USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 57 GLN : amide:sc=-0.00471 K(o=-0.033,f=-1) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.028 K(o=-0.033,f=-0.89) USER MOD Set 2.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 51 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.6) USER MOD Set 3.1: A 19 ASN : amide:sc= 1.11 K(o=1.5,f=-0.16) USER MOD Set 3.2: A 31 GLN : amide:sc= 0.4 K(o=1.5,f=0.12) USER MOD Single : A 17 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ -120:sc= 1.26 (180deg=0.369) USER MOD Single : A 25 GLN : amide:sc= 1.19 K(o=1.2,f=-0.85) USER MOD Single : A 28 SER OG : rot -81:sc= 0.798 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-1.4) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 41 SER OG : rot -101:sc= 1.34 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0262) USER MOD Single : A 44 MET CE :methyl -171:sc= 0 (180deg=-0.052) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 145:sc= -2.23! USER MOD Single : A 54 SER OG : rot 180:sc= 0.00385 USER MOD Single : A 55 MET CE :methyl -118:sc= -0.0677 (180deg=-0.512) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0473 USER MOD Single : A 75 GLN : amide:sc= -0.0266 K(o=-0.027,f=-0.86) USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0914) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.246 K(o=-0.25,f=-0.88) USER MOD Single : A 90 GLN : amide:sc= -0.495 K(o=-0.5,f=-2.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.117 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 7.906 12.903 1.348 1.00 10.00 N ATOM 14 CA HIS A 17 6.786 11.977 1.339 1.00 10.00 C ATOM 15 C HIS A 17 5.490 12.688 0.985 1.00 10.00 C ATOM 16 O HIS A 17 5.287 13.854 1.334 1.00 10.00 O ATOM 17 CB HIS A 17 6.632 11.306 2.707 1.00 10.00 C ATOM 18 CG HIS A 17 7.698 10.307 3.026 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.831 10.670 3.711 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.743 8.977 2.768 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.537 9.563 3.857 1.00 10.00 C ATOM 22 NE2 HIS A 17 8.918 8.514 3.302 1.00 10.00 N ATOM 0 HA HIS A 17 6.993 11.220 0.582 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.630 12.076 3.478 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.662 10.811 2.748 1.00 10.00 H new ATOM 0 HD1 HIS A 17 9.077 11.604 4.040 1.00 10.00 H new ATOM 0 HD2 HIS A 17 6.999 8.396 2.244 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.491 9.511 4.360 1.00 10.00 H new ATOM 30 N ILE A 18 4.623 11.980 0.285 1.00 10.00 N ATOM 31 CA ILE A 18 3.331 12.509 -0.105 1.00 10.00 C ATOM 32 C ILE A 18 2.246 11.756 0.665 1.00 10.00 C ATOM 33 O ILE A 18 2.349 10.545 0.873 1.00 10.00 O ATOM 34 CB ILE A 18 3.121 12.397 -1.638 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.976 13.293 -2.101 1.00 10.00 C ATOM 36 CG2 ILE A 18 2.872 10.958 -2.065 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.901 13.424 -3.605 1.00 10.00 C ATOM 0 H ILE A 18 4.795 11.025 -0.028 1.00 10.00 H new ATOM 0 HA ILE A 18 3.278 13.570 0.141 1.00 10.00 H new ATOM 0 HB ILE A 18 4.041 12.735 -2.115 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.034 12.891 -1.729 1.00 10.00 H new ATOM 0 HG13 ILE A 18 2.096 14.283 -1.661 1.00 10.00 H new ATOM 0 HG21 ILE A 18 2.729 10.918 -3.145 1.00 10.00 H new ATOM 0 HG22 ILE A 18 3.729 10.343 -1.789 1.00 10.00 H new ATOM 0 HG23 ILE A 18 1.979 10.580 -1.567 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.067 14.073 -3.873 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.830 13.854 -3.980 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.752 12.440 -4.049 1.00 10.00 H new ATOM 49 N ASN A 19 1.237 12.473 1.129 1.00 10.00 N ATOM 50 CA ASN A 19 0.162 11.863 1.901 1.00 10.00 C ATOM 51 C ASN A 19 -1.063 11.631 1.036 1.00 10.00 C ATOM 52 O ASN A 19 -1.801 12.567 0.718 1.00 10.00 O ATOM 53 CB ASN A 19 -0.204 12.740 3.101 1.00 10.00 C ATOM 54 CG ASN A 19 0.978 13.019 4.007 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.253 12.265 4.942 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.687 14.101 3.729 1.00 10.00 N ATOM 0 H ASN A 19 1.137 13.478 0.986 1.00 10.00 H new ATOM 0 HA ASN A 19 0.517 10.899 2.264 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.613 13.685 2.743 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.990 12.251 3.677 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.498 14.339 4.299 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.422 14.697 2.944 1.00 10.00 H new ATOM 63 N LEU A 20 -1.271 10.384 0.652 1.00 10.00 N ATOM 64 CA LEU A 20 -2.407 10.018 -0.175 1.00 10.00 C ATOM 65 C LEU A 20 -3.510 9.407 0.678 1.00 10.00 C ATOM 66 O LEU A 20 -3.248 8.863 1.750 1.00 10.00 O ATOM 67 CB LEU A 20 -1.973 9.030 -1.258 1.00 10.00 C ATOM 68 CG LEU A 20 -0.815 9.505 -2.142 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.372 8.395 -3.081 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.214 10.743 -2.931 1.00 10.00 C ATOM 0 H LEU A 20 -0.664 9.603 0.902 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.794 10.918 -0.652 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.685 8.094 -0.780 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.831 8.812 -1.895 1.00 10.00 H new ATOM 0 HG LEU A 20 0.023 9.766 -1.496 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.451 8.750 -3.701 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -0.042 7.535 -2.498 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -1.207 8.103 -3.718 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.378 11.064 -3.552 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -2.069 10.510 -3.566 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.482 11.543 -2.241 1.00 10.00 H new ATOM 82 N LYS A 21 -4.741 9.501 0.201 1.00 10.00 N ATOM 83 CA LYS A 21 -5.885 8.962 0.919 1.00 10.00 C ATOM 84 C LYS A 21 -6.491 7.781 0.171 1.00 10.00 C ATOM 85 O LYS A 21 -6.813 7.884 -1.012 1.00 10.00 O ATOM 86 CB LYS A 21 -6.963 10.029 1.106 1.00 10.00 C ATOM 87 CG LYS A 21 -6.484 11.309 1.769 1.00 10.00 C ATOM 88 CD LYS A 21 -7.613 12.325 1.838 1.00 10.00 C ATOM 89 CE LYS A 21 -7.173 13.634 2.470 1.00 10.00 C ATOM 90 NZ LYS A 21 -8.282 14.624 2.510 1.00 10.00 N ATOM 0 H LYS A 21 -4.974 9.948 -0.686 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.527 8.630 1.894 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.382 10.276 0.131 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.772 9.608 1.703 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -6.120 11.092 2.773 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.646 11.724 1.209 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.988 12.517 0.833 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -8.440 11.907 2.412 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.815 13.447 3.482 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -6.336 14.047 1.907 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -8.011 15.471 1.970 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -9.137 14.205 2.091 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.475 14.890 3.497 1.00 10.00 H new ATOM 104 N VAL A 22 -6.631 6.662 0.857 1.00 10.00 N ATOM 105 CA VAL A 22 -7.225 5.476 0.270 1.00 10.00 C ATOM 106 C VAL A 22 -8.607 5.250 0.872 1.00 10.00 C ATOM 107 O VAL A 22 -8.737 4.993 2.071 1.00 10.00 O ATOM 108 CB VAL A 22 -6.335 4.236 0.493 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.997 2.978 -0.052 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.973 4.446 -0.152 1.00 10.00 C ATOM 0 H VAL A 22 -6.339 6.550 1.828 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.316 5.629 -0.805 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.200 4.102 1.566 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -6.346 2.121 0.120 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -7.948 2.819 0.455 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.171 3.093 -1.122 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.353 3.565 0.012 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.098 4.608 -1.223 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.490 5.317 0.292 1.00 10.00 H new ATOM 120 N ALA A 23 -9.634 5.367 0.043 1.00 10.00 N ATOM 121 CA ALA A 23 -11.006 5.204 0.500 1.00 10.00 C ATOM 122 C ALA A 23 -11.533 3.804 0.216 1.00 10.00 C ATOM 123 O ALA A 23 -11.297 3.243 -0.854 1.00 10.00 O ATOM 124 CB ALA A 23 -11.901 6.243 -0.153 1.00 10.00 C ATOM 0 H ALA A 23 -9.543 5.575 -0.951 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.015 5.347 1.581 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.925 6.112 0.196 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.552 7.241 0.112 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.868 6.122 -1.236 1.00 10.00 H new ATOM 130 N GLY A 24 -12.242 3.246 1.189 1.00 10.00 N ATOM 131 CA GLY A 24 -12.810 1.924 1.032 1.00 10.00 C ATOM 132 C GLY A 24 -14.315 1.973 0.865 1.00 10.00 C ATOM 133 O GLY A 24 -14.950 2.981 1.190 1.00 10.00 O ATOM 0 H GLY A 24 -12.434 3.689 2.088 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.364 1.438 0.164 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.561 1.316 1.902 1.00 10.00 H new ATOM 137 N GLN A 25 -14.892 0.880 0.385 1.00 10.00 N ATOM 138 CA GLN A 25 -16.336 0.797 0.162 1.00 10.00 C ATOM 139 C GLN A 25 -17.102 0.731 1.484 1.00 10.00 C ATOM 140 O GLN A 25 -18.332 0.781 1.509 1.00 10.00 O ATOM 141 CB GLN A 25 -16.664 -0.432 -0.689 1.00 10.00 C ATOM 142 CG GLN A 25 -15.907 -0.485 -2.009 1.00 10.00 C ATOM 143 CD GLN A 25 -16.420 0.523 -3.021 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.611 0.832 -3.063 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.525 1.042 -3.847 1.00 10.00 N ATOM 0 H GLN A 25 -14.382 0.031 0.140 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.646 1.699 -0.365 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.438 -1.331 -0.115 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.734 -0.445 -0.894 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -14.849 -0.301 -1.824 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -15.987 -1.488 -2.429 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.547 0.761 -3.781 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.814 1.723 -4.549 1.00 10.00 H new ATOM 154 N ASP A 26 -16.368 0.616 2.580 1.00 10.00 N ATOM 155 CA ASP A 26 -16.964 0.533 3.910 1.00 10.00 C ATOM 156 C ASP A 26 -16.874 1.874 4.639 1.00 10.00 C ATOM 157 O ASP A 26 -17.404 2.028 5.741 1.00 10.00 O ATOM 158 CB ASP A 26 -16.261 -0.550 4.733 1.00 10.00 C ATOM 159 CG ASP A 26 -14.802 -0.226 4.979 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.111 