USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 961 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 100 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 104 MET CE :methyl -134:sc= -2.76! (180deg=-4.39!) USER MOD Set 2.1: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000851) USER MOD Single : A 14 HIS : no HD1:sc= -3.62 K(o=-3.6,f=-4.2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-8.4!) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0073 (180deg=-0.155) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -120:sc= 0.0262 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.055) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 58 ASN : amide:sc= -1.34! C(o=-1.3!,f=-2.9!) USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= 0.353 (180deg=-0.741) USER MOD Single : A 62 CYS SG : rot -68:sc= 0.372 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.337 F(o=-0.92,f=-0.34) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.105 USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= -0.0148 (180deg=-0.0345) USER MOD Single : A 87 MET CE :methyl 159:sc= -2.3! (180deg=-2.96!) USER MOD Single : A 91 TYR OH : rot 120:sc= -0.216 USER MOD Single : A 94 CYS SG : rot -120:sc= -1.17 USER MOD Single : A 95 GLN : amide:sc= 0.0606 X(o=0.061,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.9) USER MOD Single : A 99 GLN : amide:sc= -0.0509 X(o=-0.051,f=-0.23) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 103:sc=0.000344 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 116 MET CE :methyl 165:sc= -0.712 (180deg=-1.41) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.5!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 16.767 -2.508 8.663 1.00 0.00 N ATOM 67 CA ILE A 8 15.341 -2.289 8.875 1.00 0.00 C ATOM 68 C ILE A 8 14.513 -2.974 7.793 1.00 0.00 C ATOM 69 O ILE A 8 14.828 -2.914 6.604 1.00 0.00 O ATOM 70 CB ILE A 8 14.999 -0.787 8.893 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.765 -0.081 10.014 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.500 -0.588 9.060 1.00 0.00 C ATOM 73 CD1 ILE A 8 15.367 1.366 10.199 1.00 0.00 C ATOM 0 HA ILE A 8 15.096 -2.721 9.845 1.00 0.00 H new ATOM 0 HB ILE A 8 15.300 -0.348 7.942 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.601 -0.617 10.949 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.833 -0.131 9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.273 0.478 9.071 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.975 -1.062 8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.176 -1.037 9.999 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.950 1.803 11.010 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.557 1.916 9.278 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.306 1.423 10.443 1.00 0.00 H new ATOM 85 N PRO A 9 13.427 -3.640 8.213 1.00 0.00 N ATOM 86 CA PRO A 9 12.530 -4.348 7.295 1.00 0.00 C ATOM 87 C PRO A 9 11.726 -3.394 6.419 1.00 0.00 C ATOM 88 O PRO A 9 10.838 -2.692 6.903 1.00 0.00 O ATOM 89 CB PRO A 9 11.601 -5.122 8.234 1.00 0.00 C ATOM 90 CG PRO A 9 11.614 -4.345 9.505 1.00 0.00 C ATOM 91 CD PRO A 9 12.992 -3.754 9.615 1.00 0.00 C ATOM 0 HA PRO A 9 13.078 -4.981 6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.594 -5.193 7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.955 -6.141 8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.854 -3.564 9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.396 -4.988 10.358 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.975 -2.783 10.111 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.659 -4.394 10.192 1.00 0.00 H new ATOM 99 N GLU A 10 12.043 -3.373 5.128 1.00 0.00 N ATOM 100 CA GLU A 10 11.350 -2.503 4.185 1.00 0.00 C ATOM 101 C GLU A 10 10.870 -3.291 2.970 1.00 0.00 C ATOM 102 O GLU A 10 11.518 -4.246 2.540 1.00 0.00 O ATOM 103 CB GLU A 10 12.268 -1.364 3.738 1.00 0.00 C ATOM 104 CG GLU A 10 12.443 -0.277 4.785 1.00 0.00 C ATOM 105 CD GLU A 10 13.030 0.998 4.210 1.00 0.00 C ATOM 106 OE1 GLU A 10 12.303 1.711 3.487 1.00 0.00 O ATOM 107 OE2 GLU A 10 14.215 1.282 4.482 1.00 0.00 O ATOM 0 H GLU A 10 12.775 -3.948 4.711 1.00 0.00 H new ATOM 0 HA GLU A 10 10.481 -2.082 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.246 -1.774 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.865 -0.919 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.477 -0.056 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.091 -0.645 5.580 1.00 0.00 H new ATOM 114 N LEU A 11 9.730 -2.885 2.422 1.00 0.00 N ATOM 115 CA LEU A 11 9.161 -3.553 1.256 1.00 0.00 C ATOM 116 C LEU A 11 9.449 -2.764 -0.017 1.00 0.00 C ATOM 117 O LEU A 11 9.442 -1.533 -0.013 1.00 0.00 O ATOM 118 CB LEU A 11 7.652 -3.729 1.430 1.00 0.00 C ATOM 119 CG LEU A 11 7.199 -5.038 2.078 1.00 0.00 C ATOM 120 CD1 LEU A 11 5.908 -4.832 2.854 1.00 0.00 C ATOM 121 CD2 LEU A 11 7.023 -6.122 1.025 1.00 0.00 C ATOM 0 H LEU A 11 9.181 -2.097 2.766 1.00 0.00 H new ATOM 0 HA LEU A 11 9.627 -4.534 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.277 -2.901 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.182 -3.650 0.450 1.00 0.00 H new ATOM 0 HG LEU A 11 7.971 -5.360 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.602 -5.775 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.068 -4.088 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.128 -4.485 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.700 -7.046 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.271 -5.807 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.971 -6.290 0.514 1.00 0.00 H new ATOM 133 N LYS A 12 9.699 -3.481 -1.108 1.00 0.00 N ATOM 134 CA LYS A 12 9.986 -2.849 -2.390 1.00 0.00 C ATOM 135 C LYS A 12 9.199 -3.518 -3.513 1.00 0.00 C ATOM 136 O LYS A 12 9.514 -4.635 -3.924 1.00 0.00 O ATOM 137 CB LYS A 12 11.484 -2.917 -2.692 1.00 0.00 C ATOM 138 CG LYS A 12 12.352 -2.317 -1.600 1.00 0.00 C ATOM 139 CD LYS A 12 12.301 -0.798 -1.619 1.00 0.00 C ATOM 140 CE LYS A 12 13.594 -0.190 -1.096 1.00 0.00 C ATOM 141 NZ LYS A 12 13.591 -0.072 0.389 1.00 0.00 N ATOM 0 H LYS A 12 9.709 -4.501 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 12 9.682 -1.804 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.769 -3.958 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.681 -2.396 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.019 -2.681 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.382 -2.649 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.120 -0.452 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.464 -0.453 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.437 -0.805 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.737 0.796 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.496 0.331 0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.812 0.549 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.464 -1.014 0.812 1.00 0.00 H new ATOM 155 N ASP A 13 8.178 -2.827 -4.007 1.00 0.00 N ATOM 156 CA ASP A 13 7.348 -3.353 -5.085 1.00 0.00 C ATOM 157 C ASP A 13 6.370 -2.295 -5.584 1.00 0.00 C ATOM 158 O ASP A 13 5.800 -1.540 -4.795 1.00 0.00 O ATOM 159 CB ASP A 13 6.583 -4.590 -4.611 1.00 0.00 C ATOM 160 CG ASP A 13 7.370 -5.870 -4.811 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.833 -6.110 -5.946 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.522 -6.632 -3.833 1.00 0.00 O ATOM 0 H ASP A 13 7.905 -1.901 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 13 8.003 -3.634 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.338 -4.479 -3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.639 -4.659 -5.152 1.00 0.00 H new ATOM 167 N HIS A 14 6.181 -2.243 -6.899 1.00 0.00 N ATOM 168 CA HIS A 14 5.272 -1.276 -7.503 1.00 0.00 C ATOM 169 C HIS A 14 3.884 -1.881 -7.694 1.00 0.00 C ATOM 170 O HIS A 14 3.696 -2.785 -8.509 1.00 0.00 O ATOM 171 CB HIS A 14 5.822 -0.799 -8.848 1.00 0.00 C ATOM 172 CG HIS A 14 4.828 -0.033 -9.664 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.332 -0.488 -10.868 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.235 1.164 -9.443 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.478 0.396 -11.352 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.401 1.408 -10.506 1.00 0.00 N ATOM 0 H HIS A 14 6.645 -2.859 -7.566 1.00 0.00 H new ATOM 0 HA HIS A 14 5.188 -0.423 -6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.696 -0.171 -8.672 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.160 -1.663 -9.420 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.389 1.807 -8.589 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.935 0.307 -12.281 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.817 2.236 -10.624 1.00 0.00 H new ATOM 185 N LEU A 15 2.916 -1.377 -6.938 1.00 0.00 N ATOM 186 CA LEU A 15 1.545 -1.868 -7.023 1.00 0.00 C ATOM 187 C LEU A 15 0.764 -1.120 -8.099 1.00 0.00 C ATOM 188 O LEU A 15 1.322 -0.296 -8.824 1.00 0.00 O ATOM 189 CB LEU A 15 0.844 -1.718 -5.671 1.00 0.00 C ATOM 190 CG LEU A 15 1.578 -2.304 -4.465 1.00 0.00 C ATOM 191 CD1 LEU A 15 1.147 -1.606 -3.185 1.00 0.00 C ATOM 192 CD2 LEU A 15 1.331 -3.803 -4.367 1.00 0.00 C ATOM 0 H LEU A 15 3.055 -0.629 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 15 1.579 -2.924 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.675 -0.657 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.136 -2.190 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 15 2.647 -2.140 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.681 -2.037 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.377 -0.543 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.074 -1.737 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.861 -4.203 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.263 -3.989 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.692 -4.291 -5.272 1.00 0.00 H new ATOM 204 N ARG A 16 -0.529 -1.411 -8.195 1.00 0.00 N ATOM 205 CA ARG A 16 -1.386 -0.765 -9.182 1.00 0.00 C ATOM 206 C ARG A 16 -1.851 0.601 -8.687 1.00 0.00 C ATOM 207 O ARG A 16 -2.569 0.700 -7.692 1.00 0.00 O ATOM 208 CB ARG A 16 -2.597 -1.647 -9.491 1.00 0.00 C ATOM 209 CG ARG A 16 -2.327 -2.703 -10.550 1.00 0.00 C ATOM 210 CD ARG A 16 -3.603 -3.105 -11.274 1.00 0.00 C ATOM 211 NE ARG A 16 -3.425 -4.323 -12.060 1.00 0.00 N ATOM 212 CZ ARG A 16 -2.930 -4.337 -13.292 1.00 0.00 C ATOM 213 NH1 ARG A 16 -2.565 -3.205 -13.877 1.00 0.00 N ATOM 214 NH2 ARG A 16 -2.799 -5.486 -13.943 1.00 0.00 N ATOM 0 H ARG A 16 -1.006 -2.090 -7.602 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.806 -0.623 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.921 -2.139 -8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.421 -1.015 -9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.604 -2.321 -11.270 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.880 -3.581 -10.084 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.400 -3.256 -10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.919 -2.293 -11.929 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.696 -5.212 -11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.664 -2.319 -13.381 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.185 -3.219 -14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.079 -6.360 -13.497 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.419 -5.495 -14.889 1.00 0.00 H new ATOM 228 N ILE A 17 -1.436 1.651 -9.387 1.00 0.00 N ATOM 229 CA ILE A 17 -1.810 3.011 -9.019 1.00 0.00 C ATOM 230 C ILE A 17 -2.535 3.710 -10.164 1.00 0.00 C ATOM 231 O ILE A 17 -2.017 3.803 -11.277 1.00 0.00 O ATOM 232 CB ILE A 17 -0.579 3.846 -8.620 1.00 0.00 C ATOM 233 CG1 ILE A 17 -0.037 3.380 -7.267 1.00 0.00 C ATOM 234 CG2 ILE A 17 -0.934 5.324 -8.575 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.085 4.245 -6.736 1.00 0.00 C ATOM 0 H ILE A 17 -0.840 1.586 -10.212 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.479 2.933 -8.162 1.00 0.00 H new ATOM 0 HB ILE A 17 0.199 3.703 -9.370 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.851 3.370 -6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.319 2.354 -7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.054 5.901 -8.292 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.278 5.646 -9.558 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.725 5.486 -7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.420 3.856 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.916 4.236 -7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.728 5.267 -6.610 1.00 0.00 H new ATOM 247 N PHE A 18 -3.737 4.203 -9.883 1.00 0.00 N ATOM 248 CA PHE A 18 -4.534 4.896 -10.889 1.00 0.00 C ATOM 249 C PHE A 18 -5.123 6.185 -10.323 1.00 0.00 C ATOM 250 O PHE A 18 -5.683 6.195 -9.227 1.00 0.00 O ATOM 251 CB PHE A 18 -5.657 3.988 -11.394 1.00 0.00 C ATOM 252 CG PHE A 18 -6.624 4.683 -12.309 1.00 0.00 C ATOM 253 CD1 PHE A 18 -6.200 5.205 -13.521 1.00 0.00 C ATOM 254 CD2 PHE A 18 -7.958 4.815 -11.958 1.00 0.00 C ATOM 255 CE1 PHE A 18 -7.087 5.845 -14.365 1.00 0.00 C ATOM 256 CE2 PHE A 18 -8.850 5.454 -12.798 1.00 0.00 C ATOM 257 CZ PHE A 18 -8.414 5.970 -14.003 1.00 0.00 C ATOM 0 H PHE A 18 -4.180 4.135 -8.967 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.880 5.151 -11.722 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.219 3.139 -11.919 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.202 3.588 -10.539 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.163 5.110 -13.809 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.305 4.414 -11.017 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.743 6.247 -15.307 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.887 5.550 -12.513 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.109 6.470 -14.661 1.00 0.00 H new ATOM 267 N ARG A 19 -4.991 7.270 -11.079 1.00 0.00 N ATOM 268 CA ARG A 19 -5.508 8.565 -10.653 1.00 0.00 C ATOM 269 C ARG A 19 -6.259 9.251 -11.790 1.00 0.00 C ATOM 270 O ARG A 19 -5.691 10.017 -12.569 1.00 0.00 O ATOM 271 CB ARG A 19 -4.366 9.460 -10.169 1.00 0.00 C ATOM 272 CG ARG A 19 -3.900 9.143 -8.757 1.00 0.00 C ATOM 273 CD ARG A 19 -2.570 9.812 -8.446 1.00 0.00 C ATOM 274 NE ARG A 19 -1.543 9.470 -9.426 1.00 0.00 N ATOM 275 CZ ARG A 19 -0.337 10.027 -9.453 1.00 0.00 C ATOM 276 NH1 ARG A 19 -0.010 10.948 -8.557 1.00 0.00 N ATOM 277 NH2 ARG A 19 0.543 9.663 -10.376 1.00 0.00 N ATOM 0 H ARG A 19 -4.531 7.278 -11.989 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.203 8.398 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.523 9.360 -10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.688 10.500 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.652 9.475 -8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.802 8.064 -8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.705 10.893 -8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.237 9.512 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.764 8.764 -10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.685 11.230 -7.846 