USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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 73 ASN : amide:sc=-0.00181 K(o=-0.29,f=-2.3) USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.39) USER MOD Set 2.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 88 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=0) USER MOD Set 3.1: A 29 MET CE :methyl 163:sc= -0.51 (180deg=-0.842) USER MOD Set 3.2: A 70 SER OG : rot 55:sc= 1.34 USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 0.385 USER MOD Set 4.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -131:sc= -4.26! (180deg=-8.94!) USER MOD Single : A 1 MET N :NH3+ -133:sc= 1.29 (180deg=-1.25!) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0.995) USER MOD Single : A 7 ASN : amide:sc= -0.0951 K(o=-0.095,f=-0.76) USER MOD Single : A 8 CYS SG : rot -140:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.043) USER MOD Single : A 12 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 142:sc= 1.16 (180deg=0.916) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -126:sc= -0.298 (180deg=-0.977) USER MOD Single : A 28 HIS : no HD1:sc= -1.05! C(o=-1!,f=-7.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -77:sc= 1.28 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -124:sc= 0.15 (180deg=-0.13) USER MOD Single : A 45 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.56) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -2.74! K(o=-2.7!,f=-0.16) USER MOD Single : A 51 GLN : amide:sc= -0.674 K(o=-0.67,f=-2.2!) USER MOD Single : A 55 MET CE :methyl -131:sc= -2.57! (180deg=-5.86!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -162:sc= -5.94! (180deg=-10!) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -0.164 (180deg=-0.548) USER MOD Single : A 63 LYS NZ :NH3+ 135:sc= 1.27 (180deg=-0.682) USER MOD Single : A 65 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.3!) USER MOD Single : A 67 SER OG : rot -120:sc= -0.382 USER MOD Single : A 68 TYR OH : rot 156:sc= -4.74! USER MOD Single : A 80 TYR OH : rot 130:sc= -0.0655 USER MOD Single : A 81 LYS NZ :NH3+ -179:sc= 1.11 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 61 N MET A 1 6.392 -7.157 -8.989 1.00 0.00 N ATOM 62 CA MET A 1 5.783 -6.676 -10.221 1.00 0.00 C ATOM 63 C MET A 1 6.837 -6.407 -11.282 1.00 0.00 C ATOM 64 O MET A 1 8.027 -6.631 -11.068 1.00 0.00 O ATOM 65 CB MET A 1 4.937 -5.419 -9.988 1.00 0.00 C ATOM 66 CG MET A 1 5.705 -4.195 -9.529 1.00 0.00 C ATOM 67 SD MET A 1 6.425 -4.388 -7.894 1.00 0.00 S ATOM 68 CE MET A 1 6.918 -2.705 -7.580 1.00 0.00 C ATOM 0 H1 MET A 1 5.871 -7.989 -8.646 1.00 0.00 H new ATOM 0 H2 MET A 1 7.382 -7.419 -9.170 1.00 0.00 H new ATOM 0 H3 MET A 1 6.359 -6.407 -8.270 1.00 0.00 H new ATOM 0 HA MET A 1 5.120 -7.465 -10.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.417 -5.175 -10.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.173 -5.648 -9.245 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.498 -3.981 -10.246 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.037 -3.334 -9.526 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.952 -2.687 -7.235 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.831 -2.123 -8.498 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.273 -2.274 -6.815 1.00 0.00 H new ATOM 78 N ASP A 2 6.381 -5.942 -12.427 1.00 0.00 N ATOM 79 CA ASP A 2 7.272 -5.659 -13.546 1.00 0.00 C ATOM 80 C ASP A 2 8.197 -4.499 -13.232 1.00 0.00 C ATOM 81 O ASP A 2 7.774 -3.479 -12.694 1.00 0.00 O ATOM 82 CB ASP A 2 6.474 -5.357 -14.818 1.00 0.00 C ATOM 83 CG ASP A 2 7.297 -5.517 -16.088 1.00 0.00 C ATOM 84 OD1 ASP A 2 8.391 -4.923 -16.184 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.842 -6.230 -17.002 1.00 0.00 O ATOM 0 H ASP A 2 5.397 -5.750 -12.613 1.00 0.00 H new ATOM 0 HA ASP A 2 7.878 -6.550 -13.713 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.611 -6.021 -14.865 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.090 -4.338 -14.766 1.00 0.00 H new ATOM 90 N ALA A 3 9.462 -4.662 -13.580 1.00 0.00 N ATOM 91 CA ALA A 3 10.462 -3.638 -13.361 1.00 0.00 C ATOM 92 C ALA A 3 10.143 -2.402 -14.193 1.00 0.00 C ATOM 93 O ALA A 3 10.373 -1.284 -13.755 1.00 0.00 O ATOM 94 CB ALA A 3 11.844 -4.174 -13.700 1.00 0.00 C ATOM 0 H ALA A 3 9.822 -5.508 -14.022 1.00 0.00 H new ATOM 0 HA ALA A 3 10.452 -3.354 -12.309 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.588 -3.395 -13.531 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.067 -5.032 -13.066 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.869 -4.480 -14.746 1.00 0.00 H new ATOM 100 N LYS A 4 9.583 -2.613 -15.379 1.00 0.00 N ATOM 101 CA LYS A 4 9.212 -1.508 -16.253 1.00 0.00 C ATOM 102 C LYS A 4 8.098 -0.699 -15.598 1.00 0.00 C ATOM 103 O LYS A 4 8.159 0.531 -15.541 1.00 0.00 O ATOM 104 CB LYS A 4 8.751 -2.045 -17.613 1.00 0.00 C ATOM 105 CG LYS A 4 9.165 -1.193 -18.809 1.00 0.00 C ATOM 106 CD LYS A 4 8.562 0.200 -18.765 1.00 0.00 C ATOM 107 CE LYS A 4 8.877 0.986 -20.025 1.00 0.00 C ATOM 108 NZ LYS A 4 8.119 0.489 -21.197 1.00 0.00 N ATOM 0 H LYS A 4 9.377 -3.538 -15.756 1.00 0.00 H new ATOM 0 HA LYS A 4 10.077 -0.864 -16.412 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.150 -3.051 -17.745 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.664 -2.132 -17.605 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.252 -1.115 -18.837 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.858 -1.690 -19.729 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.481 0.126 -18.643 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.945 0.735 -17.896 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.644 2.038 -19.863 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.945 0.925 -20.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.232 1.152 -21.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.481 -0.446 -21.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.111 0.412 -20.951 1.00 0.00 H new ATOM 122 N ALA A 5 7.098 -1.398 -15.063 1.00 0.00 N ATOM 123 CA ALA A 5 5.998 -0.741 -14.376 1.00 0.00 C ATOM 124 C ALA A 5 6.529 -0.065 -13.116 1.00 0.00 C ATOM 125 O ALA A 5 6.336 1.135 -12.907 1.00 0.00 O ATOM 126 CB ALA A 5 4.923 -1.761 -14.029 1.00 0.00 C ATOM 0 H ALA A 5 7.031 -2.415 -15.094 1.00 0.00 H new ATOM 0 HA ALA A 5 5.554 0.015 -15.024 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.101 -1.263 -13.514 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.551 -2.223 -14.943 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.345 -2.528 -13.380 1.00 0.00 H new ATOM 132 N ARG A 6 7.224 -0.853 -12.292 1.00 0.00 N ATOM 133 CA ARG A 6 7.812 -0.366 -11.044 1.00 0.00 C ATOM 134 C ARG A 6 8.697 0.862 -11.262 1.00 0.00 C ATOM 135 O ARG A 6 8.725 1.780 -10.442 1.00 0.00 O ATOM 136 CB ARG A 6 8.619 -1.495 -10.396 1.00 0.00 C ATOM 137 CG ARG A 6 9.408 -1.080 -9.166 1.00 0.00 C ATOM 138 CD ARG A 6 10.859 -0.788 -9.497 1.00 0.00 C ATOM 139 NE ARG A 6 11.580 -1.999 -9.883 1.00 0.00 N ATOM 140 CZ ARG A 6 12.900 -2.075 -10.042 1.00 0.00 C ATOM 141 NH1 ARG A 6 13.672 -1.025 -9.822 1.00 0.00 N ATOM 142 NH2 ARG A 6 13.445 -3.212 -10.421 1.00 0.00 N ATOM 0 H ARG A 6 7.394 -1.843 -12.471 1.00 0.00 H new ATOM 0 HA ARG A 6 7.001 -0.058 -10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.937 -2.300 -10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.310 -1.901 -11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.951 -0.195 -8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.358 -1.872 -8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.908 -0.061 -10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.345 -0.335 -8.633 1.00 0.00 H new ATOM 0 HE ARG A 6 11.034 -2.846 -10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.258 -0.141 -9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.681 -1.099 -9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.857 -4.028 -10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.455 -3.277 -10.545 1.00 0.00 H new ATOM 156 N ASN A 7 9.430 0.864 -12.358 1.00 0.00 N ATOM 157 CA ASN A 7 10.323 1.961 -12.669 1.00 0.00 C ATOM 158 C ASN A 7 9.565 3.176 -13.139 1.00 0.00 C ATOM 159 O ASN A 7 9.806 4.253 -12.642 1.00 0.00 O ATOM 160 CB ASN A 7 11.379 1.562 -13.701 1.00 0.00 C ATOM 161 CG ASN A 7 12.618 0.968 -13.060 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.109 1.461 -12.046 1.00 0.00 O ATOM 163 ND2 ASN A 7 13.152 -0.078 -13.663 1.00 0.00 N ATOM 0 H ASN A 7 9.424 0.115 -13.050 1.00 0.00 H new ATOM 0 HA ASN A 7 10.838 2.216 -11.743 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.950 0.839 -14.395 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.660 2.437 -14.286 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.000 -0.504 -13.289 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.717 -0.460 -14.503 1.00 0.00 H new ATOM 170 N CYS A 8 8.630 3.027 -14.057 1.00 0.00 N ATOM 171 CA CYS A 8 7.860 4.183 -14.506 1.00 0.00 C ATOM 172 C CYS A 8 7.244 4.901 -13.307 1.00 0.00 C ATOM 173 O CYS A 8 6.940 6.092 -13.365 1.00 0.00 O ATOM 174 CB CYS A 8 6.779 3.750 -15.499 1.00 0.00 C ATOM 175 SG CYS A 8 7.419 3.228 -17.108 1.00 0.00 S ATOM 0 H CYS A 8 8.385 2.142 -14.501 1.00 0.00 H new ATOM 0 HA CYS A 8 8.528 4.877 -15.015 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.209 2.930 -15.064 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.085 4.577 -15.647 1.00 0.00 H new ATOM 0 HG CYS A 8 6.640 3.672 -18.050 1.00 0.00 H new ATOM 181 N LEU A 9 7.113 4.170 -12.215 1.00 0.00 N ATOM 182 CA LEU A 9 6.584 4.700 -10.986 1.00 0.00 C ATOM 183 C LEU A 9 7.645 5.472 -10.195 1.00 0.00 C ATOM 184 O LEU A 9 7.499 6.667 -9.950 1.00 0.00 O ATOM 185 CB LEU A 9 6.048 3.539 -10.144 1.00 0.00 C ATOM 186 CG LEU A 9 5.948 3.799 -8.645 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.772 4.709 -8.329 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.841 2.489 -7.878 1.00 0.00 C ATOM 0 H LEU A 9 7.375 3.185 -12.163 1.00 0.00 H new ATOM 0 HA LEU A 9 5.784 5.401 -11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.058 3.273 -10.515 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.691 2.673 -10.302 1.00 0.00 H new ATOM 0 HG LEU A 9 6.859 4.306 -8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.722 4.879 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.902 5.662 -8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.848 4.239 -8.665 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.771 2.697 -6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.951 1.949 -8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.725 1.881 -8.072 1.00 0.00 H new ATOM 200 N LEU A 10 8.691 4.771 -9.768 1.00 0.00 N ATOM 201 CA LEU A 10 9.738 5.388 -8.945 1.00 0.00 C ATOM 202 C LEU A 10 10.828 6.114 -9.747 1.00 0.00 C ATOM 203 O LEU A 10 11.476 7.023 -9.229 1.00 0.00 O ATOM 204 CB LEU A 10 10.357 4.331 -8.037 1.00 0.00 C ATOM 205 CG LEU A 10 9.591 4.059 -6.748 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.166 2.844 -6.042 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.649 5.274 -5.838 1.00 0.00 C ATOM 0 H LEU A 10 8.840 3.783 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 10 9.251 6.164 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.441 3.399 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.370 4.642 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 10 8.549 3.857 -6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.610 2.660 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.088 1.974 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.214 3.025 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.098 5.068 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.688 