0.182 4.020 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.336 -0.379 6.123 1.00 10.00 O ATOM 0 H ASP A 26 -15.349 0.578 2.576 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.017 0.275 3.793 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.772 -0.666 5.689 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.337 -1.505 4.213 1.00 10.00 H new ATOM 166 N GLY A 27 -16.197 2.836 4.029 1.00 10.00 N ATOM 167 CA GLY A 27 -16.062 4.145 4.642 1.00 10.00 C ATOM 168 C GLY A 27 -14.778 4.293 5.440 1.00 10.00 C ATOM 169 O GLY A 27 -14.646 5.212 6.251 1.00 10.00 O ATOM 0 H GLY A 27 -15.739 2.736 3.123 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -16.092 4.909 3.865 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.914 4.324 5.298 1.00 10.00 H new ATOM 173 N SER A 28 -13.842 3.378 5.233 1.00 10.00 N ATOM 174 CA SER A 28 -12.560 3.430 5.923 1.00 10.00 C ATOM 175 C SER A 28 -11.607 4.345 5.160 1.00 10.00 C ATOM 176 O SER A 28 -11.734 4.503 3.941 1.00 10.00 O ATOM 177 CB SER A 28 -11.966 2.024 6.044 1.00 10.00 C ATOM 178 OG SER A 28 -11.962 1.360 4.792 1.00 10.00 O ATOM 0 H SER A 28 -13.946 2.591 4.593 1.00 10.00 H new ATOM 0 HA SER A 28 -12.709 3.827 6.927 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.948 2.088 6.428 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.542 1.444 6.765 1.00 10.00 H new ATOM 0 HG SER A 28 -12.851 0.986 4.617 1.00 10.00 H new ATOM 184 N VAL A 29 -10.676 4.966 5.867 1.00 10.00 N ATOM 185 CA VAL A 29 -9.722 5.859 5.232 1.00 10.00 C ATOM 186 C VAL A 29 -8.298 5.507 5.653 1.00 10.00 C ATOM 187 O VAL A 29 -7.964 5.509 6.841 1.00 10.00 O ATOM 188 CB VAL A 29 -10.029 7.346 5.552 1.00 10.00 C ATOM 189 CG1 VAL A 29 -10.161 7.575 7.051 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.965 8.259 4.958 1.00 10.00 C ATOM 0 H VAL A 29 -10.561 4.868 6.876 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.814 5.726 4.154 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.986 7.592 5.093 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -10.376 8.627 7.241 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.973 6.962 7.443 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -9.229 7.300 7.545 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.202 9.296 5.195 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.992 8.004 5.377 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.939 8.131 3.876 1.00 10.00 H new ATOM 200 N VAL A 30 -7.477 5.161 4.677 1.00 10.00 N ATOM 201 CA VAL A 30 -6.093 4.809 4.940 1.00 10.00 C ATOM 202 C VAL A 30 -5.153 5.836 4.319 1.00 10.00 C ATOM 203 O VAL A 30 -5.194 6.093 3.117 1.00 10.00 O ATOM 204 CB VAL A 30 -5.748 3.394 4.417 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.274 3.078 4.639 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.620 2.351 5.099 1.00 10.00 C ATOM 0 H VAL A 30 -7.745 5.116 3.694 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.960 4.807 6.022 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.945 3.370 3.345 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.056 2.078 4.263 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.662 3.807 4.108 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.049 3.122 5.705 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.366 1.361 4.721 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.451 2.383 6.175 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.669 2.561 4.890 1.00 10.00 H new ATOM 216 N GLN A 31 -4.331 6.432 5.160 1.00 10.00 N ATOM 217 CA GLN A 31 -3.365 7.427 4.740 1.00 10.00 C ATOM 218 C GLN A 31 -2.095 6.732 4.270 1.00 10.00 C ATOM 219 O GLN A 31 -1.437 6.022 5.039 1.00 10.00 O ATOM 220 CB GLN A 31 -3.055 8.373 5.903 1.00 10.00 C ATOM 221 CG GLN A 31 -2.206 9.577 5.526 1.00 10.00 C ATOM 222 CD GLN A 31 -1.862 10.433 6.730 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.612 10.482 7.707 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.730 11.119 6.670 1.00 10.00 N ATOM 0 H GLN A 31 -4.315 6.238 6.161 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.776 8.011 3.917 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.995 8.726 6.329 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.542 7.812 6.684 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.287 9.237 5.049 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.740 10.181 4.793 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.136 11.052 5.843 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.452 11.714 7.450 1.00 10.00 H new ATOM 233 N PHE A 32 -1.765 6.923 3.007 1.00 10.00 N ATOM 234 CA PHE A 32 -0.589 6.302 2.428 1.00 10.00 C ATOM 235 C PHE A 32 0.575 7.279 2.347 1.00 10.00 C ATOM 236 O PHE A 32 0.535 8.250 1.592 1.00 10.00 O ATOM 237 CB PHE A 32 -0.908 5.756 1.036 1.00 10.00 C ATOM 238 CG PHE A 32 -1.099 4.264 1.006 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.207 3.681 1.592 1.00 10.00 C ATOM 240 CD2 PHE A 32 -0.165 3.446 0.392 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.386 2.312 1.565 1.00 10.00 C ATOM 242 CE2 PHE A 32 -0.336 2.075 0.361 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.448 1.506 0.949 1.00 10.00 C ATOM 0 H PHE A 32 -2.297 7.505 2.360 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.295 5.479 3.080 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.812 6.238 0.664 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.100 6.025 0.355 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.943 4.305 2.078 1.00 10.00 H new ATOM 0 HD2 PHE A 32 0.708 3.885 -0.068 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.258 1.872 2.025 1.00 10.00 H new ATOM 0 HE2 PHE A 32 0.399 1.449 -0.123 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.584 0.435 0.928 1.00 10.00 H new ATOM 253 N LYS A 33 1.594 7.020 3.150 1.00 10.00 N ATOM 254 CA LYS A 33 2.795 7.833 3.164 1.00 10.00 C ATOM 255 C LYS A 33 3.796 7.210 2.203 1.00 10.00 C ATOM 256 O LYS A 33 4.432 6.203 2.516 1.00 10.00 O ATOM 257 CB LYS A 33 3.373 7.905 4.582 1.00 10.00 C ATOM 258 CG LYS A 33 4.616 8.771 4.698 1.00 10.00 C ATOM 259 CD LYS A 33 5.099 8.859 6.137 1.00 10.00 C ATOM 260 CE LYS A 33 6.442 9.568 6.234 1.00 10.00 C ATOM 261 NZ LYS A 33 6.931 9.649 7.635 1.00 10.00 N ATOM 0 H LYS A 33 1.610 6.241 3.809 1.00 10.00 H new ATOM 0 HA LYS A 33 2.566 8.852 2.851 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.609 8.292 5.256 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.613 6.896 4.918 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.408 8.360 4.072 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.400 9.772 4.323 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.361 9.392 6.737 1.00 10.00 H new ATOM 0 HD3 LYS A 33 5.185 7.856 6.555 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.175 9.040 5.624 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.351 10.574 5.823 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 7.848 10.139 7.655 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.245 10.175 8.212 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 7.043 8.689 8.020 1.00 10.00 H new ATOM 275 N ILE A 34 3.907 7.786 1.023 1.00 10.00 N ATOM 276 CA ILE A 34 4.792 7.258 -0.003 1.00 10.00 C ATOM 277 C ILE A 34 5.605 8.377 -0.652 1.00 10.00 C ATOM 278 O ILE A 34 5.181 9.527 -0.666 1.00 10.00 O ATOM 279 CB ILE A 34 3.954 6.510 -1.075 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.825 6.033 -2.240 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.822 7.396 -1.577 1.00 10.00 C ATOM 282 CD1 ILE A 34 4.035 5.447 -3.394 1.00 10.00 C ATOM 0 H ILE A 34 3.394 8.624 0.747 1.00 10.00 H new ATOM 0 HA ILE A 34 5.491 6.562 0.461 1.00 10.00 H new ATOM 0 HB ILE A 34 3.525 5.626 -0.604 1.00 10.00 H new ATOM 0 HG12 ILE A 34 5.417 6.872 -2.606 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.526 5.283 -1.874 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.244 6.857 -2.328 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.173 7.665 -0.743 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.237 8.301 -2.020 1.00 10.00 H new ATOM 0 HD11 ILE A 34 4.720 5.131 -4.181 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.463 4.587 -3.044 1.00 10.00 H new ATOM 0 HD13 ILE A 34 3.353 6.200 -3.788 1.00 10.00 H new ATOM 294 N LYS A 35 6.790 8.049 -1.150 1.00 10.00 N ATOM 295 CA LYS A 35 7.630 9.032 -1.818 1.00 10.00 C ATOM 296 C LYS A 35 7.122 9.239 -3.240 1.00 10.00 C ATOM 297 O LYS A 35 6.600 8.310 -3.856 1.00 10.00 O ATOM 298 CB LYS A 35 9.092 8.578 -1.807 1.00 10.00 C ATOM 299 CG LYS A 35 9.716 8.612 -0.418 1.00 10.00 C ATOM 300 CD LYS A 35 10.819 7.582 -0.254 1.00 10.00 C ATOM 301 CE LYS A 35 11.341 7.562 1.176 1.00 10.00 C ATOM 302 NZ LYS A 35 12.252 6.415 1.434 1.00 10.00 N ATOM 0 H LYS A 35 7.190 7.112 -1.104 1.00 10.00 H new ATOM 0 HA LYS A 35 7.579 9.983 -1.287 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.155 7.564 -2.203 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.670 9.217 -2.475 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.120 9.606 -0.228 1.00 10.00 H new ATOM 0 HG3 LYS A 35 8.943 8.434 0.329 1.00 10.00 H new ATOM 0 HD2 LYS A 35 10.442 6.595 -0.521 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.636 7.807 -0.940 1.00 10.00 H new ATOM 0 HE2 LYS A 35 11.869 8.494 1.380 1.00 10.00 H new ATOM 0 HE3 LYS A 35 10.499 7.515 1.866 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.580 6.447 2.421 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 11.744 5.523 1.267 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.071 6.472 0.795 1.00 10.00 H new ATOM 316 N ARG A 36 7.286 10.445 -3.769 1.00 10.00 N ATOM 317 CA ARG A 36 6.796 10.769 -5.110 1.00 10.00 C ATOM 318 C ARG A 36 7.562 10.030 -6.211 1.00 10.00 C ATOM 319 O ARG A 36 7.185 10.088 -7.383 1.00 10.00 O ATOM 320 CB ARG A 36 6.836 12.283 -5.338 1.00 10.00 C ATOM 321 CG ARG A 36 5.864 13.041 -4.444 1.00 10.00 C ATOM 322 CD ARG A 36 6.033 14.549 -4.555 1.00 10.00 C ATOM 323 NE ARG A 36 5.463 15.085 -5.791 1.00 10.00 N ATOM 324 CZ ARG A 36 4.423 15.928 -5.841 1.00 10.00 C ATOM 325 NH1 ARG A 36 3.826 16.336 -4.726 1.00 10.00 N ATOM 326 NH2 ARG A 36 3.984 16.371 -7.011 1.00 10.00 N ATOM 0 H ARG A 36 7.754 11.217 -3.293 1.00 10.00 H new ATOM 0 HA ARG A 36 5.763 10.427 -5.168 1.00 10.00 H new ATOM 0 HB2 ARG A 36 7.848 12.646 -5.157 1.00 10.00 H new ATOM 0 HB3 ARG A 36 6.603 12.495 -6.382 1.00 10.00 H new ATOM 0 HG2 ARG A 36 4.842 12.772 -4.711 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.013 12.736 -3.408 1.00 10.00 H new ATOM 0 HD2 ARG A 36 5.556 15.029 -3.700 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.093 14.797 -4.510 