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.916 11.375 -8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.294 8.955 -11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.468 10.092 -10.395 1.00 0.00 H new ATOM 291 N PRO A 20 -7.567 8.971 -11.889 1.00 0.00 N ATOM 292 CA PRO A 20 -8.424 9.551 -12.927 1.00 0.00 C ATOM 293 C PRO A 20 -8.660 11.043 -12.719 1.00 0.00 C ATOM 294 O PRO A 20 -9.099 11.745 -13.629 1.00 0.00 O ATOM 295 CB PRO A 20 -9.736 8.776 -12.778 1.00 0.00 C ATOM 296 CG PRO A 20 -9.747 8.320 -11.359 1.00 0.00 C ATOM 297 CD PRO A 20 -8.310 8.067 -10.995 1.00 0.00 C ATOM 0 HA PRO A 20 -7.975 9.470 -13.917 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.596 9.408 -12.997 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.777 7.931 -13.466 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.187 9.077 -10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.344 7.415 -11.244 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.116 8.290 -9.946 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.032 7.025 -11.156 1.00 0.00 H new ATOM 432 N TYR A 28 -2.727 2.980 -16.105 1.00 0.00 N ATOM 433 CA TYR A 28 -1.702 2.876 -15.073 1.00 0.00 C ATOM 434 C TYR A 28 -0.329 3.244 -15.630 1.00 0.00 C ATOM 435 O TYR A 28 -0.073 3.102 -16.825 1.00 0.00 O ATOM 436 CB TYR A 28 -1.668 1.459 -14.499 1.00 0.00 C ATOM 437 CG TYR A 28 -2.890 1.108 -13.680 1.00 0.00 C ATOM 438 CD1 TYR A 28 -4.037 0.612 -14.286 1.00 0.00 C ATOM 439 CD2 TYR A 28 -2.896 1.272 -12.300 1.00 0.00 C ATOM 440 CE1 TYR A 28 -5.156 0.291 -13.542 1.00 0.00 C ATOM 441 CE2 TYR A 28 -4.010 0.952 -11.548 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.138 0.463 -12.174 1.00 0.00 C ATOM 443 OH TYR A 28 -6.250 0.143 -11.429 1.00 0.00 O ATOM 0 HA TYR A 28 -1.952 3.577 -14.277 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.573 0.746 -15.318 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.780 1.349 -13.877 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.054 0.475 -15.357 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.015 1.656 -11.807 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.040 -0.093 -14.029 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.998 1.084 -10.476 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.072 0.322 -10.482 1.00 0.00 H new ATOM 453 N ARG A 29 0.549 3.719 -14.753 1.00 0.00 N ATOM 454 CA ARG A 29 1.896 4.108 -15.155 1.00 0.00 C ATOM 455 C ARG A 29 2.939 3.504 -14.219 1.00 0.00 C ATOM 456 O ARG A 29 2.828 3.614 -12.998 1.00 0.00 O ATOM 457 CB ARG A 29 2.027 5.632 -15.166 1.00 0.00 C ATOM 458 CG ARG A 29 3.434 6.120 -15.469 1.00 0.00 C ATOM 459 CD ARG A 29 3.670 6.241 -16.967 1.00 0.00 C ATOM 460 NE ARG A 29 5.009 6.739 -17.271 1.00 0.00 N ATOM 461 CZ ARG A 29 6.114 6.020 -17.111 1.00 0.00 C ATOM 462 NH1 ARG A 29 6.040 4.778 -16.652 1.00 0.00 N ATOM 463 NH2 ARG A 29 7.297 6.543 -17.410 1.00 0.00 N ATOM 0 H ARG A 29 0.352 3.844 -13.760 1.00 0.00 H new ATOM 0 HA ARG A 29 2.072 3.727 -16.161 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.342 6.042 -15.908 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.717 6.022 -14.196 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.595 7.088 -14.995 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.160 5.430 -15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.530 5.267 -17.436 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.927 6.912 -17.398 1.00 0.00 H new ATOM 0 HE ARG A 29 5.100 7.691 -17.626 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.133 4.373 -16.421 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.890 4.228 -16.530 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.358 7.498 -17.763 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.145 5.990 -17.287 1.00 0.00 H new ATOM 477 N GLN A 30 3.949 2.866 -14.801 1.00 0.00 N ATOM 478 CA GLN A 30 5.011 2.243 -14.018 1.00 0.00 C ATOM 479 C GLN A 30 5.659 3.255 -13.079 1.00 0.00 C ATOM 480 O GLN A 30 6.158 4.293 -13.516 1.00 0.00 O ATOM 481 CB GLN A 30 6.067 1.638 -14.944 1.00 0.00 C ATOM 482 CG GLN A 30 5.794 0.189 -15.314 1.00 0.00 C ATOM 483 CD GLN A 30 6.436 -0.208 -16.629 1.00 0.00 C ATOM 484 OE1 GLN A 30 6.032 0.256 -17.695 1.00 0.00 O ATOM 485 NE2 GLN A 30 7.442 -1.071 -16.560 1.00 0.00 N ATOM 0 H GLN A 30 4.055 2.767 -15.811 1.00 0.00 H new ATOM 0 HA GLN A 30 4.568 1.449 -13.417 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.122 2.233 -15.856 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.042 1.703 -14.461 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.166 -0.461 -14.522 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.717 0.031 -15.377 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.744 -1.430 -15.655 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.913 -1.375 -17.412 1.00 0.00 H new ATOM 494 N HIS A 31 5.649 2.946 -11.786 1.00 0.00 N ATOM 495 CA HIS A 31 6.237 3.828 -10.785 1.00 0.00 C ATOM 496 C HIS A 31 6.973 3.024 -9.717 1.00 0.00 C ATOM 497 O HIS A 31 6.867 1.799 -9.666 1.00 0.00 O ATOM 498 CB HIS A 31 5.153 4.689 -10.134 1.00 0.00 C ATOM 499 CG HIS A 31 4.790 5.901 -10.935 1.00 0.00 C ATOM 500 ND1 HIS A 31 5.544 6.356 -11.996 1.00 0.00 N ATOM 501 CD2 HIS A 31 3.743 6.753 -10.827 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.979 7.437 -12.504 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.884 7.698 -11.813 1.00 0.00 N ATOM 0 H HIS A 31 5.240 2.092 -11.407 1.00 0.00 H new ATOM 0 HA HIS A 31 6.955 4.477 -11.286 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.260 4.082 -9.984 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.494 5.004 -9.148 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.404 5.925 -12.336 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.946 6.699 -10.101 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.349 8.010 -13.341 1.00 0.00 H new ATOM 512 N TRP A 32 7.720 3.722 -8.869 1.00 0.00 N ATOM 513 CA TRP A 32 8.475 3.072 -7.804 1.00 0.00 C ATOM 514 C TRP A 32 7.873 3.387 -6.439 1.00 0.00 C ATOM 515 O TRP A 32 7.762 4.551 -6.052 1.00 0.00 O ATOM 516 CB TRP A 32 9.938 3.516 -7.844 1.00 0.00 C ATOM 517 CG TRP A 32 10.815 2.758 -6.894 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.662 3.286 -5.962 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.932 1.335 -6.785 1.00 0.00 C ATOM 520 NE1 TRP A 32 12.299 2.277 -5.280 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.868 1.071 -5.766 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.337 0.259 -7.448 1.00 0.00 C ATOM 523 CZ2 TRP A 32 12.220 -0.225 -5.397 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.688 -1.026 -7.081 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.622 -1.260 -6.063 1.00 0.00 C ATOM 0 H TRP A 32 7.819 4.737 -8.898 1.00 0.00 H new ATOM 0 HA TRP A 32 8.425 1.995 -7.963 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.320 3.392 -8.857 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.994 4.579 -7.610 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.810 4.341 -5.787 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.982 2.405 -4.533 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.615 0.429 -8.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.940 -0.407 -4.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.234 -1.865 -7.588 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.875 -2.276 -5.799 1.00 0.00 H new ATOM 536 N VAL A 33 7.484 2.344 -5.713 1.00 0.00 N ATOM 537 CA VAL A 33 6.893 2.510 -4.390 1.00 0.00 C ATOM 538 C VAL A 33 7.753 1.851 -3.318 1.00 0.00 C ATOM 539 O VAL A 33 8.443 0.865 -3.579 1.00 0.00 O ATOM 540 CB VAL A 33 5.473 1.916 -4.331 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.795 2.285 -3.020 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.649 2.388 -5.519 1.00 0.00 C ATOM 0 H VAL A 33 7.567 1.374 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 33 6.838 3.582 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 33 5.549 0.830 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.793 1.857 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.377 1.893 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.728 3.370 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.649 1.959 -5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.579 3.476 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.128 2.068 -6.444 1.00 0.00 H new ATOM 552 N VAL A 34 7.707 2.402 -2.109 1.00 0.00 N ATOM 553 CA VAL A 34 8.481 1.867 -0.995 1.00 0.00 C ATOM 554 C VAL A 34 7.741 2.049 0.326 1.00 0.00 C ATOM 555 O VAL A 34 7.371 3.165 0.693 1.00 0.00 O ATOM 556 CB VAL A 34 9.862 2.541 -0.895 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.589 2.087 0.361 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.690 2.245 -2.137 1.00 0.00 C ATOM 0 H VAL A 34 7.142 3.219 -1.876 1.00 0.00 H new ATOM 0 HA VAL A 34 8.618 0.803 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 34 9.717 3.619 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.563 2.574 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.001 2.355 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.725 1.006 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.663 2.729 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.828 1.168 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.173 2.626 -3.018 1.00 0.00 H new ATOM 568 N PHE A 35 7.530 0.947 1.037 1.00 0.00 N ATOM 569 CA PHE A 35 6.834 0.985 2.318 1.00 0.00 C ATOM 570 C PHE A 35 7.827 1.012 3.476 1.00 0.00 C ATOM 571 O PHE A 35 8.707 0.157 3.575 1.00 0.00 O ATOM 572 CB PHE A 35 5.907 -0.225 2.455 1.00 0.00 C ATOM 573 CG PHE A 35 5.372 -0.415 3.845 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.651 0.591 4.468 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.589 -1.600 4.529 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.157 0.419 5.748 1.00 0.00 C ATOM 577 CE2 PHE A 35 5.097 -1.779 5.808 1.00 0.00 C ATOM 578 CZ PHE A 35 4.381 -0.767 6.419 1.00 0.00 C ATOM 0 H PHE A 35 7.831 0.016 0.748 1.00 0.00 H new ATOM 0 HA PHE A 35 6.238 1.897 2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.071 -0.112 1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.448 -1.123 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.473 1.520 3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.149 -2.393 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.597 1.211 6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.272 -2.709 6.329 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.997 -0.903 7.419 1.00 0.00 H new ATOM 588 N LYS A 36 7.681 2.003 4.349 1.00 0.00 N ATOM 589 CA LYS A 36 8.563 2.144 5.502 1.00 0.00 C ATOM 590 C LYS A 36 7.810 1.870 6.800 1.00 0.00 C ATOM 591 O LYS A 36 6.586 1.981 6.852 1.00 0.00 O ATOM 592 CB LYS A 36 9.169 3.549 5.537 1.00 0.00 C ATOM 593 CG LYS A 36 10.152 3.759 6.675 1.00 0.00 C ATOM 594 CD LYS A 36 11.409 2.925 6.487 1.00 0.00 C ATOM 595 CE LYS A 36 12.446 3.232 7.556 1.00 0.00 C ATOM 596 NZ LYS A 36 13.002 4.606 7.412 1.00 0.00 N ATOM 0 H LYS A 36 6.960 2.721 4.280 1.00 0.00 H new ATOM 0 HA LYS A 36 9.365 1.412 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.675 3.741 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.365 4.280 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.420 4.814 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.677 3.496 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.153 1.866 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.832 3.120 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.994 3.125 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.256 2.505 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.849 4.702 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.257 4.775 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.289 5.302 7.710 1.00 0.00 H new ATOM 610 N GLU A 37 8.551 1.515 7.845 1.00 0.00 N ATOM 611 CA GLU A 37 7.952 1.227 9.143 1.00 0.00 C ATOM 612 C GLU A 37 6.709 2.082 9.370 1.00 0.00 C ATOM 613 O GLU A 37 5.587 1.574 9.396 1.00 0.00 O ATOM 614 CB GLU A 37 8.965 1.474 10.263 1.00 0.00 C ATOM 615 CG GLU A 37 10.093 0.456 10.298 1.00 0.00 C ATOM 616 CD GLU A 37 10.813 0.428 11.632 1.00 0.00 C ATOM 617 OE1 GLU A 37 11.348 1.481 12.039 1.00 0.00 O ATOM 618 OE2 GLU A 37 10.841 -0.645 12.269 1.00 0.00 O ATOM 0 H GLU A 37 9.566 1.420 7.818 1.00 0.00 H new ATOM 0 HA GLU A 37 7.657 0.178 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.390 2.471 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.445 1.461 11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.690 -0.534 10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.808 0.685 9.508 1.00 0.00 H new ATOM 625 N THR A 38 6.915 3.385 9.534 1.00 0.00 N ATOM 626 CA THR A 38 5.813 4.311 9.760 1.00 0.00 C ATOM 627 C THR A 38 5.790 5.408 8.702 1.00 0.00 C ATOM 628 O THR A 38 5.177 6.459 8.894 1.00 0.00 O ATOM 629 CB THR A 38 5.902 4.960 11.154 1.00 0.00 C ATOM 630 OG1 THR A 38 7.270 5.218 11.488 1.00 0.00 O ATOM 631 CG2 THR A 38 5.277 4.061 12.211 1.00 0.00 C ATOM 0 H THR A 38 7.836 3.823 9.514 1.00 0.00 H new ATOM 0 HA THR A 38 4.893 3.729 9.696 1.00 0.00 H new ATOM 0 HB THR A 38 5.351 5.900 11.128 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.318 5.632 12.375 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.352 4.541 13.187 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.228 3.891 11.970 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.803 3.107 12.234 1.00 0.00 H new ATOM 639 N THR A 39 6.462 5.158 7.583 1.00 0.00 N ATOM 640 CA THR A 39 6.519 6.125 6.494 1.00 0.00 C ATOM 641 C THR A 39 6.243 5.458 5.151 1.00 0.00 C ATOM 642 O THR A 39 6.260 4.232 5.040 1.00 0.00 O ATOM 643 CB THR A 39 7.891 6.824 6.434 1.00 0.00 C ATOM 644 OG1 THR A 39 8.463 6.892 7.745 1.00 0.00 O ATOM 645 CG2 THR A 39 7.759 8.226 5.859 1.00 0.00 C ATOM 0 H THR A 39 6.975 4.294 7.407 1.00 0.00 H new ATOM 0 HA THR A 39 5.748 6.870 6.693 1.00 0.00 H new ATOM 0 HB THR A 39 8.543 6.242 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.335 7.336 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.740 8.700 5.826 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.350 8.169 4.850 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.092 8.816 6.488 1.00 0.00 H new ATOM 653 N LEU A 40 5.989 6.272 4.132 1.00 0.00 N ATOM 654 CA LEU A 40 5.710 5.761 2.795 1.00 0.00 C ATOM 655 C LEU A 40 5.968 6.830 1.738 1.00 0.00 C ATOM 656 O LEU A 40 5.483 7.956 1.849 1.00 0.00 O ATOM 657 CB LEU A 40 4.261 5.277 2.705 1.00 0.00 C ATOM 658 CG LEU A 40 3.954 4.284 1.584 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.754 3.423 1.948 1.00 0.00 C ATOM 660 CD2 LEU A 40 3.709 5.017 0.274 1.00 0.00 C ATOM 0 H LEU A 40 5.971 7.289 4.207 1.00 0.00 H new ATOM 0 HA LEU A 40 6.380 4.922 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.993 4.815 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.616 6.146 2.580 1.00 0.00 H new ATOM 0 HG LEU A 40 4.818 3.632 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.550 