5.498 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.203 6.130 -6.345 1.00 0.00 H new ATOM 219 N GLN A 11 11.020 5.729 -11.001 1.00 0.00 N ATOM 220 CA GLN A 11 12.020 6.357 -11.873 1.00 0.00 C ATOM 221 C GLN A 11 11.601 7.790 -12.159 1.00 0.00 C ATOM 222 O GLN A 11 12.434 8.683 -12.304 1.00 0.00 O ATOM 223 CB GLN A 11 12.142 5.580 -13.184 1.00 0.00 C ATOM 224 CG GLN A 11 13.287 5.999 -14.084 1.00 0.00 C ATOM 225 CD GLN A 11 13.215 5.296 -15.425 1.00 0.00 C ATOM 226 OE1 GLN A 11 14.138 5.367 -16.231 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.098 4.623 -15.676 1.00 0.00 N ATOM 0 H GLN A 11 10.494 4.978 -11.447 1.00 0.00 H new ATOM 0 HA GLN A 11 12.989 6.350 -11.374 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.255 4.521 -12.950 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.209 5.686 -13.738 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.259 7.078 -14.234 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.236 5.769 -13.600 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.355 4.589 -14.978 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.983 4.140 -16.567 1.00 0.00 H new ATOM 236 N HIS A 12 10.290 8.010 -12.188 1.00 0.00 N ATOM 237 CA HIS A 12 9.735 9.332 -12.397 1.00 0.00 C ATOM 238 C HIS A 12 9.710 10.072 -11.071 1.00 0.00 C ATOM 239 O HIS A 12 8.772 10.794 -10.767 1.00 0.00 O ATOM 240 CB HIS A 12 8.337 9.246 -13.008 1.00 0.00 C ATOM 241 CG HIS A 12 8.352 9.122 -14.500 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.879 10.092 -15.319 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.917 8.134 -15.321 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.765 9.717 -16.581 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.185 8.530 -16.607 1.00 0.00 N ATOM 0 H HIS A 12 9.590 7.278 -12.067 1.00 0.00 H new ATOM 0 HA HIS A 12 10.360 9.881 -13.101 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.814 8.389 -12.584 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.770 10.135 -12.729 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.448 7.209 -15.019 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.090 10.283 -17.442 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.971 7.994 -17.448 1.00 0.00 H new ATOM 254 N ARG A 13 10.781 9.863 -10.305 1.00 0.00 N ATOM 255 CA ARG A 13 10.998 10.470 -8.988 1.00 0.00 C ATOM 256 C ARG A 13 10.791 11.983 -9.047 1.00 0.00 C ATOM 257 O ARG A 13 10.417 12.610 -8.053 1.00 0.00 O ATOM 258 CB ARG A 13 12.419 10.150 -8.500 1.00 0.00 C ATOM 259 CG ARG A 13 12.742 10.683 -7.112 1.00 0.00 C ATOM 260 CD ARG A 13 12.096 9.851 -6.014 1.00 0.00 C ATOM 261 NE ARG A 13 12.577 8.467 -6.008 1.00 0.00 N ATOM 262 CZ ARG A 13 12.294 7.580 -5.061 1.00 0.00 C ATOM 263 NH1 ARG A 13 11.597 7.936 -3.990 1.00 0.00 N ATOM 264 NH2 ARG A 13 12.733 6.333 -5.178 1.00 0.00 N ATOM 0 H ARG A 13 11.544 9.249 -10.590 1.00 0.00 H new ATOM 0 HA ARG A 13 10.273 10.054 -8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.556 9.069 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.135 10.563 -9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.823 10.693 -6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.401 11.715 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.301 10.309 -5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.014 9.857 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 13 13.168 8.165 -6.782 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.274 8.898 -3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.384 7.248 -3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.284 6.061 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.519 5.647 -4.454 1.00 0.00 H new ATOM 278 N GLU A 14 11.009 12.542 -10.236 1.00 0.00 N ATOM 279 CA GLU A 14 10.821 13.967 -10.480 1.00 0.00 C ATOM 280 C GLU A 14 9.377 14.358 -10.162 1.00 0.00 C ATOM 281 O GLU A 14 9.089 15.496 -9.774 1.00 0.00 O ATOM 282 CB GLU A 14 11.143 14.294 -11.944 1.00 0.00 C ATOM 283 CG GLU A 14 11.093 15.775 -12.273 1.00 0.00 C ATOM 284 CD GLU A 14 11.137 16.035 -13.761 1.00 0.00 C ATOM 285 OE1 GLU A 14 12.095 15.585 -14.421 1.00 0.00 O ATOM 286 OE2 GLU A 14 10.210 16.685 -14.281 1.00 0.00 O ATOM 0 H GLU A 14 11.320 12.019 -11.055 1.00 0.00 H new ATOM 0 HA GLU A 14 11.494 14.533 -9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.137 13.914 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.439 13.766 -12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.182 16.206 -11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.932 16.280 -11.793 1.00 0.00 H new ATOM 293 N ALA A 15 8.472 13.396 -10.324 1.00 0.00 N ATOM 294 CA ALA A 15 7.063 13.617 -10.047 1.00 0.00 C ATOM 295 C ALA A 15 6.554 12.648 -8.974 1.00 0.00 C ATOM 296 O ALA A 15 5.479 12.858 -8.414 1.00 0.00 O ATOM 297 CB ALA A 15 6.256 13.484 -11.326 1.00 0.00 C ATOM 0 H ALA A 15 8.695 12.454 -10.647 1.00 0.00 H new ATOM 0 HA ALA A 15 6.940 14.629 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.201 13.651 -11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.599 14.222 -12.051 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.388 12.483 -11.737 1.00 0.00 H new ATOM 303 N LEU A 16 7.337 11.593 -8.703 1.00 0.00 N ATOM 304 CA LEU A 16 6.994 10.573 -7.697 1.00 0.00 C ATOM 305 C LEU A 16 6.526 11.215 -6.393 1.00 0.00 C ATOM 306 O LEU A 16 5.335 11.363 -6.168 1.00 0.00 O ATOM 307 CB LEU A 16 8.214 9.660 -7.449 1.00 0.00 C ATOM 308 CG LEU A 16 7.937 8.327 -6.735 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.895 8.506 -5.226 1.00 0.00 C ATOM 310 CD2 LEU A 16 6.635 7.717 -7.234 1.00 0.00 C ATOM 0 H LEU A 16 8.225 11.422 -9.174 1.00 0.00 H new ATOM 0 HA LEU A 16 6.169 9.972 -8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.679 9.442 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.944 10.217 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 16 8.756 7.647 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.697 7.545 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.853 8.892 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.104 9.209 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.454 6.774 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.812 8.403 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.705 7.536 -8.307 1.00 0.00 H new ATOM 322 N GLU A 17 7.468 11.579 -5.532 1.00 0.00 N ATOM 323 CA GLU A 17 7.152 12.190 -4.236 1.00 0.00 C ATOM 324 C GLU A 17 6.316 13.470 -4.375 1.00 0.00 C ATOM 325 O GLU A 17 5.582 13.848 -3.458 1.00 0.00 O ATOM 326 CB GLU A 17 8.452 12.489 -3.485 1.00 0.00 C ATOM 327 CG GLU A 17 8.258 13.233 -2.175 1.00 0.00 C ATOM 328 CD GLU A 17 9.554 13.437 -1.421 1.00 0.00 C ATOM 329 OE1 GLU A 17 10.571 12.828 -1.800 1.00 0.00 O ATOM 330 OE2 GLU A 17 9.556 14.199 -0.434 1.00 0.00 O ATOM 0 H GLU A 17 8.466 11.463 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 17 6.548 11.478 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.966 11.549 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.104 13.077 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.803 14.203 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.561 12.679 -1.547 1.00 0.00 H new ATOM 337 N LYS A 18 6.441 14.136 -5.514 1.00 0.00 N ATOM 338 CA LYS A 18 5.710 15.376 -5.762 1.00 0.00 C ATOM 339 C LYS A 18 4.201 15.142 -5.870 1.00 0.00 C ATOM 340 O LYS A 18 3.406 15.947 -5.379 1.00 0.00 O ATOM 341 CB LYS A 18 6.225 16.040 -7.042 1.00 0.00 C ATOM 342 CG LYS A 18 5.642 17.428 -7.292 1.00 0.00 C ATOM 343 CD LYS A 18 6.108 17.994 -8.623 1.00 0.00 C ATOM 344 CE LYS A 18 5.530 17.216 -9.796 1.00 0.00 C ATOM 345 NZ LYS A 18 4.066 17.436 -9.951 1.00 0.00 N ATOM 0 H LYS A 18 7.042 13.840 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 18 5.882 16.033 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.311 16.116 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.991 15.399 -7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.553 17.375 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.938 18.099 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.811 19.040 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.197 17.967 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.039 17.513 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.723 16.153 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.827 17.482 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.548 16.650 -9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.799 18.329 -9.491 1.00 0.00 H new ATOM 359 N ASP A 19 3.805 14.062 -6.534 1.00 0.00 N ATOM 360 CA ASP A 19 2.381 13.764 -6.722 1.00 0.00 C ATOM 361 C ASP A 19 1.910 12.580 -5.880 1.00 0.00 C ATOM 362 O ASP A 19 0.712 12.420 -5.649 1.00 0.00 O ATOM 363 CB ASP A 19 2.091 13.471 -8.196 1.00 0.00 C ATOM 364 CG ASP A 19 2.204 14.691 -9.091 1.00 0.00 C ATOM 365 OD1 ASP A 19 2.490 15.799 -8.589 1.00 0.00 O ATOM 366 OD2 ASP A 19 1.998 14.549 -10.313 1.00 0.00 O ATOM 0 H ASP A 19 4.440 13.381 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 19 1.834 14.648 -6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.783 12.706 -8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.087 13.057 -8.285 1.00 0.00 H new ATOM 371 N ILE A 20 2.833 11.733 -5.452 1.00 0.00 N ATOM 372 CA ILE A 20 2.475 10.559 -4.671 1.00 0.00 C ATOM 373 C ILE A 20 1.967 10.981 -3.280 1.00 0.00 C ATOM 374 O ILE A 20 2.688 11.559 -2.461 1.00 0.00 O ATOM 375 CB ILE A 20 3.668 9.550 -4.624 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.178 8.104 -4.510 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.659 9.850 -3.508 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.234 7.084 -4.911 1.00 0.00 C ATOM 0 H ILE A 20 3.832 11.836 -5.631 1.00 0.00 H new ATOM 0 HA ILE A 20 1.651 10.031 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 20 4.194 9.674 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.867 7.912 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.298 7.974 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.463 9.115 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.075 10.847 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.149 9.803 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.826 6.078 -4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.528 7.253 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.106 7.189 -4.265 1.00 0.00 H new ATOM 390 N LYS A 21 0.687 10.736 -3.047 1.00 0.00 N ATOM 391 CA LYS A 21 0.042 11.111 -1.793 1.00 0.00 C ATOM 392 C LYS A 21 -0.260 9.858 -0.980 1.00 0.00 C ATOM 393 O LYS A 21 -0.124 8.748 -1.486 1.00 0.00 O ATOM 394 CB LYS A 21 -1.238 11.917 -2.073 1.00 0.00 C ATOM 395 CG LYS A 21 -1.665 12.834 -0.931 1.00 0.00 C ATOM 396 CD LYS A 21 -2.804 13.757 -1.343 1.00 0.00 C ATOM 397 CE LYS A 21 -3.141 14.748 -0.241 1.00 0.00 C ATOM 398 NZ LYS A 21 -4.187 15.721 -0.653 1.00 0.00 N ATOM 0 H LYS A 21 0.068 10.275 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 21 0.713 11.745 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.086 12.519 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.050 11.223 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.976 12.231 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.813 13.431 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.527 14.297 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.686 13.164 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.481 14.205 0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.239 15.288 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.382 16.375 0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.854 16.260 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.058 