USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 CYS SG : rot -39:sc= 0.0126 USER MOD Set 2.1: A 45 MET CE :methyl 147:sc= -2.92! (180deg=-5.39!) USER MOD Set 2.2: A 80 MET CE :methyl 153:sc= -3.48! (180deg=-4.45!) USER MOD Set 3.1: A 38 THR OG1 : rot 160:sc= -3.45! USER MOD Set 3.2: A 58 GLN : amide:sc= -0.931 X(o=-4.4,f=-3.9) USER MOD Set 4.1: A 35 CYS SG : rot -94:sc= 0.305 USER MOD Set 4.2: A 69 SER OG : rot -90:sc= 0.189 USER MOD Set 4.3: A 71 THR OG1 : rot 142:sc= 0.803 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.0326 X(o=0.033,f=-0.15) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc=-0.000304 K(o=-0.0003,f=-1.5) USER MOD Single : A 53 THR OG1 : rot -155:sc= 0.307 USER MOD Single : A 81 MET CE :methyl 174:sc= 0 (180deg=-0.00708) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.660 -5.606 -16.996 1.00 0.00 N ATOM 47 CA ILE A 4 7.373 -6.151 -16.544 1.00 0.00 C ATOM 48 C ILE A 4 6.302 -5.054 -16.524 1.00 0.00 C ATOM 49 O ILE A 4 5.115 -5.334 -16.692 1.00 0.00 O ATOM 50 CB ILE A 4 7.488 -6.781 -15.144 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.941 -5.731 -14.116 1.00 0.00 C ATOM 52 CG2 ILE A 4 8.506 -7.924 -15.182 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.717 -5.018 -13.539 1.00 0.00 C ATOM 0 HA ILE A 4 7.083 -6.929 -17.250 1.00 0.00 H new ATOM 0 HB ILE A 4 6.510 -7.163 -14.850 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.506 -6.210 -13.316 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.607 -5.008 -14.588 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.588 -8.371 -14.191 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.178 -8.680 -15.895 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.478 -7.536 -15.487 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.039 -4.274 -12.810 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.170 -4.525 -14.343 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.068 -5.746 -13.052 1.00 0.00 H new ATOM 65 N TYR A 5 6.740 -3.804 -16.329 1.00 0.00 N ATOM 66 CA TYR A 5 5.819 -2.665 -16.301 1.00 0.00 C ATOM 67 C TYR A 5 5.272 -2.398 -17.702 1.00 0.00 C ATOM 68 O TYR A 5 4.116 -2.004 -17.868 1.00 0.00 O ATOM 69 CB TYR A 5 6.531 -1.407 -15.788 1.00 0.00 C ATOM 70 CG TYR A 5 7.032 -1.656 -14.383 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.140 -1.626 -13.306 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.388 -1.930 -14.162 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.601 -1.869 -12.009 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.850 -2.171 -12.863 1.00 0.00 C ATOM 75 CZ TYR A 5 7.956 -2.143 -11.787 1.00 0.00 C ATOM 76 OH TYR A 5 8.410 -2.385 -10.505 1.00 0.00 O ATOM 0 H TYR A 5 7.720 -3.558 -16.189 1.00 0.00 H new ATOM 0 HA TYR A 5 4.997 -2.908 -15.628 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.364 -1.153 -16.444 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.847 -0.558 -15.798 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.095 -1.415 -13.477 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.077 -1.955 -14.994 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.912 -1.845 -11.178 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.896 -2.378 -12.691 1.00 0.00 H new ATOM 0 HH TYR A 5 9.374 -2.559 -10.527 1.00 0.00 H new ATOM 86 N LYS A 6 6.119 -2.639 -18.708 1.00 0.00 N ATOM 87 CA LYS A 6 5.719 -2.445 -20.107 1.00 0.00 C ATOM 88 C LYS A 6 4.752 -3.548 -20.516 1.00 0.00 C ATOM 89 O LYS A 6 3.745 -3.298 -21.180 1.00 0.00 O ATOM 90 CB LYS A 6 6.941 -2.468 -21.040 1.00 0.00 C ATOM 91 CG LYS A 6 8.067 -1.601 -20.461 1.00 0.00 C ATOM 92 CD LYS A 6 7.494 -0.273 -19.956 1.00 0.00 C ATOM 93 CE LYS A 6 8.521 0.420 -19.056 1.00 0.00 C ATOM 94 NZ LYS A 6 8.325 1.898 -19.116 1.00 0.00 N ATOM 0 H LYS A 6 7.077 -2.966 -18.583 1.00 0.00 H new ATOM 0 HA LYS A 6 5.236 -1.472 -20.194 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.290 -3.492 -21.168 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.661 -2.101 -22.027 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.561 -2.128 -19.645 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.823 -1.414 -21.224 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.242 0.370 -20.799 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.572 -0.450 -19.403 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.414 0.070 -18.029 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.531 0.164 -19.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.024 2.366 -18.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.448 2.225 -20.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.366 2.135 -18.790 1.00 0.00 H new ATOM 108 N ALA A 7 5.062 -4.770 -20.082 1.00 0.00 N ATOM 109 CA ALA A 7 4.204 -5.918 -20.373 1.00 0.00 C ATOM 110 C ALA A 7 2.850 -5.742 -19.681 1.00 0.00 C ATOM 111 O ALA A 7 1.812 -6.132 -20.215 1.00 0.00 O ATOM 112 CB ALA A 7 4.852 -7.214 -19.880 1.00 0.00 C ATOM 0 H ALA A 7 5.893 -4.989 -19.533 1.00 0.00 H new ATOM 0 HA ALA A 7 4.065 -5.977 -21.452 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.198 -8.056 -20.106 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.811 -7.354 -20.380 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.009 -7.155 -18.803 1.00 0.00 H new ATOM 118 N ALA A 8 2.882 -5.133 -18.486 1.00 0.00 N ATOM 119 CA ALA A 8 1.667 -4.886 -17.711 1.00 0.00 C ATOM 120 C ALA A 8 0.757 -3.891 -18.427 1.00 0.00 C ATOM 121 O ALA A 8 -0.464 -4.012 -18.371 1.00 0.00 O ATOM 122 CB ALA A 8 2.019 -4.316 -16.338 1.00 0.00 C ATOM 0 H ALA A 8 3.738 -4.804 -18.039 1.00 0.00 H new ATOM 0 HA ALA A 8 1.149 -5.839 -17.599 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.104 -4.137 -15.773 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.646 -5.026 -15.799 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.559 -3.377 -16.461 1.00 0.00 H new ATOM 128 N VAL A 9 1.370 -2.904 -19.091 1.00 0.00 N ATOM 129 CA VAL A 9 0.612 -1.880 -19.817 1.00 0.00 C ATOM 130 C VAL A 9 -0.422 -2.518 -20.755 1.00 0.00 C ATOM 131 O VAL A 9 -1.589 -2.122 -20.766 1.00 0.00 O ATOM 132 CB VAL A 9 1.579 -0.999 -20.625 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.838 -0.290 -21.764 1.00 0.00 C ATOM 134 CG2 VAL A 9 2.205 0.048 -19.700 1.00 0.00 C ATOM 0 H VAL A 9 2.383 -2.793 -19.140 1.00 0.00 H new ATOM 0 HA VAL A 9 0.077 -1.268 -19.091 1.00 0.00 H new ATOM 0 HB VAL A 9 2.356 -1.633 -21.052 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.539 0.329 -22.324 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.397 -1.033 -22.429 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.050 0.339 -21.350 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.891 0.674 -20.271 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.420 0.669 -19.270 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.751 -0.453 -18.900 1.00 0.00 H new ATOM 144 N GLU A 10 0.024 -3.506 -21.535 1.00 0.00 N ATOM 145 CA GLU A 10 -0.865 -4.197 -22.477 1.00 0.00 C ATOM 146 C GLU A 10 -1.910 -5.052 -21.746 1.00 0.00 C ATOM 147 O GLU A 10 -2.938 -5.411 -22.324 1.00 0.00 O ATOM 148 CB GLU A 10 -0.055 -5.101 -23.413 1.00 0.00 C ATOM 149 CG GLU A 10 0.738 -4.240 -24.403 1.00 0.00 C ATOM 150 CD GLU A 10 -0.195 -3.711 -25.490 1.00 0.00 C ATOM 151 OE1 GLU A 10 -0.398 -4.416 -26.465 1.00 0.00 O ATOM 152 OE2 GLU A 10 -0.693 -2.607 -25.331 1.00 0.00 O ATOM 0 H GLU A 10 0.986 -3.844 -21.535 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.380 -3.429 -23.053 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.625 -5.725 -22.833 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.722 -5.773 -23.953 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.210 -3.409 -23.879 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.538 -4.829 -24.852 1.00 0.00 H new ATOM 159 N GLN A 11 -1.642 -5.376 -20.474 1.00 0.00 N ATOM 160 CA GLN A 11 -2.571 -6.190 -19.684 1.00 0.00 C ATOM 161 C GLN A 11 -3.604 -5.317 -18.971 1.00 0.00 C ATOM 162 O GLN A 11 -4.713 -5.768 -18.682 1.00 0.00 O ATOM 163 CB GLN A 11 -1.816 -7.005 -18.630 1.00 0.00 C ATOM 164 CG GLN A 11 -0.741 -7.856 -19.306 1.00 0.00 C ATOM 165 CD GLN A 11 0.130 -8.524 -18.243 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.379 -9.056 -17.256 1.00 0.00 O ATOM 167 NE2 GLN A 11 1.428 -8.532 -18.390 1.00 0.00 N ATOM 0 H GLN A 11 -0.799 -5.090 -19.976 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.079 -6.859 -20.378 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.359 -6.337 -17.900 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.510 -7.645 -18.086 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.206 -8.613 -19.937 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.126 -7.234 -19.956 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.851 -8.092 -19.207 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.018 -8.978 -17.688 1.00 0.00 H new ATOM 176 N LEU A 12 -3.220 -4.068 -18.677 1.00 0.00 N ATOM 177 CA LEU A 12 -4.109 -3.133 -17.982 1.00 0.00 C ATOM 178 C LEU A 12 -5.455 -3.019 -18.700 1.00 0.00 C ATOM 179 O LEU A 12 -5.569 -2.375 -19.745 1.00 0.00 O ATOM 180 CB LEU A 12 -3.472 -1.740 -17.889 1.00 0.00 C ATOM 181 CG LEU A 12 -2.076 -1.682 -17.253 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.803 -0.263 -16.746 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.994 -2.665 -16.079 1.00 0.00 C ATOM 0 H LEU A 12 -2.304 -3.685 -18.909 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.270 -3.525 -16.978 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.410 -1.322 -18.894 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.138 -1.095 -17.316 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.332 -1.954 -18.