2.722 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.967 2.869 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.883 4.060 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.492 4.294 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.862 5.694 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.597 5.589 0.006 1.00 0.00 H new ATOM 672 N SER A 41 6.733 6.468 0.713 1.00 0.00 N ATOM 673 CA SER A 41 7.057 7.397 -0.364 1.00 0.00 C ATOM 674 C SER A 41 7.225 6.657 -1.687 1.00 0.00 C ATOM 675 O SER A 41 7.658 5.505 -1.716 1.00 0.00 O ATOM 676 CB SER A 41 8.335 8.169 -0.032 1.00 0.00 C ATOM 677 OG SER A 41 8.179 8.927 1.155 1.00 0.00 O ATOM 0 H SER A 41 7.140 5.539 0.605 1.00 0.00 H new ATOM 0 HA SER A 41 6.231 8.101 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.165 7.472 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.589 8.831 -0.860 1.00 0.00 H new ATOM 0 HG SER A 41 9.010 9.410 1.346 1.00 0.00 H new ATOM 683 N TYR A 42 6.879 7.327 -2.781 1.00 0.00 N ATOM 684 CA TYR A 42 6.988 6.733 -4.108 1.00 0.00 C ATOM 685 C TYR A 42 7.668 7.694 -5.080 1.00 0.00 C ATOM 686 O TYR A 42 7.950 8.843 -4.739 1.00 0.00 O ATOM 687 CB TYR A 42 5.604 6.352 -4.635 1.00 0.00 C ATOM 688 CG TYR A 42 4.720 7.541 -4.931 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.314 8.401 -3.918 1.00 0.00 C ATOM 690 CD2 TYR A 42 4.290 7.807 -6.226 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.506 9.489 -4.184 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.483 8.893 -6.502 1.00 0.00 C ATOM 693 CZ TYR A 42 3.093 9.731 -5.478 1.00 0.00 C ATOM 694 OH TYR A 42 2.288 10.814 -5.748 1.00 0.00 O ATOM 0 H TYR A 42 6.521 8.282 -2.775 1.00 0.00 H new ATOM 0 HA TYR A 42 7.598 5.833 -4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.721 5.762 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.108 5.715 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.636 8.215 -2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.592 7.153 -7.030 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.199 10.146 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.159 9.085 -7.514 1.00 0.00 H new ATOM 0 HH TYR A 42 2.089 10.842 -6.707 1.00 0.00 H new ATOM 704 N TYR A 43 7.927 7.214 -6.291 1.00 0.00 N ATOM 705 CA TYR A 43 8.575 8.027 -7.313 1.00 0.00 C ATOM 706 C TYR A 43 8.021 7.705 -8.697 1.00 0.00 C ATOM 707 O TYR A 43 7.373 6.677 -8.897 1.00 0.00 O ATOM 708 CB TYR A 43 10.088 7.802 -7.291 1.00 0.00 C ATOM 709 CG TYR A 43 10.645 7.568 -5.905 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.236 6.479 -5.145 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.579 8.437 -5.355 1.00 0.00 C ATOM 712 CE1 TYR A 43 10.742 6.261 -3.878 1.00 0.00 C ATOM 713 CE2 TYR A 43 12.092 8.226 -4.089 1.00 0.00 C ATOM 714 CZ TYR A 43 11.670 7.138 -3.355 1.00 0.00 C ATOM 715 OH TYR A 43 12.177 6.926 -2.093 1.00 0.00 O ATOM 0 H TYR A 43 7.698 6.266 -6.589 1.00 0.00 H new ATOM 0 HA TYR A 43 8.368 9.074 -7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.329 6.945 -7.920 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.582 8.668 -7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.510 5.791 -5.552 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.910 9.292 -5.926 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.413 5.410 -3.301 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.819 8.910 -3.677 1.00 0.00 H new ATOM 0 HH TYR A 43 12.819 7.633 -1.875 1.00 0.00 H new ATOM 725 N LYS A 44 8.282 8.591 -9.652 1.00 0.00 N ATOM 726 CA LYS A 44 7.813 8.403 -11.020 1.00 0.00 C ATOM 727 C LYS A 44 8.701 7.415 -11.769 1.00 0.00 C ATOM 728 O LYS A 44 8.224 6.649 -12.606 1.00 0.00 O ATOM 729 CB LYS A 44 7.785 9.742 -11.760 1.00 0.00 C ATOM 730 CG LYS A 44 9.139 10.428 -11.829 1.00 0.00 C ATOM 731 CD LYS A 44 9.039 11.796 -12.481 1.00 0.00 C ATOM 732 CE LYS A 44 8.744 11.685 -13.969 1.00 0.00 C ATOM 733 NZ LYS A 44 8.890 12.994 -14.663 1.00 0.00 N ATOM 0 H LYS A 44 8.816 9.447 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 44 6.802 7.997 -10.978 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.417 9.580 -12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.076 10.406 -11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.547 10.532 -10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.835 9.806 -12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.253 12.375 -11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.972 12.339 -12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.419 10.958 -14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.731 11.310 -14.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.680 12.876 -15.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.228 13.681 -14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.864 13.340 -14.549 1.00 0.00 H new ATOM 747 N SER A 45 9.994 7.437 -11.460 1.00 0.00 N ATOM 748 CA SER A 45 10.949 6.544 -12.106 1.00 0.00 C ATOM 749 C SER A 45 12.145 6.279 -11.197 1.00 0.00 C ATOM 750 O SER A 45 12.720 7.205 -10.626 1.00 0.00 O ATOM 751 CB SER A 45 11.423 7.143 -13.432 1.00 0.00 C ATOM 752 OG SER A 45 12.306 6.260 -14.103 1.00 0.00 O ATOM 0 H SER A 45 10.404 8.063 -10.767 1.00 0.00 H new ATOM 0 HA SER A 45 10.448 5.596 -12.303 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.563 7.355 -14.067 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.924 8.093 -13.247 1.00 0.00 H new ATOM 0 HG SER A 45 13.173 6.699 -14.231 1.00 0.00 H new ATOM 758 N GLN A 46 12.513 5.008 -11.069 1.00 0.00 N ATOM 759 CA GLN A 46 13.640 4.621 -10.229 1.00 0.00 C ATOM 760 C GLN A 46 14.732 5.685 -10.258 1.00 0.00 C ATOM 761 O GLN A 46 15.412 5.918 -9.259 1.00 0.00 O ATOM 762 CB GLN A 46 14.209 3.278 -10.690 1.00 0.00 C ATOM 763 CG GLN A 46 14.840 2.467 -9.570 1.00 0.00 C ATOM 764 CD GLN A 46 15.667 1.305 -10.084 1.00 0.00 C ATOM 765 OE1 GLN A 46 15.147 0.213 -10.316 1.00 0.00 O ATOM 766 NE2 GLN A 46 16.962 1.534 -10.265 1.00 0.00 N ATOM 0 H GLN A 46 12.047 4.230 -11.536 1.00 0.00 H new ATOM 0 HA GLN A 46 13.280 4.524 -9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.411 2.692 -11.146 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.956 3.456 -11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.472 3.119 -8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.056 2.088 -8.915 1.00 0.00 H new ATOM 0 HE21 GLN A 46 17.351 2.454 -10.060 1.00 0.00 H new ATOM 0 HE22 GLN A 46 17.568 0.790 -10.609 1.00 0.00 H new ATOM 775 N ASP A 47 14.893 6.329 -11.409 1.00 0.00 N ATOM 776 CA ASP A 47 15.902 7.370 -11.568 1.00 0.00 C ATOM 777 C ASP A 47 15.813 8.390 -10.436 1.00 0.00 C ATOM 778 O ASP A 47 16.771 8.585 -9.688 1.00 0.00 O ATOM 779 CB ASP A 47 15.734 8.071 -12.917 1.00 0.00 C ATOM 780 CG ASP A 47 16.204 7.216 -14.076 1.00 0.00 C ATOM 781 OD1 ASP A 47 17.410 6.895 -14.126 1.00 0.00 O ATOM 782 OD2 ASP A 47 15.367 6.866 -14.934 1.00 0.00 O ATOM 0 H ASP A 47 14.338 6.148 -12.245 1.00 0.00 H new ATOM 0 HA ASP A 47 16.884 6.899 -11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.685 8.328 -13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.293 9.006 -12.909 1.00 0.00 H new ATOM 787 N GLU A 48 14.658 9.037 -10.318 1.00 0.00 N ATOM 788 CA GLU A 48 14.447 10.038 -9.279 1.00 0.00 C ATOM 789 C GLU A 48 15.122 9.620 -7.976 1.00 0.00 C ATOM 790 O GLU A 48 16.036 10.289 -7.496 1.00 0.00 O ATOM 791 CB GLU A 48 12.950 10.253 -9.044 1.00 0.00 C ATOM 792 CG GLU A 48 12.308 11.204 -10.041 1.00 0.00 C ATOM 793 CD GLU A 48 12.708 12.648 -9.810 1.00 0.00 C ATOM 794 OE1 GLU A 48 12.006 13.342 -9.044 1.00 0.00 O ATOM 795 OE2 GLU A 48 13.721 13.085 -10.395 1.00 0.00 O ATOM 0 H GLU A 48 13.855 8.886 -10.928 1.00 0.00 H new ATOM 0 HA GLU A 48 14.893 10.974 -9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.441 9.290 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.801 10.641 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.591 10.910 -11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.224 11.116 -9.975 1.00 0.00 H new ATOM 802 N ALA A 49 14.664 8.509 -7.409 1.00 0.00 N ATOM 803 CA ALA A 49 15.223 8.000 -6.163 1.00 0.00 C ATOM 804 C ALA A 49 16.622 7.432 -6.380 1.00 0.00 C ATOM 805 O ALA A 49 17.029 7.135 -7.504 1.00 0.00 O ATOM 806 CB ALA A 49 14.308 6.941 -5.567 1.00 0.00 C ATOM 0 H ALA A 49 13.907 7.944 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 49 15.302 8.832 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.738 6.570 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.330 7.377 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.199 6.116 -6.271 1.00 0.00 H new ATOM 812 N PRO A 50 17.376 7.278 -5.282 1.00 0.00 N ATOM 813 CA PRO A 50 16.902 7.628 -3.940 1.00 0.00 C ATOM 814 C PRO A 50 16.761 9.135 -3.751 1.00 0.00 C ATOM 815 O PRO A 50 16.341 9.601 -2.692 1.00 0.00 O ATOM 816 CB PRO A 50 17.994 7.074 -3.022 1.00 0.00 C ATOM 817 CG PRO A 50 19.220 7.041 -3.868 1.00 0.00 C ATOM 818 CD PRO A 50 18.751 6.749 -5.266 1.00 0.00 C ATOM 0 HA PRO A 50 15.911 7.222 -3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 50 18.134 7.708 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 50 17.738 6.079 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.749 7.993 -3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 50 19.913 6.275 -3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.379 7.238 -6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 50 18.773 5.681 -5.483 1.00 0.00 H new ATOM 826 N GLY A 51 17.114 9.893 -4.785 1.00 0.00 N ATOM 827 CA GLY A 51 17.020 11.339 -4.711 1.00 0.00 C ATOM 828 C GLY A 51 15.892 11.801 -3.810 1.00 0.00 C ATOM 829 O GLY A 51 16.096 12.035 -2.618 1.00 0.00 O ATOM 0 H GLY A 51 17.463 9.531 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.963 11.743 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.869 11.742 -5.712 1.00 0.00 H new ATOM 833 N ASP A 52 14.699 11.934 -4.379 1.00 0.00 N ATOM 834 CA ASP A 52 13.534 12.372 -3.618 1.00 0.00 C ATOM 835 C ASP A 52 12.243 11.926 -4.297 1.00 0.00 C ATOM 836 O ASP A 52 12.074 12.052 -5.510 1.00 0.00 O ATOM 837 CB ASP A 52 13.543 13.893 -3.462 1.00 0.00 C ATOM 838 CG ASP A 52 12.151 14.465 -3.276 1.00 0.00 C ATOM 839 OD1 ASP A 52 11.542 14.209 -2.217 1.00 0.00 O ATOM 840 OD2 ASP A 52 11.670 15.166 -4.191 1.00 0.00 O ATOM 0 H ASP A 52 14.513 11.745 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 52 13.582 11.913 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.161 14.164 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.003 14.343 -4.342 1.00 0.00 H new ATOM 845 N PRO A 53 11.309 11.389 -3.498 1.00 0.00 N ATOM 846 CA PRO A 53 10.016 10.912 -4.000 1.00 0.00 C ATOM 847 C PRO A 53 9.113 12.054 -4.453 1.00 0.00 C ATOM 848 O PRO A 53 9.374 13.220 -4.155 1.00 0.00 O ATOM 849 CB PRO A 53 9.408 10.197 -2.791 1.00 0.00 C ATOM 850 CG PRO A 53 10.050 10.839 -1.609 1.00 0.00 C ATOM 851 CD PRO A 53 11.442 11.207 -2.043 1.00 0.00 C ATOM 0 HA PRO A 53 10.129 10.275 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.325 10.314 -2.765 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.612 9.127 -2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.493 11.722 -1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.074 10.157 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.788 12.118 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.159 10.423 -1.800 1.00 0.00 H new ATOM 859 N ILE A 54 8.051 11.712 -5.174 1.00 0.00 N ATOM 860 CA ILE A 54 7.109 12.710 -5.666 1.00 0.00 C ATOM 861 C ILE A 54 6.395 13.408 -4.513 1.00 0.00 C ATOM 862 O ILE A 54 6.146 14.612 -4.564 1.00 0.00 O ATOM 863 CB ILE A 54 6.058 12.079 -6.599 1.00 0.00 C ATOM 864 CG1 ILE A 54 6.675 11.774 -7.966 1.00 0.00 C ATOM 865 CG2 ILE A 54 4.859 13.004 -6.748 1.00 0.00 C ATOM 866 CD1 ILE A 54 5.942 10.696 -8.733 1.00 0.00 C ATOM 0 H ILE A 54 7.821 10.752 -5.431 1.00 0.00 H new ATOM 0 HA ILE A 54 7.689 13.442 -6.227 1.00 0.00 H new ATOM 0 HB ILE A 54 5.718 11.142 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.688 12.687 -8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.712 11.469 -7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.125 12.545 -7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.408 13.176 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.183 13.955 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.435 10.533 -9.692 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.951 9.770 -8.158 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.911 11.007 -8.903 1.00 0.00 H new ATOM 878 N GLN A 55 6.070 12.643 -3.476 1.00 0.00 N ATOM 879 CA GLN A 55 5.386 13.189 -2.310 1.00 0.00 C ATOM 880 C GLN A 55 5.451 12.218 -1.136 1.00 0.00 C ATOM 881 O GLN A 55 4.835 11.153 -1.166 1.00 0.00 O ATOM 882 CB GLN A 55 3.928 13.502 -2.648 1.00 0.00 C ATOM 883 CG GLN A 55 3.722 14.892 -3.229 1.00 0.00 C ATOM 884 CD GLN A 55 2.302 15.392 -3.058 1.00 0.00 C ATOM 885 OE1 GLN A 55 1.663 15.822 -4.019 1.00 0.00 O ATOM 886 NE2 GLN A 55 1.799 15.339 -1.830 1.00 0.00 N ATOM 0 H GLN A 55 6.269 11.644 -3.419 1.00 0.00 H new ATOM 0 HA GLN A 55 5.891 14.111 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.562 12.762 -3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.325 13.402 -1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.409 15.588 -2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.973 14.879 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.364 14.975 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.848 15.662 -1.654 1.00 0.00 H new ATOM 895 N GLN A 56 6.202 12.592 -0.105 1.00 0.00 N ATOM 896 CA GLN A 56 6.347 11.753 1.078 1.00 0.00 C ATOM 897 C GLN A 56 5.269 12.071 2.108 1.00 0.00 C ATOM 898 O GLN A 56 4.934 13.235 2.332 1.00 0.00 O ATOM 899 CB GLN A 56 7.733 11.944 1.698 1.00 0.00 C ATOM 900 CG GLN A 56 7.928 13.306 2.344 1.00 0.00 C ATOM 901 CD GLN A 56 9.299 13.463 2.971 1.00 0.00 C ATOM 902 OE1 GLN A 56 10.284 12.909 2.485 1.00 0.00 O ATOM 903 NE2 GLN A 56 9.369 14.223 4.058 1.00 0.00 N ATOM 0 H GLN A 56 6.719 13.470 -0.065 1.00 0.00 H new ATOM 0 HA GLN A 56 6.234 10.714 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.897 11.169 2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.490 11.806 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.784 14.084 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.164 13.455 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.527 14.664 4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.265 14.366 4.524 1.00 0.00 H new ATOM 912 N LEU A 57 4.727 11.031 2.732 1.00 0.00 N ATOM 913 CA LEU A 57 3.685 11.199 3.738 1.00 0.00 C ATOM 914 C LEU A 57 3.890 10.233 4.901 1.00 0.00 C ATOM 915 O LEU A 57 4.376 9.118 4.716 1.00 0.00 O ATOM 916 CB LEU A 57 2.306 10.980 3.115 1.00 0.00 C ATOM 917 CG LEU A 57 2.247 9.997 1.945 1.00 0.00 C ATOM 918 CD1 LEU A 57 0.869 9.359 1.852 1.00 0.00 C ATOM 919 CD2 LEU A 57 2.600 10.698 0.641 1.00 0.00 C ATOM 0 H LEU A 57 4.992 10.062 2.559 1.00 0.00 H new ATOM 0 HA LEU A 57 3.745 12.218 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.629 