15.210 -0.902 1.00 0.00 H new ATOM 412 N THR A 22 -0.631 10.027 0.284 1.00 0.00 N ATOM 413 CA THR A 22 -0.898 8.879 1.147 1.00 0.00 C ATOM 414 C THR A 22 -2.363 8.761 1.576 1.00 0.00 C ATOM 415 O THR A 22 -3.145 8.089 0.916 1.00 0.00 O ATOM 416 CB THR A 22 0.006 8.916 2.399 1.00 0.00 C ATOM 417 OG1 THR A 22 -0.020 10.218 2.996 1.00 0.00 O ATOM 418 CG2 THR A 22 1.425 8.571 2.022 1.00 0.00 C ATOM 0 H THR A 22 -0.753 10.936 0.731 1.00 0.00 H new ATOM 0 HA THR A 22 -0.671 7.998 0.546 1.00 0.00 H new ATOM 0 HB THR A 22 -0.370 8.186 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.556 10.226 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.055 8.600 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.454 7.571 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.793 9.293 1.293 1.00 0.00 H new ATOM 426 N SER A 23 -2.681 9.404 2.702 1.00 0.00 N ATOM 427 CA SER A 23 -4.010 9.414 3.338 1.00 0.00 C ATOM 428 C SER A 23 -5.153 8.787 2.515 1.00 0.00 C ATOM 429 O SER A 23 -5.579 7.668 2.800 1.00 0.00 O ATOM 430 CB SER A 23 -4.365 10.851 3.728 1.00 0.00 C ATOM 431 OG SER A 23 -3.369 11.408 4.581 1.00 0.00 O ATOM 0 H SER A 23 -1.996 9.955 3.220 1.00 0.00 H new ATOM 0 HA SER A 23 -3.922 8.768 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.464 11.462 2.831 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.331 10.867 4.232 1.00 0.00 H new ATOM 0 HG SER A 23 -3.616 12.327 4.816 1.00 0.00 H new ATOM 437 N TYR A 24 -5.669 9.514 1.528 1.00 0.00 N ATOM 438 CA TYR A 24 -6.790 9.028 0.718 1.00 0.00 C ATOM 439 C TYR A 24 -6.401 7.928 -0.269 1.00 0.00 C ATOM 440 O TYR A 24 -7.120 6.938 -0.401 1.00 0.00 O ATOM 441 CB TYR A 24 -7.438 10.181 -0.034 1.00 0.00 C ATOM 442 CG TYR A 24 -8.367 11.023 0.817 1.00 0.00 C ATOM 443 CD1 TYR A 24 -7.946 11.561 2.027 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.672 11.267 0.413 1.00 0.00 C ATOM 445 CE1 TYR A 24 -8.799 12.309 2.809 1.00 0.00 C ATOM 446 CE2 TYR A 24 -10.531 12.020 1.187 1.00 0.00 C ATOM 447 CZ TYR A 24 -10.089 12.539 2.383 1.00 0.00 C ATOM 448 OH TYR A 24 -10.945 13.270 3.170 1.00 0.00 O ATOM 0 H TYR A 24 -5.332 10.441 1.267 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.498 8.587 1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.656 10.821 -0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.998 9.782 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.933 11.390 2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.022 10.860 -0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.458 12.713 3.751 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.543 12.201 0.857 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.816 13.342 2.726 1.00 0.00 H new ATOM 458 N ILE A 25 -5.279 8.093 -0.962 1.00 0.00 N ATOM 459 CA ILE A 25 -4.819 7.093 -1.926 1.00 0.00 C ATOM 460 C ILE A 25 -4.661 5.738 -1.239 1.00 0.00 C ATOM 461 O ILE A 25 -5.094 4.707 -1.749 1.00 0.00 O ATOM 462 CB ILE A 25 -3.488 7.530 -2.575 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.737 8.722 -3.504 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.840 6.377 -3.323 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.493 9.236 -4.183 1.00 0.00 C ATOM 0 H ILE A 25 -4.671 8.907 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.565 7.002 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.796 7.835 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.461 8.432 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.186 9.531 -2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.904 6.713 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.638 5.561 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.512 6.029 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.750 10.079 -4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.774 9.558 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.054 8.442 -4.787 1.00 0.00 H new ATOM 477 N MET A 26 -4.081 5.775 -0.057 1.00 0.00 N ATOM 478 CA MET A 26 -3.892 4.583 0.746 1.00 0.00 C ATOM 479 C MET A 26 -5.228 4.103 1.298 1.00 0.00 C ATOM 480 O MET A 26 -5.431 2.909 1.455 1.00 0.00 O ATOM 481 CB MET A 26 -2.910 4.873 1.892 1.00 0.00 C ATOM 482 CG MET A 26 -2.734 3.722 2.871 1.00 0.00 C ATOM 483 SD MET A 26 -3.764 3.901 4.341 1.00 0.00 S ATOM 484 CE MET A 26 -3.074 5.387 5.060 1.00 0.00 C ATOM 0 H MET A 26 -3.728 6.629 0.374 1.00 0.00 H new ATOM 0 HA MET A 26 -3.475 3.795 0.119 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.938 5.125 1.467 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.256 5.750 2.439 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.979 2.784 2.372 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.688 3.660 3.170 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.791 5.193 6.094 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.194 5.690 4.493 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.817 6.184 5.031 1.00 0.00 H new ATOM 494 N ASP A 27 -6.155 5.028 1.560 1.00 0.00 N ATOM 495 CA ASP A 27 -7.473 4.647 2.080 1.00 0.00 C ATOM 496 C ASP A 27 -8.211 3.835 1.032 1.00 0.00 C ATOM 497 O ASP A 27 -8.907 2.863 1.339 1.00 0.00 O ATOM 498 CB ASP A 27 -8.276 5.893 2.452 1.00 0.00 C ATOM 499 CG ASP A 27 -9.665 5.578 2.975 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.779 4.852 3.982 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.648 6.081 2.394 1.00 0.00 O ATOM 0 H ASP A 27 -6.023 6.030 1.424 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.346 4.042 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.730 6.456 3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.362 6.536 1.576 1.00 0.00 H new ATOM 506 N HIS A 28 -8.016 4.226 -0.215 1.00 0.00 N ATOM 507 CA HIS A 28 -8.622 3.541 -1.340 1.00 0.00 C ATOM 508 C HIS A 28 -8.000 2.161 -1.526 1.00 0.00 C ATOM 509 O HIS A 28 -8.647 1.251 -2.021 1.00 0.00 O ATOM 510 CB HIS A 28 -8.447 4.359 -2.618 1.00 0.00 C ATOM 511 CG HIS A 28 -9.361 5.538 -2.705 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.723 5.422 -2.863 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.099 6.863 -2.682 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.259 6.626 -2.940 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.292 7.517 -2.831 1.00 0.00 N ATOM 0 H HIS A 28 -7.436 5.024 -0.474 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.686 3.424 -1.133 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.415 4.705 -2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.618 3.713 -3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.128 7.321 -2.567 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.309 6.844 -3.070 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.414 8.529 -2.854 1.00 0.00 H new ATOM 524 N MET A 29 -6.740 2.018 -1.122 1.00 0.00 N ATOM 525 CA MET A 29 -6.035 0.745 -1.246 1.00 0.00 C ATOM 526 C MET A 29 -6.450 -0.240 -0.150 1.00 0.00 C ATOM 527 O MET A 29 -6.530 -1.449 -0.384 1.00 0.00 O ATOM 528 CB MET A 29 -4.527 0.970 -1.207 1.00 0.00 C ATOM 529 CG MET A 29 -3.959 1.554 -2.488 1.00 0.00 C ATOM 530 SD MET A 29 -2.205 1.195 -2.690 1.00 0.00 S ATOM 531 CE MET A 29 -2.266 -0.548 -3.111 1.00 0.00 C ATOM 0 H MET A 29 -6.187 2.767 -0.706 1.00 0.00 H new ATOM 0 HA MET A 29 -6.308 0.308 -2.207 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.290 1.638 -0.379 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.033 0.020 -1.002 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.509 1.155 -3.341 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.108 2.634 -2.489 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.317 -0.848 -3.556 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.446 -1.134 -2.210 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.072 -0.722 -3.824 1.00 0.00 H new ATOM 541 N ILE A 30 -6.735 0.281 1.039 1.00 0.00 N ATOM 542 CA ILE A 30 -7.168 -0.556 2.156 1.00 0.00 C ATOM 543 C ILE A 30 -8.598 -0.996 1.898 1.00 0.00 C ATOM 544 O ILE A 30 -8.937 -2.168 2.041 1.00 0.00 O ATOM 545 CB ILE A 30 -7.154 0.190 3.504 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.944 1.116 3.641 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.162 -0.801 4.657 1.00 0.00 C ATOM 548 CD1 ILE A 30 -4.623 0.390 3.780 1.00 0.00 C ATOM 0 H ILE A 30 -6.675 1.276 1.255 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.473 -1.393 2.221 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.054 0.805 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.898 1.768 2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.087 1.757 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.152 -0.259 5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.060 -1.417 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.280 -1.439 4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.816 1.117 3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.646 -0.241 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.454 -0.230 2.899 1.00 0.00 H new ATOM 560 N SER A 31 -9.425 -0.031 1.487 1.00 0.00 N ATOM 561 CA SER A 31 -10.825 -0.291 1.169 1.00 0.00 C ATOM 562 C SER A 31 -10.904 -1.186 -0.060 1.00 0.00 C ATOM 563 O SER A 31 -11.875 -1.918 -0.253 1.00 0.00 O ATOM 564 CB SER A 31 -11.569 1.031 0.925 1.00 0.00 C ATOM 565 OG SER A 31 -12.976 0.842 0.880 1.00 0.00 O ATOM 0 H SER A 31 -9.143 0.942 1.367 1.00 0.00 H new ATOM 0 HA SER A 31 -11.301 -0.797 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.322 1.739 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.231 1.471 -0.013 1.00 0.00 H new ATOM 0 HG SER A 31 -13.417 1.703 0.725 1.00 0.00 H new ATOM 571 N ASP A 32 -9.850 -1.144 -0.871 1.00 0.00 N ATOM 572 CA ASP A 32 -9.770 -1.969 -2.061 1.00 0.00 C ATOM 573 C ASP A 32 -9.575 -3.414 -1.631 1.00 0.00 C ATOM 574 O ASP A 32 -10.005 -4.347 -2.309 1.00 0.00 O ATOM 575 CB ASP A 32 -8.604 -1.518 -2.941 1.00 0.00 C ATOM 576 CG ASP A 32 -8.913 -1.573 -4.425 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.021 -2.006 -4.799 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.043 -1.172 -5.227 1.00 0.00 O ATOM 0 H ASP A 32 -9.040 -0.543 -0.720 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.688 -1.874 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.329 -0.498 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.738 -2.147 -2.734 1.00 0.00 H new ATOM 583 N GLY A 33 -8.940 -3.587 -0.470 1.00 0.00 N ATOM 584 CA GLY A 33 -8.724 -4.919 0.055 1.00 0.00 C ATOM 585 C GLY A 33 -7.345 -5.458 -0.250 1.00 0.00 C ATOM 586 O GLY A 33 -7.004 -6.571 0.157 1.00 0.00 O ATOM 0 H GLY A 33 -8.575 -2.831 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.872 -4.906 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.472 -5.593 -0.362 1.00 0.00 H new ATOM 590 N PHE A 34 -6.545 -4.678 -0.960 1.00 0.00 N ATOM 591 CA PHE A 34 -5.202 -5.110 -1.300 1.00 0.00 C ATOM 592 C PHE A 34 -4.263 -4.880 -0.125 1.00 0.00 C ATOM 593 O PHE A 34 -3.389 -5.700 0.163 1.00 0.00 O ATOM 594 CB PHE A 34 -4.691 -4.398 -2.551 1.00 0.00 C ATOM 595 CG PHE A 34 -5.381 -4.849 -3.809 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.710 -4.545 -4.036 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.692 -5.582 -4.767 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.342 -4.957 -5.194 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.320 -6.001 -5.925 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.649 -5.688 -6.138 1.00 0.00 C ATOM 0 H PHE A 34 -6.800 -3.754 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.233 -6.177 -1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.830 -3.323 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.619 -4.572 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.261 -3.979 -3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.653 -5.828 -4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.379 -4.707 -5.361 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.773 -6.571 -6.661 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.144 -6.014 -7.041 1.00 0.00 H new ATOM 610 N LEU A 35 -4.472 -3.784 0.583 1.00 0.00 N ATOM 611 CA LEU A 35 -3.662 -3.494 1.748 1.00 0.00 C ATOM 612 C LEU A 35 -4.420 -3.923 2.991 1.00 0.00 C ATOM 613 O LEU A 35 -5.619 -3.668 3.110 1.00 0.00 O ATOM 614 CB LEU A 35 -3.315 -2.012 1.833 1.00 0.00 C ATOM 615 CG LEU A 35 -2.550 -1.440 0.646 1.00 0.00 C ATOM 616 CD1 LEU A 35 -2.225 0.016 0.904 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.276 -2.226 0.380 1.00 0.00 C ATOM 0 H LEU A 35 -5.188 -3.088 0.373 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.725 -4.046 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.240 -1.448 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.725 -1.848 2.735 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.180 -1.519 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.678 0.423 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.150 0.576 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.613 0.099 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.753 -1.793 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.633 -2.185 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.528 -3.264 0.163 1.00 0.00 H new ATOM 629 N THR A 36 -3.740 -4.590 3.902 1.00 0.00 N ATOM 630 CA THR A 36 -4.385 -5.058 5.115 1.00 0.00 C ATOM 631 C THR A 36 -4.195 -4.055 6.245 1.00 0.00 C ATOM 632 O THR A 36 -3.657 -2.962 6.039 1.00 0.00 O ATOM 633 CB THR A 36 -3.825 -6.426 5.557 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.463 -6.282 5.986 1.00 0.00 O ATOM 635 CG2 THR A 36 -3.896 -7.436 4.417 1.00 0.00 C ATOM 0 H THR A 36 -2.749 -4.819 3.828 1.00 0.00 H new ATOM 0 HA THR A 36 -5.447 -5.166 4.895 1.00 0.00 H new ATOM 0 HB THR A 36 -4.432 -6.792 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.880 -6.203 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.496 -8.393 4.753 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.934 -7.565 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.310 -7.074 3.573 1.00 0.00 H new ATOM 643 N ILE A 37 -4.603 -4.440 7.444 1.00 0.00 N ATOM 644 CA ILE A 37 -4.449 -3.595 8.614 1.00 0.00 C ATOM 645 C ILE A 37 -2.961 -3.438 8.919 1.00 0.00 C ATOM 646 O ILE A 37 -2.527 -2.436 9.477 1.00 0.00 O ATOM 647 CB ILE A 37 -5.194 -4.179 9.848 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.706 -4.248 9.600 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.916 -3.353 11.095 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.150 -5.410 8.734 1.00 0.00 C ATOM 0 H ILE A 37 -5.046 -5.339 7.631 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.892 -2.622 8.401 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.819 -5.190 10.005 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.216 -4.312 10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.027 -3.318 9.130 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.449 -3.783 11.943 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.846 -3.354 11.301 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.254 -2.329 10.936 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.233 -5.380 8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.672 -5.339 7.757 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.865 -6.348 9.210 1.00 0.00 H new ATOM 662 N SER A 38 -2.179 -4.427 8.507 1.00 0.00 N ATOM 663 CA SER A 38 -0.743 -4.394 8.701 1.00 0.00 C ATOM 664 C SER A 38 -0.105 -3.350 7.788 1.00 0.00 C ATOM 665 O SER A 38 0.792 -2.618 8.207 1.00 0.00 O ATOM 666 CB SER A 38 -0.151 -5.776 8.433 1.00 0.00 C ATOM 667 OG SER A 38 -0.809 -6.771 9.205 1.00 0.00 O ATOM 0 H SER A 38 -2.521 -5.264 8.035 1.00 0.00 H new ATOM 0 HA SER A 38 -0.532 -4.116 9.734 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.241 -6.015 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.913 -5.772 8.670 1.00 0.00 H new ATOM 0 HG SER A 38 -0.414 -7.647 9.015 1.00 0.00 H new ATOM 673 N GLU A 39 -0.591 -3.256 6.553 1.00 0.00 N ATOM 674 CA GLU A 39 -0.073 -2.268 5.613 1.00 0.00 C ATOM 675 C GLU A 39 -0.501 -0.877 6.048 1.00 0.00 C ATOM 676 O GLU A 39 0.303 0.056 6.064 1.00 0.00 O ATOM 677 CB GLU A 39 -0.558 -2.532 4.185 1.00 0.00 C ATOM 678 CG GLU A 39 0.344 -3.468 3.393 1.00 0.00 C ATOM 679 CD GLU A 39 0.121 -4.927 3.715 1.00 0.00 C ATOM 680 OE1 GLU A 39 -0.970 -5.276 4.202 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.026 -5.741 3.448 1.00 0.00 O ATOM 0 H GLU A 39 -1.336 -3.846 6.183 1.00 0.00 H new ATOM 0 HA GLU A 39 1.014 -2.343 5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.561 -2.957 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.634 -1.582 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.176 -3.308 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.385 -3.214 3.593 1.00 0.00 H new ATOM 688 N GLU A 40 -1.772 -0.757 6.417 1.00 0.00 N ATOM 689 CA GLU A 40 -2.320 0.515 6.866 1.00 0.00 C ATOM 690 C GLU A 40 -1.577 1.010 8.098 1.00 0.00 C ATOM 691 O GLU A 40 -1.159 2.161 8.150 1.00 0.00 O ATOM 692 CB GLU A 40 -3.815 0.380 7.180 1.00 0.00 C ATOM 693 CG GLU A 40 -4.481 1.706 7.514 1.00 0.00 C ATOM 694 CD GLU A 40 -5.947 1.573 7.875 1.00 0.00 C ATOM 695 OE1 GLU A 40 -6.273 0.817 8.812 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.776 2.253 7.238 1.00 0.00 O ATOM 0 H GLU A 40 -2.441 -1.527 6.413 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.195 1.240 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.320 -0.067 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.943 -0.304 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.951 2.170 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.385 2.377 6.660 1.00 0.00 H new ATOM 703 N GLU A 41 -1.421 0.127 9.080 1.00 0.00 N ATOM 704 CA GLU A 41 -0.739 0.466 10.322 1.00 0.00 C ATOM 705 C GLU A 41 0.628 1.086 10.069 1.00 0.00 C ATOM 706 O GLU A 41 0.944 2.125 10.630 1.00 0.00 O ATOM 707 CB GLU A 41 -0.596 -0.777 11.212 1.00 0.00 C ATOM 708 CG GLU A 41 0.124 -0.524 12.532 1.00 0.00 C ATOM 709 CD GLU A 41 -0.584 0.483 13.425 1.00 0.00 C ATOM 710 OE1 GLU A 41 -1.636 1.014 13.023 1.00 0.00 O ATOM 711 OE2 GLU A 41 -0.082 0.744 14.539 1.00 0.00 O ATOM 0 H GLU A 41 -1.760 -0.834 9.037 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.350 1.208 10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.589 -1.174 11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.056 -1.546 10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.224 -1.467 13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.133 -0.167 12.324 1.00 0.00 H new ATOM 718 N LYS A 42 1.440 0.441 9.236 1.00 0.00 N ATOM 719 CA LYS A 42 2.785 0.940 8.942 1.00 0.00 C ATOM 720 C LYS A 42 2.765 2.354 8.352 1.00 0.00 C ATOM 721 O LYS A 42 3.366 3.275 8.916 1.00 0.00 O ATOM 722 CB LYS A 42 3.521 -0.022 8.003 1.00 0.00 C ATOM 723 CG LYS A 42 3.684 -1.422 8.583 1.00 0.00 C ATOM 724 CD LYS A 42 4.502 -2.322 7.672 1.00 0.00 C ATOM 725 CE LYS A 42 4.637 -3.723 8.241 1.00 0.00 C ATOM 726 NZ LYS A 42 3.333 -4.436 8.292 1.00 0.00 N ATOM 0 H LYS A 42 1.194 -0.424 8.754 1.00 0.00 H new ATOM 0 HA LYS A 42 3.321 0.994 9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.976 -0.087 7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.505 0.386 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.167 -1.357 9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.701 -1.865 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.030 -2.372 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.493 -1.891 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.338 -4.294 7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.058 -3.667 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.147 -4.750 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.574 -3.795 7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.364 -5.262 7.661 1.00 0.00 H new ATOM 740 N VAL A 43 2.063 2.526 7.232 1.00 0.00 N ATOM 741 CA VAL A 43 1.954 3.837 6.579 1.00 0.00 C ATOM 742 C VAL A 43 1.457 4.894 7.574 1.00 0.00 C ATOM 743 O VAL A 43 1.918 6.038 7.560 1.00 0.00 O ATOM 744 CB VAL A 43 0.984 3.783 5.377 1.00 0.00 C ATOM 745 CG1 VAL A 43 0.884 5.139 4.685 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.426 2.716 4.391 1.00 0.00 C ATOM 0 H VAL A 43 1.561 1.777 6.756 1.00 0.00 H new ATOM 0 HA VAL A 43 2.948 4.107 6.222 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.006 3.526 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.194 5.068 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.518 5.883 5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.868 5.436 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.734 2.689 3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.428 2.947 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.434 1.745 4.885 1.00 0.00 H new ATOM 756 N ARG A 44 0.512 4.503 8.435 1.00 0.00 N ATOM 757 CA ARG A 44 -0.040 5.425 9.427 1.00 0.00 C ATOM 758 C ARG A 44 0.920 5.648 10.605 1.00 0.00 C ATOM 759 O ARG A 44 0.923 6.727 11.201 1.00 0.00 O ATOM 760 CB ARG A 44 -1.377 4.919 9.973 1.00 0.00 C ATOM 761 CG ARG A 44 -2.455 4.723 8.925 1.00 0.00 C ATOM 762 CD ARG A 44 -3.777 4.365 9.579 1.00 0.00 C ATOM 763 NE ARG A 44 -4.563 5.533 9.903 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.496 6.027 9.099 1.00 0.00 C ATOM 765 NH1 ARG A 44 -5.851 5.397 7.998 1.00 0.00 N ATOM 766 NH2 ARG A 44 -6.093 7.136 9.400 1.00 0.00 N ATOM 0 H ARG A 44 0.118 3.563 8.464 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.190 6.373 8.910 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.210 3.971 10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.740 5.625 10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.569 5.634 8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.159 3.933 8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.347 3.720 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.587 3.794 10.488 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.392 6.001 10.793 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.407 4.513 7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.570 5.793 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.846 7.632 10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.810 7.514 8.780 1.00 0.00 H new ATOM 780 N ASN A 45 1.716 4.629 10.941 1.00 0.00 N ATOM 781 CA ASN A 45 2.669 4.717 12.045 1.00 0.00 C ATOM 782 C ASN A 45 3.601 5.899 11.857 1.00 0.00 C ATOM 783 O ASN A 45 3.878 6.645 12.797 1.00 0.00 O ATOM 784 CB ASN A 45 3.492 3.433 12.149 1.00 0.00 C ATOM 785 CG ASN A 45 2.816 2.334 12.953 1.00 0.00 C ATOM 786 OD1 ASN A 45 3.239 1.179 12.919 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.790 2.687 13.710 1.00 0.00 N ATOM 0 H ASN A 45 1.717 3.730 10.460 1.00 0.00 H new ATOM 0 HA ASN A 45 2.101 4.854 12.965 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.697 3.062 11.145 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.454 3.665 12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.322 1.992 14.291 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.467 3.655 13.712 1.00 0.00 H new ATOM 794 N GLU A 46 4.078 6.066 10.633 1.00 0.00 N ATOM 795 CA GLU A 46 4.978 7.160 10.314 1.00 0.00 C ATOM 796 C GLU A 46 4.291 8.511 10.543 1.00 0.00 C ATOM 797 O GLU A 46 3.103 8.681 10.259 1.00 0.00 O ATOM 798 CB GLU A 46 5.480 7.014 8.884 1.00 0.00 C ATOM 799 CG GLU A 46 6.668 6.065 8.740 1.00 0.00 C ATOM 800 CD GLU A 46 6.415 4.664 9.266 1.00 0.00 C ATOM 801 OE1 GLU A 46 6.399 4.478 10.503 1.00 0.00 O ATOM 802 