473 6.946 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.997 -4.251 8.084 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.504 -5.920 5.556 1.00 0.00 C ATOM 0 H ILE A 123 -6.991 -6.769 7.777 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.508 -6.839 9.383 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.592 -5.251 7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.893 -6.599 7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.274 -7.458 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.621 -3.757 7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.668 -3.576 8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.160 -4.515 8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.833 -6.603 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.429 -5.818 4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.027 -4.945 5.651 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.860 -4.563 9.766 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.294 -3.506 10.712 1.00 0.00 C ATOM 1881 C PHE A 124 -7.537 -4.106 12.093 1.00 0.00 C ATOM 1882 O PHE A 124 -7.605 -3.399 13.079 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.554 -2.830 10.181 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.138 -1.802 9.157 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.496 -2.214 7.987 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.377 -0.443 9.383 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.097 -1.273 7.038 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.974 0.503 8.433 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.335 0.086 7.259 1.00 0.00 C ATOM 0 H PHE A 124 -7.507 -4.762 9.003 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.509 -2.755 10.803 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.221 -3.566 9.732 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.104 -2.356 10.994 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.308 -3.264 7.817 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.871 -0.124 10.289 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.604 -1.595 6.132 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.156 1.554 8.606 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.026 0.815 6.524 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.635 -5.402 12.188 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.834 -6.017 13.526 1.00 0.00 C ATOM 1901 C GLU A 125 -6.621 -5.663 14.380 1.00 0.00 C ATOM 1902 O GLU A 125 -6.713 -5.499 15.581 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.952 -7.536 13.392 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.335 -8.139 14.745 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.742 -8.734 14.661 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.672 -7.975 14.451 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.863 -9.939 14.807 1.00 0.00 O ATOM 0 H GLU A 125 -7.586 -6.055 11.406 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.749 -5.644 13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.703 -7.789 12.644 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.006 -7.956 13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.619 -8.911 15.026 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.299 -7.373 15.520 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.486 -5.516 13.753 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.259 -5.139 14.503 1.00 0.00 C ATOM 1916 C LYS A 126 -4.232 -3.617 14.636 1.00 0.00 C ATOM 1917 O LYS A 126 -3.663 -3.071 15.560 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.021 -5.609 13.736 1.00 0.00 C ATOM 1919 CG LYS A 126 -1.778 -5.439 14.618 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.373 -6.785 15.230 1.00 0.00 C ATOM 1921 CE LYS A 126 -0.520 -7.571 14.231 1.00 0.00 C ATOM 1922 NZ LYS A 126 0.712 -6.795 13.913 1.00 0.00 N ATOM 0 H LYS A 126 -5.357 -5.642 12.749 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.260 -5.606 15.488 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.134 -6.654 13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.909 -5.034 12.817 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.955 -5.039 14.026 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -1.981 -4.718 15.410 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.814 -6.623 16.152 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.262 -7.358 15.493 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.254 -8.542 14.648 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.089 -7.761 13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.500 -7.451 13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.548 -6.215 13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.950 -6.177 14.715 1.00 0.00 H new ATOM 1936 N LEU A 127 -4.859 -2.929 13.716 1.00 0.00 N ATOM 1937 CA LEU A 127 -4.888 -1.442 13.786 1.00 0.00 C ATOM 1938 C LEU A 127 -5.841 -1.021 14.906 1.00 0.00 C ATOM 1939 O LEU A 127 -5.784 0.088 15.400 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.377 -0.867 12.447 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.103 0.642 12.397 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.594 0.912 12.354 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.758 1.232 11.146 1.00 0.00 C ATOM 0 H LEU A 127 -5.351 -3.335 12.920 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.886 -1.062 13.988 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.870 -1.365 11.620 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.444 -1.056 12.328 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.518 1.106 13.292 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.418 1.987 12.319 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.124 0.496 13.245 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.166 0.445 11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.566 2.304 11.106 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.342 0.756 10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.833 1.057 11.181 1.00 0.00 H new ATOM 1955 N GLY A 128 -6.717 -1.903 15.315 1.00 0.00 N ATOM 1956 CA GLY A 128 -7.670 -1.557 16.407 1.00 0.00 C ATOM 1957 C GLY A 128 -8.701 -0.557 15.888 1.00 0.00 C ATOM 1958 O GLY A 128 -8.806 0.550 16.380 1.00 0.00 O ATOM 0 H GLY A 128 -6.812 -2.846 14.939 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.170 -2.457 16.766 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.130 -1.132 17.254 1.00 0.00 H new ATOM 1962 N MET A 129 -9.457 -0.940 14.891 1.00 0.00 N ATOM 1963 CA MET A 129 -10.485 -0.025 14.318 1.00 0.00 C ATOM 1964 C MET A 129 -11.859 -0.692 14.396 1.00 0.00 C ATOM 1965 O MET A 129 -12.835 -0.032 14.076 1.00 0.00 O ATOM 1966 CB MET A 129 -10.136 0.255 12.856 1.00 0.00 C ATOM 1967 CG MET A 129 -9.375 1.579 12.754 1.00 0.00 C ATOM 1968 SD MET A 129 -8.058 1.616 13.993 1.00 0.00 S ATOM 1969 CE MET A 129 -8.560 3.146 14.813 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.914 -1.851 14.774 1.00 0.00 O ATOM 0 H MET A 129 -9.404 -1.857 14.447 1.00 0.00 H new ATOM 0 HA MET A 129 -10.506 0.909 14.879 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.529 -0.557 12.455 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.045 0.300 12.257 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.953 1.692 11.756 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.057 2.415 12.908 1.00 0.00 H new ATOM 0 HE1 MET A 129 -7.871 3.365 15.628 1.00 0.00 H new ATOM 0 HE2 MET A 129 -8.544 3.966 14.095 1.00 0.00 H new ATOM 0 HE3 MET A 129 -9.568 3.032 15.211 1.00 0.00 H new