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.812 -0.222 -16.295 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.851 0.437 -17.580 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.552 0.008 -16.002 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.000 -2.618 -15.633 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.741 -2.400 -15.330 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.183 -3.677 -16.438 1.00 0.00 H new ATOM 195 N THR A 13 -6.469 -3.655 -18.113 1.00 0.00 N ATOM 196 CA THR A 13 -7.820 -3.634 -18.679 1.00 0.00 C ATOM 197 C THR A 13 -8.667 -2.575 -17.979 1.00 0.00 C ATOM 198 O THR A 13 -8.263 -2.015 -16.957 1.00 0.00 O ATOM 199 CB THR A 13 -8.503 -5.003 -18.523 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.913 -5.717 -17.441 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.345 -5.807 -19.815 1.00 0.00 C ATOM 0 H THR A 13 -6.382 -4.190 -17.249 1.00 0.00 H new ATOM 0 HA THR A 13 -7.734 -3.398 -19.740 1.00 0.00 H new ATOM 0 HB THR A 13 -9.563 -4.852 -18.318 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.353 -6.587 -17.345 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.830 -6.777 -19.702 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.807 -5.264 -20.640 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.286 -5.953 -20.025 1.00 0.00 H new ATOM 209 N ASP A 14 -9.857 -2.323 -18.529 1.00 0.00 N ATOM 210 CA ASP A 14 -10.771 -1.342 -17.938 1.00 0.00 C ATOM 211 C ASP A 14 -11.178 -1.793 -16.537 1.00 0.00 C ATOM 212 O ASP A 14 -11.402 -0.974 -15.645 1.00 0.00 O ATOM 213 CB ASP A 14 -12.027 -1.180 -18.801 1.00 0.00 C ATOM 214 CG ASP A 14 -11.660 -0.517 -20.127 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.604 0.701 -20.163 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.440 -1.238 -21.087 1.00 0.00 O ATOM 0 H ASP A 14 -10.208 -2.778 -19.372 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.255 -0.383 -17.883 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.482 -2.153 -18.984 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.766 -0.577 -18.274 1.00 0.00 H new ATOM 221 N GLU A 15 -11.254 -3.116 -16.361 1.00 0.00 N ATOM 222 CA GLU A 15 -11.615 -3.705 -15.077 1.00 0.00 C ATOM 223 C GLU A 15 -10.493 -3.501 -14.055 1.00 0.00 C ATOM 224 O GLU A 15 -10.749 -3.196 -12.890 1.00 0.00 O ATOM 225 CB GLU A 15 -11.897 -5.203 -15.253 1.00 0.00 C ATOM 226 CG GLU A 15 -10.599 -5.967 -15.543 1.00 0.00 C ATOM 227 CD GLU A 15 -10.926 -7.325 -16.158 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.240 -8.234 -15.406 1.00 0.00 O ATOM 229 OE2 GLU A 15 -10.854 -7.437 -17.371 1.00 0.00 O ATOM 0 H GLU A 15 -11.069 -3.797 -17.097 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.513 -3.210 -14.707 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.364 -5.599 -14.351 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.603 -5.352 -16.070 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.971 -5.391 -16.223 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.032 -6.101 -14.622 1.00 0.00 H new ATOM 236 N GLN A 16 -9.247 -3.668 -14.513 1.00 0.00 N ATOM 237 CA GLN A 16 -8.079 -3.494 -13.644 1.00 0.00 C ATOM 238 C GLN A 16 -7.989 -2.050 -13.166 1.00 0.00 C ATOM 239 O GLN A 16 -7.889 -1.791 -11.967 1.00 0.00 O ATOM 240 CB GLN A 16 -6.790 -3.858 -14.389 1.00 0.00 C ATOM 241 CG GLN A 16 -6.684 -5.380 -14.521 1.00 0.00 C ATOM 242 CD GLN A 16 -5.865 -5.939 -13.362 1.00 0.00 C ATOM 243 OE1 GLN A 16 -6.381 -6.116 -12.258 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.605 -6.230 -13.546 1.00 0.00 N ATOM 0 H GLN A 16 -9.023 -3.922 -15.475 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.195 -4.157 -12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.786 -3.396 -15.376 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.925 -3.469 -13.852 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.679 -5.825 -14.524 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.215 -5.641 -15.470 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.176 -6.084 -14.460 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.050 -6.603 -12.776 1.00 0.00 H new ATOM 253 N LYS A 17 -8.047 -1.111 -14.118 1.00 0.00 N ATOM 254 CA LYS A 17 -7.991 0.311 -13.776 1.00 0.00 C ATOM 255 C LYS A 17 -9.138 0.671 -12.834 1.00 0.00 C ATOM 256 O LYS A 17 -8.972 1.481 -11.926 1.00 0.00 O ATOM 257 CB LYS A 17 -8.087 1.179 -15.034 1.00 0.00 C ATOM 258 CG LYS A 17 -6.785 1.075 -15.832 1.00 0.00 C ATOM 259 CD LYS A 17 -7.103 0.733 -17.289 1.00 0.00 C ATOM 260 CE LYS A 17 -7.245 2.024 -18.102 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.945 2.349 -18.757 1.00 0.00 N ATOM 0 H LYS A 17 -8.131 -1.307 -15.115 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.037 0.500 -13.285 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.928 0.856 -15.648 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.274 2.217 -14.758 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.238 2.017 -15.780 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.142 0.308 -15.400 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.311 0.113 -17.708 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.025 0.154 -17.344 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.024 1.907 -18.855 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.551 2.843 -17.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.044 3.225 -19.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.213 2.478 -18.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.671 1.571 -19.390 1.00 0.00 H new ATOM 275 N ASN A 18 -10.300 0.041 -13.054 1.00 0.00 N ATOM 276 CA ASN A 18 -11.472 0.285 -12.209 1.00 0.00 C ATOM 277 C ASN A 18 -11.212 -0.198 -10.778 1.00 0.00 C ATOM 278 O ASN A 18 -11.643 0.436 -9.813 1.00 0.00 O ATOM 279 CB ASN A 18 -12.699 -0.446 -12.767 1.00 0.00 C ATOM 280 CG ASN A 18 -13.683 0.573 -13.334 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.477 1.154 -12.595 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.678 0.829 -14.615 1.00 0.00 N ATOM 0 H ASN A 18 -10.451 -0.635 -13.803 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.662 1.358 -12.201 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.396 -1.147 -13.545 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.177 -1.030 -11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.332 1.510 -15.002 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.020 0.348 -15.229 1.00 0.00 H new ATOM 289 N GLU A 19 -10.494 -1.322 -10.656 1.00 0.00 N ATOM 290 CA GLU A 19 -10.167 -1.884 -9.341 1.00 0.00 C ATOM 291 C GLU A 19 -9.257 -0.934 -8.570 1.00 0.00 C ATOM 292 O GLU A 19 -9.557 -0.547 -7.441 1.00 0.00 O ATOM 293 CB GLU A 19 -9.450 -3.232 -9.484 1.00 0.00 C ATOM 294 CG GLU A 19 -10.397 -4.254 -10.115 1.00 0.00 C ATOM 295 CD GLU A 19 -10.962 -5.167 -9.032 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.985 -4.821 -8.466 1.00 0.00 O ATOM 297 OE2 GLU A 19 -10.364 -6.200 -8.782 1.00 0.00 O ATOM 0 H GLU A 19 -10.131 -1.856 -11.446 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.104 -2.026 -8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.559 -3.117 -10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.118 -3.584 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.208 -3.742 -10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.866 -4.844 -10.861 1.00 0.00 H new ATOM 304 N PHE A 20 -8.134 -0.572 -9.197 1.00 0.00 N ATOM 305 CA PHE A 20 -7.166 0.331 -8.568 1.00 0.00 C ATOM 306 C PHE A 20 -7.759 1.725 -8.361 1.00 0.00 C ATOM 307 O PHE A 20 -7.559 2.340 -7.315 1.00 0.00 O ATOM 308 CB PHE A 20 -5.905 0.457 -9.426 1.00 0.00 C ATOM 309 CG PHE A 20 -5.212 -0.880 -9.517 1.00 0.00 C ATOM 310 CD1 PHE A 20 -4.562 -1.414 -8.398 1.00 0.00 C ATOM 311 CD2 PHE A 20 -5.222 -1.586 -10.723 1.00 0.00 C ATOM 312 CE1 PHE A 20 -3.919 -2.652 -8.488 1.00 0.00 C ATOM 313 CE2 PHE A 20 -4.580 -2.823 -10.814 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.930 -3.358 -9.698 1.00 0.00 C ATOM 0 H PHE A 20 -7.874 -0.887 -10.132 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.911 -0.098 -7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.167 0.810 -10.424 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.232 1.197 -8.993 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.557 -0.870 -7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.726 -1.175 -11.585 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.415 -3.063 -7.626 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.586 -3.367 -11.747 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.436 -4.316 -9.769 1.00 0.00 H new ATOM 324 N LYS A 21 -8.483 2.220 -9.373 1.00 0.00 N ATOM 325 CA LYS A 21 -9.096 3.550 -9.293 1.00 0.00 C ATOM 326 C LYS A 21 -10.073 3.624 -8.120 1.00 0.00 C ATOM 327 O LYS A 21 -10.031 4.565 -7.330 1.00 0.00 O ATOM 328 CB LYS A 21 -9.838 3.891 -10.592 1.00 0.00 C ATOM 329 CG LYS A 21 -10.275 5.360 -10.572 1.00 0.00 C ATOM 330 CD LYS A 21 -9.050 6.260 -10.380 1.00 0.00 C ATOM 331 CE LYS A 21 -9.353 7.662 -10.917 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.128 8.233 -11.547 1.00 0.00 N ATOM 0 H LYS A 21 -8.657 1.725 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.295 4.273 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.191 3.706 -11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.709 3.245 -10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.781 5.612 -11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.990 5.526 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.787 6.313 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.191 