OE2 GLU A 46 6.245 3.741 8.449 1.00 0.00 O ATOM 0 H GLU A 46 3.856 5.457 9.845 1.00 0.00 H new ATOM 0 HA GLU A 46 5.840 7.123 10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.663 6.656 8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.764 7.996 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.942 6.001 7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.523 6.489 9.266 1.00 0.00 H new ATOM 809 N PRO A 47 5.019 9.476 11.123 1.00 0.00 N ATOM 810 CA PRO A 47 4.474 10.797 11.467 1.00 0.00 C ATOM 811 C PRO A 47 4.293 11.761 10.296 1.00 0.00 C ATOM 812 O PRO A 47 3.316 12.512 10.256 1.00 0.00 O ATOM 813 CB PRO A 47 5.509 11.365 12.458 1.00 0.00 C ATOM 814 CG PRO A 47 6.438 10.236 12.766 1.00 0.00 C ATOM 815 CD PRO A 47 6.412 9.348 11.561 1.00 0.00 C ATOM 0 HA PRO A 47 3.463 10.687 11.859 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.047 12.207 12.022 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.024 11.731 13.363 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.446 10.601 12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.116 9.696 13.657 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.113 9.678 10.795 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.670 8.318 11.807 1.00 0.00 H new ATOM 823 N THR A 48 5.220 11.779 9.354 1.00 0.00 N ATOM 824 CA THR A 48 5.108 12.710 8.248 1.00 0.00 C ATOM 825 C THR A 48 5.209 12.000 6.918 1.00 0.00 C ATOM 826 O THR A 48 5.551 10.822 6.867 1.00 0.00 O ATOM 827 CB THR A 48 6.215 13.785 8.330 1.00 0.00 C ATOM 828 OG1 THR A 48 7.498 13.150 8.471 1.00 0.00 O ATOM 829 CG2 THR A 48 5.980 14.730 9.506 1.00 0.00 C ATOM 0 H THR A 48 6.041 11.174 9.332 1.00 0.00 H new ATOM 0 HA THR A 48 4.129 13.184 8.321 1.00 0.00 H new ATOM 0 HB THR A 48 6.191 14.370 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.198 13.834 8.521 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.775 15.475 9.538 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.019 15.229 9.385 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.979 14.161 10.436 1.00 0.00 H new ATOM 837 N GLN A 49 4.932 12.739 5.847 1.00 0.00 N ATOM 838 CA GLN A 49 5.003 12.219 4.484 1.00 0.00 C ATOM 839 C GLN A 49 6.354 11.556 4.225 1.00 0.00 C ATOM 840 O GLN A 49 6.477 10.722 3.340 1.00 0.00 O ATOM 841 CB GLN A 49 4.795 13.366 3.487 1.00 0.00 C ATOM 842 CG GLN A 49 4.953 12.954 2.032 1.00 0.00 C ATOM 843 CD GLN A 49 5.437 14.094 1.166 1.00 0.00 C ATOM 844 OE1 GLN A 49 4.707 15.044 0.888 1.00 0.00 O ATOM 845 NE2 GLN A 49 6.694 14.024 0.769 1.00 0.00 N ATOM 0 H GLN A 49 4.651 13.718 5.900 1.00 0.00 H new ATOM 0 HA GLN A 49 4.220 11.471 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.798 13.782 3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.507 14.161 3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.657 12.125 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.997 12.592 1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.265 13.217 1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.095 14.777 0.209 1.00 0.00 H new ATOM 854 N GLN A 50 7.343 11.935 5.030 1.00 0.00 N ATOM 855 CA GLN A 50 8.694 11.402 4.951 1.00 0.00 C ATOM 856 C GLN A 50 8.680 9.892 4.765 1.00 0.00 C ATOM 857 O GLN A 50 8.762 9.381 3.644 1.00 0.00 O ATOM 858 CB GLN A 50 9.439 11.748 6.242 1.00 0.00 C ATOM 859 CG GLN A 50 10.912 11.364 6.246 1.00 0.00 C ATOM 860 CD GLN A 50 11.470 11.189 7.650 1.00 0.00 C ATOM 861 OE1 GLN A 50 12.674 11.014 7.834 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.595 11.212 8.648 1.00 0.00 N ATOM 0 H GLN A 50 7.223 12.632 5.765 1.00 0.00 H new ATOM 0 HA GLN A 50 9.195 11.846 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.356 12.821 6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.945 11.250 7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.043 10.436 5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.485 12.131 5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.604 11.360 8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.913 11.082 9.608 1.00 0.00 H new ATOM 871 N GLN A 51 8.560 9.180 5.867 1.00 0.00 N ATOM 872 CA GLN A 51 8.526 7.741 5.817 1.00 0.00 C ATOM 873 C GLN A 51 7.096 7.250 5.651 1.00 0.00 C ATOM 874 O GLN A 51 6.881 6.085 5.358 1.00 0.00 O ATOM 875 CB GLN A 51 9.175 7.142 7.062 1.00 0.00 C ATOM 876 CG GLN A 51 10.679 7.370 7.143 1.00 0.00 C ATOM 877 CD GLN A 51 11.454 6.661 6.046 1.00 0.00 C ATOM 878 OE1 GLN A 51 11.353 7.004 4.864 1.00 0.00 O ATOM 879 NE2 GLN A 51 12.236 5.663 6.431 1.00 0.00 N ATOM 0 H GLN A 51 8.485 9.577 6.803 1.00 0.00 H new ATOM 0 HA GLN A 51 9.100 7.410 4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.704 7.570 7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.978 6.070 7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.881 8.440 7.088 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.040 7.027 8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.292 5.410 7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.782 5.147 5.741 1.00 0.00 H new ATOM 888 N ARG A 52 6.110 8.145 5.809 1.00 0.00 N ATOM 889 CA ARG A 52 4.708 7.737 5.633 1.00 0.00 C ATOM 890 C ARG A 52 4.436 7.484 4.159 1.00 0.00 C ATOM 891 O ARG A 52 3.986 6.403 3.777 1.00 0.00 O ATOM 892 CB ARG A 52 3.721 8.766 6.211 1.00 0.00 C ATOM 893 CG ARG A 52 2.327 8.693 5.593 1.00 0.00 C ATOM 894 CD ARG A 52 1.228 9.190 6.527 1.00 0.00 C ATOM 895 NE ARG A 52 1.563 10.453 7.181 1.00 0.00 N ATOM 896 CZ ARG A 52 0.644 11.301 7.639 1.00 0.00 C ATOM 897 NH1 ARG A 52 -0.622 11.149 7.303 1.00 0.00 N ATOM 898 NH2 ARG A 52 0.980 12.323 8.400 1.00 0.00 N ATOM 0 H ARG A 52 6.249 9.126 6.051 1.00 0.00 H new ATOM 0 HA ARG A 52 4.551 6.815 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.640 8.614 7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.124 9.767 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.311 9.284 4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.116 7.662 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.305 9.314 5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.035 8.433 7.287 1.00 0.00 H new ATOM 0 HE ARG A 52 2.547 10.697 7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.899 10.381 6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.325 11.799 7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.958 12.475 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.262 12.962 8.742 1.00 0.00 H new ATOM 912 N ALA A 53 4.752 8.464 3.322 1.00 0.00 N ATOM 913 CA ALA A 53 4.582 8.301 1.889 1.00 0.00 C ATOM 914 C ALA A 53 5.562 7.270 1.395 1.00 0.00 C ATOM 915 O ALA A 53 5.190 6.378 0.643 1.00 0.00 O ATOM 916 CB ALA A 53 4.761 9.618 1.147 1.00 0.00 C ATOM 0 H ALA A 53 5.123 9.370 3.609 1.00 0.00 H new ATOM 0 HA ALA A 53 3.564 7.964 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.626 9.454 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.022 10.338 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.763 10.006 1.331 1.00 0.00 H new ATOM 922 N ALA A 54 6.813 7.367 1.852 1.00 0.00 N ATOM 923 CA ALA A 54 7.832 6.404 1.462 1.00 0.00 C ATOM 924 C ALA A 54 7.405 4.991 1.823 1.00 0.00 C ATOM 925 O ALA A 54 7.748 4.051 1.117 1.00 0.00 O ATOM 926 CB ALA A 54 9.168 6.735 2.102 1.00 0.00 C ATOM 0 H ALA A 54 7.137 8.097 2.486 1.00 0.00 H new ATOM 0 HA ALA A 54 7.950 6.462 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.911 6.000 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.487 7.728 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.066 6.715 3.187 1.00 0.00 H new ATOM 932 N MET A 55 6.635 4.838 2.905 1.00 0.00 N ATOM 933 CA MET A 55 6.160 3.530 3.307 1.00 0.00 C ATOM 934 C MET A 55 5.149 3.015 2.289 1.00 0.00 C ATOM 935 O MET A 55 5.162 1.842 1.927 1.00 0.00 O ATOM 936 CB MET A 55 5.532 3.592 4.702 1.00 0.00 C ATOM 937 CG MET A 55 4.981 2.249 5.153 1.00 0.00 C ATOM 938 SD MET A 55 6.177 0.909 4.934 1.00 0.00 S ATOM 939 CE MET A 55 5.086 -0.504 4.820 1.00 0.00 C ATOM 0 H MET A 55 6.334 5.604 3.508 1.00 0.00 H new ATOM 0 HA MET A 55 7.005 2.843 3.346 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.279 3.933 5.418 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.729 4.329 4.703 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.695 2.310 6.203 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.076 2.022 4.589 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.435 -1.289 5.491 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.076 -0.208 5.103 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.081 -0.878 3.796 1.00 0.00 H new ATOM 949 N LEU A 56 4.301 3.915 1.807 1.00 0.00 N ATOM 950 CA LEU A 56 3.302 3.585 0.798 1.00 0.00 C ATOM 951 C LEU A 56 4.009 3.121 -0.476 1.00 0.00 C ATOM 952 O LEU A 56 3.756 2.023 -0.992 1.00 0.00 O ATOM 953 CB LEU A 56 2.456 4.825 0.509 1.00 0.00 C ATOM 954 CG LEU A 56 1.092 4.551 -0.111 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.175 3.895 0.906 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.475 5.839 -0.626 1.00 0.00 C ATOM 0 H LEU A 56 4.286 4.891 2.103 1.00 0.00 H new ATOM 0 HA LEU A 56 2.655 2.785 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.310 5.371 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.016 5.479 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 56 1.223 3.871 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.797 3.704 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.612 2.953 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.050 4.556 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.499 5.625 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.354 6.540 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.126 6.277 -1.382 1.00 0.00 H new ATOM 968 N ILE A 57 4.928 3.961 -0.947 1.00 0.00 N ATOM 969 CA ILE A 57 5.730 3.669 -2.145 1.00 0.00 C ATOM 970 C ILE A 57 6.585 2.405 -1.914 1.00 0.00 C ATOM 971 O ILE A 57 6.917 1.692 -2.859 1.00 0.00 O ATOM 972 CB ILE A 57 6.652 4.876 -2.507 1.00 0.00 C ATOM 973 CG1 ILE A 57 6.019 6.182 -2.050 1.00 0.00 C ATOM 974 CG2 ILE A 57 6.901 4.964 -4.011 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.970 7.359 -2.079 1.00 0.00 C ATOM 0 H ILE A 57 5.141 4.860 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 57 5.048 3.495 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 57 7.602 4.715 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.162 6.403 -2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.640 6.057 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.547 5.816 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.383 4.049 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.951 5.090 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.450 8.255 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.816 7.160 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.330 7.511 -3.097 1.00 0.00 H new ATOM 987 N LYS A 58 6.914 2.135 -0.648 1.00 0.00 N ATOM 988 CA LYS A 58 7.708 0.964 -0.265 1.00 0.00 C ATOM 989 C LYS A 58 6.866 -0.315 -0.315 1.00 0.00 C ATOM 990 O LYS A 58 7.351 -1.356 -0.752 1.00 0.00 O ATOM 991 CB LYS A 58 8.291 1.169 1.137 1.00 0.00 C ATOM 992 CG LYS A 58 8.988 -0.051 1.719 1.00 0.00 C ATOM 993 CD LYS A 58 9.704 0.287 3.021 1.00 0.00 C ATOM 994 CE LYS A 58 10.376 -0.929 3.644 1.00 0.00 C ATOM 995 NZ LYS A 58 9.404 -1.831 4.312 1.00 0.00 N ATOM 0 H LYS A 58 6.638 2.721 0.140 1.00 0.00 H new ATOM 0 HA LYS A 58 8.524 0.852 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.001 1.995 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.487 1.467 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.257 -0.839 1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.706 -0.441 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.453 