1.00 10.00 H new ATOM 0 HE ARG A 36 5.886 14.798 -6.674 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.159 16.007 -3.820 1.00 10.00 H new ATOM 0 HH12 ARG A 36 3.035 16.978 -4.777 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.438 16.070 -7.873 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.192 17.013 -7.049 1.00 10.00 H new ATOM 340 N HIS A 37 8.628 9.334 -5.838 1.00 10.00 N ATOM 341 CA HIS A 37 9.414 8.573 -6.807 1.00 10.00 C ATOM 342 C HIS A 37 9.195 7.071 -6.632 1.00 10.00 C ATOM 343 O HIS A 37 9.750 6.259 -7.374 1.00 10.00 O ATOM 344 CB HIS A 37 10.908 8.901 -6.682 1.00 10.00 C ATOM 345 CG HIS A 37 11.489 8.662 -5.315 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.604 7.394 -4.788 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.976 9.558 -4.420 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.155 7.546 -3.597 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.395 8.839 -3.333 1.00 10.00 N ATOM 0 H HIS A 37 8.969 9.279 -4.878 1.00 10.00 H new ATOM 0 HA HIS A 37 9.075 8.861 -7.802 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.460 8.302 -7.407 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.061 9.947 -6.950 1.00 10.00 H new ATOM 0 HD2 HIS A 37 12.024 10.630 -4.542 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.383 6.734 -2.923 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.812 9.216 -2.482 1.00 10.00 H new ATOM 357 N THR A 38 8.383 6.712 -5.650 1.00 10.00 N ATOM 358 CA THR A 38 8.097 5.318 -5.363 1.00 10.00 C ATOM 359 C THR A 38 6.943 4.808 -6.230 1.00 10.00 C ATOM 360 O THR A 38 5.884 5.434 -6.295 1.00 10.00 O ATOM 361 CB THR A 38 7.760 5.142 -3.871 1.00 10.00 C ATOM 362 OG1 THR A 38 8.887 5.538 -3.075 1.00 10.00 O ATOM 363 CG2 THR A 38 7.383 3.705 -3.548 1.00 10.00 C ATOM 0 H THR A 38 7.908 7.373 -5.035 1.00 10.00 H new ATOM 0 HA THR A 38 8.985 4.731 -5.598 1.00 10.00 H new ATOM 0 HB THR A 38 6.901 5.773 -3.641 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.672 5.428 -2.125 1.00 10.00 H new ATOM 0 HG21 THR A 38 7.152 3.619 -2.486 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.510 3.417 -4.134 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.217 3.046 -3.792 1.00 10.00 H new ATOM 371 N PRO A 39 7.149 3.678 -6.934 1.00 10.00 N ATOM 372 CA PRO A 39 6.126 3.076 -7.800 1.00 10.00 C ATOM 373 C PRO A 39 4.821 2.793 -7.060 1.00 10.00 C ATOM 374 O PRO A 39 4.825 2.291 -5.931 1.00 10.00 O ATOM 375 CB PRO A 39 6.771 1.764 -8.259 1.00 10.00 C ATOM 376 CG PRO A 39 8.234 1.982 -8.119 1.00 10.00 C ATOM 377 CD PRO A 39 8.406 2.906 -6.949 1.00 10.00 C ATOM 0 HA PRO A 39 5.849 3.742 -8.617 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.437 0.926 -7.648 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.504 1.533 -9.290 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.754 1.039 -7.951 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.652 2.419 -9.026 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.550 2.355 -6.020 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.274 3.554 -7.073 1.00 10.00 H new ATOM 385 N LEU A 40 3.702 3.101 -7.712 1.00 10.00 N ATOM 386 CA LEU A 40 2.384 2.880 -7.128 1.00 10.00 C ATOM 387 C LEU A 40 2.054 1.393 -7.092 1.00 10.00 C ATOM 388 O LEU A 40 1.016 0.991 -6.563 1.00 10.00 O ATOM 389 CB LEU A 40 1.308 3.638 -7.909 1.00 10.00 C ATOM 390 CG LEU A 40 1.362 5.163 -7.792 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.491 5.802 -8.862 1.00 10.00 C ATOM 392 CD2 LEU A 40 0.915 5.611 -6.408 1.00 10.00 C ATOM 0 H LEU A 40 3.684 3.506 -8.648 1.00 10.00 H new ATOM 0 HA LEU A 40 2.402 3.259 -6.106 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.390 3.368 -8.962 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.330 3.299 -7.568 1.00 10.00 H new ATOM 0 HG LEU A 40 2.393 5.485 -7.940 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.537 6.887 -8.769 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.850 5.507 -9.848 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.540 5.471 -8.738 1.00 10.00 H new ATOM 0 HD21 LEU A 40 0.961 6.698 -6.345 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -0.108 5.280 -6.231 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.572 5.176 -5.655 1.00 10.00 H new ATOM 404 N SER A 41 2.942 0.583 -7.657 1.00 10.00 N ATOM 405 CA SER A 41 2.771 -0.858 -7.674 1.00 10.00 C ATOM 406 C SER A 41 2.682 -1.386 -6.245 1.00 10.00 C ATOM 407 O SER A 41 1.959 -2.342 -5.967 1.00 10.00 O ATOM 408 CB SER A 41 3.941 -1.504 -8.418 1.00 10.00 C ATOM 409 OG SER A 41 4.599 -0.552 -9.240 1.00 10.00 O ATOM 0 H SER A 41 3.795 0.908 -8.113 1.00 10.00 H new ATOM 0 HA SER A 41 1.846 -1.110 -8.192 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.647 -1.923 -7.701 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.578 -2.331 -9.029 1.00 10.00 H new ATOM 0 HG SER A 41 4.316 -0.672 -10.171 1.00 10.00 H new ATOM 415 N LYS A 42 3.407 -0.737 -5.339 1.00 10.00 N ATOM 416 CA LYS A 42 3.399 -1.118 -3.934 1.00 10.00 C ATOM 417 C LYS A 42 2.077 -0.696 -3.297 1.00 10.00 C ATOM 418 O LYS A 42 1.528 -1.391 -2.445 1.00 10.00 O ATOM 419 CB LYS A 42 4.562 -0.460 -3.185 1.00 10.00 C ATOM 420 CG LYS A 42 5.928 -0.677 -3.815 1.00 10.00 C ATOM 421 CD LYS A 42 7.010 0.096 -3.067 1.00 10.00 C ATOM 422 CE LYS A 42 7.729 -0.786 -2.053 1.00 10.00 C ATOM 423 NZ LYS A 42 8.663 -1.742 -2.708 1.00 10.00 N ATOM 0 H LYS A 42 4.009 0.058 -5.556 1.00 10.00 H new ATOM 0 HA LYS A 42 3.512 -2.200 -3.868 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.374 0.612 -3.119 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.583 -0.843 -2.165 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.168 -1.740 -3.811 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.905 -0.359 -4.857 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.732 0.495 -3.780 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.562 0.948 -2.556 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.283 -0.158 -1.355 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.994 -1.340 -1.469 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.264 -2.190 -1.987 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.118 -2.474 -3.207 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.261 -1.232 -3.389 1.00 10.00 H new ATOM 437 N LEU A 43 1.563 0.443 -3.747 1.00 10.00 N ATOM 438 CA LEU A 43 0.308 0.993 -3.247 1.00 10.00 C ATOM 439 C LEU A 43 -0.863 0.103 -3.650 1.00 10.00 C ATOM 440 O LEU A 43 -1.930 0.143 -3.038 1.00 10.00 O ATOM 441 CB LEU A 43 0.118 2.418 -3.789 1.00 10.00 C ATOM 442 CG LEU A 43 -1.099 3.180 -3.259 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.722 4.614 -2.923 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.228 3.161 -4.279 1.00 10.00 C ATOM 0 H LEU A 43 2.005 1.012 -4.469 1.00 10.00 H new ATOM 0 HA LEU A 43 0.343 1.031 -2.158 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.013 2.996 -3.558 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.044 2.366 -4.875 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.443 2.686 -2.350 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.598 5.142 -2.548 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.057 4.616 -2.161 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.354 5.113 -3.819 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.084 3.708 -3.884 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.892 3.632 -5.203 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.518 2.130 -4.482 1.00 10.00 H new ATOM 456 N MET A 44 -0.656 -0.710 -4.675 1.00 10.00 N ATOM 457 CA MET A 44 -1.696 -1.609 -5.148 1.00 10.00 C ATOM 458 C MET A 44 -1.503 -3.011 -4.577 1.00 10.00 C ATOM 459 O MET A 44 -2.143 -3.962 -5.017 1.00 10.00 O ATOM 460 CB MET A 44 -1.720 -1.655 -6.677 1.00 10.00 C ATOM 461 CG MET A 44 -2.110 -0.331 -7.317 1.00 10.00 C ATOM 462 SD MET A 44 -2.842 -0.528 -8.955 1.00 10.00 S ATOM 463 CE MET A 44 -1.502 -1.331 -9.830 1.00 10.00 C ATOM 0 H MET A 44 0.221 -0.765 -5.194 1.00 10.00 H new ATOM 0 HA MET A 44 -2.655 -1.225 -4.800 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.735 -1.949 -7.039 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.421 -2.426 -6.999 1.00 10.00 H new ATOM 0 HG2 MET A 44 -2.818 0.185 -6.668 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.227 0.303 -7.394 1.00 10.00 H new ATOM 0 HE1 MET A 44 -1.737 -1.376 -10.893 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.582 -0.765 -9.685 1.00 10.00 H new ATOM 0 HE3 MET A 44 -1.370 -2.342 -9.445 1.00 10.00 H new ATOM 473 N LYS A 45 -0.629 -3.133 -3.581 1.00 10.00 N ATOM 474 CA LYS A 45 -0.372 -4.426 -2.950 1.00 10.00 C ATOM 475 C LYS A 45 -0.331 -4.321 -1.422 1.00 10.00 C ATOM 476 O LYS A 45 -0.827 -5.208 -0.727 1.00 10.00 O ATOM 477 CB LYS A 45 0.932 -5.030 -3.475 1.00 10.00 C ATOM 478 CG LYS A 45 0.760 -5.780 -4.789 1.00 10.00 C ATOM 479 CD LYS A 45 2.037 -6.492 -5.205 1.00 10.00 C ATOM 480 CE LYS A 45 3.023 -5.538 -5.857 1.00 10.00 C ATOM 481 NZ LYS A 45 4.278 -6.226 -6.255 1.00 10.00 N ATOM 0 H LYS A 45 -0.090 -2.358 -3.195 1.00 10.00 H new ATOM 0 HA LYS A 45 -1.201 -5.084 -3.212 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.664 -4.234 -3.612 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.337 -5.711 -2.726 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -0.046 -6.507 -4.689 1.00 10.00 H new ATOM 0 HG3 LYS A 45 0.463 -5.081 -5.570 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.499 -6.952 -4.331 1.00 10.00 H new ATOM 0 HD3 LYS A 45 1.796 -7.297 -5.899 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.563 -5.085 -6.735 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.256 -4.728 -5.166 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 4.925 -5.541 -6.696 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 4.730 -6.637 -5.414 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 4.059 -6.982 -6.934 1.00 10.00 H new ATOM 495 N ALA A 46 0.242 -3.237 -0.906 1.00 10.00 N ATOM 496 CA ALA A 46 0.360 -3.031 0.540 1.00 10.00 C ATOM 497 C ALA A 46 -0.992 -3.096 1.249 1.00 10.00 C ATOM 498 O ALA A 46 -1.150 -3.814 2.238 1.00 10.00 O ATOM 499 CB ALA A 46 1.037 -1.699 0.826 1.00 10.00 C ATOM 0 H ALA A 46 0.635 -2.482 -1.469 1.00 10.00 H new ATOM 0 HA ALA A 46 0.971 -3.844 0.933 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.119 -1.557 1.904 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.033 -1.694 0.382 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.445 -0.890 0.397 1.00 10.00 H new ATOM 505 N TYR A 47 -1.965 -2.352 0.740 1.00 10.00 N ATOM 506 CA TYR A 47 -3.298 -2.328 1.332 1.00 10.00 C ATOM 507 C TYR A 47 -3.989 -3.673 