5.838 -10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.161 7.616 -11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.692 8.307 -10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.336 9.185 -11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.369 8.291 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.824 7.622 -12.331 1.00 0.00 H new ATOM 346 N ALA A 22 -10.943 2.616 -8.012 1.00 0.00 N ATOM 347 CA ALA A 22 -11.916 2.576 -6.918 1.00 0.00 C ATOM 348 C ALA A 22 -11.195 2.414 -5.581 1.00 0.00 C ATOM 349 O ALA A 22 -11.505 3.105 -4.612 1.00 0.00 O ATOM 350 CB ALA A 22 -12.894 1.417 -7.105 1.00 0.00 C ATOM 0 H ALA A 22 -10.994 1.828 -8.658 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.472 3.514 -6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.608 1.406 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.429 1.541 -8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.344 0.476 -7.121 1.00 0.00 H new ATOM 356 N ALA A 23 -10.213 1.505 -5.552 1.00 0.00 N ATOM 357 CA ALA A 23 -9.426 1.263 -4.338 1.00 0.00 C ATOM 358 C ALA A 23 -8.653 2.522 -3.930 1.00 0.00 C ATOM 359 O ALA A 23 -8.302 2.698 -2.761 1.00 0.00 O ATOM 360 CB ALA A 23 -8.427 0.122 -4.565 1.00 0.00 C ATOM 0 H ALA A 23 -9.946 0.929 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.120 0.991 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.851 -0.044 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.967 -0.789 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.751 0.387 -5.378 1.00 0.00 H new ATOM 366 N PHE A 24 -8.394 3.396 -4.909 1.00 0.00 N ATOM 367 CA PHE A 24 -7.670 4.635 -4.655 1.00 0.00 C ATOM 368 C PHE A 24 -8.633 5.733 -4.199 1.00 0.00 C ATOM 369 O PHE A 24 -8.453 6.324 -3.136 1.00 0.00 O ATOM 370 CB PHE A 24 -6.952 5.093 -5.934 1.00 0.00 C ATOM 371 CG PHE A 24 -5.749 5.937 -5.587 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.522 5.325 -5.305 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.858 7.332 -5.554 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.406 6.107 -4.988 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.740 8.114 -5.238 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.516 7.502 -4.955 1.00 0.00 C ATOM 0 H PHE A 24 -8.676 3.264 -5.880 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.938 4.451 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.640 4.225 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.638 5.665 -6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.437 4.249 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.804 7.805 -5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.460 5.634 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.824 9.190 -5.213 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.654 8.106 -4.711 1.00 0.00 H new ATOM 386 N ASP A 25 -9.650 6.000 -5.027 1.00 0.00 N ATOM 387 CA ASP A 25 -10.638 7.046 -4.731 1.00 0.00 C ATOM 388 C ASP A 25 -11.301 6.867 -3.362 1.00 0.00 C ATOM 389 O ASP A 25 -11.553 7.853 -2.667 1.00 0.00 O ATOM 390 CB ASP A 25 -11.731 7.072 -5.805 1.00 0.00 C ATOM 391 CG ASP A 25 -11.281 7.945 -6.973 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.502 9.143 -6.912 1.00 0.00 O ATOM 393 OD2 ASP A 25 -10.722 7.402 -7.911 1.00 0.00 O ATOM 0 H ASP A 25 -9.811 5.508 -5.906 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.089 7.988 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.937 6.060 -6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.659 7.460 -5.385 1.00 0.00 H new ATOM 398 N ILE A 26 -11.590 5.617 -2.975 1.00 0.00 N ATOM 399 CA ILE A 26 -12.229 5.364 -1.675 1.00 0.00 C ATOM 400 C ILE A 26 -11.411 5.995 -0.543 1.00 0.00 C ATOM 401 O ILE A 26 -11.968 6.504 0.432 1.00 0.00 O ATOM 402 CB ILE A 26 -12.388 3.861 -1.410 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.029 3.159 -1.556 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.390 3.271 -2.407 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.184 1.662 -1.283 1.00 0.00 C ATOM 0 H ILE A 26 -11.397 4.782 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.220 5.817 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.757 3.709 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.635 3.315 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.310 3.592 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.504 2.203 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.354 3.765 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.026 3.424 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.217 1.171 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.558 1.514 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.888 1.233 -1.996 1.00 0.00 H new ATOM 417 N PHE A 27 -10.083 5.966 -0.695 1.00 0.00 N ATOM 418 CA PHE A 27 -9.188 6.547 0.306 1.00 0.00 C ATOM 419 C PHE A 27 -8.956 8.037 0.029 1.00 0.00 C ATOM 420 O PHE A 27 -8.744 8.821 0.957 1.00 0.00 O ATOM 421 CB PHE A 27 -7.839 5.824 0.304 1.00 0.00 C ATOM 422 CG PHE A 27 -7.882 4.665 1.277 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.363 3.417 0.861 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.442 4.841 2.595 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.402 2.346 1.761 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.482 3.770 3.495 1.00 0.00 C ATOM 427 CZ PHE A 27 -7.962 2.523 3.078 1.00 0.00 C ATOM 0 H PHE A 27 -9.609 5.549 -1.496 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.662 6.432 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.611 5.462 -0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.044 6.516 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.704 3.281 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.072 5.803 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.771 1.383 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.143 3.906 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.993 1.697 3.773 1.00 0.00 H new ATOM 437 N ILE A 28 -8.994 8.421 -1.256 1.00 0.00 N ATOM 438 CA ILE A 28 -8.783 9.824 -1.639 1.00 0.00 C ATOM 439 C ILE A 28 -10.122 10.568 -1.751 1.00 0.00 C ATOM 440 O ILE A 28 -10.292 11.447 -2.600 1.00 0.00 O ATOM 441 CB ILE A 28 -8.036 9.921 -2.986 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.882 8.911 -3.044 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.463 11.328 -3.168 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.159 8.833 -1.692 1.00 0.00 C ATOM 0 H ILE A 28 -9.166 7.789 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.178 10.288 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.749 9.701 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.267 7.927 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.177 9.202 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.938 11.386 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.274 12.056 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.768 11.546 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.345 8.111 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.756 9.813 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.862 8.519 -0.921 1.00 0.00 H new ATOM 456 N GLN A 29 -11.066 10.218 -0.873 1.00 0.00 N ATOM 457 CA GLN A 29 -12.379 10.873 -0.874 1.00 0.00 C ATOM 458 C GLN A 29 -12.244 12.329 -0.415 1.00 0.00 C ATOM 459 O GLN A 29 -12.982 13.205 -0.869 1.00 0.00 O ATOM 460 CB GLN A 29 -13.372 10.136 0.042 1.00 0.00 C ATOM 461 CG GLN A 29 -12.740 9.874 1.415 1.00 0.00 C ATOM 462 CD GLN A 29 -13.834 9.766 2.474 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.790 9.006 2.316 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.749 10.489 3.559 1.00 0.00 N ATOM 0 H GLN A 29 -10.950 9.496 -0.162 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.763 10.845 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.278 10.730 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.667 9.192 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.156 8.954 1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.053 10.681 1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.958 11.119 3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.474 10.423 4.274 1.00 0.00 H new ATOM 473 N ASP A 30 -11.280 12.574 0.480 1.00 0.00 N ATOM 474 CA ASP A 30 -11.033 13.923 0.989 1.00 0.00 C ATOM 475 C ASP A 30 -9.574 14.062 1.447 1.00 0.00 C ATOM 476 O ASP A 30 -9.290 14.633 2.505 1.00 0.00 O ATOM 477 CB ASP A 30 -11.975 14.234 2.161 1.00 0.00 C ATOM 478 CG ASP A 30 -12.311 15.723 2.166 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.175 16.120 1.403 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.697 16.445 2.934 1.00 0.00 O ATOM 0 H ASP A 30 -10.663 11.858 0.864 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.222 14.633 0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.888 13.645 2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.504 13.954 3.103 1.00 0.00 H new ATOM 485 N ALA A 31 -8.650 13.532 0.635 1.00 0.00 N ATOM 486 CA ALA A 31 -7.224 13.599 0.957 1.00 0.00 C ATOM 487 C ALA A 31 -6.704 15.030 0.810 1.00 0.00 C ATOM 488 O ALA A 31 -7.292 15.852 0.103 1.00 0.00 O ATOM 489 CB ALA A 31 -6.421 12.682 0.031 1.00 0.00 C ATOM 0 H ALA A 31 -8.864 13.057 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.101 13.273 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.363 12.745 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.763 11.654 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.565 12.993 -1.004 1.00 0.00 H new ATOM 495 N GLU A 32 -5.594 15.313 1.491 1.00 0.00 N ATOM 496 CA GLU A 32 -4.989 16.648 1.442 1.00 0.00 C ATOM 497 C GLU A 32 -4.212 