1.056 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.988 0.706 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.909 -1.482 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.119 -0.598 4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.908 -2.644 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.912 -1.313 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.709 -2.169 3.616 1.00 0.00 H new ATOM 1009 N MET A 59 5.605 -0.228 0.117 1.00 0.00 N ATOM 1010 CA MET A 59 4.712 -1.389 0.088 1.00 0.00 C ATOM 1011 C MET A 59 4.636 -1.927 -1.324 1.00 0.00 C ATOM 1012 O MET A 59 4.838 -3.113 -1.560 1.00 0.00 O ATOM 1013 CB MET A 59 3.289 -1.042 0.515 1.00 0.00 C ATOM 1014 CG MET A 59 3.163 -0.350 1.848 1.00 0.00 C ATOM 1015 SD MET A 59 1.450 0.072 2.204 1.00 0.00 S ATOM 1016 CE MET A 59 0.942 0.668 0.586 1.00 0.00 C ATOM 0 H MET A 59 5.183 0.624 0.487 1.00 0.00 H new ATOM 0 HA MET A 59 5.123 -2.120 0.785 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.844 -0.405 -0.249 1.00 0.00 H new ATOM 0 HB3 MET A 59 2.703 -1.961 0.545 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.552 -0.997 2.634 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.771 0.555 1.850 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.032 1.260 0.685 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.733 1.287 0.161 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.753 -0.181 -0.071 1.00 0.00 H new ATOM 1026 N ILE A 60 4.333 -1.029 -2.258 1.00 0.00 N ATOM 1027 CA ILE A 60 4.217 -1.389 -3.664 1.00 0.00 C ATOM 1028 C ILE A 60 5.541 -1.926 -4.193 1.00 0.00 C ATOM 1029 O ILE A 60 5.569 -2.921 -4.914 1.00 0.00 O ATOM 1030 CB ILE A 60 3.739 -0.181 -4.512 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.229 0.033 -4.358 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.080 -0.369 -5.985 1.00 0.00 C ATOM 1033 CD1 ILE A 60 1.788 0.489 -2.984 1.00 0.00 C ATOM 0 H ILE A 60 4.163 -0.042 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 60 3.468 -2.176 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 60 4.263 0.700 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.904 0.771 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.718 -0.900 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.732 0.494 -6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.160 -0.467 -6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.593 -1.269 -6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.705 0.613 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.076 -0.257 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.265 1.440 -2.746 1.00 0.00 H new ATOM 1045 N LEU A 61 6.637 -1.284 -3.804 1.00 0.00 N ATOM 1046 CA LEU A 61 7.967 -1.715 -4.218 1.00 0.00 C ATOM 1047 C LEU A 61 8.226 -3.155 -3.774 1.00 0.00 C ATOM 1048 O LEU A 61 8.970 -3.891 -4.420 1.00 0.00 O ATOM 1049 CB LEU A 61 9.033 -0.787 -3.631 1.00 0.00 C ATOM 1050 CG LEU A 61 10.466 -1.063 -4.086 1.00 0.00 C ATOM 1051 CD1 LEU A 61 10.616 -0.799 -5.575 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.449 -0.220 -3.288 1.00 0.00 C ATOM 0 H LEU A 61 6.630 -0.461 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 61 8.019 -1.670 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.779 0.241 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.995 -0.859 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 61 10.689 -2.114 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.643 -1.001 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.939 -1.449 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.374 0.243 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.464 -0.429 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.227 0.837 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.361 -0.463 -2.229 1.00 0.00 H new ATOM 1064 N LYS A 62 7.596 -3.558 -2.675 1.00 0.00 N ATOM 1065 CA LYS A 62 7.763 -4.908 -2.168 1.00 0.00 C ATOM 1066 C LYS A 62 6.452 -5.697 -2.275 1.00 0.00 C ATOM 1067 O LYS A 62 6.113 -6.487 -1.394 1.00 0.00 O ATOM 1068 CB LYS A 62 8.255 -4.864 -0.717 1.00 0.00 C ATOM 1069 CG LYS A 62 8.842 -6.174 -0.194 1.00 0.00 C ATOM 1070 CD LYS A 62 10.173 -6.530 -0.850 1.00 0.00 C ATOM 1071 CE LYS A 62 10.003 -7.175 -2.224 1.00 0.00 C ATOM 1072 NZ LYS A 62 9.208 -8.430 -2.164 1.00 0.00 N ATOM 0 H LYS A 62 6.970 -2.971 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 62 8.510 -5.419 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.011 -4.084 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.423 -4.575 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.982 -6.099 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.130 -6.981 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.776 -5.628 -0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.723 -7.211 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.514 -6.470 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.985 -7.389 -2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.395 -9.000 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.477 -8.971 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.195 -8.198 -2.119 1.00 0.00 H new ATOM 1086 N LYS A 63 5.720 -5.473 -3.362 1.00 0.00 N ATOM 1087 CA LYS A 63 4.466 -6.160 -3.610 1.00 0.00 C ATOM 1088 C LYS A 63 4.464 -6.686 -5.042 1.00 0.00 C ATOM 1089 O LYS A 63 5.525 -6.871 -5.641 1.00 0.00 O ATOM 1090 CB LYS A 63 3.278 -5.212 -3.377 1.00 0.00 C ATOM 1091 CG LYS A 63 2.260 -5.752 -2.380 1.00 0.00 C ATOM 1092 CD LYS A 63 2.794 -5.749 -0.957 1.00 0.00 C ATOM 1093 CE LYS A 63 1.851 -6.461 0.004 1.00 0.00 C ATOM 1094 NZ LYS A 63 2.421 -6.547 1.375 1.00 0.00 N ATOM 0 H LYS A 63 5.982 -4.811 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 63 4.365 -6.996 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.653 -4.253 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.780 -5.025 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.353 -5.150 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.983 -6.768 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.770 -6.234 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.941 -4.721 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.899 -5.931 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.644 -7.465 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.691 -6.293 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.748 -7.518 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.223 -5.890 1.459 1.00 0.00 H new ATOM 1108 N ASP A 64 3.290 -6.917 -5.595 1.00 0.00 N ATOM 1109 CA ASP A 64 3.172 -7.407 -6.961 1.00 0.00 C ATOM 1110 C ASP A 64 2.360 -6.427 -7.767 1.00 0.00 C ATOM 1111 O ASP A 64 1.837 -5.448 -7.223 1.00 0.00 O ATOM 1112 CB ASP A 64 2.508 -8.791 -7.008 1.00 0.00 C ATOM 1113 CG ASP A 64 3.210 -9.825 -6.149 1.00 0.00 C ATOM 1114 OD1 ASP A 64 3.066 -9.775 -4.907 1.00 0.00 O ATOM 1115 OD2 ASP A 64 3.911 -10.696 -6.703 1.00 0.00 O ATOM 0 H ASP A 64 2.399 -6.774 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 64 4.174 -7.504 -7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.472 -8.700 -6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.487 -9.141 -8.040 1.00 0.00 H new ATOM 1120 N ASN A 65 2.251 -6.684 -9.063 1.00 0.00 N ATOM 1121 CA ASN A 65 1.499 -5.807 -9.943 1.00 0.00 C ATOM 1122 C ASN A 65 0.037 -5.762 -9.537 1.00 0.00 C ATOM 1123 O ASN A 65 -0.652 -4.798 -9.825 1.00 0.00 O ATOM 1124 CB ASN A 65 1.651 -6.208 -11.413 1.00 0.00 C ATOM 1125 CG ASN A 65 1.465 -7.692 -11.665 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.483 -8.300 -11.240 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.409 -8.280 -12.381 1.00 0.00 N ATOM 0 H ASN A 65 2.673 -7.490 -9.525 1.00 0.00 H new ATOM 0 HA ASN A 65 1.914 -4.804 -9.839 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.925 -5.654 -12.008 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.641 -5.911 -11.760 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.339 -9.274 -12.600 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.207 -7.740 -12.714 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.424 -6.784 -8.830 1.00 0.00 N ATOM 1135 CA ASP A 66 -1.803 -6.806 -8.362 1.00 0.00 C ATOM 1136 C ASP A 66 -2.060 -5.604 -7.458 1.00 0.00 C ATOM 1137 O ASP A 66 -3.021 -4.856 -7.662 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.118 -8.103 -7.620 1.00 0.00 C ATOM 1139 CG ASP A 66 -2.449 -9.246 -8.559 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -3.366 -9.092 -9.393 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -1.808 -10.311 -8.456 1.00 0.00 O ATOM 0 H ASP A 66 0.129 -7.601 -8.570 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.459 -6.753 -9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.264 -8.381 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.958 -7.937 -6.946 1.00 0.00 H new ATOM 1146 N SER A 67 -1.182 -5.392 -6.479 1.00 0.00 N ATOM 1147 CA SER A 67 -1.328 -4.247 -5.583 1.00 0.00 C ATOM 1148 C SER A 67 -0.916 -2.980 -6.289 1.00 0.00 C ATOM 1149 O SER A 67 -1.372 -1.898 -5.953 1.00 0.00 O ATOM 1150 CB SER A 67 -0.464 -4.381 -4.349 1.00 0.00 C ATOM 1151 OG SER A 67 -0.369 -5.729 -3.936 1.00 0.00 O ATOM 0 H SER A 67 -0.376 -5.987 -6.288 1.00 0.00 H new ATOM 0 HA SER A 67 -2.377 -4.212 -5.288 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.532 -3.990 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.882 -3.779 -3.542 1.00 0.00 H new ATOM 0 HG SER A 67 -0.720 -5.818 -3.025 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.035 -3.121 -7.264 1.00 0.00 N ATOM 1158 CA TYR A 68 0.444 -1.981 -8.012 1.00 0.00 C ATOM 1159 C TYR A 68 -0.683 -1.424 -8.878 1.00 0.00 C ATOM 1160 O TYR A 68 -0.856 -0.214 -8.961 1.00 0.00 O ATOM 1161 CB TYR A 68 1.671 -2.366 -8.844 1.00 0.00 C ATOM 1162 CG TYR A 68 2.318 -1.214 -9.569 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.096 0.104 -9.180 1.00 0.00 C ATOM 1164 CD2 TYR A 68 3.144 -1.448 -10.647 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.680 1.151 -9.857 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.732 -0.409 -11.327 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.499 0.890 -10.929 1.00 0.00 C ATOM 1168 OH TYR A 68 4.081 1.926 -11.616 1.00 0.00 O ATOM 0 H TYR A 68 0.361 -4.015 -7.553 1.00 0.00 H new ATOM 0 HA TYR A 68 0.756 -1.196 -7.323 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.409 -2.827 -8.188 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.378 -3.120 -9.574 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.456 0.308 -8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.332 -2.464 -10.962 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.496 2.169 -9.548 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.375 -0.610 -12.171 1.00 0.00 H new ATOM 0 HH TYR A 68 4.890 1.606 -12.067 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.482 -2.300 -9.481 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.612 -1.838 -10.277 1.00 0.00 C ATOM 1180 C VAL A 69 -3.653 -1.248 -9.330 1.00 0.00 C ATOM 1181 O VAL A 69 -4.352 -0.297 -9.667 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.238 -2.948 -11.151 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.353 -2.381 -12.017 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.183 -3.592 -12.033 1.00 0.00 C ATOM 0 H VAL A 69 -1.371 -3.313 -9.435 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.249 -1.084 -10.976 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.655 -3.705 -10.487 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.782 -3.177 -12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.127 -1.954 -11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.950 -1.605 -12.667 