1.122 1.00 10.00 C ATOM 508 O TYR A 47 -4.736 -4.141 1.981 1.00 10.00 O ATOM 509 CB TYR A 47 -4.123 -1.181 0.728 1.00 10.00 C ATOM 510 CG TYR A 47 -5.544 -1.081 1.235 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.615 -1.144 0.351 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.817 -0.914 2.586 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.916 -1.047 0.799 1.00 10.00 C ATOM 514 CE2 TYR A 47 -7.118 -0.816 3.043 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.164 -0.882 2.142 1.00 10.00 C ATOM 516 OH TYR A 47 -9.463 -0.786 2.588 1.00 10.00 O ATOM 0 H TYR A 47 -1.857 -1.757 -0.081 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.211 -2.155 2.405 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.613 -0.240 0.933 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -4.147 -1.302 -0.355 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.425 -1.271 -0.705 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -5.000 -0.860 3.291 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.736 -1.100 0.099 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.316 -0.689 4.097 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.467 -0.674 3.562 1.00 10.00 H new ATOM 526 N CYS A 48 -3.706 -4.301 -0.014 1.00 10.00 N ATOM 527 CA CYS A 48 -4.287 -5.595 -0.344 1.00 10.00 C ATOM 528 C CYS A 48 -3.852 -6.651 0.668 1.00 10.00 C ATOM 529 O CYS A 48 -4.666 -7.445 1.142 1.00 10.00 O ATOM 530 CB CYS A 48 -3.863 -6.016 -1.751 1.00 10.00 C ATOM 531 SG CYS A 48 -4.170 -4.760 -3.013 1.00 10.00 S ATOM 0 H CYS A 48 -3.074 -3.932 -0.724 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.373 -5.506 -0.309 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -2.800 -6.257 -1.743 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -4.395 -6.928 -2.023 1.00 10.00 H new ATOM 0 HG CYS A 48 -3.218 -4.792 -3.898 1.00 10.00 H new ATOM 537 N GLU A 49 -2.566 -6.636 1.008 1.00 10.00 N ATOM 538 CA GLU A 49 -2.000 -7.584 1.964 1.00 10.00 C ATOM 539 C GLU A 49 -2.658 -7.446 3.332 1.00 10.00 C ATOM 540 O GLU A 49 -2.988 -8.444 3.977 1.00 10.00 O ATOM 541 CB GLU A 49 -0.494 -7.370 2.097 1.00 10.00 C ATOM 542 CG GLU A 49 0.295 -7.788 0.870 1.00 10.00 C ATOM 543 CD GLU A 49 0.331 -9.291 0.673 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.303 -10.033 1.680 1.00 10.00 O ATOM 545 OE2 GLU A 49 0.402 -9.736 -0.492 1.00 10.00 O ATOM 0 H GLU A 49 -1.890 -5.971 0.632 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.191 -8.589 1.587 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.303 -6.316 2.299 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.132 -7.930 2.959 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.142 -7.322 -0.013 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.315 -7.414 0.956 1.00 10.00 H new ATOM 552 N ARG A 50 -2.854 -6.206 3.768 1.00 10.00 N ATOM 553 CA ARG A 50 -3.470 -5.940 5.063 1.00 10.00 C ATOM 554 C ARG A 50 -4.939 -6.349 5.068 1.00 10.00 C ATOM 555 O ARG A 50 -5.472 -6.761 6.096 1.00 10.00 O ATOM 556 CB ARG A 50 -3.321 -4.468 5.443 1.00 10.00 C ATOM 557 CG ARG A 50 -1.879 -4.066 5.704 1.00 10.00 C ATOM 558 CD ARG A 50 -1.782 -2.910 6.684 1.00 10.00 C ATOM 559 NE ARG A 50 -0.391 -2.558 6.959 1.00 10.00 N ATOM 560 CZ ARG A 50 -0.006 -1.488 7.652 1.00 10.00 C ATOM 561 NH1 ARG A 50 -0.908 -0.648 8.155 1.00 10.00 N ATOM 562 NH2 ARG A 50 1.288 -1.255 7.829 1.00 10.00 N ATOM 0 H ARG A 50 -2.595 -5.370 3.244 1.00 10.00 H new ATOM 0 HA ARG A 50 -2.950 -6.542 5.809 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.726 -3.849 4.642 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -3.916 -4.266 6.334 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.329 -4.921 6.096 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.404 -3.786 4.764 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.305 -2.043 6.279 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.282 -3.178 7.615 1.00 10.00 H new ATOM 0 HE ARG A 50 0.336 -3.174 6.595 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -1.903 -0.822 8.011 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -0.604 0.169 8.685 1.00 10.00 H new ATOM 0 HH21 ARG A 50 1.980 -1.893 7.436 1.00 10.00 H new ATOM 0 HH22 ARG A 50 1.591 -0.438 8.359 1.00 10.00 H new ATOM 576 N GLN A 51 -5.588 -6.247 3.917 1.00 10.00 N ATOM 577 CA GLN A 51 -6.990 -6.627 3.804 1.00 10.00 C ATOM 578 C GLN A 51 -7.119 -8.140 3.690 1.00 10.00 C ATOM 579 O GLN A 51 -8.136 -8.720 4.072 1.00 10.00 O ATOM 580 CB GLN A 51 -7.637 -5.954 2.592 1.00 10.00 C ATOM 581 CG GLN A 51 -7.812 -4.455 2.754 1.00 10.00 C ATOM 582 CD GLN A 51 -8.639 -4.093 3.971 1.00 10.00 C ATOM 583 OE1 GLN A 51 -8.110 -3.927 5.070 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.944 -3.963 3.784 1.00 10.00 N ATOM 0 H GLN A 51 -5.169 -5.906 3.052 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.508 -6.293 4.703 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.026 -6.147 1.710 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.611 -6.408 2.411 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.832 -3.985 2.833 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.289 -4.050 1.862 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.343 -4.109 2.857 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.549 -3.717 4.567 1.00 10.00 H new ATOM 593 N GLY A 52 -6.074 -8.772 3.175 1.00 10.00 N ATOM 594 CA GLY A 52 -6.078 -10.209 3.011 1.00 10.00 C ATOM 595 C GLY A 52 -6.626 -10.614 1.663 1.00 10.00 C ATOM 596 O GLY A 52 -7.147 -11.716 1.499 1.00 10.00 O ATOM 0 H GLY A 52 -5.219 -8.310 2.866 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.063 -10.591 3.121 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.677 -10.664 3.800 1.00 10.00 H new ATOM 600 N LEU A 53 -6.508 -9.717 0.694 1.00 10.00 N ATOM 601 CA LEU A 53 -7.003 -9.977 -0.646 1.00 10.00 C ATOM 602 C LEU A 53 -5.897 -9.787 -1.671 1.00 10.00 C ATOM 603 O LEU A 53 -4.940 -9.044 -1.440 1.00 10.00 O ATOM 604 CB LEU A 53 -8.173 -9.044 -0.974 1.00 10.00 C ATOM 605 CG LEU A 53 -9.383 -9.156 -0.045 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.427 -8.107 -0.398 1.00 10.00 C ATOM 607 CD2 LEU A 53 -9.983 -10.551 -0.119 1.00 10.00 C ATOM 0 H LEU A 53 -6.073 -8.802 0.813 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.348 -11.010 -0.685 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.813 -8.016 -0.951 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.500 -9.244 -1.994 1.00 10.00 H new ATOM 0 HG LEU A 53 -9.049 -8.978 0.977 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.280 -8.202 0.274 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.993 -7.112 -0.294 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.757 -8.254 -1.427 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.843 -10.613 0.548 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.301 -10.756 -1.141 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.236 -11.285 0.183 1.00 10.00 H new ATOM 619 N SER A 54 -6.029 -10.468 -2.794 1.00 10.00 N ATOM 620 CA SER A 54 -5.059 -10.373 -3.865 1.00 10.00 C ATOM 621 C SER A 54 -5.392 -9.183 -4.758 1.00 10.00 C ATOM 622 O SER A 54 -6.561 -8.808 -4.896 1.00 10.00 O ATOM 623 CB SER A 54 -5.054 -11.670 -4.681 1.00 10.00 C ATOM 624 OG SER A 54 -4.175 -11.582 -5.790 1.00 10.00 O ATOM 0 H SER A 54 -6.807 -11.098 -2.987 1.00 10.00 H new ATOM 0 HA SER A 54 -4.066 -10.225 -3.440 1.00 10.00 H new ATOM 0 HB2 SER A 54 -4.755 -12.501 -4.043 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.064 -11.885 -5.032 1.00 10.00 H new ATOM 0 HG SER A 54 -4.193 -12.425 -6.289 1.00 10.00 H new ATOM 630 N MET A 55 -4.365 -8.600 -5.369 1.00 10.00 N ATOM 631 CA MET A 55 -4.538 -7.454 -6.258 1.00 10.00 C ATOM 632 C MET A 55 -5.393 -7.836 -7.467 1.00 10.00 C ATOM 633 O MET A 55 -5.938 -6.977 -8.154 1.00 10.00 O ATOM 634 CB MET A 55 -3.173 -6.937 -6.730 1.00 10.00 C ATOM 635 CG MET A 55 -3.238 -5.600 -7.458 1.00 10.00 C ATOM 636 SD MET A 55 -1.713 -5.213 -8.344 1.00 10.00 S ATOM 637 CE MET A 55 -1.791 -6.403 -9.682 1.00 10.00 C ATOM 0 H MET A 55 -3.397 -8.905 -5.264 1.00 10.00 H new ATOM 0 HA MET A 55 -5.046 -6.665 -5.704 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.515 -6.838 -5.867 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.723 -7.678 -7.391 1.00 10.00 H new ATOM 0 HG2 MET A 55 -4.069 -5.615 -8.163 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.446 -4.809 -6.738 1.00 10.00 H new ATOM 0 HE1 MET A 55 -0.940 -7.080 -9.617 1.00 10.00 H new ATOM 0 HE2 MET A 55 -2.716 -6.975 -9.607 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.765 -5.879 -10.637 1.00 10.00 H new ATOM 647 N ARG A 56 -5.508 -9.133 -7.711 1.00 10.00 N ATOM 648 CA ARG A 56 -6.290 -9.647 -8.828 1.00 10.00 C ATOM 649 C ARG A 56 -7.788 -9.588 -8.530 1.00 10.00 C ATOM 650 O ARG A 56 -8.609 -9.550 -9.448 1.00 10.00 O ATOM 651 CB ARG A 56 -5.871 -11.092 -9.121 1.00 10.00 C ATOM 652 CG ARG A 56 -6.583 -11.721 -10.310 1.00 10.00 C ATOM 653 CD ARG A 56 -6.001 -11.242 -11.627 1.00 10.00 C ATOM 654 NE ARG A 56 -6.385 -12.113 -12.736 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.527 -12.842 -13.451 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.226 -12.806 -13.186 1.00 10.00 N ATOM 657 NH2 ARG A 56 -5.975 -13.601 -14.442 1.00 10.00 N ATOM 0 H ARG A 56 -5.065 -9.856 -7.144 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.097 -9.023 -9.700 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.796 -11.117 -9.301 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.060 -11.700 -8.236 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -6.504 -12.806 -10.250 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -7.644 -11.476 -10.270 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -6.342 -10.226 -11.827 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -4.914 -11.205 -11.553 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.374 -12.167 -12.979 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -3.876 -12.217 -12.430 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -3.577 -13.367 -13.738 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -6.972 -13.626 -14.655 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -5.322 -14.160 -14.991 1.00 10.00 H new ATOM 671 N GLN A 57 -8.139 -9.542 -7.251 1.00 10.00 N ATOM 672 CA GLN A 57 -9.541 -9.523 -6.845 1.00 10.00 C ATOM 673 C GLN A 57 -10.111 -8.104 -6.809 1.00 10.00 C ATOM 674 O GLN A 57 -11.288 -7.892 -7.101 1.00 10.00 O ATOM 675 CB GLN A 57 -9.698 -10.188 -5.475 1.00 10.00 C ATOM 676 CG GLN A 57 -11.145 -10.374 -5.043 1.00 10.00 C ATOM 677 CD GLN A 57 -11.278 -11.230 -3.797 