10.628 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.926 11.943 2.774 1.00 0.00 H new ATOM 0 HG LEU A 57 2.979 9.209 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.846 8.663 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.654 8.822 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.118 10.135 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.553 9.983 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.892 11.507 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.608 11.107 0.709 1.00 0.00 H new ATOM 931 N ASN A 58 3.513 10.669 6.099 1.00 0.00 N ATOM 932 CA ASN A 58 3.654 9.842 7.292 1.00 0.00 C ATOM 933 C ASN A 58 2.413 8.981 7.506 1.00 0.00 C ATOM 934 O ASN A 58 1.389 9.458 7.997 1.00 0.00 O ATOM 935 CB ASN A 58 3.897 10.720 8.521 1.00 0.00 C ATOM 936 CG ASN A 58 2.687 11.559 8.880 1.00 0.00 C ATOM 937 OD1 ASN A 58 2.302 12.463 8.138 1.00 0.00 O ATOM 938 ND2 ASN A 58 2.080 11.264 10.024 1.00 0.00 N ATOM 0 H ASN A 58 3.108 11.590 6.269 1.00 0.00 H new ATOM 0 HA ASN A 58 4.511 9.184 7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.162 10.088 9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.748 11.375 8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.260 11.795 10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.433 10.506 10.608 1.00 0.00 H new ATOM 945 N LEU A 59 2.511 7.709 7.135 1.00 0.00 N ATOM 946 CA LEU A 59 1.397 6.779 7.287 1.00 0.00 C ATOM 947 C LEU A 59 0.750 6.925 8.661 1.00 0.00 C ATOM 948 O LEU A 59 -0.475 6.965 8.781 1.00 0.00 O ATOM 949 CB LEU A 59 1.876 5.341 7.086 1.00 0.00 C ATOM 950 CG LEU A 59 2.095 4.902 5.637 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.760 3.536 5.588 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.775 4.883 4.881 1.00 0.00 C ATOM 0 H LEU A 59 3.350 7.298 6.727 1.00 0.00 H new ATOM 0 HA LEU A 59 0.652 7.016 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.812 5.212 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.148 4.670 7.542 1.00 0.00 H new ATOM 0 HG LEU A 59 2.756 5.622 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.908 3.240 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.725 3.583 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.125 2.804 6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.950 4.569 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.090 4.185 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.338 5.882 4.886 1.00 0.00 H new ATOM 964 N LYS A 60 1.580 7.005 9.694 1.00 0.00 N ATOM 965 CA LYS A 60 1.091 7.150 11.060 1.00 0.00 C ATOM 966 C LYS A 60 0.092 8.298 11.161 1.00 0.00 C ATOM 967 O LYS A 60 0.472 9.448 11.375 1.00 0.00 O ATOM 968 CB LYS A 60 2.259 7.390 12.020 1.00 0.00 C ATOM 969 CG LYS A 60 2.025 6.836 13.414 1.00 0.00 C ATOM 970 CD LYS A 60 1.286 7.831 14.293 1.00 0.00 C ATOM 971 CE LYS A 60 0.889 7.212 15.624 1.00 0.00 C ATOM 972 NZ LYS A 60 -0.380 6.440 15.521 1.00 0.00 N ATOM 0 H LYS A 60 2.596 6.972 9.612 1.00 0.00 H new ATOM 0 HA LYS A 60 0.585 6.225 11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.159 6.936 11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.446 8.462 12.091 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.451 5.912 13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.982 6.585 13.872 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.918 8.701 14.470 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.395 8.184 13.775 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.686 6.555 15.971 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.776 7.998 16.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.414 5.725 16.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.189 7.087 15.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.425 5.968 14.595 1.00 0.00 H new ATOM 986 N GLY A 61 -1.190 7.976 11.008 1.00 0.00 N ATOM 987 CA GLY A 61 -2.223 8.992 11.087 1.00 0.00 C ATOM 988 C GLY A 61 -3.195 8.921 9.926 1.00 0.00 C ATOM 989 O GLY A 61 -4.384 9.202 10.085 1.00 0.00 O ATOM 0 H GLY A 61 -1.530 7.031 10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.770 8.878 12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.758 9.978 11.108 1.00 0.00 H new ATOM 993 N CYS A 62 -2.690 8.548 8.756 1.00 0.00 N ATOM 994 CA CYS A 62 -3.522 8.444 7.562 1.00 0.00 C ATOM 995 C CYS A 62 -4.647 7.436 7.770 1.00 0.00 C ATOM 996 O CYS A 62 -4.712 6.768 8.801 1.00 0.00 O ATOM 997 CB CYS A 62 -2.672 8.036 6.357 1.00 0.00 C ATOM 998 SG CYS A 62 -2.209 6.289 6.337 1.00 0.00 S ATOM 0 H CYS A 62 -1.709 8.312 8.608 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.965 9.422 7.371 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.222 8.265 5.444 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.765 8.641 6.344 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.378 6.049 7.308 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.533 7.333 6.783 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.657 6.408 6.860 1.00 0.00 C ATOM 1006 C GLU A 63 -6.490 5.264 5.865 1.00 0.00 C ATOM 1007 O GLU A 63 -5.937 5.445 4.780 1.00 0.00 O ATOM 1008 CB GLU A 63 -7.971 7.145 6.591 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.131 6.220 6.263 1.00 0.00 C ATOM 1010 CD GLU A 63 -9.260 5.948 4.777 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -8.456 5.153 4.247 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -10.165 6.531 4.144 1.00 0.00 O ATOM 0 H GLU A 63 -5.493 7.878 5.922 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.682 5.990 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.229 7.742 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.826 7.839 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.998 5.276 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.058 6.662 6.629 1.00 0.00 H new ATOM 1019 N VAL A 64 -6.971 4.084 6.242 1.00 0.00 N ATOM 1020 CA VAL A 64 -6.875 2.909 5.384 1.00 0.00 C ATOM 1021 C VAL A 64 -8.210 2.177 5.304 1.00 0.00 C ATOM 1022 O VAL A 64 -8.658 1.572 6.279 1.00 0.00 O ATOM 1023 CB VAL A 64 -5.796 1.932 5.887 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -5.656 0.754 4.936 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -4.466 2.651 6.057 1.00 0.00 C ATOM 0 H VAL A 64 -7.431 3.916 7.137 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.598 3.264 4.391 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.103 1.548 6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.889 0.075 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.607 0.226 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.371 1.116 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.714 1.946 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.151 3.064 5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.579 3.458 6.781 1.00 0.00 H new ATOM 1035 N VAL A 65 -8.842 2.234 4.136 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.125 1.575 3.928 1.00 0.00 C ATOM 1037 C VAL A 65 -9.978 0.359 3.019 1.00 0.00 C ATOM 1038 O VAL A 65 -9.541 0.460 1.873 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.158 2.539 3.314 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.401 1.780 2.874 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.516 3.637 4.304 1.00 0.00 C ATOM 0 H VAL A 65 -8.486 2.730 3.319 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.477 1.252 4.908 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.716 3.005 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.119 2.477 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.127 1.034 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.849 1.284 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.247 4.309 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.939 3.191 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.619 4.199 4.564 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.351 -0.818 3.542 1.00 0.00 N ATOM 1052 CA PRO A 66 -10.270 -2.077 2.795 1.00 0.00 C ATOM 1053 C PRO A 66 -11.290 -2.145 1.662 1.00 0.00 C ATOM 1054 O PRO A 66 -12.486 -1.948 1.878 1.00 0.00 O ATOM 1055 CB PRO A 66 -10.576 -3.139 3.854 1.00 0.00 C ATOM 1056 CG PRO A 66 -11.389 -2.427 4.880 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.881 -1.012 4.902 1.00 0.00 C ATOM 0 HA PRO A 66 -9.300 -2.203 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.125 -3.978 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.660 -3.544 4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.449 -2.457 4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.281 -2.896 5.858 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.677 -0.303 5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.108 -0.874 5.658 1.00 0.00 H new ATOM 1065 N ASP A 67 -10.809 -2.426 0.456 1.00 0.00 N ATOM 1066 CA ASP A 67 -11.679 -2.521 -0.710 1.00 0.00 C ATOM 1067 C ASP A 67 -11.420 -3.815 -1.476 1.00 0.00 C ATOM 1068 O ASP A 67 -11.286 -3.808 -2.700 1.00 0.00 O ATOM 1069 CB ASP A 67 -11.468 -1.318 -1.630 1.00 0.00 C ATOM 1070 CG ASP A 67 -11.848 -0.009 -0.967 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -12.574 -0.046 0.048 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -11.418 1.054 -1.463 1.00 0.00 O ATOM 0 H ASP A 67 -9.822 -2.592 0.260 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.712 -2.525 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.423 -1.277 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.060 -1.449 -2.536 1.00 0.00 H new ATOM 1077 N VAL A 68 -11.350 -4.925 -0.748 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.108 -6.226 -1.359 1.00 0.00 C ATOM 1079 C VAL A 68 -12.417 -6.954 -1.640 1.00 0.00 C ATOM 1080 O VAL A 68 -13.375 -6.847 -0.875 1.00 0.00 O ATOM 1081 CB VAL A 68 -10.223 -7.111 -0.460 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -9.121 -6.285 0.184 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -11.067 -7.807 0.597 1.00 0.00 C ATOM 0 H VAL A 68 -11.458 -4.949 0.266 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.590 -6.043 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.755 -7.876 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.507 -6.927 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.500 -5.838 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.565 -5.497 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.426 -8.428 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.565 -7.060 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.816 -8.433 0.111 1.00 0.00 H new ATOM 1093 N ASN A 69 -12.451 -7.695 -2.742 1.00 0.00 N ATOM 1094 CA ASN A 69 -13.644 -8.442 -3.125 1.00 0.00 C ATOM 1095 C ASN A 69 -13.284 -9.865 -3.543 1.00 0.00 C ATOM 1096 O ASN A 69 -13.005 -10.128 -4.713 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.371 -7.731 -4.268 1.00 0.00 C ATOM 1098 CG ASN A 69 -15.354 -6.690 -3.769 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -15.007 -5.521 -3.604 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -16.590 -7.112 -3.526 1.00 0.00 N ATOM 0 H ASN A 69 -11.666 -7.795 -3.386 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.304 -8.493 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.639 -7.253 -4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.901 -8.468 -4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -17.295 -6.457 -3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.834 -8.091 -3.677 1.00 0.00 H new ATOM 1107 N VAL A 70 -13.293 -10.779 -2.579 1.00 0.00 N ATOM 1108 CA VAL A 70 -12.970 -12.176 -2.846 1.00 0.00 C ATOM 1109 C VAL A 70 -13.699 -12.681 -4.086 1.00 0.00 C ATOM 1110 O VAL A 70 -13.188 -13.530 -4.816 1.00 0.00 O ATOM 1111 CB VAL A 70 -13.332 -13.075 -1.649 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -13.055 -14.535 -1.975 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -12.567 -12.643 -0.408 1.00 0.00 C ATOM 0 H VAL A 70 -13.521 -10.578 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.894 -12.225 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.398 -12.969 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.317 -15.155 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.652 -14.835 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.997 -14.662 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.835 -13.289 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.496 -12.719 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.821 -11.611 -0.165 1.00 0.00 H new ATOM 1123 N SER A 71 -14.895 -12.151 -4.319 1.00 0.00 N ATOM 1124 CA SER A 71 -15.697 -12.551 -5.470 1.00 0.00 C ATOM 1125 C SER A 71 -14.815 -12.776 -6.694 1.00 0.00 C ATOM 1126 O SER A 71 -15.047 -13.694 -7.480 1.00 0.00 O ATOM 1127 CB SER A 71 -16.753 -11.487 -5.777 1.00 0.00 C ATOM 1128 OG SER A 71 -17.913 -11.677 -4.985 1.00 0.00 O ATOM 0 H SER A 71 -15.330 -11.444 -3.727 1.00 0.00 H new ATOM 0 HA SER A 71 -16.196 -13.489 -5.226 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.340 -10.496 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.019 -11.528 -6.833 1.00 0.00 H new ATOM 0 HG SER A 71 -18.572 -10.984 -5.198 1.00 0.00 H new ATOM 1134 N GLY A 72 -13.802 -11.930 -6.850 1.00 0.00 N ATOM 1135 CA GLY A 72 -12.900 -12.052 -7.980 1.00 0.00 C ATOM 1136 C GLY A 72 -11.443 -11.964 -7.572 1.00 0.00 C ATOM 1137 O GLY A 72 -10.652 -11.274 -8.215 1.00 0.00 O ATOM 0 H GLY A 72 -13.590 -11.162 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.077 -13.004 -8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.120 -11.266 -8.703 1.00 0.00 H new ATOM 1141 N GLN A 73 -11.088 -12.664 -6.499 1.00 0.00 N ATOM 1142 CA GLN A 73 -9.716 -12.659 -6.004 1.00 0.00 C ATOM 1143 C GLN A 73 -9.096 -11.272 -6.132 1.00 0.00 C ATOM 1144 O GLN A 73 -7.956 -11.127 -6.575 1.00 0.00 O ATOM 1145 CB GLN A 73 -8.872 -13.680 -6.770 1.00 0.00 C ATOM 1146 CG GLN A 73 -9.452 -15.085 -6.750 1.00 0.00 C ATOM 1147 CD GLN A 73 -10.422 -15.333 -7.888 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -11.714 -15.225 -7.599 1.00 0.00 O flip ATOM 1149 NE2 GLN A 73 -10.016 -15.618 -9.015 1.00 0.00 N flip ATOM 0 H GLN A 73 -11.731 -13.241 -5.956 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.736 -12.932 -4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.771 -13.352 -7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.869 -13.704 -6.343 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.640 -15.810 -6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.962 -15.250 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.014 -15.691 -9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.681 -15.781 -9.771 1.00 0.00 H new ATOM 1158 N LYS A 74 -9.854 -10.252 -5.741 1.00 0.00 N ATOM 1159 CA LYS A 74 -9.379 -8.875 -5.810 1.00 0.00 C ATOM 1160 C LYS A 74 -9.118 -8.319 -4.414 1.00 0.00 C ATOM 1161 O LYS A 74 -9.814 -8.662 -3.458 1.00 0.00 O ATOM 1162 CB LYS A 74 -10.401 -7.998 -6.538 1.00 0.00 C ATOM 1163 CG LYS A 74 -9.969 -6.549 -6.677 1.00 0.00 C ATOM 1164 CD LYS A 74 -11.068 -5.695 -7.287 1.00 0.00 C ATOM 1165 CE LYS A 74 -11.278 -6.026 -8.757 1.00 0.00 C ATOM 1166 