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.643 -4.371 -12.641 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.742 -2.837 -12.684 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.405 -4.031 -11.408 1.00 0.00 H new ATOM 1194 N SER A 70 -3.702 -1.780 -8.108 1.00 0.00 N ATOM 1195 CA SER A 70 -4.601 -1.251 -7.089 1.00 0.00 C ATOM 1196 C SER A 70 -4.103 0.138 -6.693 1.00 0.00 C ATOM 1197 O SER A 70 -4.878 1.092 -6.662 1.00 0.00 O ATOM 1198 CB SER A 70 -4.656 -2.172 -5.872 1.00 0.00 C ATOM 1199 OG SER A 70 -5.434 -1.609 -4.831 1.00 0.00 O ATOM 0 H SER A 70 -3.134 -2.570 -7.804 1.00 0.00 H new ATOM 0 HA SER A 70 -5.613 -1.188 -7.488 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.076 -3.135 -6.162 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.645 -2.361 -5.511 1.00 0.00 H new ATOM 0 HG SER A 70 -6.322 -1.379 -5.174 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.794 0.254 -6.428 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.197 1.553 -6.092 1.00 0.00 C ATOM 1207 C PHE A 71 -2.427 2.518 -7.260 1.00 0.00 C ATOM 1208 O PHE A 71 -2.740 3.690 -7.065 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.698 1.401 -5.788 1.00 0.00 C ATOM 1210 CG PHE A 71 0.019 2.705 -5.583 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.407 3.608 -4.622 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.118 3.026 -6.363 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.253 4.805 -4.440 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.782 4.224 -6.183 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.348 5.114 -5.225 1.00 0.00 C ATOM 0 H PHE A 71 -2.136 -0.525 -6.439 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.670 1.953 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.579 0.788 -4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.224 0.863 -6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.265 3.372 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.459 2.334 -7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.085 5.500 -3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.641 4.463 -6.793 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.863 6.053 -5.087 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.319 1.984 -8.476 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.567 2.743 -9.704 1.00 0.00 C ATOM 1227 C TYR A 72 -3.995 3.268 -9.675 1.00 0.00 C ATOM 1228 O TYR A 72 -4.262 4.444 -9.911 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.372 1.813 -10.910 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.949 2.321 -12.215 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.326 3.327 -12.937 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.124 1.778 -12.730 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.859 3.785 -14.127 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.661 2.233 -13.919 1.00 0.00 C ATOM 1235 CZ TYR A 72 -4.021 3.234 -14.615 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.554 3.693 -15.799 1.00 0.00 O ATOM 0 H TYR A 72 -2.057 1.012 -8.639 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.875 3.582 -9.781 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.305 1.640 -11.046 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.825 0.848 -10.682 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.410 3.760 -12.564 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.624 0.987 -12.190 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.364 4.574 -14.673 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.577 1.806 -14.300 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.375 3.197 -16.002 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.894 2.357 -9.355 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.320 2.642 -9.244 1.00 0.00 C ATOM 1248 C ASN A 73 -6.564 3.732 -8.200 1.00 0.00 C ATOM 1249 O ASN A 73 -7.390 4.624 -8.393 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.041 1.351 -8.835 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.532 1.369 -9.101 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.245 2.291 -8.709 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.019 0.319 -9.741 1.00 0.00 N ATOM 0 H ASN A 73 -4.656 1.384 -9.161 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.702 2.997 -10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.596 0.513 -9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.874 1.174 -7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.020 0.253 -9.926 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.394 -0.425 -10.050 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.822 3.656 -7.099 1.00 0.00 N ATOM 1261 CA ALA A 74 -5.931 4.627 -6.018 1.00 0.00 C ATOM 1262 C ALA A 74 -5.508 6.010 -6.489 1.00 0.00 C ATOM 1263 O ALA A 74 -6.050 7.018 -6.040 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.100 4.197 -4.823 1.00 0.00 C ATOM 0 H ALA A 74 -5.132 2.923 -6.933 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.976 4.674 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.196 4.936 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.452 3.230 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.054 4.115 -5.118 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.559 6.050 -7.415 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.095 7.310 -7.968 1.00 0.00 C ATOM 1272 C LEU A 75 -5.226 7.953 -8.766 1.00 0.00 C ATOM 1273 O LEU A 75 -5.452 9.159 -8.685 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.864 7.092 -8.851 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.599 6.648 -8.110 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.493 6.300 -9.093 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.129 7.737 -7.157 1.00 0.00 C ATOM 0 H LEU A 75 -4.098 5.224 -7.797 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.805 7.976 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.106 6.343 -9.605 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.648 8.020 -9.381 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.841 5.756 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.396 5.987 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.824 5.488 -9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.257 7.174 -9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.229 7.404 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.909 8.644 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.912 7.945 -6.427 1.00 0.00 H new ATOM 1289 N LEU A 76 -5.969 7.125 -9.499 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.113 7.603 -10.273 1.00 0.00 C ATOM 1291 C LEU A 76 -8.241 8.004 -9.326 1.00 0.00 C ATOM 1292 O LEU A 76 -9.099 8.820 -9.668 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.614 6.520 -11.242 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.912 6.450 -12.603 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.449 6.081 -12.456 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.617 5.452 -13.506 1.00 0.00 C ATOM 0 H LEU A 76 -5.800 6.122 -9.573 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.796 8.467 -10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.512 5.551 -10.754 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.678 6.680 -11.414 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.962 7.440 -13.055 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.983 6.041 -13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.944 6.830 -11.846 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.366 5.106 -11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.109 5.411 -14.470 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.597 4.465 -13.043 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.651 5.763 -13.654 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.218 7.422 -8.130 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.210 7.691 -7.118 1.00 0.00 C ATOM 1310 C HIS A 77 -9.049 9.084 -6.520 1.00 0.00 C ATOM 1311 O HIS A 77 -10.031 9.675 -6.080 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.117 6.642 -6.006 1.00 0.00 C ATOM 1313 CG HIS A 77 -9.976 5.427 -6.220 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.327 5.484 -6.487 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -9.664 4.112 -6.178 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -11.804 4.255 -6.600 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -10.814 3.410 -6.416 1.00 0.00 N ATOM 0 H HIS A 77 -7.505 6.751 -7.844 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.189 7.642 -7.596 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.079 6.325 -5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.397 7.107 -5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.686 3.693 -5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -12.831 3.991 -6.808 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.891 2.393 -6.446 1.00 0.00 H new ATOM 1326 N GLU A 78 -7.820 9.601 -6.482 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.583 10.923 -5.900 1.00 0.00 C ATOM 1328 C GLU A 78 -6.987 11.931 -6.893 1.00 0.00 C ATOM 1329 O GLU A 78 -6.169 12.773 -6.526 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.715 10.811 -4.644 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.404 10.085 -3.503 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.708 10.741 -3.097 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -8.688 11.941 -2.762 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.752 10.054 -3.106 1.00 0.00 O ATOM 0 H GLU A 78 -6.987 9.135 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.561 11.317 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.792 10.288 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.435 11.811 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.597 9.053 -3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.736 10.051 -2.643 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.466 11.876 -8.129 1.00 0.00 N ATOM 1342 CA GLY A 79 -7.063 12.827 -9.160 1.00 0.00 C ATOM 1343 C GLY A 79 -5.594 12.807 -9.587 1.00 0.00 C ATOM 1344 O GLY A 79 -5.139 13.756 -10.224 1.00 0.00 O ATOM 0 H GLY A 79 -8.139 11.178 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.675 12.648 -10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.299 13.831 -8.806 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.852 11.749 -9.289 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.450 11.676 -9.710 1.00 0.00 C ATOM 1350 C TYR A 80 -3.305 10.713 -10.887 1.00 0.00 C ATOM 1351 O TYR A 80 -2.508 9.767 -10.865 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.535 11.263 -8.548 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.413 12.317 -7.468 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.637 13.452 -7.668 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.054 12.168 -6.245 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -1.518 14.416 -6.688 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -2.938 13.130 -5.259 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.159 14.246 -5.483 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.033 15.206 -4.508 1.00 0.00 O ATOM 0 H TYR A 80 -5.186 10.939 -8.766 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.139 12.670 -10.030 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.917 10.343 -8.105 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.543 11.040 -8.940 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.118 13.582 -8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.652 11.288 -6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.924 15.300 -6.866 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.455 13.008 -4.318 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.921 15.450 -4.173 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.107 10.964 -11.911 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.115 10.131 -13.102 1.00 0.00 C ATOM 1371 C LYS A 81 -2.912 10.378 -14.017 1.00 0.00 C ATOM 1372 O LYS A 81 -2.655 9.576 -14.900 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.435 10.311 -13.867 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.766 11.754 -14.231 1.00 0.00 C ATOM 1375 CD LYS A 81 -5.304 12.100 -15.634 1.00 0.00 C ATOM 1376 CE LYS A 81 -5.851 13.443 -16.098 1.00 0.00 C ATOM 1377 NZ LYS A 81 -5.257 14.584 -15.354 1.00 0.00 N ATOM 0 H LYS A 81 -4.764 11.743 -11.940 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.032 9.097 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.393 9.720 -14.782 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.248 9.907 -13.263 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.842 11.911 -14.153 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.293 12.427 -13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.215 12.123 -15.662 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.624 11.320 -16.324 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.653 13.565 -17.163 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.934 13.455 -15.