16.842 0.140 1.00 0.00 C ATOM 498 O GLU A 32 -4.350 17.865 -0.532 1.00 0.00 O ATOM 499 CB GLU A 32 -4.042 16.854 2.629 1.00 0.00 C ATOM 500 CG GLU A 32 -4.832 16.766 3.939 1.00 0.00 C ATOM 501 CD GLU A 32 -3.867 16.745 5.120 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.397 15.671 5.457 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.613 17.803 5.672 1.00 0.00 O ATOM 0 H GLU A 32 -5.097 14.644 2.079 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.795 17.381 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.256 16.099 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.553 17.825 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.509 17.616 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.448 15.867 3.944 1.00 0.00 H new ATOM 510 N ASP A 33 -3.394 15.845 -0.206 1.00 0.00 N ATOM 511 CA ASP A 33 -2.593 15.905 -1.431 1.00 0.00 C ATOM 512 C ASP A 33 -3.270 15.126 -2.564 1.00 0.00 C ATOM 513 O ASP A 33 -3.248 15.553 -3.720 1.00 0.00 O ATOM 514 CB ASP A 33 -1.195 15.326 -1.185 1.00 0.00 C ATOM 515 CG ASP A 33 -0.283 15.667 -2.361 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.217 16.778 -2.396 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.097 14.811 -3.211 1.00 0.00 O ATOM 0 H ASP A 33 -3.269 14.993 0.340 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.506 16.952 -1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.781 15.731 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.255 14.245 -1.061 1.00 0.00 H new ATOM 522 N GLY A 34 -3.867 13.982 -2.218 1.00 0.00 N ATOM 523 CA GLY A 34 -4.549 13.145 -3.210 1.00 0.00 C ATOM 524 C GLY A 34 -3.889 11.770 -3.316 1.00 0.00 C ATOM 525 O GLY A 34 -3.709 11.239 -4.414 1.00 0.00 O ATOM 0 H GLY A 34 -3.892 13.616 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.597 13.029 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.529 13.638 -4.182 1.00 0.00 H new ATOM 529 N CYS A 35 -3.535 11.198 -2.161 1.00 0.00 N ATOM 530 CA CYS A 35 -2.894 9.881 -2.123 1.00 0.00 C ATOM 531 C CYS A 35 -3.120 9.216 -0.766 1.00 0.00 C ATOM 532 O CYS A 35 -3.637 9.835 0.168 1.00 0.00 O ATOM 533 CB CYS A 35 -1.383 9.992 -2.377 1.00 0.00 C ATOM 534 SG CYS A 35 -0.792 11.650 -1.944 1.00 0.00 S ATOM 0 H CYS A 35 -3.681 11.624 -1.245 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.344 9.276 -2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.852 9.244 -1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.167 9.784 -3.425 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.783 12.399 -3.007 1.00 0.00 H new ATOM 540 N ILE A 36 -2.717 7.947 -0.666 1.00 0.00 N ATOM 541 CA ILE A 36 -2.869 7.203 0.586 1.00 0.00 C ATOM 542 C ILE A 36 -1.531 7.152 1.325 1.00 0.00 C ATOM 543 O ILE A 36 -0.505 7.577 0.797 1.00 0.00 O ATOM 544 CB ILE A 36 -3.375 5.776 0.324 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.385 5.020 -0.566 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.737 5.833 -0.373 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.610 4.009 0.282 1.00 0.00 C ATOM 0 H ILE A 36 -2.288 7.419 -1.426 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.606 7.718 1.202 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.470 5.256 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.917 4.507 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.696 5.720 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.094 4.820 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.449 6.358 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.639 6.362 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.904 3.469 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.066 4.534 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.307 3.303 0.733 1.00 0.00 H new ATOM 559 N SER A 37 -1.551 6.633 2.552 1.00 0.00 N ATOM 560 CA SER A 37 -0.330 6.538 3.351 1.00 0.00 C ATOM 561 C SER A 37 0.326 5.170 3.182 1.00 0.00 C ATOM 562 O SER A 37 -0.354 4.143 3.132 1.00 0.00 O ATOM 563 CB SER A 37 -0.643 6.763 4.832 1.00 0.00 C ATOM 564 OG SER A 37 0.574 6.870 5.561 1.00 0.00 O ATOM 0 H SER A 37 -2.389 6.276 3.011 1.00 0.00 H new ATOM 0 HA SER A 37 0.357 7.309 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.235 7.670 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.240 5.937 5.219 1.00 0.00 H new ATOM 0 HG SER A 37 0.375 7.016 6.510 1.00 0.00 H new ATOM 570 N THR A 38 1.662 5.171 3.115 1.00 0.00 N ATOM 571 CA THR A 38 2.425 3.922 2.975 1.00 0.00 C ATOM 572 C THR A 38 2.030 2.939 4.083 1.00 0.00 C ATOM 573 O THR A 38 1.924 1.734 3.853 1.00 0.00 O ATOM 574 CB THR A 38 3.948 4.177 3.032 1.00 0.00 C ATOM 575 OG1 THR A 38 4.628 2.949 3.260 1.00 0.00 O ATOM 576 CG2 THR A 38 4.301 5.159 4.158 1.00 0.00 C ATOM 0 H THR A 38 2.235 6.014 3.155 1.00 0.00 H new ATOM 0 HA THR A 38 2.187 3.496 2.000 1.00 0.00 H new ATOM 0 HB THR A 38 4.256 4.609 2.080 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.564 3.037 2.984 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.379 5.320 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.795 6.109 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.980 4.746 5.115 1.00 0.00 H new ATOM 584 N LYS A 39 1.800 3.475 5.285 1.00 0.00 N ATOM 585 CA LYS A 39 1.402 2.652 6.428 1.00 0.00 C ATOM 586 C LYS A 39 0.018 2.037 6.205 1.00 0.00 C ATOM 587 O LYS A 39 -0.251 0.912 6.632 1.00 0.00 O ATOM 588 CB LYS A 39 1.366 3.503 7.702 1.00 0.00 C ATOM 589 CG LYS A 39 2.691 3.358 8.446 1.00 0.00 C ATOM 590 CD LYS A 39 2.882 1.894 8.837 1.00 0.00 C ATOM 591 CE LYS A 39 3.502 1.810 10.236 1.00 0.00 C ATOM 592 NZ LYS A 39 3.149 0.504 10.863 1.00 0.00 N ATOM 0 H LYS A 39 1.882 4.471 5.490 1.00 0.00 H new ATOM 0 HA LYS A 39 2.135 1.852 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.191 4.549 7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.541 3.187 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.516 3.690 7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.695 3.989 9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.923 1.375 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.526 1.395 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.585 1.913 10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.140 2.631 10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.571 0.449 11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.115 0.423 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.515 -0.273 10.276 1.00 0.00 H new ATOM 606 N GLU A 40 -0.853 2.796 5.538 1.00 0.00 N ATOM 607 CA GLU A 40 -2.220 2.341 5.259 1.00 0.00 C ATOM 608 C GLU A 40 -2.302 1.477 3.987 1.00 0.00 C ATOM 609 O GLU A 40 -3.401 1.159 3.526 1.00 0.00 O ATOM 610 CB GLU A 40 -3.154 3.545 5.096 1.00 0.00 C ATOM 611 CG GLU A 40 -3.520 4.101 6.473 1.00 0.00 C ATOM 612 CD GLU A 40 -4.292 5.406 6.304 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.503 5.342 6.162 1.00 0.00 O ATOM 614 OE2 GLU A 40 -3.661 6.451 6.319 1.00 0.00 O ATOM 0 H GLU A 40 -0.639 3.727 5.181 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.527 1.730 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.668 4.317 4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.056 3.248 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.123 3.377 7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.618 4.273 7.060 1.00 0.00 H new ATOM 621 N LEU A 41 -1.147 1.093 3.425 1.00 0.00 N ATOM 622 CA LEU A 41 -1.136 0.259 2.218 1.00 0.00 C ATOM 623 C LEU A 41 -1.834 -1.080 2.479 1.00 0.00 C ATOM 624 O LEU A 41 -2.593 -1.567 1.644 1.00 0.00 O ATOM 625 CB LEU A 41 0.301 -0.007 1.758 1.00 0.00 C ATOM 626 CG LEU A 41 0.469 -0.316 0.266 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.136 -1.687 -0.052 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.233 0.761 -0.569 1.00 0.00 C ATOM 0 H LEU A 41 -0.224 1.342 3.780 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.671 0.799 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.909 0.864 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.699 -0.844 2.332 1.00 0.00 H new ATOM 0 HG LEU A 41 1.531 -0.326 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.014 -1.901 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.372 -2.453 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.197 -1.683 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.111 0.537 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.294 0.779 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.206 1.734 -0.351 1.00 0.00 H new ATOM 640 N GLY A 42 -1.581 -1.663 3.654 1.00 0.00 N ATOM 641 CA GLY A 42 -2.207 -2.940 4.016 1.00 0.00 C ATOM 642 C GLY A 42 -3.737 -2.824 4.075 1.00 0.00 C ATOM 643 O GLY A 42 -4.444 -3.832 4.025 1.00 0.00 O ATOM 0 H GLY A 42 -0.956 -1.279 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.927 -3.702 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.829 -3.269 4.984 1.00 0.00 H new ATOM 647 N LYS A 43 -4.239 -1.585 4.184 1.00 0.00 N ATOM 648 CA LYS A 43 -5.680 -1.348 4.250 1.00 0.00 C ATOM 649 C LYS A 43 -6.299 -1.321 2.849 1.00 0.00 C ATOM 650 O LYS A 43 -7.374 -1.881 2.628 1.00 0.00 O ATOM 651 CB LYS A 43 -5.963 -0.015 4.948 1.00 0.00 C ATOM 652 CG LYS A 43 -7.375 -0.029 5.534 1.00 0.00 C ATOM 653 CD LYS A 43 -7.348 -0.659 6.929 1.00 0.00 C ATOM 654 CE LYS A 43 -8.468 -0.060 7.783 1.00 0.00 C ATOM 655 NZ LYS A 43 -8.323 -0.520 9.193 1.00 0.00 N ATOM 0 H LYS A 43 -3.669 -0.740 4.228 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.126 -2.165 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.232 0.155 5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.861 0.807 4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.766 0.987 