NZ LYS A 74 -12.403 -5.247 -9.345 1.00 0.00 N ATOM 0 H LYS A 74 -10.800 -10.354 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.441 -8.867 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.581 -8.412 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.348 -8.036 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.701 -6.153 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.076 -6.493 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.998 -5.852 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.811 -4.641 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.363 -5.817 -9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.479 -7.092 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.514 -5.501 -10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.281 -5.465 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.200 -4.230 -9.266 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.113 -7.457 -4.304 1.00 0.00 N ATOM 1181 CA PHE A 75 -7.760 -6.853 -3.025 1.00 0.00 C ATOM 1182 C PHE A 75 -7.153 -5.468 -3.226 1.00 0.00 C ATOM 1183 O PHE A 75 -6.001 -5.338 -3.643 1.00 0.00 O ATOM 1184 CB PHE A 75 -6.777 -7.748 -2.267 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.085 -9.213 -2.388 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -6.611 -9.947 -3.463 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -7.847 -9.856 -1.426 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -6.894 -11.295 -3.577 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -8.133 -11.204 -1.535 1.00 0.00 C ATOM 1190 CZ PHE A 75 -7.654 -11.925 -2.611 1.00 0.00 C ATOM 0 H PHE A 75 -7.528 -7.161 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.672 -6.749 -2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.769 -7.565 -2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.783 -7.469 -1.213 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.014 -9.461 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.222 -9.298 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.521 -11.856 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.730 -11.693 -0.780 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.873 -12.979 -2.697 1.00 0.00 H new ATOM 1200 N CYS A 76 -7.936 -4.436 -2.929 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.477 -3.060 -3.078 1.00 0.00 C ATOM 1202 C CYS A 76 -7.368 -2.373 -1.721 1.00 0.00 C ATOM 1203 O CYS A 76 -8.041 -2.756 -0.764 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.429 -2.278 -3.984 1.00 0.00 C ATOM 1205 SG CYS A 76 -7.680 -0.833 -4.771 1.00 0.00 S ATOM 0 H CYS A 76 -8.891 -4.527 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.488 -3.081 -3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.806 -2.945 -4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.288 -1.954 -3.397 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.563 -0.239 -5.518 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.515 -1.357 -1.645 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.317 -0.617 -0.405 1.00 0.00 C ATOM 1213 C ILE A 77 -6.341 0.888 -0.653 1.00 0.00 C ATOM 1214 O ILE A 77 -5.432 1.441 -1.272 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.985 -0.994 0.270 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.893 -2.510 0.454 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.849 -0.283 1.608 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.473 -3.021 0.557 1.00 0.00 C ATOM 0 H ILE A 77 -5.950 -1.028 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.139 -0.887 0.258 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.165 -0.675 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.438 -2.792 1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.387 -3.000 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.903 -0.560 2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.875 0.795 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.672 -0.574 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.484 -4.103 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.929 -2.770 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.981 -2.559 1.413 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.386 1.546 -0.163 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.528 2.988 -0.328 1.00 0.00 C ATOM 1232 C LYS A 78 -6.841 3.736 0.811 1.00 0.00 C ATOM 1233 O LYS A 78 -7.331 3.751 1.941 1.00 0.00 O ATOM 1234 CB LYS A 78 -9.008 3.372 -0.385 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.246 4.871 -0.440 1.00 0.00 C ATOM 1236 CD LYS A 78 -10.576 5.249 0.191 1.00 0.00 C ATOM 1237 CE LYS A 78 -10.527 6.640 0.803 1.00 0.00 C ATOM 1238 NZ LYS A 78 -11.859 7.306 0.773 1.00 0.00 N ATOM 0 H LYS A 78 -8.147 1.104 0.352 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.049 3.270 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.461 2.908 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.514 2.964 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.437 5.388 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.226 5.205 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.362 5.210 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.835 4.521 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.178 6.571 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.804 7.250 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.817 8.191 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.120 7.517 -0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.572 6.675 1.192 1.00 0.00 H new ATOM 1252 N LEU A 79 -5.707 4.356 0.505 1.00 0.00 N ATOM 1253 CA LEU A 79 -4.953 5.107 1.503 1.00 0.00 C ATOM 1254 C LEU A 79 -5.271 6.597 1.417 1.00 0.00 C ATOM 1255 O LEU A 79 -4.903 7.266 0.451 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.452 4.883 1.313 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.577 5.116 2.545 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -2.810 4.025 3.579 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.108 5.177 2.152 1.00 0.00 C ATOM 0 H LEU A 79 -5.289 4.354 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.245 4.747 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.298 3.859 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.105 5.541 0.516 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.854 6.073 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.179 4.207 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.857 4.029 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.562 3.055 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.500 5.343 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.817 4.236 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.953 5.995 1.448 1.00 0.00 H new ATOM 1271 N LEU A 80 -5.955 7.110 2.434 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.321 8.521 2.475 1.00 0.00 C ATOM 1273 C LEU A 80 -5.401 9.295 3.415 1.00 0.00 C ATOM 1274 O LEU A 80 -5.379 9.049 4.621 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.775 8.679 2.923 1.00 0.00 C ATOM 1276 CG LEU A 80 -8.527 9.880 2.350 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -9.065 9.562 0.963 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -9.658 10.295 3.280 1.00 0.00 C ATOM 0 H LEU A 80 -6.267 6.570 3.241 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.211 8.928 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.318 7.773 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.793 8.749 4.011 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.829 10.713 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.597 10.429 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.237 9.315 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.747 8.714 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.182 11.151 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.355 9.465 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.248 10.566 4.253 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.645 10.233 2.854 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.726 11.046 3.642 1.00 0.00 C ATOM 1292 C VAL A 81 -3.977 12.533 3.420 1.00 0.00 C ATOM 1293 O VAL A 81 -4.123 13.001 2.290 1.00 0.00 O ATOM 1294 CB VAL A 81 -2.258 10.727 3.298 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.317 11.466 4.237 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -2.012 9.227 3.354 1.00 0.00 C ATOM 0 H VAL A 81 -4.651 10.449 1.857 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.908 10.803 4.689 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.059 11.067 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.285 11.229 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.477 12.540 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.514 11.160 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.970 9.020 3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.228 8.860 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.661 8.725 2.636 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.030 13.295 4.522 1.00 0.00 N ATOM 1307 CA PRO A 82 -4.264 14.742 4.473 1.00 0.00 C ATOM 1308 C PRO A 82 -3.079 15.501 3.886 1.00 0.00 C ATOM 1309 O PRO A 82 -1.924 15.170 4.154 1.00 0.00 O ATOM 1310 CB PRO A 82 -4.465 15.118 5.943 1.00 0.00 C ATOM 1311 CG PRO A 82 -3.736 14.067 6.706 1.00 0.00 C ATOM 1312 CD PRO A 82 -3.866 12.805 5.900 1.00 0.00 C ATOM 0 HA PRO A 82 -5.109 14.997 3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.066 16.110 6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.523 15.136 6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.689 14.338 6.840 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.163 13.940 7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.984 12.172 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.722 12.211 6.220 1.00 0.00 H new ATOM 1320 N SER A 83 -3.373 16.519 3.084 1.00 0.00 N ATOM 1321 CA SER A 83 -2.330 17.324 2.457 1.00 0.00 C ATOM 1322 C SER A 83 -2.604 18.812 2.647 1.00 0.00 C ATOM 1323 O SER A 83 -3.751 19.257 2.700 1.00 0.00 O ATOM 1324 CB SER A 83 -2.235 16.998 0.965 1.00 0.00 C ATOM 1325 OG SER A 83 -1.834 15.654 0.761 1.00 0.00 O ATOM 0 H SER A 83 -4.324 16.806 2.853 1.00 0.00 H new ATOM 0 HA SER A 83 -1.381 17.083 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.201 17.169 0.490 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.522 17.670 0.487 1.00 0.00 H new ATOM 0 HG SER A 83 -1.782 15.470 -0.200 1.00 0.00 H new ATOM 1331 N PRO A 84 -1.525 19.602 2.753 1.00 0.00 N ATOM 1332 CA PRO A 84 -1.622 21.053 2.939 1.00 0.00 C ATOM 1333 C PRO A 84 -2.142 21.764 1.694 1.00 0.00 C ATOM 1334 O PRO A 84 -2.348 22.977 1.702 1.00 0.00 O ATOM 1335 CB PRO A 84 -0.178 21.471 3.230 1.00 0.00 C ATOM 1336 CG PRO A 84 0.657 20.418 2.587 1.00 0.00 C ATOM 1337 CD PRO A 84 -0.128 19.140 2.699 1.00 0.00 C ATOM 0 HA PRO A 84 -2.324 21.316 3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 84 0.040 22.456 2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 84 0.010 21.526 4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 84 0.858 20.662 1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 84 1.622 20.328 3.085 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.046 18.485 1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.144 18.578 3.592 1.00 0.00 H new ATOM 1345 N GLU A 85 -2.351 21.000 0.627 1.00 0.00 N ATOM 1346 CA GLU A 85 -2.847 21.559 -0.626 1.00 0.00 C ATOM 1347 C GLU A 85 -4.226 21.000 -0.963 1.00 0.00 C ATOM 1348 O GLU A 85 -5.042 21.669 -1.595 1.00 0.00 O ATOM 1349 CB GLU A 85 -1.871 21.260 -1.765 1.00 0.00 C ATOM 1350 CG GLU A 85 -0.551 22.002 -1.647 1.00 0.00 C ATOM 1351 CD GLU A 85 0.527 21.424 -2.543 1.00 0.00 C ATOM 1352 OE1 GLU A 85 0.479 21.671 -3.766 1.00 0.00 O ATOM 1353 OE2 GLU A 85 1.419 20.723 -2.020 1.00 0.00 O ATOM 0 H GLU A 85 -2.185 19.994 0.604 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.932 22.639 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.674 20.188 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.341 21.521 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.705 23.051 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.212 21.971 -0.611 1.00 0.00 H new ATOM 1360 N GLY A 86 -4.479 19.766 -0.536 1.00 0.00 N ATOM 1361 CA GLY A 86 -5.759 19.136 -0.802 1.00 0.00 C ATOM 1362 C GLY A 86 -5.900 17.794 -0.112 1.00 0.00 C ATOM 1363 O GLY A 86 -6.322 17.724 1.042 1.00 0.00 O ATOM 0 H GLY A 86 -3.820 19.192 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.561 19.797 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.878 19.002 -1.877 1.00 0.00 H new ATOM 1367 N MET A 87 -5.547 16.727 -0.820 1.00 0.00 N ATOM 1368 CA MET A 87 -5.637 15.380 -0.268 1.00 0.00 C ATOM 1369 C MET A 87 -4.663 14.438 -0.970 1.00 0.00 C ATOM 1370 O MET A 87 -4.047 14.801 -1.971 1.00 0.00 O ATOM 1371 CB MET A 87 -7.065 14.846 -0.398 1.00 0.00 C ATOM 1372 CG MET A 87 -7.964 15.225 0.768 1.00 0.00 C ATOM 1373 SD MET A 87 -7.300 14.694 2.358 1.00 0.00 S ATOM 1374 CE MET A 87 -8.078 13.090 2.531 1.00 0.00 C ATOM 0 H MET A 87 -5.196 16.768 -1.777 1.00 0.00 H new ATOM 0 HA MET A 87 -5.370 15.429 0.788 1.00 0.00 H new ATOM 0 HB2 MET A 87 -7.503 15.224 -1.322 1.00 0.00 H new ATOM 0 HB3 MET A 87 -7.032 13.760 -0.482 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.102 16.306 0.779 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.948 14.780 0.623 1.00 0.00 H new ATOM 0 HE1 MET A 87 -7.511 12.485 3.238 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.097 13.217 2.898 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.101 12.590 1.563 1.00 0.00 H new ATOM 1384 N SER A 88 -4.530 13.228 -0.437 1.00 0.00 N ATOM 1385 CA SER A 88 -3.628 12.235 -1.011 1.00 0.00 C ATOM 1386 C SER A 88 -4.306 10.871 -1.097 1.00 0.00 C ATOM 1387 O SER A 88 -3.998 9.964 -0.325 1.00 0.00 O ATOM 1388 CB SER A 88 -2.352 12.131 -0.174 1.00 0.00 C ATOM 1389 OG SER A 88 -1.364 13.036 -0.636 1.00 0.00 O ATOM 0 H SER A 88 -5.035 12.911 0.391 1.00 0.00 H new ATOM 0 HA SER A 88 -3.368 12.556 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.581 12.340 0.871 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.966 11.113 -0.218 1.00 0.00 H new ATOM 0 HG SER A 88 -0.559 12.951 -0.084 1.00 0.00 H new ATOM 1395 N GLU A 89 -5.231 10.736 -2.043 1.00 0.00 N ATOM 1396 CA GLU A 89 -5.953 9.483 -2.230 1.00 0.00 C ATOM 1397 C GLU A 89 -5.279 8.620 -3.292 1.00 0.00 C ATOM 1398 O GLU A 89 -5.288 8.956 -4.477 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.405 9.760 -2.627 1.00 0.00 C ATOM 1400 CG GLU A 89 -8.292 8.527 -2.589 1.00 0.00 C ATOM 1401 CD GLU A 89 -9.438 8.602 -3.579 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -9.170 8.616 -4.798 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -10.604 8.647 -3.133 1.00 0.00 O ATOM 0 H GLU A 89 -5.497 11.478 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.940 8.941 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.818 10.515 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.424 