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.472 -12.126 -3.559 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.296 -10.967 -2.993 1.00 10.00 N ATOM 0 H GLN A 57 -7.475 -9.517 -6.477 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.106 -10.082 -7.591 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.207 -11.161 -5.496 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.180 -9.586 -4.728 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.593 -9.398 -4.858 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.707 -10.833 -5.856 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.946 -10.215 -3.222 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.431 -11.516 -2.144 1.00 10.00 H new ATOM 688 N ILE A 58 -9.285 -7.134 -6.453 1.00 10.00 N ATOM 689 CA ILE A 58 -9.744 -5.752 -6.378 1.00 10.00 C ATOM 690 C ILE A 58 -9.172 -4.911 -7.514 1.00 10.00 C ATOM 691 O ILE A 58 -8.301 -5.362 -8.256 1.00 10.00 O ATOM 692 CB ILE A 58 -9.395 -5.105 -5.021 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.944 -5.403 -4.633 1.00 10.00 C ATOM 694 CG2 ILE A 58 -10.350 -5.600 -3.945 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.532 -4.787 -3.314 1.00 10.00 C ATOM 0 H ILE A 58 -8.303 -7.272 -6.213 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.829 -5.779 -6.476 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.503 -4.024 -5.115 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.805 -6.483 -4.579 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.284 -5.035 -5.418 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -10.095 -5.137 -2.991 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -11.372 -5.334 -4.215 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -10.268 -6.683 -3.856 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -6.493 -5.039 -3.103 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.638 -3.704 -3.369 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -8.168 -5.174 -2.518 1.00 10.00 H new ATOM 707 N ARG A 59 -9.684 -3.696 -7.661 1.00 10.00 N ATOM 708 CA ARG A 59 -9.230 -2.791 -8.713 1.00 10.00 C ATOM 709 C ARG A 59 -8.944 -1.408 -8.142 1.00 10.00 C ATOM 710 O ARG A 59 -9.652 -0.941 -7.253 1.00 10.00 O ATOM 711 CB ARG A 59 -10.288 -2.669 -9.817 1.00 10.00 C ATOM 712 CG ARG A 59 -10.579 -3.964 -10.554 1.00 10.00 C ATOM 713 CD ARG A 59 -9.383 -4.428 -11.370 1.00 10.00 C ATOM 714 NE ARG A 59 -9.664 -5.670 -12.084 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.387 -6.885 -11.609 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.812 -7.026 -10.421 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.686 -7.957 -12.331 1.00 10.00 N ATOM 0 H ARG A 59 -10.416 -3.312 -7.064 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.315 -3.205 -9.136 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.214 -2.300 -9.376 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -9.958 -1.921 -10.538 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.852 -4.738 -9.836 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.436 -3.823 -11.212 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -9.107 -3.652 -12.084 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.527 -4.573 -10.711 1.00 10.00 H new ATOM 0 HE ARG A 59 -10.100 -5.604 -13.004 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.580 -6.202 -9.866 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.603 -7.958 -10.063 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -10.126 -7.850 -13.245 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.476 -8.888 -11.972 1.00 10.00 H new ATOM 731 N PHE A 60 -7.906 -0.761 -8.652 1.00 10.00 N ATOM 732 CA PHE A 60 -7.544 0.571 -8.195 1.00 10.00 C ATOM 733 C PHE A 60 -7.769 1.583 -9.311 1.00 10.00 C ATOM 734 O PHE A 60 -7.414 1.339 -10.470 1.00 10.00 O ATOM 735 CB PHE A 60 -6.089 0.603 -7.723 1.00 10.00 C ATOM 736 CG PHE A 60 -5.853 -0.182 -6.464 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.600 -1.544 -6.515 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.884 0.443 -5.229 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.386 -2.267 -5.358 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.670 -0.277 -4.069 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.421 -1.632 -4.133 1.00 10.00 C ATOM 0 H PHE A 60 -7.301 -1.137 -9.382 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.179 0.835 -7.349 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.450 0.209 -8.513 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.791 1.638 -7.558 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.570 -2.046 -7.471 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -6.077 1.504 -5.172 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.191 -3.328 -5.412 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.698 0.222 -3.112 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.254 -2.195 -3.227 1.00 10.00 H new ATOM 751 N ARG A 61 -8.369 2.712 -8.963 1.00 10.00 N ATOM 752 CA ARG A 61 -8.661 3.750 -9.937 1.00 10.00 C ATOM 753 C ARG A 61 -8.312 5.132 -9.393 1.00 10.00 C ATOM 754 O ARG A 61 -8.436 5.390 -8.196 1.00 10.00 O ATOM 755 CB ARG A 61 -10.143 3.686 -10.310 1.00 10.00 C ATOM 756 CG ARG A 61 -10.567 4.710 -11.345 1.00 10.00 C ATOM 757 CD ARG A 61 -11.974 4.442 -11.851 1.00 10.00 C ATOM 758 NE ARG A 61 -12.071 3.162 -12.549 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.113 2.801 -13.293 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.153 3.614 -13.423 1.00 10.00 N ATOM 761 NH2 ARG A 61 -13.120 1.619 -13.898 1.00 10.00 N ATOM 0 H ARG A 61 -8.663 2.932 -8.011 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.050 3.581 -10.824 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.369 2.689 -10.688 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.740 3.828 -9.409 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.520 5.709 -10.911 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -9.869 4.693 -12.182 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.669 4.450 -11.011 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.277 5.245 -12.523 1.00 10.00 H new ATOM 0 HE ARG A 61 -11.294 2.507 -12.461 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.155 4.519 -12.952 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -14.951 3.335 -13.994 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -12.326 0.987 -13.792 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -13.919 1.343 -14.468 1.00 10.00 H new ATOM 775 N PHE A 62 -7.859 6.009 -10.280 1.00 10.00 N ATOM 776 CA PHE A 62 -7.506 7.370 -9.912 1.00 10.00 C ATOM 777 C PHE A 62 -7.945 8.328 -11.014 1.00 10.00 C ATOM 778 O PHE A 62 -7.626 8.118 -12.187 1.00 10.00 O ATOM 779 CB PHE A 62 -5.998 7.498 -9.676 1.00 10.00 C ATOM 780 CG PHE A 62 -5.584 8.850 -9.171 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.766 9.191 -7.843 1.00 10.00 C ATOM 782 CD2 PHE A 62 -5.020 9.783 -10.027 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.394 10.435 -7.374 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.645 11.029 -9.566 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.832 11.357 -8.238 1.00 10.00 C ATOM 0 H PHE A 62 -7.727 5.797 -11.269 1.00 10.00 H new ATOM 0 HA PHE A 62 -8.018 7.624 -8.984 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.685 6.739 -8.959 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.473 7.291 -10.609 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.205 8.475 -7.164 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.872 9.532 -11.067 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.542 10.688 -6.334 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.206 11.746 -10.243 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.540 12.331 -7.875 1.00 10.00 H new ATOM 795 N ASP A 63 -8.702 9.356 -10.631 1.00 10.00 N ATOM 796 CA ASP A 63 -9.201 10.370 -11.569 1.00 10.00 C ATOM 797 C ASP A 63 -10.104 9.739 -12.632 1.00 10.00 C ATOM 798 O ASP A 63 -10.293 10.289 -13.718 1.00 10.00 O ATOM 799 CB ASP A 63 -8.037 11.120 -12.234 1.00 10.00 C ATOM 800 CG ASP A 63 -8.430 12.507 -12.711 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.820 13.341 -11.868 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.337 12.777 -13.929 1.00 10.00 O ATOM 0 H ASP A 63 -8.988 9.512 -9.664 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.793 11.086 -10.999 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.212 11.204 -11.526 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.672 10.539 -13.081 1.00 10.00 H new ATOM 807 N GLY A 64 -10.672 8.584 -12.309 1.00 10.00 N ATOM 808 CA GLY A 64 -11.549 7.899 -13.240 1.00 10.00 C ATOM 809 C GLY A 64 -10.808 6.931 -14.145 1.00 10.00 C ATOM 810 O GLY A 64 -11.425 6.226 -14.948 1.00 10.00 O ATOM 0 H GLY A 64 -10.541 8.108 -11.416 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.311 7.356 -12.681 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.068 8.636 -13.852 1.00 10.00 H new ATOM 814 N GLN A 65 -9.489 6.881 -14.011 1.00 10.00 N ATOM 815 CA GLN A 65 -8.671 5.997 -14.833 1.00 10.00 C ATOM 816 C GLN A 65 -8.092 4.859 -13.994 1.00 10.00 C ATOM 817 O GLN A 65 -7.696 5.074 -12.850 1.00 10.00 O ATOM 818 CB GLN A 65 -7.528 6.784 -15.486 1.00 10.00 C ATOM 819 CG GLN A 65 -7.934 8.162 -15.977 1.00 10.00 C ATOM 820 CD GLN A 65 -8.990 8.115 -17.061 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.031 7.191 -17.872 1.00 10.00 O ATOM 822 NE2 GLN A 65 -9.858 9.111 -17.072 1.00 10.00 N ATOM 0 H GLN A 65 -8.962 7.442 -13.341 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.308 5.574 -15.610 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.715 6.890 -14.767 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.138 6.210 -16.326 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.310 8.745 -15.136 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.054 8.681 -16.357 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -9.787 9.857 -16.380 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -10.599 9.134 -17.772 1.00 10.00 H new ATOM 831 N PRO A 66 -8.053 3.629 -14.535 1.00 10.00 N ATOM 832 CA PRO A 66 -7.493 2.479 -13.825 1.00 10.00 C ATOM 833 C PRO A 66 -5.980 2.610 -13.685 1.00 10.00 C ATOM 834 O PRO A 66 -5.278 2.828 -14.674 1.00 10.00 O ATOM 835 CB PRO A 66 -7.852 1.276 -14.711 1.00 10.00 C ATOM 836 CG PRO A 66 -8.821 1.790 -15.723 1.00 10.00 C ATOM 837 CD PRO A 66 -8.546 3.257 -15.867 1.00 10.00 C ATOM 0 HA PRO A 66 -7.885 2.386 -12.812 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.964 0.867 -15.193 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.293 0.473 -14.120 