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.044 -0.592 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.472 -1.739 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.382 -0.481 7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.430 1.028 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.439 -0.361 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.085 -0.112 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.380 -1.558 9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.402 -0.212 9.566 1.00 0.00 H new ATOM 669 N VAL A 44 -5.613 -0.663 1.906 1.00 0.00 N ATOM 670 CA VAL A 44 -6.115 -0.573 0.529 1.00 0.00 C ATOM 671 C VAL A 44 -6.110 -1.952 -0.140 1.00 0.00 C ATOM 672 O VAL A 44 -6.995 -2.263 -0.938 1.00 0.00 O ATOM 673 CB VAL A 44 -5.285 0.412 -0.313 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.514 1.839 0.188 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.795 0.080 -0.211 1.00 0.00 C ATOM 0 H VAL A 44 -4.723 -0.192 2.067 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.138 -0.202 0.582 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.600 0.328 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.925 2.534 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.571 2.090 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.210 1.911 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.223 0.786 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.477 0.149 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.622 -0.932 -0.577 1.00 0.00 H new ATOM 685 N MET A 45 -5.113 -2.779 0.206 1.00 0.00 N ATOM 686 CA MET A 45 -5.015 -4.130 -0.357 1.00 0.00 C ATOM 687 C MET A 45 -6.211 -4.978 0.075 1.00 0.00 C ATOM 688 O MET A 45 -6.692 -5.819 -0.684 1.00 0.00 O ATOM 689 CB MET A 45 -3.727 -4.836 0.097 1.00 0.00 C ATOM 690 CG MET A 45 -2.508 -3.937 -0.144 1.00 0.00 C ATOM 691 SD MET A 45 -1.752 -4.355 -1.733 1.00 0.00 S ATOM 692 CE MET A 45 -3.093 -3.729 -2.771 1.00 0.00 C ATOM 0 H MET A 45 -4.372 -2.539 0.865 1.00 0.00 H new ATOM 0 HA MET A 45 -5.002 -4.025 -1.442 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.797 -5.088 1.155 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.608 -5.773 -0.447 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.809 -2.889 -0.137 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.784 -4.066 0.660 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.681 -3.335 -3.700 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.787 -4.539 -2.996 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.621 -2.935 -2.243 1.00 0.00 H new ATOM 702 N ARG A 46 -6.688 -4.739 1.300 1.00 0.00 N ATOM 703 CA ARG A 46 -7.838 -5.479 1.831 1.00 0.00 C ATOM 704 C ARG A 46 -9.073 -5.253 0.955 1.00 0.00 C ATOM 705 O ARG A 46 -9.836 -6.183 0.690 1.00 0.00 O ATOM 706 CB ARG A 46 -8.151 -5.032 3.263 1.00 0.00 C ATOM 707 CG ARG A 46 -7.455 -5.965 4.260 1.00 0.00 C ATOM 708 CD ARG A 46 -8.483 -6.923 4.867 1.00 0.00 C ATOM 709 NE ARG A 46 -8.862 -7.962 3.904 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.934 -8.742 4.095 1.00 0.00 C ATOM 711 NH1 ARG A 46 -10.680 -8.610 5.170 1.00 0.00 N ATOM 712 NH2 ARG A 46 -10.241 -9.649 3.202 1.00 0.00 N ATOM 0 H ARG A 46 -6.300 -4.045 1.939 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.583 -6.539 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.816 -4.006 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.228 -5.043 3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.669 -6.529 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.977 -5.382 5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.070 -7.386 5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.368 -6.366 5.174 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.294 -8.094 3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.445 -7.907 5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.494 -9.211 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.665 -9.758 2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.056 -10.246 3.341 1.00 0.00 H new ATOM 726 N MET A 47 -9.251 -4.006 0.507 1.00 0.00 N ATOM 727 CA MET A 47 -10.390 -3.660 -0.349 1.00 0.00 C ATOM 728 C MET A 47 -10.183 -4.196 -1.767 1.00 0.00 C ATOM 729 O MET A 47 -11.133 -4.636 -2.419 1.00 0.00 O ATOM 730 CB MET A 47 -10.570 -2.140 -0.415 1.00 0.00 C ATOM 731 CG MET A 47 -11.441 -1.673 0.753 1.00 0.00 C ATOM 732 SD MET A 47 -10.383 -1.132 2.119 1.00 0.00 S ATOM 733 CE MET A 47 -11.421 -1.746 3.468 1.00 0.00 C ATOM 0 H MET A 47 -8.628 -3.227 0.720 1.00 0.00 H new ATOM 0 HA MET A 47 -11.281 -4.115 0.084 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.599 -1.647 -0.377 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.033 -1.860 -1.361 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.087 -0.855 0.434 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.091 -2.484 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.950 -1.516 4.423 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.399 -1.267 3.421 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.540 -2.825 3.373 1.00 0.00 H new ATOM 743 N LEU A 48 -8.931 -4.152 -2.237 1.00 0.00 N ATOM 744 CA LEU A 48 -8.598 -4.633 -3.581 1.00 0.00 C ATOM 745 C LEU A 48 -8.828 -6.144 -3.693 1.00 0.00 C ATOM 746 O LEU A 48 -9.439 -6.619 -4.653 1.00 0.00 O ATOM 747 CB LEU A 48 -7.134 -4.324 -3.905 1.00 0.00 C ATOM 748 CG LEU A 48 -6.819 -4.100 -5.387 1.00 0.00 C ATOM 749 CD1 LEU A 48 -7.427 -2.774 -5.851 1.00 0.00 C ATOM 750 CD2 LEU A 48 -5.301 -4.060 -5.576 1.00 0.00 C ATOM 0 H LEU A 48 -8.136 -3.790 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.248 -4.121 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.837 -3.434 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.518 -5.146 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.243 -4.913 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.200 -2.619 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.508 -2.801 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.006 -1.956 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.070 -3.901 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.882 -3.245 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.869 -5.005 -5.248 1.00 0.00 H new ATOM 762 N GLY A 49 -8.328 -6.889 -2.702 1.00 0.00 N ATOM 763 CA GLY A 49 -8.480 -8.347 -2.689 1.00 0.00 C ATOM 764 C GLY A 49 -7.167 -9.029 -2.305 1.00 0.00 C ATOM 765 O GLY A 49 -6.701 -9.938 -2.997 1.00 0.00 O ATOM 0 H GLY A 49 -7.818 -6.510 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.261 -8.629 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.800 -8.692 -3.672 1.00 0.00 H new ATOM 769 N GLN A 50 -6.579 -8.582 -1.191 1.00 0.00 N ATOM 770 CA GLN A 50 -5.317 -9.147 -0.708 1.00 0.00 C ATOM 771 C GLN A 50 -5.170 -8.914 0.797 1.00 0.00 C ATOM 772 O GLN A 50 -5.775 -7.998 1.358 1.00 0.00 O ATOM 773 CB GLN A 50 -4.125 -8.505 -1.428 1.00 0.00 C ATOM 774 CG GLN A 50 -3.652 -9.423 -2.559 1.00 0.00 C ATOM 775 CD GLN A 50 -2.181 -9.143 -2.862 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.292 -9.704 -2.222 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.870 -8.301 -3.812 1.00 0.00 N ATOM 0 H GLN A 50 -6.956 -7.834 -0.609 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.330 -10.217 -0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.411 -7.533 -1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.312 -8.331 -0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.783 -10.467 -2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.256 -9.259 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.607 -7.836 -4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.891 -8.109 -4.023 1.00 0.00 H new ATOM 786 N ASN A 51 -4.356 -9.752 1.441 1.00 0.00 N ATOM 787 CA ASN A 51 -4.134 -9.626 2.883 1.00 0.00 C ATOM 788 C ASN A 51 -2.695 -10.010 3.248 1.00 0.00 C ATOM 789 O ASN A 51 -2.439 -11.106 3.755 1.00 0.00 O ATOM 790 CB ASN A 51 -5.118 -10.516 3.655 1.00 0.00 C ATOM 791 CG ASN A 51 -5.402 -9.899 5.022 1.00 0.00 C ATOM 792 OD1 ASN A 51 -6.447 -9.283 5.225 1.00 0.00 O ATOM 793 ND2 ASN A 51 -4.525 -10.031 5.983 1.00 0.00 N ATOM 0 H ASN A 51 -3.846 -10.515 0.995 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.300 -8.585 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.046 -10.622 3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.702 -11.516 3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.708 -9.623 6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.658 -10.542 5.816 1.00 0.00 H new ATOM 800 N PRO A 52 -1.742 -9.104 2.998 1.00 0.00 N ATOM 801 CA PRO A 52 -0.318 -9.341 3.309 1.00 0.00 C ATOM 802 C PRO A 52 0.023 -9.028 4.769 1.00 0.00 C ATOM 803 O PRO A 52 -0.867 -8.837 5.603 1.00 0.00 O ATOM 804 CB PRO A 52 0.381 -8.360 2.374 1.00 0.00 C ATOM 805 CG PRO A 52 -0.618 -7.252 2.063 1.00 0.00 C ATOM 806 CD PRO A 52 -2.018 -7.787 2.386 1.00 0.00 C ATOM 0 HA PRO A 52 -0.025 -10.382 3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.276 -7.952 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.700 -8.860 1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.401 -6.363 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.552 -6.960 1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.553 -7.129 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.631 -7.880 1.489 1.00 0.00 H new ATOM 814 N THR A 53 1.323 -8.964 5.060 1.00 0.00 N ATOM 815 CA THR A 53 1.790 -8.657 6.413 1.00 0.00 C ATOM 816 C THR A 53 2.291 -7.213 6.458 1.00 0.00 C ATOM 817 O THR A 53 2.446 -6.576 5.415 1.00 0.00 O ATOM 818 CB THR A 53 2.930 -9.607 6.825 1.00 0.00 C ATOM 819 