10.180 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.690 7.644 -2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.693 8.404 -1.583 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.696 7.507 -2.860 1.00 0.00 N ATOM 1411 CA ILE A 90 -4.017 6.596 -3.773 1.00 0.00 C ATOM 1412 C ILE A 90 -4.683 5.224 -3.775 1.00 0.00 C ATOM 1413 O ILE A 90 -4.975 4.663 -2.719 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.531 6.433 -3.405 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.782 7.749 -3.622 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -1.901 5.317 -4.226 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -1.800 8.661 -2.415 1.00 0.00 C ATOM 0 H ILE A 90 -4.680 7.214 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.089 7.034 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.460 6.166 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.747 7.530 -3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.223 8.273 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.850 5.214 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.421 4.380 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.980 5.556 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.250 9.575 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.831 8.911 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.332 8.156 -1.570 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.917 4.688 -4.968 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.548 3.381 -5.108 1.00 0.00 C ATOM 1431 C TYR A 91 -4.508 2.301 -5.389 1.00 0.00 C ATOM 1432 O TYR A 91 -3.828 2.330 -6.416 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.586 3.411 -6.231 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.748 4.339 -5.958 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.329 4.404 -4.697 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.266 5.149 -6.960 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.391 5.249 -4.442 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.327 5.999 -6.714 1.00 0.00 C ATOM 1439 CZ TYR A 91 -9.886 6.045 -5.454 1.00 0.00 C ATOM 1440 OH TYR A 91 -10.944 6.889 -5.205 1.00 0.00 O ATOM 0 H TYR A 91 -4.679 5.138 -5.852 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.046 3.143 -4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.098 3.716 -7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.967 2.402 -6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.943 3.783 -3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.832 5.114 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.831 5.286 -3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.717 6.624 -7.504 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.670 7.815 -5.372 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.391 1.349 -4.471 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.434 0.257 -4.619 1.00 0.00 C ATOM 1452 C LEU A 92 -4.152 -1.084 -4.730 1.00 0.00 C ATOM 1453 O LEU A 92 -4.818 -1.523 -3.793 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.469 0.235 -3.432 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.915 1.590 -2.992 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -1.529 1.557 -1.521 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.722 1.984 -3.850 1.00 0.00 C ATOM 0 H LEU A 92 -4.946 1.310 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.869 0.423 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.980 -0.219 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.630 -0.414 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.695 2.340 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.137 2.530 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.407 1.322 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.766 0.795 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.341 2.951 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.062 1.233 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.030 2.051 -4.893 1.00 0.00 H new ATOM 1469 N ARG A 93 -4.009 -1.732 -5.882 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.643 -3.024 -6.116 1.00 0.00 C ATOM 1471 C ARG A 93 -3.603 -4.140 -6.159 1.00 0.00 C ATOM 1472 O ARG A 93 -2.606 -4.046 -6.876 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.433 -2.998 -7.425 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.233 -4.266 -7.678 1.00 0.00 C ATOM 1475 CD ARG A 93 -5.418 -5.296 -8.444 1.00 0.00 C ATOM 1476 NE ARG A 93 -6.253 -6.367 -8.979 1.00 0.00 N ATOM 1477 CZ ARG A 93 -5.779 -7.379 -9.698 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -4.483 -7.458 -9.964 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -6.603 -8.316 -10.150 1.00 0.00 N ATOM 0 H ARG A 93 -3.460 -1.383 -6.668 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.327 -3.220 -5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.113 -2.146 -7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.742 -2.843 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.555 -4.690 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.134 -4.023 -8.240 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.890 -4.805 -9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.661 -5.721 -7.786 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.255 -6.337 -8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.846 -6.741 -9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.122 -8.236 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.601 -8.260 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.239 -9.093 -10.702 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.841 -5.194 -5.386 1.00 0.00 N ATOM 1494 CA CYS A 94 -2.925 -6.327 -5.335 1.00 0.00 C ATOM 1495 C CYS A 94 -3.395 -7.449 -6.256 1.00 0.00 C ATOM 1496 O CYS A 94 -4.594 -7.628 -6.468 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.802 -6.846 -3.901 1.00 0.00 C ATOM 1498 SG CYS A 94 -2.188 -5.619 -2.723 1.00 0.00 S ATOM 0 H CYS A 94 -4.661 -5.287 -4.786 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.947 -5.987 -5.676 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.779 -7.197 -3.568 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.134 -7.707 -3.894 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.085 -6.048 -2.185 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.442 -8.198 -6.801 1.00 0.00 N ATOM 1505 CA GLN A 95 -2.760 -9.301 -7.701 1.00 0.00 C ATOM 1506 C GLN A 95 -3.431 -10.443 -6.946 1.00 0.00 C ATOM 1507 O GLN A 95 -4.390 -11.043 -7.433 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.491 -9.805 -8.391 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.392 -10.212 -7.422 1.00 0.00 C ATOM 1510 CD GLN A 95 0.861 -10.689 -8.128 1.00 0.00 C ATOM 1511 OE1 GLN A 95 1.496 -9.937 -8.868 1.00 0.00 O ATOM 1512 NE2 GLN A 95 1.225 -11.946 -7.903 1.00 0.00 N ATOM 0 H GLN A 95 -1.445 -8.062 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.454 -8.933 -8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.744 -10.659 -9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.112 -9.025 -9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.144 -9.364 -6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.762 -11.004 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.669 -12.535 -7.282 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.060 -12.323 -8.351 1.00 0.00 H new ATOM 1521 N ASP A 96 -2.921 -10.740 -5.756 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.472 -11.811 -4.933 1.00 0.00 C ATOM 1523 C ASP A 96 -3.638 -11.355 -3.487 1.00 0.00 C ATOM 1524 O ASP A 96 -3.386 -10.196 -3.160 1.00 0.00 O ATOM 1525 CB ASP A 96 -2.569 -13.044 -4.992 1.00 0.00 C ATOM 1526 CG ASP A 96 -1.097 -12.687 -4.923 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -0.769 -11.631 -4.342 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -0.273 -13.464 -5.449 1.00 0.00 O ATOM 0 H ASP A 96 -2.127 -10.254 -5.339 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.454 -12.070 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.817 -13.712 -4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.765 -13.590 -5.915 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.063 -12.275 -2.627 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.264 -11.965 -1.216 1.00 0.00 C ATOM 1535 C GLU A 97 -2.929 -11.875 -0.483 1.00 0.00 C ATOM 1536 O GLU A 97 -2.801 -11.155 0.507 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.148 -13.027 -0.559 1.00 0.00 C ATOM 1538 CG GLU A 97 -4.435 -14.347 -0.316 1.00 0.00 C ATOM 1539 CD GLU A 97 -4.564 -15.304 -1.484 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -3.720 -15.236 -2.403 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -5.508 -16.121 -1.481 1.00 0.00 O ATOM 0 H GLU A 97 -4.275 -13.240 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.761 -10.997 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.517 -12.643 0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.018 -13.205 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.379 -14.155 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.842 -14.816 0.580 1.00 0.00 H new ATOM 1548 N GLN A 98 -1.939 -12.611 -0.977 1.00 0.00 N ATOM 1549 CA GLN A 98 -0.613 -12.614 -0.369 1.00 0.00 C ATOM 1550 C GLN A 98 -0.050 -11.200 -0.283 1.00 0.00 C ATOM 1551 O GLN A 98 0.193 -10.684 0.808 1.00 0.00 O ATOM 1552 CB GLN A 98 0.336 -13.506 -1.171 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.100 -14.961 -1.230 1.00 0.00 C ATOM 1554 CD GLN A 98 0.179 -15.707 0.060 1.00 0.00 C ATOM 1555 OE1 GLN A 98 0.593 -15.114 1.057 1.00 0.00 O ATOM 1556 NE2 GLN A 98 -0.046 -17.016 0.048 1.00 0.00 N ATOM 0 H GLN A 98 -2.029 -13.213 -1.796 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.705 -13.010 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.415 -13.118 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.332 -13.451 -0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.167 -15.008 -1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.416 -15.458 -2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.389 -17.467 -0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.124 -17.570 0.887 1.00 0.00 H new ATOM 1565 N GLN A 99 0.156 -10.578 -1.439 1.00 0.00 N ATOM 1566 CA GLN A 99 0.692 -9.224 -1.493 1.00 0.00 C ATOM 1567 C GLN A 99 -0.183 -8.260 -0.700 1.00 0.00 C ATOM 1568 O GLN A 99 0.312 -7.306 -0.099 1.00 0.00 O ATOM 1569 CB GLN A 99 0.803 -8.754 -2.945 1.00 0.00 C ATOM 1570 CG GLN A 99 1.555 -7.442 -3.104 1.00 0.00 C ATOM 1571 CD GLN A 99 1.825 -7.097 -4.555 1.00 0.00 C ATOM 1572 OE1 GLN A 99 0.905 -6.789 -5.314 1.00 0.00 O ATOM 1573 NE2 GLN A 99 3.092 -7.146 -4.950 1.00 0.00 N ATOM 0 H GLN A 99 -0.040 -10.991 -2.351 1.00 0.00 H new ATOM 0 HA GLN A 99 1.686 -9.236 -1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.305 -9.524 -3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.199 -8.642 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.978 -6.639 -2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.501 -7.502 -2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.823 -7.406 -4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.334 -6.923 -5.916 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.487 -8.515 -0.701 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.432 -7.668 0.017 1.00 0.00 C ATOM 1584 C TYR A 100 -2.185 -7.729 1.521 1.00 0.00 C ATOM 1585 O TYR A 100 -1.817 -6.733 2.142 1.00 0.00 O ATOM 1586 CB TYR A 100 -3.868 -8.094 -0.293 1.00 0.00 C ATOM 1587 CG TYR A 100 -4.887 -7.539 0.677 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.271 -6.204 0.624 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.467 -8.349 1.645 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -6.201 -5.693 1.508 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.399 -7.847 2.532 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.762 -6.518 2.460 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.690 -6.013 3.342 1.00 0.00 O ATOM 0 H TYR A 100 -1.913 -9.301 -1.191 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.285 -6.640 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.125 -7.770 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.925 -9.182 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.835 -5.555 -0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.184 -9.390 1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.487 -4.653 1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.841 -8.491 3.278 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.988 -6.724 3.947 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.390 -8.908 2.100 1.00 0.00 N ATOM 1604 CA ALA A 101 -2.187 -9.102 3.531 1.00 0.00 C ATOM 1605 C ALA A 101 -0.873 -8.479 3.988 1.00 0.00 C ATOM 1606 O ALA A 101 -0.813 -7.829 5.032 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.218 -10.584 3.872 1.00 0.00 C ATOM 0 H ALA A 101 -2.696 -9.743 1.600 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.999 -8.602 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.065 -10.714 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.184 -11.002 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.427 -11.099 3.327 1.00 0.00 H new ATOM 1613 N ARG A 102 0.179 -8.682 3.201 1.00 0.00 N ATOM 1614 CA ARG A 102 1.493 -8.141 3.527 1.00 0.00 C ATOM 1615 C ARG A 102 1.449 -6.618 3.609 1.00 0.00 C ATOM 1616 O ARG A 102 1.641 -6.038 4.678 1.00 0.00 O ATOM 1617 CB ARG A 102 2.521 -8.577 2.482 1.00 0.00 C ATOM 1618 CG ARG A 102 2.877 -10.053 2.556 1.00 0.00 C ATOM 1619 CD ARG A 102 3.709 -10.487 1.360 1.00 0.00 C ATOM 1620 NE ARG A 102 3.848 -11.939 1.287 1.00 0.00 N ATOM 1621 CZ ARG A 102 4.641 -12.558 0.420 1.00 0.00 C ATOM 1622 NH1 ARG A 102 5.363 -11.856 -0.442 1.00 0.00 N ATOM 1623 NH2 ARG A 102 4.714 -13.883 0.415 1.00 0.00 N ATOM 0 H ARG A 102 0.147 -9.217 2.333 1.00 0.00 H new ATOM 0 HA ARG A 102 1.788 -8.531 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.133 -8.355 1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.428 -7.986 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.429 -10.249 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.964 -10.647 2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.245 -10.121 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.697 -10.031 1.421 1.00 0.00 H new ATOM 0 HE ARG A 102 3.307 -12.509 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.310 -10.837 -0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.971 -12.334 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.161 -14.427 1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.323 -14.358 -0.251 1.00 0.00 H new ATOM 1637 N TRP A 103 1.197 -5.977 2.473 1.00 0.00 N ATOM 1638 CA TRP A 103 1.129 -4.521 2.417 1.00 0.00 C ATOM 1639 C TRP A 103 0.080 -3.987 3.386 1.00 0.00 C ATOM 1640 O TRP A 103 0.409 -3.302 4.354 1.00 0.00 O ATOM 1641 CB TRP A 103 0.807 -4.060 0.994 1.00 0.00 C ATOM 1642 CG TRP A 103 2.009 -4.009 0.100 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.547 -5.043 -0.610 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.823 -2.864 -0.176 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.647 -4.610 -1.312 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.837 -3.277 -1.063 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.794 -1.529 0.238 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.810 -2.403 -1.540 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.760 -0.663 -0.236 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.757 -1.102 -1.118 1.00 0.00 C ATOM 0 H TRP A 103 1.037 -6.442 1.579 1.00 0.00 H new ATOM 0 HA TRP A 103 2.102 -4.125 2.709 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.068 -4.734 0.560 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.351 -3.071 1.035 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.165 -6.053 -0.619 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.227 -5.188 -1.920 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.029 -1.181 0.