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.696 1.276 -16.676 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.848 1.617 -15.400 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.806 3.455 -16.642 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.445 3.812 -16.135 1.00 10.00 H new ATOM 845 N ILE A 67 -5.483 2.473 -12.465 1.00 10.00 N ATOM 846 CA ILE A 67 -4.055 2.609 -12.204 1.00 10.00 C ATOM 847 C ILE A 67 -3.270 1.406 -12.722 1.00 10.00 C ATOM 848 O ILE A 67 -3.661 0.254 -12.518 1.00 10.00 O ATOM 849 CB ILE A 67 -3.769 2.797 -10.698 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.696 3.866 -10.109 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.310 3.175 -10.476 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.521 4.068 -8.619 1.00 10.00 C ATOM 0 H ILE A 67 -6.046 2.268 -11.639 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.726 3.500 -12.740 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.961 1.853 -10.188 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.515 4.812 -10.619 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.731 3.588 -10.310 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.126 3.304 -9.409 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.667 2.385 -10.863 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.092 4.107 -10.997 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.210 4.839 -8.273 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.731 3.134 -8.098 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.496 4.377 -8.412 1.00 10.00 H new ATOM 864 N ASN A 68 -2.172 1.689 -13.410 1.00 10.00 N ATOM 865 CA ASN A 68 -1.306 0.654 -13.952 1.00 10.00 C ATOM 866 C ASN A 68 -0.222 0.303 -12.940 1.00 10.00 C ATOM 867 O ASN A 68 -0.018 1.024 -11.962 1.00 10.00 O ATOM 868 CB ASN A 68 -0.667 1.111 -15.268 1.00 10.00 C ATOM 869 CG ASN A 68 -1.620 1.025 -16.446 1.00 10.00 C ATOM 870 OD1 ASN A 68 -1.713 -0.009 -17.108 1.00 10.00 O ATOM 871 ND2 ASN A 68 -2.331 2.110 -16.719 1.00 10.00 N ATOM 0 H ASN A 68 -1.858 2.639 -13.607 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.910 -0.230 -14.154 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.321 2.139 -15.161 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.211 0.499 -15.472 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.984 2.108 -17.502 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -2.225 2.947 -16.146 1.00 10.00 H new ATOM 878 N GLU A 69 0.475 -0.798 -13.182 1.00 10.00 N ATOM 879 CA GLU A 69 1.534 -1.255 -12.285 1.00 10.00 C ATOM 880 C GLU A 69 2.869 -0.573 -12.583 1.00 10.00 C ATOM 881 O GLU A 69 3.860 -0.811 -11.890 1.00 10.00 O ATOM 882 CB GLU A 69 1.701 -2.770 -12.401 1.00 10.00 C ATOM 883 CG GLU A 69 0.525 -3.561 -11.853 1.00 10.00 C ATOM 884 CD GLU A 69 0.402 -4.930 -12.487 1.00 10.00 C ATOM 885 OE1 GLU A 69 0.958 -5.901 -11.932 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.251 -5.044 -13.547 1.00 10.00 O ATOM 0 H GLU A 69 0.327 -1.396 -13.995 1.00 10.00 H new ATOM 0 HA GLU A 69 1.238 -0.989 -11.270 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.845 -3.031 -13.449 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.606 -3.068 -11.871 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.637 -3.672 -10.774 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.395 -3.002 -12.022 1.00 10.00 H new ATOM 893 N THR A 70 2.896 0.276 -13.599 1.00 10.00 N ATOM 894 CA THR A 70 4.124 0.963 -13.981 1.00 10.00 C ATOM 895 C THR A 70 3.995 2.476 -13.835 1.00 10.00 C ATOM 896 O THR A 70 4.580 3.236 -14.611 1.00 10.00 O ATOM 897 CB THR A 70 4.488 0.632 -15.439 1.00 10.00 C ATOM 898 OG1 THR A 70 3.304 0.676 -16.248 1.00 10.00 O ATOM 899 CG2 THR A 70 5.130 -0.743 -15.545 1.00 10.00 C ATOM 0 H THR A 70 2.085 0.506 -14.173 1.00 10.00 H new ATOM 0 HA THR A 70 4.909 0.615 -13.310 1.00 10.00 H new ATOM 0 HB THR A 70 5.207 1.371 -15.792 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.535 0.467 -17.177 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.377 -0.950 -16.586 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.040 -0.767 -14.945 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.434 -1.498 -15.180 1.00 10.00 H new ATOM 907 N ASP A 71 3.255 2.917 -12.829 1.00 10.00 N ATOM 908 CA ASP A 71 3.050 4.347 -12.614 1.00 10.00 C ATOM 909 C ASP A 71 3.523 4.788 -11.239 1.00 10.00 C ATOM 910 O ASP A 71 3.545 4.002 -10.292 1.00 10.00 O ATOM 911 CB ASP A 71 1.572 4.710 -12.782 1.00 10.00 C ATOM 912 CG ASP A 71 1.176 4.886 -14.232 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.286 4.151 -14.702 1.00 10.00 O ATOM 914 OD2 ASP A 71 1.755 5.759 -14.909 1.00 10.00 O ATOM 0 H ASP A 71 2.789 2.313 -12.152 1.00 10.00 H new ATOM 0 HA ASP A 71 3.644 4.870 -13.364 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.957 3.930 -12.334 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.364 5.632 -12.238 1.00 10.00 H new ATOM 919 N THR A 72 3.906 6.051 -11.145 1.00 10.00 N ATOM 920 CA THR A 72 4.361 6.640 -9.895 1.00 10.00 C ATOM 921 C THR A 72 3.549 7.904 -9.620 1.00 10.00 C ATOM 922 O THR A 72 2.879 8.411 -10.524 1.00 10.00 O ATOM 923 CB THR A 72 5.859 7.002 -9.960 1.00 10.00 C ATOM 924 OG1 THR A 72 6.124 7.777 -11.132 1.00 10.00 O ATOM 925 CG2 THR A 72 6.728 5.754 -9.962 1.00 10.00 C ATOM 0 H THR A 72 3.910 6.698 -11.934 1.00 10.00 H new ATOM 0 HA THR A 72 4.221 5.912 -9.096 1.00 10.00 H new ATOM 0 HB THR A 72 6.103 7.587 -9.073 1.00 10.00 H new ATOM 0 HG1 THR A 72 7.077 8.004 -11.165 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.778 6.042 -10.008 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.548 5.184 -9.051 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.481 5.140 -10.828 1.00 10.00 H new ATOM 933 N PRO A 73 3.573 8.433 -8.383 1.00 10.00 N ATOM 934 CA PRO A 73 2.837 9.655 -8.047 1.00 10.00 C ATOM 935 C PRO A 73 3.257 10.823 -8.935 1.00 10.00 C ATOM 936 O PRO A 73 2.430 11.643 -9.334 1.00 10.00 O ATOM 937 CB PRO A 73 3.216 9.918 -6.585 1.00 10.00 C ATOM 938 CG PRO A 73 3.653 8.597 -6.059 1.00 10.00 C ATOM 939 CD PRO A 73 4.289 7.884 -7.217 1.00 10.00 C ATOM 0 HA PRO A 73 1.763 9.547 -8.196 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.014 10.657 -6.511 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.368 10.307 -6.021 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.360 8.718 -5.238 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.806 8.032 -5.670 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.360 8.081 -7.272 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.167 6.804 -7.141 1.00 10.00 H new ATOM 947 N ALA A 74 4.543 10.875 -9.262 1.00 10.00 N ATOM 948 CA ALA A 74 5.072 11.932 -10.107 1.00 10.00 C ATOM 949 C ALA A 74 4.684 11.719 -11.567 1.00 10.00 C ATOM 950 O ALA A 74 4.449 12.676 -12.297 1.00 10.00 O ATOM 951 CB ALA A 74 6.582 12.018 -9.970 1.00 10.00 C ATOM 0 H ALA A 74 5.237 10.195 -8.953 1.00 10.00 H new ATOM 0 HA ALA A 74 4.635 12.874 -9.776 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.961 12.815 -10.610 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.842 12.231 -8.933 1.00 10.00 H new ATOM 0 HB3 ALA A 74 7.029 11.070 -10.269 1.00 10.00 H new ATOM 957 N GLN A 75 4.614 10.457 -11.983 1.00 10.00 N ATOM 958 CA GLN A 75 4.249 10.118 -13.358 1.00 10.00 C ATOM 959 C GLN A 75 2.828 10.579 -13.672 1.00 10.00 C ATOM 960 O GLN A 75 2.530 11.001 -14.790 1.00 10.00 O ATOM 961 CB GLN A 75 4.365 8.606 -13.582 1.00 10.00 C ATOM 962 CG GLN A 75 3.899 8.144 -14.955 1.00 10.00 C ATOM 963 CD GLN A 75 4.918 8.402 -16.046 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.124 8.327 -15.817 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.441 8.713 -17.239 1.00 10.00 N ATOM 0 H GLN A 75 4.805 9.651 -11.388 1.00 10.00 H new ATOM 0 HA GLN A 75 4.938 10.633 -14.027 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.404 8.308 -13.443 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.781 8.091 -12.819 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.678 7.077 -14.917 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.969 8.653 -15.207 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.433 8.765 -17.388 1.00 10.00 H new ATOM 0 HE22 GLN A 75 5.081 8.901 -18.011 1.00 10.00 H new ATOM 974 N LEU A 76 1.957 10.503 -12.676 1.00 10.00 N ATOM 975 CA LEU A 76 0.567 10.905 -12.846 1.00 10.00 C ATOM 976 C LEU A 76 0.341 12.339 -12.372 1.00 10.00 C ATOM 977 O LEU A 76 -0.796 12.812 -12.344 1.00 10.00 O ATOM 978 CB LEU A 76 -0.353 9.947 -12.087 1.00 10.00 C ATOM 979 CG LEU A 76 -0.293 8.490 -12.548 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.227 7.627 -11.712 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.645 8.380 -14.023 1.00 10.00 C ATOM 0 H LEU A 76 2.188 10.167 -11.741 1.00 10.00 H new ATOM 0 HA LEU A 76 0.331 10.863 -13.909 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.100 9.988 -11.028 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.380 10.301 -12.183 1.00 10.00 H new ATOM 0 HG LEU A 76 0.726 8.129 -12.410 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.171 6.594 -12.054 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.930 7.679 -10.664 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.249 7.990 -11.818 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.597 7.336 -14.332 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.654 8.760 -14.186 1.00 10.00 H new ATOM 0 HD23 LEU A 76 0.062 8.965 -14.611 1.00 10.00 H new ATOM 993 N GLU A 77 1.432 13.024 -12.011 1.00 10.00 N ATOM 994 CA GLU A 77 1.373 14.411 -11.535 1.00 10.00 C ATOM 995 C GLU A 77 0.398 14.544 -10.364 1.00 10.00 C ATOM 996 O GLU A 77 -0.409 15.476 -10.304 1.00 10.00 O ATOM 997 CB GLU A 77 0.978 15.354 -12.677 1.00 10.00 C ATOM 998 CG GLU A 77 2.010 15.430 -13.791 1.00 10.00 C ATOM 999 CD GLU A 77 3.288 16.127 -13.366 1.00 10.00 C ATOM 1000 OE1 GLU A 77 4.365 15.499 -13.423 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.226 17.308 -12.968 1.00 10.00 O ATOM 0 H GLU A 77 2.375 12.636 -12.040 1.00 10.00 H new ATOM 0 HA GLU A 77 2.365 14.693 -11.182 1.00 10.00 H new ATOM 0 HB2 GLU A 77 0.027 15.024 -13.096 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.819 16.354 -12.272 1.00 10.00 H new ATOM 0 HG2 GLU A 77 2.247 14.421 -14.129 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.580 15.958 -14.642 1.00 10.00 H new ATOM 1008 N MET A 78 0.487 13.601 -9.437 1.00 10.00 N ATOM 1009 CA MET A 78 -0.376 13.583 -8.265 1.00 10.00 C ATOM 1010 C MET A 78 0.139 14.539 -7.201 1.00 10.00 C ATOM 1011 O MET A 78 1.307 14.935 -7.224 1.00 10.00 O ATOM 1012 CB MET A 78 -0.460 12.167 -7.691 1.00 10.00 C ATOM 1013 CG MET A 78 -1.151 11.176 -8.611 1.00 10.00 C ATOM 1014 SD MET A 78 -0.801 9.459 -8.178 1.00 10.00 S ATOM 1015 CE MET A 78 -1.474 9.385 -6.519 1.00 10.00 C ATOM 0 H MET A 78 1.155 12.831 -9.475 1.00 10.00 H new ATOM 0 HA MET A 78 -1.371 13.906 -8.571 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.548 11.810 -7.478 1.00 10.00 H new ATOM 0 HB3 MET A 78 -0.993 12.200 -6.741 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.228 11.343 -8.575 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.835 11.359 -9.638 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.463 8.353 -6.168 1.00 10.00 H new ATOM 0 HE2 MET A 78 -0.870 10.001 -5.853 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.499 9.755 -6.525 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.728 14.892 -6.266 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.369 15.801 -5.189 1.00 10.00 C ATOM 1027 C GLU A 79 -0.850 15.255 -3.851 1.00 10.00 C ATOM 1028 O GLU A 79 -1.407 14.160 -3.784 1.00 10.00 O ATOM 1029 CB GLU A 79 -0.954 17.196 -5.435 1.00 10.00 C ATOM 1030 CG GLU A 79 -0.182 18.007 -6.466 1.00 10.00 C ATOM 1031 CD GLU A 79 1.294 18.145 -6.132 1.00 10.00 C ATOM 1032 OE1 GLU A 79 1.663 18.019 -4.945 1.00 10.00 O ATOM 1033 OE2 GLU A 79 2.095 18.393 -7.058 1.00 10.00 O ATOM 0 H GLU A 79 -1.692 14.560 -6.231 1.00 10.00 H new ATOM 0 HA GLU A 79 0.717 15.885 -5.163 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -1.988 17.094 -5.765 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -0.972 17.744 -4.493 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -0.285 17.534 -7.443 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -0.625 19.000 -6.544 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.622 16.014 -2.790 1.00 10.00 N ATOM 1041 CA ASP A 80 -1.022 15.593 -1.454 1.00 10.00 C ATOM 1042 C ASP A 80 -2.541 15.647 -1.300 1.00 10.00 C ATOM 1043 O ASP A 80 -3.216 16.415 -1.994 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.349 16.472 -0.397 1.00 10.00 C ATOM 1045 CG ASP A 80 -0.148 15.756 0.926 1.00 10.00 C ATOM 1046 OD1 ASP A 80 0.950 15.196 1.144 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -1.077 15.759 1.758 1.00 10.00 O ATOM 0 H ASP A 80 -0.163 16.924 -2.827 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.701 14.562 -1.310 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.617 16.808 -0.773 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.955 17.363 -0.234 1.00 10.00 H new ATOM 1052 N GLU A 81 -3.062 14.808 -0.404 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.496 14.719 -0.119 1.00 10.00 C ATOM 1054 C GLU A 81 -5.274 14.085 -1.274 1.00 10.00 C ATOM 1055 O GLU A 81 -6.506 14.116 -1.290 1.00 10.00 O ATOM 1056 CB GLU A 81 -5.090 16.091 0.232 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.798 16.534 1.657 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.945 17.311 2.278 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -5.679 18.262 3.043 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -7.119 16.967 2.012 1.00 10.00 O ATOM 0 H GLU A 81 -2.496 14.165 0.150 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.597 14.068 0.750 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.696 16.836 -0.459 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.169 16.059 0.084 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.586 15.657 2.269 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -3.900 17.152 1.664 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.560 13.500 -2.230 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.209 12.849 -3.363 1.00 10.00 C ATOM 1069 C ASP A 82 -5.888 11.568 -2.896 1.00 10.00 C ATOM 1070 O ASP A 82 -5.397 10.903 -1.986 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.197 12.544 -4.470 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.214 13.586 -5.572 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.239 14.288 -5.718 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.207 13.709 -6.300 1.00 10.00 O ATOM 0 H ASP A 82 -3.541 13.463 -2.244 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.960 13.525 -3.772 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.197 12.491 -4.040 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.413 11.564 -4.896 1.00 10.00 H new ATOM 1079 N THR A 83 -7.014 11.221 -3.506 1.00 10.00 N ATOM 1080 CA THR A 83 -7.753 10.031 -3.101 1.00 10.00 C ATOM 1081 C THR A 83 -7.717 8.931 -4.157 1.00 10.00 C ATOM 1082 O THR A 83 -7.953 9.178 -5.339 1.00 10.00 O ATOM 1083 CB THR A 83 -9.221 10.378 -2.800 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.314 11.731 -2.339 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.799 9.441 -1.748 1.00 10.00 C ATOM 0 H THR A 83 -7.433 11.741 -4.277 1.00 10.00 H new ATOM 0 HA THR A 83 -7.261 9.659 -2.202 1.00 10.00 H new ATOM 0 HB THR A 83 -9.795 10.261 -3.719 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.251 11.949 -2.150 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.838 9.708 -1.554 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.750 8.414 -2.109 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.223 9.529 -0.827 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.413 7.717 -3.711 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.367 6.553 -4.587 1.00 10.00 C ATOM 1095 C ILE A 84 -8.631 5.723 -4.386 1.00 10.00 C ATOM 1096 O ILE A 84 -9.009 5.420 -3.250 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.123 5.670 -4.317 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -4.835 6.470 -4.537 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.135 4.432 -5.207 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.220 6.995 -3.259 1.00 10.00 C ATOM 0 H ILE A 84 -7.192 7.513 -2.736 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.302 6.910 -5.615 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.157 5.347 -3.277 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.108 5.838 -5.047 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.048 7.309 -5.199 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.252 3.827 -5.000 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.032 3.847 -5.004 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.129 4.736 -6.254 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.312 7.551 -3.494 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.929 7.654 -2.758 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.975 6.160 -2.603 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.285 5.367 -5.481 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.516 4.587 -5.418 1.00 10.00 C ATOM 1114 C ASP A 85 -10.228 3.095 -5.480 1.00 10.00 C ATOM 1115 O ASP A 85 -9.557 2.620 -6.400 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.453 4.971 -6.565 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.241 6.232 -6.284 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.119 6.207 -5.397 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -11.994 7.256 -6.957 1.00 10.00 O ATOM 0 H ASP A 85 -8.985 5.605 -6.426 1.00 10.00 H new ATOM 0 HA ASP A 85 -10.997 4.810 -4.466 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -10.868 5.109 -7.475 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.145 4.150 -6.752 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.729 2.361 -4.497 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.548 0.916 -4.450 1.00 10.00 C ATOM 1126 C VAL A 86 -11.873 0.223 -4.747 1.00 10.00 C ATOM 1127 O VAL A 86 -12.832 0.336 -3.983 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.016 0.446 -3.080 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.688 -1.041 -3.110 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.793 1.253 -2.676 1.00 10.00 C ATOM 0 H VAL A 86 -11.266 2.743 -3.718 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.807 0.650 -5.204 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.797 0.609 -2.337 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.315 -1.351 -2.134 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.588 -1.607 -3.351 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.927 -1.230 -3.867 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.432 0.907 -1.707 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.009 1.124 -3.422 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.059 2.308 -2.608 1.00 10.00 H new ATOM 1140 N PHE A 87 -11.922 -0.484 -5.863 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.129 -1.184 -6.280 1.00 10.00 C ATOM 1142 C PHE A 87 -12.931 -2.694 -6.224 1.00 10.00 C ATOM 1143 O PHE A 87 -11.833 -3.178 -5.948 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.521 -0.764 -7.698 1.00 10.00 C ATOM 1145 CG PHE A 87 -13.842 0.695 -7.824 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -14.947 1.230 -7.186 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.041 1.529 -8.582 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.248 2.572 -7.303 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.336 2.871 -8.702 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.440 3.394 -8.060 1.00 10.00 C ATOM 0 H PHE A 87 -11.134 -0.590 -6.502 1.00 10.00 H new ATOM 0 HA PHE A 87 -13.930 -0.915 -5.592 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -12.706 -1.008 -8.379 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.386 -1.347 -8.015 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -15.581 0.591 -6.590 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.175 1.125 -9.086 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.115 2.978 -6.803 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -12.703 3.512 -9.298 1.00 10.00 H new ATOM 0 HZ PHE A 87 -14.671 4.445 -8.150 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.995 -3.430 -6.509 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.955 -4.886 -6.488 1.00 10.00 C ATOM 1162 C GLN A 88 -14.288 -5.453 -7.861 1.00 10.00 C ATOM 1163 O GLN A 88 -15.077 -4.869 -8.607 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.945 -5.427 -5.454 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.364 -5.547 -4.055 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.986 -6.973 -3.706 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.650 -7.773 -4.580 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -14.039 -7.301 -2.427 1.00 10.00 N ATOM 0 H GLN A 88 -14.904 -3.040 -6.759 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.946 -5.195 -6.216 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.816 -4.772 -5.421 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -15.295 -6.407 -5.778 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -13.483 -4.911 -3.975 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.090 -5.179 -3.330 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -14.322 -6.608 -1.734 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -13.796 -8.247 -2.133 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.678 -6.581 -8.200 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.927 -7.226 -9.482 1.00 10.00 C ATOM 1179 C GLN A 89 -15.211 -8.047 -9.418 1.00 10.00 C ATOM 1180 O GLN A 89 -15.528 -8.646 -8.387 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.738 -8.114 -9.874 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.894 -8.809 -11.220 1.00 10.00 C ATOM 1183 CD GLN A 89 -13.237 -7.848 -12.343 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.827 -6.686 -12.337 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -14.002 -8.320 -13.312 1.00 10.00 N ATOM 0 H GLN A 89 -13.008 -7.068 -7.605 1.00 10.00 H new ATOM 0 HA GLN A 89 -14.046 -6.456 -10.244 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.835 -7.504 -9.895 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.594 -8.870 -9.102 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.968 -9.330 -11.464 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.675 -9.566 -11.144 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -14.323 -9.288 -13.283 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -14.272 -7.716 -14.089 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.950 -8.056 -10.522 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.202 -8.792 -10.610 1.00 10.00 C ATOM 1196 C GLN A 90 -16.963 -10.292 -10.470 1.00 10.00 C ATOM 1197 O GLN A 90 -16.008 -10.835 -11.029 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.903 -8.505 -11.941 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.420 -7.080 -12.071 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.363 -6.116 -12.567 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.460 -6.491 -13.317 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.462 -4.868 -12.145 1.00 10.00 N ATOM 0 H GLN A 90 -15.699 -7.556 -11.375 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.841 -8.461 -9.791 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.208 -8.705 -12.757 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.738 -9.196 -12.057 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.268 -7.067 -12.756 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.788 -6.742 -11.102 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.225 -4.599 -11.524 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -16.775 -4.174 -12.440 1.00 10.00 H new ATOM 1211 N THR A 91 -17.838 -10.950 -9.725 1.00 10.00 N ATOM 1212 CA THR A 91 -17.736 -12.381 -9.497 1.00 10.00 C ATOM 1213 C THR A 91 -18.231 -13.168 -10.708 1.00 10.00 C ATOM 1214 O THR A 91 -17.763 -14.275 -10.981 1.00 10.00 O ATOM 1215 CB THR A 91 -18.556 -12.778 -8.259 1.00 10.00 C ATOM 1216 OG1 THR A 91 -19.674 -11.883 -8.121 1.00 10.00 O ATOM 1217 CG2 THR A 91 -17.697 -12.723 -7.005 1.00 10.00 C ATOM 0 H THR A 91 -18.634 -10.509 -9.264 1.00 10.00 H new ATOM 0 HA THR A 91 -16.685 -12.620 -9.333 1.00 10.00 H new ATOM 0 HB THR A 91 -18.914 -13.800 -8.387 1.00 10.00 H new ATOM 0 HG1 THR A 91 -20.200 -12.135 -7.333 1.00 10.00 H new ATOM 0 HG21 THR A 91 -18.297 -13.008 -6.140 1.00 10.00 H new ATOM 0 HG22 THR A 91 -16.859 -13.412 -7.108 1.00 10.00 H new ATOM 0 HG23 THR A 91 -17.319 -11.710 -6.867 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.182 -12.590 -11.430 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.729 -13.249 -12.599 1.00 10.00 C ATOM 1227 C GLY A 92 -20.959 -14.071 -12.269 1.00 10.00 C ATOM 1228 O GLY A 92 -21.575 -13.876 -11.218 1.00 10.00 O ATOM 0 H GLY A 92 -19.585 -11.675 -11.226 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.984 -12.501 -13.350 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -18.969 -13.895 -13.039 1.00 10.00 H new ATOM 1233 N ASP B 195 -13.352 6.113 14.961 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.686 5.572 13.652 1.00 10.00 C ATOM 1235 C ASP B 195 -12.554 4.679 13.162 1.00 10.00 C ATOM 1236 O ASP B 195 -11.944 3.966 13.961 1.00 10.00 O ATOM 1237 CB ASP B 195 -13.941 6.702 12.658 1.00 10.00 C ATOM 1238 CG ASP B 195 -14.989 6.330 11.630 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -16.187 6.623 11.858 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -14.626 5.750 10.587 1.00 10.00 O ATOM 0 HA ASP B 195 -14.596 4.978 13.735 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.263 7.593 13.197 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.010 6.955 12.151 1.00 10.00 H new ATOM 1245 N THR B 196 -12.252 4.721 11.868 1.00 10.00 N ATOM 1246 CA THR B 196 -11.178 3.902 11.348 1.00 10.00 C ATOM 1247 C THR B 196 -10.085 4.754 10.716 1.00 10.00 C ATOM 1248 O THR B 196 -10.330 5.524 9.780 1.00 10.00 O ATOM 1249 CB THR B 196 -11.714 2.925 10.289 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.129 2.730 10.470 1.00 10.00 O ATOM 1251 CG2 THR B 196 -10.989 1.589 10.379 1.00 10.00 C ATOM 0 H THR B 196 -12.728 5.302 11.178 1.00 10.00 H new ATOM 0 HA THR B 196 -10.757 3.349 12.188 1.00 10.00 H new ATOM 0 HB THR B 196 -11.535 3.351 9.302 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.463 2.108 9.791 1.00 10.00 H new ATOM 0 HG21 THR B 196 -11.382 0.910 9.622 1.00 10.00 H new ATOM 0 HG22 THR B 196 -9.923 1.742 10.212 1.00 10.00 H new ATOM 0 HG23 THR B 196 -11.143 1.157 11.368 1.00 10.00 H new ATOM 1259 N ALA B 197 -8.876 4.614 11.231 1.00 10.00 N ATOM 1260 CA ALA B 197 -7.736 5.332 10.699 1.00 10.00 C ATOM 1261 C ALA B 197 -6.616 4.356 10.387 1.00 10.00 C ATOM 1262 O ALA B 197 -6.157 3.639 11.275 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.267 6.391 11.683 1.00 10.00 C ATOM 0 H ALA B 197 -8.660 4.006 12.021 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.031 5.835 9.778 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.410 6.920 11.267 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.075 7.098 11.869 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -6.979 5.915 12.620 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.145 4.366 9.160 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.087 3.462 8.769 1.00 10.00 C ATOM 1271 C GLY B 198 -3.891 4.187 8.189 1.00 10.00 C ATOM 1272 O GLY B 198 -4.060 5.043 7.337 1.00 10.00 O ATOM 0 H GLY B 198 -6.475 4.986 8.420 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -4.771 2.881 9.635 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.471 2.755 8.034 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.690 3.883 8.656 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.505 4.526 8.108 1.00 10.00 C ATOM 1278 C CYS B 199 -0.543 3.488 7.537 1.00 10.00 C ATOM 1279 O CYS B 199 -0.120 2.558 8.230 1.00 10.00 O ATOM 1280 CB CYS B 199 -0.805 5.360 9.184 1.00 10.00 C ATOM 1281 SG CYS B 199 -1.697 6.860 9.651 1.00 10.00 S ATOM 0 H CYS B 199 -2.511 3.208 9.399 1.00 10.00 H new ATOM 0 HA CYS B 199 -1.818 5.187 7.300 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.663 4.743 10.071 1.00 10.00 H new ATOM 0 HB3 CYS B 199 0.187 5.636 8.826 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.028 7.495 10.567 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.209 3.643 6.262 1.00 10.00 N ATOM 1288 CA ILE B 200 0.718 2.739 5.591 1.00 10.00 C ATOM 1289 C ILE B 200 1.855 3.520 4.935 1.00 10.00 C ATOM 1290 O ILE B 200 1.607 4.474 4.195 1.00 10.00 O ATOM 1291 CB ILE B 200 0.002 1.866 4.535 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.129 1.068 5.193 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.991 0.925 3.857 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.782 0.065 4.270 1.00 10.00 C ATOM 0 H ILE B 200 -0.568 4.391 5.669 1.00 10.00 H new ATOM 0 HA ILE B 200 1.132 2.078 6.352 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.424 2.520 3.774 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -0.733 0.544 6.063 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -1.887 1.762 5.556 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.468 0.319 3.117 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.769 1.508 3.364 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.445 0.274 4.604 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.572 -0.461 4.805 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.209 0.584 3.412 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.037 -0.652 3.926 1.00 10.00 H new ATOM 1306 N VAL B 201 3.095 3.130 5.194 1.00 10.00 N ATOM 1307 CA VAL B 201 4.242 3.797 4.590 1.00 10.00 C ATOM 1308 C VAL B 201 5.069 2.800 3.785 1.00 10.00 C ATOM 1309 O VAL B 201 5.439 1.736 4.289 1.00 10.00 O ATOM 1310 CB VAL B 201 5.132 4.494 5.651 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.542 3.522 6.749 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.360 5.125 5.001 1.00 10.00 C ATOM 0 H VAL B 201 3.333 2.358 5.816 1.00 10.00 H new ATOM 0 HA VAL B 201 3.857 4.569 3.924 1.00 10.00 H new ATOM 0 HB VAL B 201 4.543 5.288 6.109 1.00 10.00 H new ATOM 0 HG11 VAL B 201 6.165 4.039 7.479 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.651 3.134 7.243 1.00 10.00 H new ATOM 0 HG13 VAL B 201 6.103 2.696 6.313 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.969 5.608 5.766 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.947 4.352 4.505 1.00 10.00 H new ATOM 0 HG23 VAL B 201 6.043 5.867 4.268 1.00 10.00 H new ATOM 1322 N ILE B 202 5.336 3.122 2.529 1.00 10.00 N ATOM 1323 CA ILE B 202 6.123 2.248 1.672 1.00 10.00 C ATOM 1324 C ILE B 202 7.348 2.979 1.134 1.00 10.00 C ATOM 1325 O ILE B 202 7.244 4.097 0.620 1.00 10.00 O ATOM 1326 CB ILE B 202 5.297 1.667 0.494 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.951 2.760 -0.525 1.00 10.00 C ATOM 1328 CG2 ILE B 202 4.035 0.988 1.008 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.823 2.401 -1.467 1.00 10.00 C ATOM 0 H ILE B 202 5.020 3.982 2.080 1.00 10.00 H new ATOM 0 HA ILE B 202 6.443 1.411 2.293 1.00 10.00 H new ATOM 0 HB ILE B 202 5.907 0.918 -0.011 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.684 3.670 0.013 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.841 2.987 -1.113 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.469 0.587 0.167 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.308 0.176 1.682 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.423 1.714 1.543 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.644 3.229 -2.153 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.093 1.511 -2.035 1.00 10.00 H new ATOM 0 HD13 ILE B 202 2.918 2.204 -0.892 1.00 10.00 H new