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.673 15.474 -15.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.453 14.476 -14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.229 14.601 -15.508 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.168 11.466 -13.814 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.998 11.730 -14.658 1.00 0.00 C ATOM 1393 C ASP A 82 0.185 10.889 -14.202 1.00 0.00 C ATOM 1394 O ASP A 82 0.891 10.310 -15.029 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.639 13.218 -14.694 1.00 0.00 C ATOM 1396 CG ASP A 82 -1.512 13.992 -15.662 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -2.698 14.208 -15.357 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -1.028 14.350 -16.755 1.00 0.00 O ATOM 0 H ASP A 82 -2.346 12.164 -13.092 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.255 11.444 -15.678 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.744 13.640 -13.695 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.407 13.331 -14.979 1.00 0.00 H new ATOM 1403 N LEU A 83 0.385 10.778 -12.892 1.00 0.00 N ATOM 1404 CA LEU A 83 1.466 9.949 -12.376 1.00 0.00 C ATOM 1405 C LEU A 83 1.149 8.512 -12.752 1.00 0.00 C ATOM 1406 O LEU A 83 1.989 7.787 -13.278 1.00 0.00 O ATOM 1407 CB LEU A 83 1.585 10.080 -10.855 1.00 0.00 C ATOM 1408 CG LEU A 83 3.005 9.953 -10.270 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.656 8.618 -10.612 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.889 11.093 -10.747 1.00 0.00 C ATOM 0 H LEU A 83 -0.178 11.244 -12.180 1.00 0.00 H new ATOM 0 HA LEU A 83 2.417 10.267 -12.803 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.179 11.048 -10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.956 9.318 -10.395 1.00 0.00 H new ATOM 0 HG LEU A 83 2.902 10.004 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.655 8.578 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.052 7.805 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.728 8.515 -11.695 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.886 10.983 -10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.954 11.072 -11.835 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.461 12.043 -10.427 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.101 8.135 -12.509 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.583 6.800 -12.848 1.00 0.00 C ATOM 1424 C ALA A 84 -0.485 6.556 -14.356 1.00 0.00 C ATOM 1425 O ALA A 84 -0.256 5.431 -14.780 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.018 6.626 -12.383 1.00 0.00 C ATOM 0 H ALA A 84 -0.802 8.737 -12.077 1.00 0.00 H new ATOM 0 HA ALA A 84 0.045 6.069 -12.339 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.366 5.626 -12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.069 6.759 -11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.651 7.368 -12.870 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.636 7.606 -15.167 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.527 7.460 -16.619 1.00 0.00 C ATOM 1434 C ALA A 85 0.899 7.088 -16.975 1.00 0.00 C ATOM 1435 O ALA A 85 1.142 6.289 -17.880 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.944 8.736 -17.337 1.00 0.00 C ATOM 0 H ALA A 85 -0.832 8.555 -14.848 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.203 6.670 -16.945 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.852 8.594 -18.414 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.979 8.971 -17.090 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.300 9.557 -17.022 1.00 0.00 H new ATOM 1442 N LEU A 86 1.835 7.637 -16.215 1.00 0.00 N ATOM 1443 CA LEU A 86 3.239 7.328 -16.402 1.00 0.00 C ATOM 1444 C LEU A 86 3.470 5.844 -16.124 1.00 0.00 C ATOM 1445 O LEU A 86 4.286 5.196 -16.770 1.00 0.00 O ATOM 1446 CB LEU A 86 4.106 8.159 -15.455 1.00 0.00 C ATOM 1447 CG LEU A 86 4.130 9.660 -15.733 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.738 10.412 -14.560 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.913 9.941 -17.003 1.00 0.00 C ATOM 0 H LEU A 86 1.644 8.299 -15.463 1.00 0.00 H new ATOM 0 HA LEU A 86 3.515 7.566 -17.429 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.754 8.002 -14.436 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.128 7.782 -15.501 1.00 0.00 H new ATOM 0 HG LEU A 86 3.105 10.006 -15.866 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.746 11.480 -14.777 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.145 10.229 -13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.759 10.067 -14.397 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.925 11.014 -17.193 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.936 9.582 -16.887 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.442 9.429 -17.842 1.00 0.00 H new ATOM 1461 N LEU A 87 2.731 5.331 -15.140 1.00 0.00 N ATOM 1462 CA LEU A 87 2.830 3.933 -14.729 1.00 0.00 C ATOM 1463 C LEU A 87 1.941 3.049 -15.597 1.00 0.00 C ATOM 1464 O LEU A 87 2.098 1.834 -15.621 1.00 0.00 O ATOM 1465 CB LEU A 87 2.399 3.763 -13.273 1.00 0.00 C ATOM 1466 CG LEU A 87 2.583 4.975 -12.360 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.259 4.600 -10.924 1.00 0.00 C ATOM 1468 CD2 LEU A 87 3.999 5.508 -12.448 1.00 0.00 C ATOM 0 H LEU A 87 2.049 5.872 -14.608 1.00 0.00 H new ATOM 0 HA LEU A 87 3.872 3.636 -14.843 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.346 3.483 -13.260 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.956 2.928 -12.848 1.00 0.00 H new ATOM 0 HG LEU A 87 1.900 5.758 -12.690 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.393 5.470 -10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.226 4.259 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.925 3.802 -10.597 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.105 6.370 -11.789 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.700 4.731 -12.144 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.212 5.807 -13.474 1.00 0.00 H new ATOM 1480 N HIS A 88 0.998 3.675 -16.297 1.00 0.00 N ATOM 1481 CA HIS A 88 0.052 2.974 -17.167 1.00 0.00 C ATOM 1482 C HIS A 88 0.801 2.200 -18.241 1.00 0.00 C ATOM 1483 O HIS A 88 0.259 1.301 -18.877 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.910 3.981 -17.808 1.00 0.00 C ATOM 1485 CG HIS A 88 -2.193 3.385 -18.295 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -3.151 4.117 -18.948 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.670 2.122 -18.222 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -4.162 3.335 -19.256 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.899 2.115 -18.829 1.00 0.00 N ATOM 0 H HIS A 88 0.867 4.686 -16.278 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.524 2.267 -16.570 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.138 4.761 -17.081 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.407 4.464 -18.646 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.175 1.276 -17.769 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.059 3.641 -19.773 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.508 1.303 -18.933 1.00 0.00 H new ATOM 1498 N ASP A 89 2.063 2.548 -18.403 1.00 0.00 N ATOM 1499 CA ASP A 89 2.932 1.886 -19.368 1.00 0.00 C ATOM 1500 C ASP A 89 3.223 0.458 -18.915 1.00 0.00 C ATOM 1501 O ASP A 89 3.350 -0.459 -19.730 1.00 0.00 O ATOM 1502 CB ASP A 89 4.236 2.686 -19.529 1.00 0.00 C ATOM 1503 CG ASP A 89 5.118 2.177 -20.657 1.00 0.00 C ATOM 1504 OD1 ASP A 89 5.620 1.040 -20.569 1.00 0.00 O ATOM 1505 OD2 ASP A 89 5.313 2.925 -21.635 1.00 0.00 O ATOM 0 H ASP A 89 2.517 3.293 -17.874 1.00 0.00 H new ATOM 0 HA ASP A 89 2.431 1.842 -20.335 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.992 3.732 -19.712 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.795 2.648 -18.594 1.00 0.00 H new ATOM 1510 N GLY A 90 3.308 0.282 -17.604 1.00 0.00 N ATOM 1511 CA GLY A 90 3.571 -1.023 -17.039 1.00 0.00 C ATOM 1512 C GLY A 90 2.323 -1.695 -16.480 1.00 0.00 C ATOM 1513 O GLY A 90 2.312 -2.902 -16.253 1.00 0.00 O ATOM 0 H GLY A 90 3.198 1.028 -16.917 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.008 -1.663 -17.806 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.311 -0.926 -16.245 1.00 0.00 H new ATOM 1517 N ILE A 91 1.275 -0.911 -16.250 1.00 0.00 N ATOM 1518 CA ILE A 91 0.026 -1.434 -15.704 1.00 0.00 C ATOM 1519 C ILE A 91 -0.873 -1.977 -16.810 1.00 0.00 C ATOM 1520 O ILE A 91 -1.083 -1.327 -17.832 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.729 -0.352 -14.872 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.208 -0.314 -13.437 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.228 -0.600 -14.846 1.00 0.00 C ATOM 1524 CD1 ILE A 91 1.270 -0.063 -13.333 1.00 0.00 C ATOM 0 H ILE A 91 1.265 0.092 -16.434 1.00 0.00 H new ATOM 0 HA ILE A 91 0.283 -2.256 -15.036 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.543 0.605 -15.359 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.738 0.465 -12.889 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.441 -1.261 -12.951 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.715 0.176 -14.256 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.618 -0.581 -15.864 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.428 -1.574 -14.399 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.564 -0.050 -12.283 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.811 -0.855 -13.852 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.509 0.898 -13.788 1.00 0.00 H new ATOM 1536 N PRO A 92 -1.404 -3.194 -16.613 1.00 0.00 N ATOM 1537 CA PRO A 92 -2.283 -3.844 -17.588 1.00 0.00 C ATOM 1538 C PRO A 92 -3.561 -3.048 -17.842 1.00 0.00 C ATOM 1539 O PRO A 92 -3.913 -2.139 -17.086 1.00 0.00 O ATOM 1540 CB PRO A 92 -2.620 -5.191 -16.941 1.00 0.00 C ATOM 1541 CG PRO A 92 -1.565 -5.406 -15.915 1.00 0.00 C ATOM 1542 CD PRO A 92 -1.181 -4.040 -15.432 1.00 0.00 C ATOM 0 HA PRO A 92 -1.801 -3.935 -18.561 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.611 -5.173 -16.488 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.621 -5.993 -17.679 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.936 -6.021 -15.095 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.707 -5.926 -16.340 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.794 -3.724 -14.588 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.143 -4.006 -15.102 1.00 0.00 H new