OG1 THR A 53 4.150 -9.178 6.235 1.00 0.00 O ATOM 820 CG2 THR A 53 2.617 -11.028 6.359 1.00 0.00 C ATOM 0 H THR A 53 2.068 -9.120 4.381 1.00 0.00 H new ATOM 0 HA THR A 53 0.960 -8.787 7.108 1.00 0.00 H new ATOM 0 HB THR A 53 3.025 -9.594 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.759 -9.941 6.151 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.428 -11.694 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.686 -11.364 6.816 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.513 -11.041 5.274 1.00 0.00 H new ATOM 828 N PRO A 54 2.568 -6.681 7.654 1.00 0.00 N ATOM 829 CA PRO A 54 3.070 -5.299 7.790 1.00 0.00 C ATOM 830 C PRO A 54 4.508 -5.147 7.295 1.00 0.00 C ATOM 831 O PRO A 54 4.898 -4.082 6.816 1.00 0.00 O ATOM 832 CB PRO A 54 2.958 -5.051 9.289 1.00 0.00 C ATOM 833 CG PRO A 54 2.955 -6.415 9.961 1.00 0.00 C ATOM 834 CD PRO A 54 2.418 -7.412 8.932 1.00 0.00 C ATOM 0 HA PRO A 54 2.510 -4.584 7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.793 -4.447 9.644 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.045 -4.503 9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.960 -6.691 10.280 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.329 -6.405 10.853 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.987 -8.342 8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.378 -7.674 9.128 1.00 0.00 H new ATOM 842 N GLU A 55 5.283 -6.232 7.395 1.00 0.00 N ATOM 843 CA GLU A 55 6.672 -6.214 6.928 1.00 0.00 C ATOM 844 C GLU A 55 6.731 -6.482 5.419 1.00 0.00 C ATOM 845 O GLU A 55 7.617 -5.983 4.723 1.00 0.00 O ATOM 846 CB GLU A 55 7.516 -7.264 7.665 1.00 0.00 C ATOM 847 CG GLU A 55 6.894 -8.657 7.508 1.00 0.00 C ATOM 848 CD GLU A 55 7.856 -9.712 8.046 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.791 -9.997 9.232 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.643 -10.222 7.266 1.00 0.00 O ATOM 0 H GLU A 55 4.977 -7.122 7.789 1.00 0.00 H new ATOM 0 HA GLU A 55 7.080 -5.225 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.532 -7.266 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.586 -7.007 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.947 -8.706 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.675 -8.852 6.458 1.00 0.00 H new ATOM 857 N GLU A 56 5.773 -7.279 4.929 1.00 0.00 N ATOM 858 CA GLU A 56 5.712 -7.619 3.506 1.00 0.00 C ATOM 859 C GLU A 56 5.262 -6.414 2.676 1.00 0.00 C ATOM 860 O GLU A 56 5.946 -6.018 1.730 1.00 0.00 O ATOM 861 CB GLU A 56 4.736 -8.779 3.278 1.00 0.00 C ATOM 862 CG GLU A 56 4.956 -9.377 1.885 1.00 0.00 C ATOM 863 CD GLU A 56 3.620 -9.848 1.318 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.213 -10.950 1.649 1.00 0.00 O ATOM 865 OE2 GLU A 56 3.022 -9.098 0.563 1.00 0.00 O ATOM 0 H GLU A 56 5.035 -7.697 5.495 1.00 0.00 H new ATOM 0 HA GLU A 56 6.712 -7.915 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.883 -9.545 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.709 -8.426 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.402 -8.633 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.654 -10.212 1.942 1.00 0.00 H new ATOM 872 N LEU A 57 4.106 -5.838 3.034 1.00 0.00 N ATOM 873 CA LEU A 57 3.581 -4.681 2.304 1.00 0.00 C ATOM 874 C LEU A 57 4.550 -3.498 2.366 1.00 0.00 C ATOM 875 O LEU A 57 4.666 -2.737 1.404 1.00 0.00 O ATOM 876 CB LEU A 57 2.218 -4.251 2.863 1.00 0.00 C ATOM 877 CG LEU A 57 2.211 -3.781 4.325 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.370 -2.260 4.385 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.883 -4.174 4.976 1.00 0.00 C ATOM 0 H LEU A 57 3.526 -6.150 3.813 1.00 0.00 H new ATOM 0 HA LEU A 57 3.462 -4.985 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.830 -3.445 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.527 -5.089 2.768 1.00 0.00 H new ATOM 0 HG LEU A 57 3.039 -4.251 4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.364 -1.934 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.314 -1.974 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.545 -1.787 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.874 -3.842 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.060 -3.703 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.767 -5.257 4.941 1.00 0.00 H new ATOM 891 N GLN A 58 5.241 -3.349 3.504 1.00 0.00 N ATOM 892 CA GLN A 58 6.195 -2.248 3.681 1.00 0.00 C ATOM 893 C GLN A 58 7.249 -2.248 2.572 1.00 0.00 C ATOM 894 O GLN A 58 7.493 -1.220 1.938 1.00 0.00 O ATOM 895 CB GLN A 58 6.899 -2.347 5.040 1.00 0.00 C ATOM 896 CG GLN A 58 7.579 -1.013 5.371 1.00 0.00 C ATOM 897 CD GLN A 58 6.519 0.051 5.646 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.099 0.237 6.789 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.055 0.770 4.657 1.00 0.00 N ATOM 0 H GLN A 58 5.158 -3.971 4.308 1.00 0.00 H new ATOM 0 HA GLN A 58 5.627 -1.319 3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.177 -2.600 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.639 -3.147 5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.225 -1.129 6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.214 -0.702 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.401 0.618 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.347 1.483 4.833 1.00 0.00 H new ATOM 908 N GLU A 59 7.865 -3.413 2.344 1.00 0.00 N ATOM 909 CA GLU A 59 8.891 -3.539 1.303 1.00 0.00 C ATOM 910 C GLU A 59 8.308 -3.229 -0.076 1.00 0.00 C ATOM 911 O GLU A 59 8.965 -2.605 -0.908 1.00 0.00 O ATOM 912 CB GLU A 59 9.480 -4.955 1.290 1.00 0.00 C ATOM 913 CG GLU A 59 10.407 -5.141 2.496 1.00 0.00 C ATOM 914 CD GLU A 59 11.799 -4.610 2.160 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.035 -3.434 2.389 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.608 -5.386 1.679 1.00 0.00 O ATOM 0 H GLU A 59 7.674 -4.272 2.859 1.00 0.00 H new ATOM 0 HA GLU A 59 9.679 -2.821 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.678 -5.693 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.033 -5.121 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.005 -4.614 3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.464 -6.196 2.764 1.00 0.00 H new ATOM 923 N MET A 60 7.064 -3.667 -0.304 1.00 0.00 N ATOM 924 CA MET A 60 6.396 -3.426 -1.586 1.00 0.00 C ATOM 925 C MET A 60 6.182 -1.930 -1.813 1.00 0.00 C ATOM 926 O MET A 60 6.418 -1.423 -2.909 1.00 0.00 O ATOM 927 CB MET A 60 5.038 -4.137 -1.633 1.00 0.00 C ATOM 928 CG MET A 60 5.250 -5.651 -1.695 1.00 0.00 C ATOM 929 SD MET A 60 3.670 -6.492 -1.426 1.00 0.00 S ATOM 930 CE MET A 60 3.981 -7.912 -2.505 1.00 0.00 C ATOM 0 H MET A 60 6.506 -4.184 0.375 1.00 0.00 H new ATOM 0 HA MET A 60 7.039 -3.822 -2.372 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.451 -3.878 -0.752 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.472 -3.803 -2.503 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.664 -5.932 -2.664 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.972 -5.959 -0.939 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.117 -8.576 -2.490 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.154 -7.564 -3.523 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.860 -8.452 -2.152 1.00 0.00 H new ATOM 940 N ILE A 61 5.731 -1.231 -0.764 1.00 0.00 N ATOM 941 CA ILE A 61 5.485 0.210 -0.853 1.00 0.00 C ATOM 942 C ILE A 61 6.747 0.949 -1.296 1.00 0.00 C ATOM 943 O ILE A 61 6.816 1.452 -2.414 1.00 0.00 O ATOM 944 CB ILE A 61 5.036 0.759 0.501 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.670 0.177 0.859 1.00 0.00 C ATOM 946 CG2 ILE A 61 4.949 2.284 0.432 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.612 -0.089 2.363 1.00 0.00 C ATOM 0 H ILE A 61 5.531 -1.638 0.149 1.00 0.00 H new ATOM 0 HA ILE A 61 4.698 0.369 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 61 5.759 0.476 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.880 0.870 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.500 -0.748 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.629 2.674 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.928 2.693 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.228 2.573 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.638 -0.504 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.393 -0.798 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.763 0.845 2.904 1.00 0.00 H new ATOM 959 N ASP A 62 7.736 1.017 -0.398 1.00 0.00 N ATOM 960 CA ASP A 62 9.000 1.704 -0.694 1.00 0.00 C ATOM 961 C ASP A 62 9.544 1.314 -2.075 1.00 0.00 C ATOM 962 O ASP A 62 10.111 2.148 -2.782 1.00 0.00 O ATOM 963 CB ASP A 62 10.055 1.368 0.367 1.00 0.00 C ATOM 964 CG ASP A 62 11.132 2.451 0.380 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.917 3.464 1.024 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.152 2.251 -0.256 1.00 0.00 O ATOM 0 H ASP A 62 7.687 0.608 0.535 1.00 0.00 H new ATOM 0 HA ASP A 62 8.793 2.774 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.587 1.294 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.503 0.398 0.154 1.00 0.00 H new ATOM 971 N GLU A 63 9.363 0.040 -2.451 1.00 0.00 N ATOM 972 CA GLU A 63 9.840 -0.445 -3.751 1.00 0.00 C ATOM 973 C GLU A 63 9.132 0.274 -4.904 1.00 0.00 C ATOM 974 O GLU A 63 9.776 0.713 -5.860 1.00 0.00 O ATOM 975 CB GLU A 63 9.604 -1.953 -3.887 1.00 0.00 C ATOM 976 CG GLU A 63 10.757 -2.717 -3.228 1.00 0.00 C ATOM 977 CD GLU A 63 11.765 -3.149 -4.290 1.00 0.00 C ATOM 978 OE1 GLU A 63 12.449 -2.286 -4.817 1.00 0.00 O ATOM 979 OE2 GLU A 63 11.838 -4.336 -4.560 1.00 0.00 O ATOM 0 H GLU A 63 8.896 -0.665 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 63 10.909 -0.236 