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.579 -2.740 -2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.747 0.370 0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.498 -0.400 -1.471 1.00 0.00 H new ATOM 1661 N MET A 104 -1.182 -4.305 3.120 1.00 0.00 N ATOM 1662 CA MET A 104 -2.278 -3.857 3.972 1.00 0.00 C ATOM 1663 C MET A 104 -1.875 -3.896 5.442 1.00 0.00 C ATOM 1664 O MET A 104 -1.815 -2.862 6.107 1.00 0.00 O ATOM 1665 CB MET A 104 -3.516 -4.728 3.747 1.00 0.00 C ATOM 1666 CG MET A 104 -4.573 -4.573 4.828 1.00 0.00 C ATOM 1667 SD MET A 104 -4.891 -2.848 5.246 1.00 0.00 S ATOM 1668 CE MET A 104 -6.310 -2.506 4.208 1.00 0.00 C ATOM 0 H MET A 104 -1.472 -4.871 2.322 1.00 0.00 H new ATOM 0 HA MET A 104 -2.514 -2.827 3.706 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.956 -4.477 2.782 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.210 -5.773 3.696 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.500 -5.039 4.494 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.253 -5.107 5.723 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.168 -1.552 3.700 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.419 -3.299 3.468 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.208 -2.458 4.824 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.600 -5.095 5.944 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.201 -5.268 7.336 1.00 0.00 C ATOM 1680 C ALA A 105 -0.136 -4.250 7.732 1.00 0.00 C ATOM 1681 O ALA A 105 -0.139 -3.738 8.850 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.693 -6.683 7.568 1.00 0.00 C ATOM 0 H ALA A 105 -1.646 -5.961 5.408 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.077 -5.101 7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.399 -6.797 8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.483 -7.396 7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.167 -6.871 6.926 1.00 0.00 H new ATOM 1688 N GLY A 106 0.775 -3.963 6.806 1.00 0.00 N ATOM 1689 CA GLY A 106 1.834 -3.009 7.079 1.00 0.00 C ATOM 1690 C GLY A 106 1.310 -1.599 7.265 1.00 0.00 C ATOM 1691 O GLY A 106 1.753 -0.878 8.160 1.00 0.00 O ATOM 0 H GLY A 106 0.798 -4.374 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.372 -3.315 7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.551 -3.022 6.258 1.00 0.00 H new ATOM 1695 N CYS A 107 0.365 -1.204 6.419 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.218 0.131 6.493 1.00 0.00 C ATOM 1697 C CYS A 107 -0.908 0.349 7.836 1.00 0.00 C ATOM 1698 O CYS A 107 -0.693 1.364 8.498 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.217 0.337 5.353 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.451 0.532 3.727 1.00 0.00 S ATOM 0 H CYS A 107 -0.014 -1.789 5.674 1.00 0.00 H new ATOM 0 HA CYS A 107 0.588 0.859 6.397 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.898 -0.514 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.820 1.220 5.567 1.00 0.00 H new ATOM 0 HG CYS A 107 -1.376 0.698 2.829 1.00 0.00 H new ATOM 1706 N ARG A 108 -1.740 -0.610 8.230 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.464 -0.522 9.493 1.00 0.00 C ATOM 1708 C ARG A 108 -1.498 -0.366 10.664 1.00 0.00 C ATOM 1709 O ARG A 108 -1.695 0.481 11.536 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.332 -1.765 9.695 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.613 -1.753 8.877 1.00 0.00 C ATOM 1712 CD ARG A 108 -5.150 -3.159 8.662 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.619 -3.762 9.907 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.749 -3.415 10.512 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -7.522 -2.473 9.989 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -7.108 -4.010 11.642 1.00 0.00 N ATOM 0 H ARG A 108 -1.929 -1.456 7.693 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.106 0.358 9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.752 -2.650 9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.586 -1.852 10.751 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.365 -1.149 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.425 -1.283 7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.969 -3.128 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.369 -3.783 8.229 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.047 -4.490 10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.249 -2.013 9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.390 -2.208 10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.516 -4.735 12.047 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.976 -3.743 12.106 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.455 -1.189 10.677 1.00 0.00 N ATOM 1731 CA LEU A 109 0.541 -1.144 11.741 1.00 0.00 C ATOM 1732 C LEU A 109 1.168 0.243 11.842 1.00 0.00 C ATOM 1733 O LEU A 109 1.449 0.729 12.937 1.00 0.00 O ATOM 1734 CB LEU A 109 1.629 -2.191 11.492 1.00 0.00 C ATOM 1735 CG LEU A 109 1.211 -3.650 11.676 1.00 0.00 C ATOM 1736 CD1 LEU A 109 2.063 -4.563 10.808 1.00 0.00 C ATOM 1737 CD2 LEU A 109 1.313 -4.054 13.139 1.00 0.00 C ATOM 0 H LEU A 109 -0.277 -1.895 9.963 1.00 0.00 H new ATOM 0 HA LEU A 109 0.040 -1.366 12.684 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.000 -2.066 10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.463 -1.986 12.163 1.00 0.00 H new ATOM 0 HG LEU A 109 0.172 -3.752 11.364 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.751 -5.597 10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.939 -4.289 9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.111 -4.458 11.088 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.012 -5.096 13.251 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.342 -3.936 13.478 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.659 -3.421 13.738 1.00 0.00 H new ATOM 1749 N ALA A 110 1.381 0.875 10.693 1.00 0.00 N ATOM 1750 CA ALA A 110 1.970 2.208 10.652 1.00 0.00 C ATOM 1751 C ALA A 110 0.969 3.264 11.109 1.00 0.00 C ATOM 1752 O ALA A 110 1.328 4.211 11.810 1.00 0.00 O ATOM 1753 CB ALA A 110 2.469 2.522 9.249 1.00 0.00 C ATOM 0 H ALA A 110 1.155 0.486 9.778 1.00 0.00 H new ATOM 0 HA ALA A 110 2.816 2.226 11.339 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.906 3.520 9.233 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.224 1.791 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.635 2.480 8.548 1.00 0.00 H new ATOM 1759 N SER A 111 -0.286 3.097 10.706 1.00 0.00 N ATOM 1760 CA SER A 111 -1.338 4.039 11.071 1.00 0.00 C ATOM 1761 C SER A 111 -1.481 4.133 12.587 1.00 0.00 C ATOM 1762 O SER A 111 -1.671 5.217 13.138 1.00 0.00 O ATOM 1763 CB SER A 111 -2.669 3.616 10.446 1.00 0.00 C ATOM 1764 OG SER A 111 -3.742 4.381 10.967 1.00 0.00 O ATOM 0 H SER A 111 -0.600 2.318 10.127 1.00 0.00 H new ATOM 0 HA SER A 111 -1.061 5.022 10.689 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.622 3.739 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.845 2.558 10.639 1.00 0.00 H new ATOM 0 HG SER A 111 -4.011 5.057 10.310 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.389 2.989 13.255 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.507 2.939 14.708 1.00 0.00 C ATOM 1772 C LYS A 112 -0.166 3.234 15.373 1.00 0.00 C ATOM 1773 O LYS A 112 -0.018 3.085 16.585 1.00 0.00 O ATOM 1774 CB LYS A 112 -2.018 1.567 15.152 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.318 1.156 14.483 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.525 1.687 15.238 1.00 0.00 C ATOM 1777 CE LYS A 112 -5.818 1.069 14.727 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.888 1.086 15.762 1.00 0.00 N ATOM 0 H LYS A 112 -1.233 2.083 12.814 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.221 3.703 15.016 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.256 0.818 14.937 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.162 1.574 16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.335 1.529 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.372 0.069 14.427 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.414 1.473 16.301 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.573 2.771 15.134 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.157 1.613 13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.631 0.042 14.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.752 0.656 15.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.575 0.545 16.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.085 2.068 16.042 1.00 0.00 H new ATOM 1792 N GLY A 113 0.807 3.655 14.571 1.00 0.00 N ATOM 1793 CA GLY A 113 2.122 3.965 15.100 1.00 0.00 C ATOM 1794 C GLY A 113 3.064 2.779 15.047 1.00 0.00 C ATOM 1795 O GLY A 113 4.273 2.944 14.887 1.00 0.00 O ATOM 0 H GLY A 113 0.708 3.787 13.564 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.552 4.792 14.534 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.025 4.302 16.132 1.00 0.00 H new ATOM 1799 N ARG A 114 2.509 1.579 15.182 1.00 0.00 N ATOM 1800 CA ARG A 114 3.309 0.360 15.151 1.00 0.00 C ATOM 1801 C ARG A 114 4.106 0.266 13.853 1.00 0.00 C ATOM 1802 O ARG A 114 3.950 1.092 12.954 1.00 0.00 O ATOM 1803 CB ARG A 114 2.409 -0.869 15.299 1.00 0.00 C ATOM 1804 CG ARG A 114 1.705 -0.949 16.644 1.00 0.00 C ATOM 1805 CD ARG A 114 0.575 -1.966 16.621 1.00 0.00 C ATOM 1806 NE ARG A 114 0.150 -2.344 17.966 1.00 0.00 N ATOM 1807 CZ ARG A 114 -0.706 -3.327 18.218 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -1.226 -4.029 17.221 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -1.043 -3.611 19.469 1.00 0.00 N ATOM 0 H ARG A 114 1.509 1.425 15.314 1.00 0.00 H new ATOM 0 HA ARG A 114 4.009 0.393 15.986 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.661 -0.859 14.507 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.009 -1.768 15.158 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.424 -1.220 17.417 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.308 0.032 16.907 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.273 -1.553 16.076 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.899 -2.855 16.080 1.00 0.00 H new ATOM 0 HE ARG A 114 0.532 -1.824 18.756 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -0.969 -3.814 16.258 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -1.883 -4.784 17.417 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -0.644 -3.074 20.239 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.701 -4.367 19.661 1.00 0.00 H new ATOM 1823 N THR A 115 4.963 -0.747 13.763 1.00 0.00 N ATOM 1824 CA THR A 115 5.786 -0.948 12.578 1.00 0.00 C ATOM 1825 C THR A 115 5.920 -2.430 12.247 1.00 0.00 C ATOM 1826 O THR A 115 5.749 -3.287 13.113 1.00 0.00 O ATOM 1827 CB THR A 115 7.192 -0.346 12.761 1.00 0.00 C ATOM 1828 OG1 THR A 115 7.961 -1.161 13.654 1.00 0.00 O ATOM 1829 CG2 THR A 115 7.107 1.071 13.307 1.00 0.00 C ATOM 0 H THR A 115 5.104 -1.441 14.497 1.00 0.00 H new ATOM 0 HA THR A 115 5.285 -0.438 11.755 1.00 0.00 H new ATOM 0 HB THR A 115 7.679 -0.314 11.787 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.854 -0.773 13.764 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.112 1.475 13.428 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.546 1.696 12.612 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.602 1.059 14.273 1.00 0.00 H new ATOM 1837 N MET A 116 6.227 -2.725 10.988 1.00 0.00 N ATOM 1838 CA MET A 116 6.385 -4.105 10.543 1.00 0.00 C ATOM 1839 C MET A 116 7.387 -4.848 11.422 1.00 0.00 C ATOM 1840 O MET A 116 7.256 -6.050 11.648 1.00 0.00 O ATOM 1841 CB MET A 116 6.842 -4.144 9.084 1.00 0.00 C ATOM 1842 CG MET A 116 6.357 -5.370 8.327 1.00 0.00 C ATOM 1843 SD MET A 116 6.510 -5.189 6.540 1.00 0.00 S ATOM 1844 CE MET A 116 7.913 -4.081 6.431 1.00 0.00 C ATOM 0 H MET A 116 6.371 -2.027 10.258 1.00 0.00 H new ATOM 0 HA MET A 116 5.418 -4.600 10.626 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.484 -3.248 8.576 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.931 -4.115 9.052 1.00 0.00 H new ATOM 0 HG2 MET A 116 6.927 -6.241 8.650 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.314 -5.560 8.581 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.299 -4.081 5.411 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.601 -3.072 6.701 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.694 -4.414 7.114 1.00 0.00 H new ATOM 1854 N ALA A 117 8.386 -4.124 11.914 1.00 0.00 N ATOM 1855 CA ALA A 117 9.409 -4.714 12.769 1.00 0.00 C ATOM 1856 C ALA A 117 8.780 -5.542 13.885 1.00 0.00 C ATOM 1857 O ALA A 117 9.314 -6.579 14.277 1.00 0.00 O ATOM 1858 CB ALA A 117 10.300 -3.628 13.353 1.00 0.00 C ATOM 0 H ALA A 117 8.509 -3.127 11.735 1.00 0.00 H new ATOM 0 HA ALA A 117 10.019 -5.379 12.158 1.00 0.00 H new ATOM 0 HB1 ALA A 117 11.059 -4.083 13.989 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.785 -3.081 12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.695 -2.940 13.945 1.00 0.00 H new ATOM 1864 N ASP A 118 7.644 -5.076 14.393 1.00 0.00 N ATOM 1865 CA ASP A 118 6.943 -5.774 15.464 1.00 0.00 C ATOM 1866 C ASP A 118 6.434 -7.131 14.986 1.00 0.00 C ATOM 1867 O ASP A 118 6.228 -7.342 13.791 1.00 0.00 O ATOM 1868 CB ASP A 118 5.775 -4.928 15.973 1.00 0.00 C ATOM 1869 CG ASP A 118 5.332 -5.332 17.366 1.00 0.00 C ATOM 1870 OD1 ASP A 118 4.499 -6.256 17.478 1.00 0.00 O ATOM 1871 OD2 ASP A 118 5.816 -4.724 18.343 1.00 0.00 O ATOM 0 H ASP A 118 7.189 -4.218 14.080 1.00 0.00 H new ATOM 0 HA ASP A 118 7.647 -5.937 16.280 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.066 -3.878 15.978 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.934 -5.023 15.286 1.00 0.00 H new ATOM 1876 N SER A 119 6.234 -8.047 15.928 1.00 0.00 N ATOM 1877 CA SER A 119 5.754 -9.385 15.603 1.00 0.00 C ATOM 1878 C SER A 119 4.302 -9.343 15.137 1.00 0.00 C ATOM 1879 O SER A 119 3.910 -10.070 14.224 1.00 0.00 O ATOM 1880 CB SER A 119 5.885 -10.306 16.818 1.00 0.00 C ATOM 1881 OG SER A 119 7.196 -10.835 16.917 1.00 0.00 O ATOM 0 H SER A 119 6.397 -7.887 16.922 1.00 0.00 H new ATOM 0 HA SER A 119 6.367 -9.777 14.791 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.643 -9.753 17.726 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.165 -11.121 16.740 1.00 0.00 H new ATOM 0 HG SER A 119 7.255 -11.419 17.702 1.00 0.00 H new ATOM 1887 N SER A 120 3.508 -8.486 15.771 1.00 0.00 N ATOM 1888 CA SER A 120 2.098 -8.351 15.425 1.00 0.00 C ATOM 1889 C SER A 120 1.905 -8.373 13.912 1.00 0.00 C ATOM 1890 O SER A 120 0.901 -8.878 13.410 1.00 0.00 O ATOM 1891 CB SER A 120 1.532 -7.052 16.004 1.00 0.00 C ATOM 1892 OG SER A 120 1.342 -7.158 17.404 1.00 0.00 O ATOM 0 H SER A 120 3.817 -7.875 16.527 1.00 0.00 H new ATOM 0 HA SER A 120 1.561 -9.197 15.854 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.211 -6.227 15.787 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.583 -6.818 15.522 1.00 0.00 H new ATOM 0 HG SER A 120 0.981 -6.315 17.750 1.00 0.00 H new ATOM 1898 N TYR A 121 2.875 -7.823 13.190 1.00 0.00 N ATOM 1899 CA TYR A 121 2.812 -7.777 11.734 1.00 0.00 C ATOM 1900 C TYR A 121 2.225 -9.068 11.173 1.00 0.00 C ATOM 1901 O TYR A 121 1.163 -9.063 10.549 1.00 0.00 O ATOM 1902 CB TYR A 121 4.206 -7.541 11.150 1.00 0.00 C ATOM 1903 CG TYR A 121 4.316 -7.895 9.684 1.00 0.00 C ATOM 1904 CD1 TYR A 121 3.628 -7.168 8.720 1.00 0.00 C ATOM 1905 CD2 TYR A 121 5.109 -8.956 9.263 1.00 0.00 C ATOM 1906 CE1 TYR A 121 3.725 -7.488 7.380 1.00 0.00 C ATOM 1907 CE2 TYR A 121 5.213 -9.282 7.924 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.519 -8.546 6.987 1.00 0.00 C ATOM 1909 OH TYR A 121 4.619 -8.867 5.653 1.00 0.00 O ATOM 0 H TYR A 121 3.714 -7.403 13.589 1.00 0.00 H new ATOM 0 HA TYR A 121 2.161 -6.950 11.450 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.474 -6.493 11.283 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.931 -8.129 11.713 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.007 -6.338 9.024 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.653 -9.535 9.994 1.00 0.00 H new ATOM 0 HE1 TYR A 121 3.182 -6.913 6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 121 5.834 -10.109 7.613 1.00 0.00 H new ATOM 0 HH TYR A 121 5.218 -9.635 5.545 1.00 0.00 H new ATOM 1919 N THR A 122 2.924 -10.176 11.400 1.00 0.00 N ATOM 1920 CA THR A 122 2.474 -11.476 10.918 1.00 0.00 C ATOM 1921 C THR A 122 1.105 -11.830 11.488 1.00 0.00 C ATOM 1922 O THR A 122 0.308 -12.506 10.838 1.00 0.00 O ATOM 1923 CB THR A 122 3.474 -12.588 11.286 1.00 0.00 C ATOM 1924 OG1 THR A 122 3.246 -13.742 10.469 1.00 0.00 O ATOM 1925 CG2 THR A 122 3.346 -12.967 12.754 1.00 0.00 C ATOM 0 H THR A 122 3.804 -10.199 11.915 1.00 0.00 H new ATOM 0 HA THR A 122 2.405 -11.404 9.833 1.00 0.00 H new ATOM 0 HB THR A 122 4.482 -12.212 11.110 1.00 0.00 H new ATOM 0 HG1 THR A 122 3.887 -14.444 10.708 1.00 0.00 H new ATOM 0 HG21 THR A 122 4.062 -13.754 12.990 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.549 -12.094 13.374 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.335 -13.325 12.951 1.00 0.00 H new ATOM 1933 N SER A 123 0.839 -11.368 12.705 1.00 0.00 N ATOM 1934 CA SER A 123 -0.434 -11.639 13.364 1.00 0.00 C ATOM 1935 C SER A 123 -1.600 -11.116 12.530 1.00 0.00 C ATOM 1936 O SER A 123 -2.724 -11.602 12.643 1.00 0.00 O ATOM 1937 CB SER A 123 -0.459 -10.999 14.754 1.00 0.00 C ATOM 1938 OG SER A 123 -1.397 -11.647 15.596 1.00 0.00 O ATOM 0 H SER A 123 1.487 -10.804 13.255 1.00 0.00 H new ATOM 0 HA SER A 123 -0.539 -12.719 13.467 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.534 -11.053 15.201 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.712 -9.942 14.667 1.00 0.00 H new ATOM 0 HG SER A 123 -1.393 -11.221 16.479 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.321 -10.122 11.692 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.346 -9.532 10.840 1.00 0.00 C ATOM 1946 C GLU A 124 -2.475 -10.304 9.530 1.00 0.00 C ATOM 1947 O GLU A 124 -3.579 -10.632 9.095 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.019 -8.066 10.550 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.429 -7.119 11.665 1.00 0.00 C ATOM 1950 CD GLU A 124 -3.876 -6.678 11.553 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -4.445 -6.783 10.447 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -4.439 -6.229 12.574 1.00 0.00 O ATOM 0 H GLU A 124 -0.394 -9.709 11.585 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.297 -9.586 11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.947 -7.969 10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.518 -7.767 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.276 -7.608 12.627 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -1.783 -6.241 11.647 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.337 -10.591 8.905 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.321 -11.325 7.645 1.00 0.00 C ATOM 1961 C VAL A 125 -2.115 -12.622 7.754 1.00 0.00 C ATOM 1962 O VAL A 125 -2.846 -12.992 6.836 1.00 0.00 O ATOM 1963 CB VAL A 125 0.118 -11.652 7.204 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.112 -12.449 5.909 1.00 0.00 C ATOM 1965 CG2 VAL A 125 0.932 -10.376 7.051 1.00 0.00 C ATOM 0 H VAL A 125 -0.415 -10.326 9.251 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.784 -10.681 6.898 1.00 0.00 H new ATOM 0 HB VAL A 125 0.585 -12.263 7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.137 -12.671 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.432 -13.382 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.374 -11.867 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.946 -10.626 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.469 -9.737 6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 125 0.966 -9.849 8.005 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.966 -13.307 8.883 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.669 -14.564 9.112 1.00 0.00 C ATOM 1977 C GLN A 126 -4.167 -14.327 9.271 1.00 0.00 C ATOM 1978 O GLN A 126 -4.967 -14.773 8.449 1.00 0.00 O ATOM 1979 CB GLN A 126 -2.116 -15.263 10.355 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.599 -15.348 10.380 1.00 0.00 C ATOM 1981 CD GLN A 126 -0.072 -16.586 9.681 1.00 0.00 C ATOM 1982 OE1 GLN A 126 -0.731 -17.626 9.655 1.00 0.00 O ATOM 1983 NE2 GLN A 126 1.122 -16.481 9.110 1.00 0.00 N ATOM 0 H GLN A 126 -1.365 -13.013 9.653 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.511 -15.204 8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.457 -14.730 11.243 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -2.529 -16.270 10.409 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.181 -14.461 9.904 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.256 -15.346 11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.634 -15.600 9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.528 -17.282 8.625 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.541 -13.624 10.335 1.00 0.00 N ATOM 1993 CA ALA A 127 -5.943 -13.327 10.602 1.00 0.00 C ATOM 1994 C ALA A 127 -6.688 -12.995 9.313 1.00 0.00 C ATOM 1995 O ALA A 127 -7.832 -13.410 9.123 1.00 0.00 O ATOM 1996 CB ALA A 127 -6.060 -12.178 11.592 1.00 0.00 C ATOM 0 H ALA A 127 -3.892 -13.249 11.027 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.401 -14.215 11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -7.112 -11.967 11.782 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.570 -12.452 12.527 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.581 -11.291 11.178 1.00 0.00 H new ATOM 2002 N ILE A 128 -6.033 -12.246 8.433 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.635 -11.860 7.162 1.00 0.00 C ATOM 2004 C ILE A 128 -6.834 -13.071 6.258 1.00 0.00 C ATOM 2005 O ILE A 128 -7.965 -13.456 5.957 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.772 -10.819 6.425 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.597 -9.567 7.287 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -6.401 -10.463 5.086 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.371 -8.755 6.931 1.00 0.00 C ATOM 0 H ILE A 128 -5.086 -11.894 8.576 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.605 -11.419 7.392 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.788 -11.250 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.482 -8.938 7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.536 -9.862 8.334 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.780 -9.726 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -6.479 -11.359 4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.395 -10.048 5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.311 -7.883 7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.479 -9.367 7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.439 -8.429 5.893 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.729 -13.669 5.827 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.781 -14.839 4.958 1.00 0.00 C ATOM 2023 C LEU A 129 -6.976 -15.722 5.304 1.00 0.00 C ATOM 2024 O LEU A 129 -7.706 -16.170 4.420 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.486 -15.645 5.075 1.00 0.00 C ATOM 2026 CG LEU A 129 -3.306 -15.144 4.243 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -2.033 -15.885 4.621 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -3.595 -15.301 2.757 1.00 0.00 C ATOM 0 H LEU A 129 -4.786 -13.363 6.065 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.894 -14.492 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -4.185 -15.661 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.696 -16.675 4.788 1.00 0.00 H new ATOM 0 HG LEU A 129 -3.162 -14.084 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.204 -15.515 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.816 -15.721 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.165 -16.952 4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.744 -14.939 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.767 -16.353 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -4.482 -14.724 2.496 1.00 0.00 H new ATOM 2040 N ALA A 130 -7.170 -15.966 6.596 1.00 0.00 N ATOM 2041 CA ALA A 130 -8.279 -16.791 7.059 1.00 0.00 C ATOM 2042 C ALA A 130 -9.607 -16.056 6.918 1.00 0.00 C ATOM 2043 O ALA A 130 -10.528 -16.539 6.259 1.00 0.00 O ATOM 2044 CB ALA A 130 -8.057 -17.210 8.505 1.00 0.00 C ATOM 0 H ALA A 130 -6.574 -15.604 7.340 1.00 0.00 H new ATOM 0 HA ALA A 130 -8.320 -17.684 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.893 -17.826 8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.132 -17.782 8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -7.987 -16.323 9.134 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.700 -14.886 7.540 1.00 0.00 N ATOM 2051 CA PHE A 131 -10.917 -14.084 7.485 1.00 0.00 C ATOM 2052 C PHE A 131 -11.537 -14.133 6.092 1.00 0.00 C ATOM 2053 O PHE A 131 -12.728 -14.408 5.940 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.616 -12.634 7.871 1.00 0.00 C ATOM 2055 CG PHE A 131 -11.769 -11.700 7.637 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -12.916 -11.788 8.410 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.706 -10.735 6.645 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -13.978 -10.930 8.198 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -12.765 -9.874 6.429 1.00 0.00 C ATOM 2060 CZ PHE A 131 -13.903 -9.972 7.206 1.00 0.00 C ATOM 0 H PHE A 131 -8.947 -14.471 8.089 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.630 -14.501 8.196 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -10.337 -12.597 8.924 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.755 -12.286 7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -12.980 -12.536 9.187 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -10.819 -10.655 6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -14.866 -11.008 8.808 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -12.703 -9.125 5.653 1.00 0.00 H new ATOM 0 HZ PHE A 131 -14.732 -9.301 7.038 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.722 -13.864 5.078 1.00 0.00 N ATOM 2071 CA LEU A 132 -11.190 -13.877 3.696 1.00 0.00 C ATOM 2072 C LEU A 132 -11.911 -15.182 3.378 1.00 0.00 C ATOM 2073 O LEU A 132 -13.022 -15.176 2.847 1.00 0.00 O ATOM 2074 CB LEU A 132 -10.014 -13.683 2.737 1.00 0.00 C ATOM 2075 CG LEU A 132 -9.168 -12.429 2.958 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.851 -12.535 2.205 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -9.933 -11.187 2.526 1.00 0.00 C ATOM 0 H LEU A 132 -9.734 -13.634 5.187 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.894 -13.055 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -9.363 -14.554 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -10.402 -13.661 1.718 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.949 -12.344 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.262 -11.634 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -7.297 -13.403 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -8.049 -12.644 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.316 -10.304 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -10.183 -11.263 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -10.850 -11.103 3.110 1.00 0.00 H new ATOM 2089 N SER A 133 -11.273 -16.301 3.707 1.00 0.00 N ATOM 2090 CA SER A 133 -11.853 -17.615 3.455 1.00 0.00 C ATOM 2091 C SER A 133 -13.242 -17.724 4.077 1.00 0.00 C ATOM 2092 O SER A 133 -14.166 -18.266 3.469 1.00 0.00 O ATOM 2093 CB SER A 133 -10.945 -18.712 4.011 1.00 0.00 C ATOM 2094 OG SER A 133 -11.190 -19.952 3.370 1.00 0.00 O ATOM 0 H SER A 133 -10.354 -16.324 4.149 1.00 0.00 H new ATOM 0 HA SER A 133 -11.946 -17.743 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.901 -18.428 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 133 -11.109 -18.815 5.084 1.00 0.00 H new ATOM 0 HG SER A 133 -10.595 -20.636 3.743 1.00 0.00 H new ATOM 2100 N LEU A 134 -13.381 -17.206 5.292 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.657 -17.244 5.998 1.00 0.00 C ATOM 2102 C LEU A 134 -15.735 -16.502 5.216 1.00 0.00 C ATOM 2103 O LEU A 134 -16.847 -17.002 5.046 1.00 0.00 O ATOM 2104 CB LEU A 134 -14.509 -16.632 7.392 1.00 0.00 C ATOM 2105 CG LEU A 134 -13.345 -17.153 8.235 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -13.181 -16.319 9.495 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -13.556 -18.619 8.587 1.00 0.00 C ATOM 0 H LEU A 134 -12.626 -16.755 5.809 1.00 0.00 H new ATOM 0 HA LEU A 134 -14.959 -18.287 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -14.398 -15.553 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -15.434 -16.803 7.942 1.00 0.00 H new ATOM 0 HG LEU A 134 -12.431 -17.068 7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -12.348 -16.706 10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -12.983 -15.283 9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -14.095 -16.370 10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -12.718 -18.973 9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -14.480 -18.728 9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -13.621 -19.207 7.672 1.00 0.00 H new