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.659 -2.227 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.529 -2.226 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.245 -2.087 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.373 -3.591 -2.702 1.00 0.00 H new ATOM 986 N VAL A 64 7.802 0.387 -4.808 1.00 0.00 N ATOM 987 CA VAL A 64 7.017 1.053 -5.859 1.00 0.00 C ATOM 988 C VAL A 64 7.024 2.577 -5.695 1.00 0.00 C ATOM 989 O VAL A 64 6.793 3.303 -6.664 1.00 0.00 O ATOM 990 CB VAL A 64 5.560 0.570 -5.866 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.520 -0.949 -6.021 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.865 0.970 -4.558 1.00 0.00 C ATOM 0 H VAL A 64 7.251 0.032 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 64 7.493 0.791 -6.804 1.00 0.00 H new ATOM 0 HB VAL A 64 5.039 1.034 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.484 -1.287 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.998 -1.232 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.050 -1.414 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.832 0.622 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.387 0.517 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.881 2.055 -4.454 1.00 0.00 H new ATOM 1002 N ASP A 65 7.276 3.052 -4.465 1.00 0.00 N ATOM 1003 CA ASP A 65 7.294 4.490 -4.193 1.00 0.00 C ATOM 1004 C ASP A 65 8.233 5.199 -5.164 1.00 0.00 C ATOM 1005 O ASP A 65 9.458 5.089 -5.065 1.00 0.00 O ATOM 1006 CB ASP A 65 7.739 4.763 -2.750 1.00 0.00 C ATOM 1007 CG ASP A 65 6.907 5.902 -2.160 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.906 6.979 -2.737 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.277 5.678 -1.138 1.00 0.00 O ATOM 0 H ASP A 65 7.468 2.465 -3.653 1.00 0.00 H new ATOM 0 HA ASP A 65 6.283 4.875 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.621 3.863 -2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.797 5.024 -2.729 1.00 0.00 H new ATOM 1014 N GLU A 66 7.627 5.905 -6.122 1.00 0.00 N ATOM 1015 CA GLU A 66 8.384 6.627 -7.156 1.00 0.00 C ATOM 1016 C GLU A 66 9.532 7.447 -6.562 1.00 0.00 C ATOM 1017 O GLU A 66 10.653 7.415 -7.073 1.00 0.00 O ATOM 1018 CB GLU A 66 7.459 7.567 -7.937 1.00 0.00 C ATOM 1019 CG GLU A 66 6.682 6.772 -8.992 1.00 0.00 C ATOM 1020 CD GLU A 66 7.486 6.721 -10.289 1.00 0.00 C ATOM 1021 OE1 GLU A 66 8.321 5.840 -10.412 1.00 0.00 O ATOM 1022 OE2 GLU A 66 7.255 7.565 -11.140 1.00 0.00 O ATOM 0 H GLU A 66 6.614 5.994 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 66 8.805 5.874 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.765 8.059 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.044 8.351 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.489 5.761 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.712 7.237 -9.171 1.00 0.00 H new ATOM 1029 N ASP A 67 9.241 8.192 -5.493 1.00 0.00 N ATOM 1030 CA ASP A 67 10.263 9.031 -4.858 1.00 0.00 C ATOM 1031 C ASP A 67 10.563 8.588 -3.417 1.00 0.00 C ATOM 1032 O ASP A 67 11.660 8.827 -2.909 1.00 0.00 O ATOM 1033 CB ASP A 67 9.811 10.499 -4.855 1.00 0.00 C ATOM 1034 CG ASP A 67 8.758 10.730 -3.770 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.648 10.241 -3.926 1.00 0.00 O ATOM 1036 OD2 ASP A 67 9.079 11.393 -2.799 1.00 0.00 O ATOM 0 H ASP A 67 8.321 8.233 -5.054 1.00 0.00 H new ATOM 0 HA ASP A 67 11.178 8.921 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.668 11.150 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.401 10.762 -5.830 1.00 0.00 H new ATOM 1041 N GLY A 68 9.578 7.965 -2.758 1.00 0.00 N ATOM 1042 CA GLY A 68 9.753 7.524 -1.370 1.00 0.00 C ATOM 1043 C GLY A 68 9.433 8.668 -0.408 1.00 0.00 C ATOM 1044 O GLY A 68 10.210 8.972 0.497 1.00 0.00 O ATOM 0 H GLY A 68 8.663 7.757 -3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.101 6.674 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.777 7.185 -1.215 1.00 0.00 H new ATOM 1048 N SER A 69 8.278 9.306 -0.631 1.00 0.00 N ATOM 1049 CA SER A 69 7.847 10.434 0.198 1.00 0.00 C ATOM 1050 C SER A 69 7.138 9.960 1.467 1.00 0.00 C ATOM 1051 O SER A 69 7.393 10.468 2.561 1.00 0.00 O ATOM 1052 CB SER A 69 6.887 11.331 -0.590 1.00 0.00 C ATOM 1053 OG SER A 69 5.953 10.522 -1.300 1.00 0.00 O ATOM 0 H SER A 69 7.628 9.060 -1.377 1.00 0.00 H new ATOM 0 HA SER A 69 8.741 10.990 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.360 12.002 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.446 11.956 -1.287 1.00 0.00 H new ATOM 0 HG SER A 69 6.310 10.314 -2.189 1.00 0.00 H new ATOM 1059 N GLY A 70 6.228 9.000 1.302 1.00 0.00 N ATOM 1060 CA GLY A 70 5.458 8.472 2.424 1.00 0.00 C ATOM 1061 C GLY A 70 4.034 8.146 1.978 1.00 0.00 C ATOM 1062 O GLY A 70 3.380 7.270 2.540 1.00 0.00 O ATOM 0 H GLY A 70 6.007 8.573 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.939 7.575 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.435 9.201 3.234 1.00 0.00 H new ATOM 1066 N THR A 71 3.563 8.858 0.947 1.00 0.00 N ATOM 1067 CA THR A 71 2.220 8.626 0.420 1.00 0.00 C ATOM 1068 C THR A 71 2.303 7.876 -0.905 1.00 0.00 C ATOM 1069 O THR A 71 3.271 8.020 -1.656 1.00 0.00 O ATOM 1070 CB THR A 71 1.474 9.948 0.196 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.102 10.689 -0.847 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.480 10.767 1.487 1.00 0.00 C ATOM 0 H THR A 71 4.087 9.590 0.468 1.00 0.00 H new ATOM 0 HA THR A 71 1.674 8.033 1.154 1.00 0.00 H new ATOM 0 HB THR A 71 0.444 9.733 -0.090 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.418 11.128 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.950 11.705 1.325 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.986 10.203 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.509 10.978 1.780 1.00 0.00 H new ATOM 1080 N VAL A 72 1.276 7.076 -1.183 1.00 0.00 N ATOM 1081 CA VAL A 72 1.240 6.307 -2.422 1.00 0.00 C ATOM 1082 C VAL A 72 0.280 6.944 -3.418 1.00 0.00 C ATOM 1083 O VAL A 72 -0.927 7.023 -3.182 1.00 0.00 O ATOM 1084 CB VAL A 72 0.807 4.861 -2.155 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.544 4.134 -3.483 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.917 4.131 -1.391 1.00 0.00 C ATOM 0 H VAL A 72 0.468 6.945 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 72 2.246 6.305 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.109 4.868 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.237 3.108 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.247 4.649 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.455 4.129 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.611 3.102 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.830 4.134 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.100 4.637 -0.443 1.00 0.00 H new ATOM 1096 N ASP A 73 0.838 7.375 -4.546 1.00 0.00 N ATOM 1097 CA ASP A 73 0.037 7.982 -5.601 1.00 0.00 C ATOM 1098 C ASP A 73 -0.533 6.877 -6.486 1.00 0.00 C ATOM 1099 O ASP A 73 -0.182 5.705 -6.335 1.00 0.00 O ATOM 1100 CB ASP A 73 0.891 8.929 -6.453 1.00 0.00 C ATOM 1101 CG ASP A 73 1.603 9.933 -5.549 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.993 10.936 -5.211 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.749 9.685 -5.206 1.00 0.00 O ATOM 0 H ASP A 73 1.835 7.315 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.770 8.558 -5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.622 8.359 -7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.262 9.454 -7.172 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.425 7.251 -7.398 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.050 6.269 -8.287 1.00 0.00 C ATOM 1110 C PHE A 74 -1.014 5.521 -9.139 1.00 0.00 C ATOM 1111 O PHE A 74 -1.229 4.368 -9.514 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.063 6.954 -9.212 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.012 5.929 -9.789 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.442 4.847 -9.012 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.468 6.071 -11.103 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.325 3.906 -9.551 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.351 5.130 -11.643 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.781 4.047 -10.866 1.00 0.00 C ATOM 0 H PHE A 74 -1.731 8.213 -7.543 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.558 5.543 -7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.622 7.708 -8.658 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.541 7.472 -10.017 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.092 4.739 -7.996 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.138 6.908 -11.701 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.655 3.070 -8.952 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.701 5.239 -12.659 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.464 3.321 -11.282 1.00 0.00 H new ATOM 1128 N ASP A 75 0.105 6.185 -9.442 1.00 0.00 N ATOM 1129 CA ASP A 75 1.159 5.571 -10.257 1.00 0.00 C ATOM 1130 C ASP A 75 1.815 4.404 -9.520 1.00 0.00 C ATOM 1131 O ASP A 75 1.832 3.278 -10.020 1.00 0.00 O ATOM 1132 CB ASP A 75 2.231 6.605 -10.621 1.00 0.00 C ATOM 1133 CG ASP A 75 1.884 7.256 -11.958 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.135 8.219 -11.949 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.372 6.783 -12.970 1.00 0.00 O ATOM 0 H ASP A 75 0.304 7.138 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 75 0.692 5.196 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.297 7.364 -9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.208 6.125 -10.682 1.00 0.00 H new ATOM 1140 N GLU A 76 2.343 4.680 -8.325 1.00 0.00 N ATOM 1141 CA GLU A 76 2.987 3.633 -7.527 1.00 0.00 C ATOM 1142 C GLU A 76 1.946 2.677 -6.928 1.00 0.00 C ATOM 1143 O GLU A 76 2.289 1.605 -6.426 1.00 0.00 O ATOM 1144 CB GLU A 76 3.843 4.239 -6.410 1.00 0.00 C ATOM 1145 CG GLU A 76 3.041 5.253 -5.586 1.00 0.00 C ATOM 1146 CD GLU A 76 4.004 6.229 -4.909 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.463 7.143 -5.575 1.00 0.00 O ATOM 1148 OE2 GLU A 76 4.267 6.050 -3.732 1.00 0.00 O ATOM 0 H GLU A 76 2.338 5.604 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 76 3.636 3.067 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.210 3.446 -5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.717 4.727 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.348 5.795 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.442 4.737 -4.836 1.00 0.00 H new ATOM 1155 N PHE A 77 0.672 3.074 -7.003 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.427 2.256 -6.488 1.00 0.00 C ATOM 1157 C PHE A 77 -0.753 1.110 -7.456 1.00 0.00 C ATOM 1158 O PHE A 77 -1.122 0.014 -7.030 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.675 3.132 -6.292 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.811 2.322 -5.710 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.906 2.141 -4.323 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.776 1.762 -6.557 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.964 1.400 -3.787 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.833 1.019 -6.019 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.927 0.838 -4.634 1.00 0.00 C ATOM 0 H PHE A 77 0.377 3.959 -7.416 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.122 1.829 -5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.440 3.966 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.979 3.560 -7.247 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.163 2.573 -3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.704 1.904 -7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.038 1.261 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.576 0.585 -6.672 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.743 0.265 -4.219 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.622 1.378 -8.762 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.917 0.363 -9.781 1.00 0.00 C ATOM 1177 C LEU A 78 0.260 -0.595 -9.981 1.00 0.00 C ATOM 1178 O LEU A 78 0.065 -1.805 -10.120 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.234 1.036 -11.115 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.499 1.900 -11.130 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.250 3.153 -11.972 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.658 1.102 -11.734 1.00 0.00 C ATOM 0 H LEU A 78 -0.318 2.278 -9.134 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.777 -0.208 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.386 1.659 -11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.333 0.264 -11.878 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.752 2.190 -10.110 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.150 3.768 -11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.426 3.723 -11.542 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.997 2.862 -12.991 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.557 1.718 -11.744 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.406 0.810 -12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.836 0.209 -11.135 1.00 0.00 H new ATOM 1194 N VAL A 79 1.477 -0.044 -10.001 1.00 0.00 N ATOM 1195 CA VAL A 79 2.684 -0.864 -10.192 1.00 0.00 C ATOM 1196 C VAL A 79 2.804 -1.933 -9.103 1.00 0.00 C ATOM 1197 O VAL A 79 3.401 -2.981 -9.322 1.00 0.00 O ATOM 1198 CB VAL A 79 3.955 -0.004 -10.178 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.995 0.877 -11.429 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.980 0.880 -8.931 1.00 0.00 C ATOM 0 H VAL A 79 1.655 0.954 -9.889 1.00 0.00 H new ATOM 0 HA VAL A 79 2.585 -1.344 -11.166 1.00 0.00 H new ATOM 0 HB VAL A 79 4.825 -0.661 -10.166 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.899 1.486 -11.416 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.995 0.247 -12.318 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.120 1.526 -11.445 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.886 1.485 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.107 1.533 -8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.964 0.253 -8.040 1.00 0.00 H new ATOM 1210 N MET A 80 2.229 -1.644 -7.930 1.00 0.00 N ATOM 1211 CA MET A 80 2.259 -2.569 -6.791 1.00 0.00 C ATOM 1212 C MET A 80 1.968 -4.016 -7.209 1.00 0.00 C ATOM 1213 O MET A 80 2.527 -4.956 -6.640 1.00 0.00 O ATOM 1214 CB MET A 80 1.216 -2.149 -5.752 1.00 0.00 C ATOM 1215 CG MET A 80 1.850 -1.192 -4.741 1.00 0.00 C ATOM 1216 SD MET A 80 0.929 -1.263 -3.184 1.00 0.00 S ATOM 1217 CE MET A 80 -0.522 -0.329 -3.729 1.00 0.00 C ATOM 0 H MET A 80 1.734 -0.771 -7.744 1.00 0.00 H new ATOM 0 HA MET A 80 3.265 -2.525 -6.374 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.372 -1.666 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.825 -3.028 -5.239 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.892 -1.463 -4.572 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.844 -0.175 -5.133 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.391 -0.635 -3.147 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.345 0.737 -3.583 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.705 -0.525 -4.785 1.00 0.00 H new ATOM 1227 N MET A 81 1.077 -4.187 -8.189 1.00 0.00 N ATOM 1228 CA MET A 81 0.712 -5.531 -8.649 1.00 0.00 C ATOM 1229 C MET A 81 1.776 -6.137 -9.575 1.00 0.00 C ATOM 1230 O MET A 81 2.152 -7.300 -9.416 1.00 0.00 O ATOM 1231 CB MET A 81 -0.629 -5.495 -9.388 1.00 0.00 C ATOM 1232 CG MET A 81 -1.773 -5.595 -8.374 1.00 0.00 C ATOM 1233 SD MET A 81 -3.012 -6.775 -8.970 1.00 0.00 S ATOM 1234 CE MET A 81 -2.124 -8.288 -8.523 1.00 0.00 C ATOM 0 H MET A 81 0.601 -3.426 -8.673 1.00 0.00 H new ATOM 0 HA MET A 81 0.636 -6.158 -7.761 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.716 -4.572 -9.961 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.687 -6.318 -10.100 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.387 -5.915 -7.406 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.229 -4.616 -8.228 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.762 -9.152 -8.708 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.219 -8.370 -9.124 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.856 -8.254 -7.467 1.00 0.00 H new ATOM 1244 N VAL A 82 2.238 -5.353 -10.554 1.00 0.00 N ATOM 1245 CA VAL A 82 3.238 -5.848 -11.515 1.00 0.00 C ATOM 1246 C VAL A 82 4.659 -5.873 -10.933 1.00 0.00 C ATOM 1247 O VAL A 82 5.499 -6.655 -11.381 1.00 0.00 O ATOM 1248 CB VAL A 82 3.231 -5.002 -12.795 1.00 0.00 C ATOM 1249 CG1 VAL A 82 1.886 -5.167 -13.504 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.452 -3.524 -12.455 1.00 0.00 C ATOM 0 H VAL A 82 1.944 -4.388 -10.704 1.00 0.00 H new ATOM 0 HA VAL A 82 2.953 -6.874 -11.747 1.00 0.00 H new ATOM 0 HB VAL A 82 4.036 -5.338 -13.448 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.878 -4.567 -14.414 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.736 -6.216 -13.760 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.084 -4.836 -12.844 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.445 -2.935 -13.372 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.655 -3.179 -11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.413 -3.405 -11.955 1.00 0.00 H new ATOM 1260 N ARG A 83 4.930 -5.020 -9.939 1.00 0.00 N ATOM 1261 CA ARG A 83 6.264 -4.975 -9.324 1.00 0.00 C ATOM 1262 C ARG A 83 6.582 -6.277 -8.572 1.00 0.00 C ATOM 1263 O ARG A 83 7.743 -6.556 -8.269 1.00 0.00 O ATOM 1264 CB ARG A 83 6.375 -3.793 -8.355 1.00 0.00 C ATOM 1265 CG ARG A 83 5.410 -3.984 -7.180 1.00 0.00 C ATOM 1266 CD ARG A 83 6.202 -4.095 -5.874 1.00 0.00 C ATOM 1267 NE ARG A 83 6.284 -5.488 -5.427 1.00 0.00 N ATOM 1268 CZ ARG A 83 7.284 -5.924 -4.649 1.00 0.00 C ATOM 1269 NH1 ARG A 83 8.228 -5.106 -4.239 1.00 0.00 N ATOM 1270 NH2 ARG A 83 7.317 -7.181 -4.287 1.00 0.00 N ATOM 0 H ARG A 83 4.257 -4.361 -9.547 1.00 0.00 H new ATOM 0 HA ARG A 83 6.986 -4.853 -10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.397 -3.710 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.147 -2.863 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.717 -3.144 -7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.811 -4.882 -7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.206 -3.696 -6.018 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.726 -3.489 -5.103 1.00 0.00 H new ATOM 0 HE ARG A 83 5.559 -6.145 -5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.206 -4.124 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.982 -5.454 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.585 -7.820 -4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.075 -7.521 -3.695 1.00 0.00 H new ATOM 1284 N CYS A 84 5.543 -7.068 -8.275 1.00 0.00 N ATOM 1285 CA CYS A 84 5.729 -8.334 -7.564 1.00 0.00 C ATOM 1286 C CYS A 84 6.016 -9.481 -8.542 1.00 0.00 C ATOM 1287 O CYS A 84 6.501 -10.540 -8.139 1.00 0.00 O ATOM 1288 CB CYS A 84 4.477 -8.674 -6.751 1.00 0.00 C ATOM 1289 SG CYS A 84 4.895 -9.883 -5.469 1.00 0.00 S ATOM 0 H CYS A 84 4.575 -6.854 -8.514 1.00 0.00 H new ATOM 0 HA CYS A 84 6.583 -8.216 -6.897 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.071 -7.771 -6.295 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.704 -9.076 -7.406 1.00 0.00 H new ATOM 0 HG CYS A 84 5.737 -10.750 -5.948 1.00 0.00 H new